data_mmcif_nmr-star.dic
# version date - 2019-01-25
# The majority of the following item type definitions and descriptions for units
# have been taken from the pdbx and mmCIF dictionaries.
# The NMR-STAR dictionary has been constructed to be congruent with the pdbx
# where the data being modeled are equivalent. In these cases, where possible
# identical items have been used and the definitions for these items are
# intended to be identical.
_datablock.id mmcif_nmr-star.dic
_datablock.description
;
This data block contains the NMR-STAR dictionary.
;
_dictionary.title mmcif_nmr-star.dic
_dictionary.datablock_id mmcif_nmr-star.dic
_dictionary.version 3.2.1.18
loop_
_dictionary_history.version
_dictionary_history.update
_dictionary_history.revision
3.0.6.22 2007-01-01
;
Multiple updates to tags and categories implemented.
;
3.0.9.0 2008-06-04
;
Large number of new tags implemented.
;
3.1.1.54 2013-10-13
;
Save frames for MS, EMR, and FRET added.
Spell checking on tag descriptions carried out.
Many corrections and suggestions provided by PDBj-BMRB implemented.
;
3.1.1.55 2013-10-14
;
Category groups updated.
;
3.1.1.56 2014-10-14
;
Changed category group, and item group for X-ray_instrument to Xray_instrument
;
3.1.1.98 2015-08-19
;
Added tags for FID sampling
;
3.2.1.18 2019-01-25
;
?
;
stop_
loop_
_category_group_list.id
_category_group_list.parent_id
_category_group_list.description
'inclusive_group' .
;
Categories that belong to the NMR-STAR dictionary.
;
'deposited_data_files'
'inclusive_group'
;
Categories that capture information about the data files that are uploaded for depositions.
;
'entry_interview'
'inclusive_group'
;
Categories that record an overview of the information to be deposited by an author.
;
'study_list'
'inclusive_group'
;
Categories that describe a study of a molecular system that includes data from one or more entries.
;
'entry_information'
'inclusive_group'
;
Categories that describe an entry.
;
'citations'
'inclusive_group'
;
Categories that provide bibliographic references.
;
'chem_comp'
'inclusive_group'
;
Categories that describe chemical components of entities and molecular assemblies.
;
'entity'
'inclusive_group'
;
Categories that describe the polymer and non-polymer molecules that make up a molecular assembly.
;
'assembly'
'inclusive_group'
;
Categories that describe a molecular assembly.
;
'assembly_annotation'
'inclusive_group'
;
Categories that provide annotations for a molecular assembly.
;
'assembly_subsystems'
'inclusive_group'
;
Categories that describe subsystems of a molecular assembly.
;
'natural_source'
'inclusive_group'
;
Categories that describe the organism or other body found in nature that produces a molecular entity.
;
'experimental_source'
'inclusive_group'
;
Categories that describe the system used to produce a molecular entity for scientific experiments.
;
'sample'
'inclusive_group'
;
Categories that describe the contents and other details about the samples used in scientific experiments.
;
'sample_conditions'
'inclusive_group'
;
Categories that describe the experimental conditions used in conducting individual scientific experiments.
;
'molecule_purity'
'inclusive_group'
;
Categories that describe the measured purity of the molecular entity.
;
'software'
'inclusive_group'
;
Categories that describe computer software.
;
'method'
'inclusive_group'
;
Categories that describe software or physical methods used to produce a product.
;
'mass_spectrometer'
'inclusive_group'
;
Categories that describe a mass spectrometer.
;
'mass_spectrometer_list'
'inclusive_group'
;
Categories that describe a list of mass spectrometers and their properties.
;
'mass_spec_ref_compd'
'inclusive_group'
;
Categories that describe reference compounds used to calibrate mass spectral data.
;
'chromatographic_system'
'inclusive_group'
;
Categories that describe a chromatographic system.
;
'chromatographic_column'
'inclusive_group'
;
Categories that describe a chromatographic column.
;
'fluorescence_instrument'
'inclusive_group'
;
Categories that describe a fluorescence instrument.
;
'emr_instrument'
'inclusive_group'
;
Categories that describe an EMR instrument.
;
'xray_instrument'
'inclusive_group'
;
Categories that describe a X-ray instrument.
;
'nmr_spectrometer'
'inclusive_group'
;
Categories that describe an NMR spectrometer.
;
'nmr_spectrometer_list'
'inclusive_group'
;
Categories that define a list of NMR spectrometers and their properties.
;
'nmr_spectrometer_probe'
'inclusive_group'
;
Categories that describe an NMR spectrometer probe.
;
'nmr_spectrometer_expt_list'
'inclusive_group'
;
Categories that define a list of NMR spectrometer experiments.
;
'nmr_spectrometer_expt'
'inclusive_group'
;
Categories that describe an NMR spectrometer experiment in detail.
;
'nmr_spectral_processing'
'inclusive_group'
;
Categories that describe how the data from an NMR spectrometer experiment has been processed.
;
'experiment_list'
'inclusive_group'
;
Categories that describe a list of experiments.
;
'ms_expt'
'inclusive_group'
;
Categories that describe a mass spectroscopy experiment.
;
'fret_expt'
'inclusive_group'
;
Categories that describe a fluorescence experiment.
;
'emr_expt'
'inclusive_group'
;
Categories that describe an electron magnetic resonance experiment.
;
'saxs_expt'
'inclusive_group'
;
Categories that describe a small angle X-ray scattering experiment.
;
'computer'
'inclusive_group'
;
Categories that describe a computer.
;
'chem_shift_reference'
'inclusive_group'
;
Categories that capture information about the compounds and parameters used to reference NMR chemical shifts.
;
'assigned_chemical_shifts'
'inclusive_group'
;
Categories that capture assigned chemical shift values and links to the samples, sample conditions, NMR experiments, and other information about how the assigned chemical shifts were derived.
;
'coupling_constants'
'inclusive_group'
;
Categories that capture coupling constant values and links to the samples, sample conditions, NMR experiments, and other information about how the coupling constants were derived.
;
'theoretical_coupling_constants'
'inclusive_group'
;
Categories that capture theoretical coupling constant values and links to the software, samples, sample conditions, NMR experiments, and other information about how the theoretical coupling constants were derived.
;
'spectral_peak_list'
'inclusive_group'
;
Categories that capture the properties of NMR spectral peaks, spectral parameters, and links to the NMR experiments and other information regarding the data.
;
'resonance_linker'
'inclusive_group'
;
Categories that describe the linking of resonances to chemical spin systems and experimental results.
;
'chem_shift_isotope_effect'
'inclusive_group'
;
Categories that capture chemical shift isotope effect values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived.
;
'chem_shift_interaction_diff'
'inclusive_group'
;
Categories that capture chemical shift deviations caused by molecular interactions and links to the samples, sample conditions, NMR experiments, and other information about how the deviation values were derived.
;
'chem_shift_anisotropy'
'inclusive_group'
;
Categories that capture chemical shift anisotropy values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived.
;
'theoretical_chem_shifts'
'inclusive_group'
;
Categories that capture theoretical chemical shift values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived.
;
'chem_shifts_calc_type'
'inclusive_group'
;
Categories that define the type of calculation used to generate a list of theoretical chemical shifts for a molecule.
;
'rdcs'
'inclusive_group'
;
Categories that capture residual dipolar coupling values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived.
;
'dipolar_couplings'
'inclusive_group'
;
Categories that capture dipolar coupling values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived.
;
'spectral_density_values'
'inclusive_group'
;
Categories that capture spectral density values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived.
;
'other_data_types'
'inclusive_group'
;
Categories that capture the values for other kinds of data not modeled in specific category groups in the dictionary and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived.
;
'chemical_rates'
'inclusive_group'
;
Categories that capture chemical rate data and links to the samples, sample conditions, NMR experiments, and other information about how the data were collected and analyzed.
;
'h_exch_rates'
'inclusive_group'
;
Categories that capture hydrogen exchange rate data and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived.
;
'h_exch_protection_factors'
'inclusive_group'
;
Categories that capture hydrogen exchange protection factor data and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived.
;
'homonucl_noes'
'inclusive_group'
;
Categories that capture homonuclear NOE values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived.
;
'heteronucl_noes'
'inclusive_group'
;
Categories that capture heteronuclear NOE values and links to the samples, sample conditions, NMR experiments, and other information about how the values were derived.
;
'theoretical_heteronucl_noes'
'inclusive_group'
;
Categories that capture theoretical heteronuclear NOE values and links to the software, samples, sample conditions, NMR experiments, and other information about how the values were derived.
;
'heteronucl_t1_relaxation'
'inclusive_group'
;
Categories that capture heteronuclear T1 relaxation values and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived.
;
'theoretical_heteronucl_t1_relaxation'
'inclusive_group'
;
Categories that capture theoretical heteronuclear T1 relaxation values and links to the software, samples, sample conditions, NMR experiments, and other information about how the data were derived.
;
'heteronucl_t1rho_relaxation'
'inclusive_group'
;
Categories that capture heteronuclear T1rho relaxation values and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived.
;
'heteronucl_t2_relaxation'
'inclusive_group'
;
Categories that capture heteronuclear T2 relaxation values and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived.
;
'theoretical_heteronucl_t2_relaxation'
'inclusive_group'
;
Categories that capture theoretical heteronuclear T2 relaxation values and links to the software, samples, sample conditions, NMR experiments, and other information about how the data were derived.
;
'auto_relaxation'
'inclusive_group'
;
Categories that capture auto relaxation data and links to the samples, sample conditions, NMR experiments, and other information about how the data were collected and analyzed.
;
'theoretical_auto_relaxation'
'inclusive_group'
;
Categories that capture theoretical auto relaxation data and links to the software, samples, sample conditions, NMR experiments, and other information about how the data were collected and analyzed.
;
'dipole_dipole_relaxation'
'inclusive_group'
;
Categories that capture dipole-dipole relaxation values and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived.
;
'dipole_dipole_cross_correlations'
'inclusive_group'
;
Categories that capture dipole-dipole cross correlation data and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived.
;
'theoretical_dipole_dipole_cross_correlations'
'inclusive_group'
;
Categories that capture theoretical dipole-dipole cross correlation data and links to the software, samples, sample conditions, NMR experiments, and other information about how the data were derived.
;
'dipole_csa_cross_correlations'
'inclusive_group'
;
Categories that capture dipole-CSA cross correlation data and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived.
;
'order_parameters'
'inclusive_group'
;
Categories that capture order parameter values and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived.
;
'ph_titration'
'inclusive_group'
;
Categories that capture the pKa or pHmid values derived from a pH titration experiment and links to the experimental details.
;
'ph_param_list'
'inclusive_group'
;
Categories that capture the NMR spectral parameters derived from a pH titration experiment.
;
'd_h_fractionation_factors'
'inclusive_group'
;
Categories that capture deuterium-hydrogen fractionation factor values and links to the samples, sample conditions, NMR experiments, and other information about how the data were derived.
;
'binding_data'
'inclusive_group'
;
Categories that capture the binding data derived from a chemical binding experiment and links to the experimental details.
;
'binding_param_list'
'inclusive_group'
;
Categories that capture the NMR spectral parameters derived from a chemical binding experiment.
;
'deduced_secd_struct_features'
'inclusive_group'
;
Categories that capture secondary structure features deduced from experimental data, but not derived from a three-dimensional structure and links to the data used to deduce the secondary structure features.
;
'deduced_hydrogen_bonds'
'inclusive_group'
;
Categories that capture hydrogen bonds information deduced from experimental data, but not derived from a three-dimensional structure and links to the data used to deduce the hydrogen bonds.
;
'conformer_statistics'
'inclusive_group'
;
Categories that capture statistics derived from the three-dimensional conformers calculated for a biomolecule.
;
'constraint_statistics'
'inclusive_group'
;
Categories that capture statistics derived from the constraints used to calculate the three-dimension conformers for a biomolecule and the constraint violations.
;
'representative_conformer'
'inclusive_group'
;
Categories that capture the atomic coordinates for a representative conformer of a biomolecular system and links to the experimental conditions and data used to derive the conformer.
;
'conformer_family_coord_set'
'inclusive_group'
;
Categories that capture the atomic coordinates for a family of conformers for a biomolecular system and links to the experimental conditions and data used to calculate the conformer family.
;
'force_constants'
'inclusive_group'
;
Categories that describe the values for the force constants used in calculating a family of conformers for a biomolecular system.
;
'angular_order_parameters'
'inclusive_group'
;
Categories that capture a set of angular order parameters calculated from a family of conformers.
;
'tertiary_struct_elements'
'inclusive_group'
;
Categories that describe the tertiary structure elements found in the conformers calculated for a biomolecular system.
;
'structure_annotation'
'inclusive_group'
;
Categories that describe annotations derived from PDB structure entries related to the BMRB entry and extracted from an external database or calculated by BMRB.
;
'secondary_structs'
'inclusive_group'
;
Categories that describe the secondary structure elements found in the conformers calculated for a biomolecular system.
;
'bond_annotation'
'inclusive_group'
;
Categories that capture annotations for the bonds found in the conformers calculated for a biomolecular system.
;
'structure_interactions'
'inclusive_group'
;
Categories that describe the interactions between molecules in a biomolecular system that have been found through the analysis of the calculated conformers.
;
'other_struct_features'
'inclusive_group'
;
Categories that provide a means for describing other structure features not specifically defined in other category groups.
;
'tensor'
'inclusive_group'
;
Categories that describe the chemical shielding tensors for a theoretical chemical shift calculation.
;
'interatomic_distance'
'inclusive_group'
;
Categories that describe a set of interatomic distances in a molecular assembly.
;
'general_distance_constraints'
'inclusive_group'
;
Categories that capture the distance constraints in a simple table format used to calculate one or more conformers for a biomolecular system.
;
'distance_constraints'
'inclusive_group'
;
Categories that capture the distance constraints used to calculate one or more conformers for a biomolecular system.
;
'floating_chiral_stereo_assign'
'inclusive_group'
;
Categories that capture the floating chirality stereo assignments used in calculating the conformers for a biomolecular system.
;
'torsion_angle_constraints'
'inclusive_group'
;
Categories that capture the torsion angle distance constraints used to calculate one or more conformers for a biomolecular system.
;
'rdc_constraints'
'inclusive_group'
;
Categories that capture the residual dipolar coupling constraints used to calculate one or more conformers for a biomolecular system.
;
'j_three_bond_constraints'
'inclusive_group'
;
Categories that capture the three bond scalar coupling constraints used to calculate one or more conformers for a biomolecular system.
;
'ca_cb_chem_shift_constraints'
'inclusive_group'
;
Categories that capture the protein CA and CB chemical shift constraints used to calculate one or more conformers for a biomolecular system.
;
'h_chem_shift_constraints'
'inclusive_group'
;
Categories that capture the proton chemical shift constraints used to calculate one or more conformers for a biomolecular system.
;
'saxs_constraints'
'inclusive_group'
;
Categories that capture the SAXS constraints used to calculate one or more conformers for a biomolecular system.
;
'other_constraints'
'inclusive_group'
;
Categories that capture values for other kinds of constraints not specifically defined in other category groups used to calculate one or more conformers for a biomolecular system.
;
'org_constr_file_comment'
'inclusive_group'
;
Categories that capture the comments extracted from one or more original constraint files.
;
'ms_mz_data'
'inclusive_group'
;
Categories that capture the MZ data from a mass spectrometry experiment.
;
'ms_chromatogram'
'inclusive_group'
;
Categories that capture the data from a MS chromatogram.
;
# BMRB/XML: Chem shift perturbation
'chem_shift_perturbation'
'inclusive_group'
;
Categories that capture chemical shift perturbation data for molecular interaction observations.
;
# BMRB/XML: Peak constraint links
'peak_constraint_links'
'inclusive_group'
;
Categories that capture linked spectral peak and constraint.
;
# BMRB/XML: Software specific
'software_specific'
'inclusive_group'
;
Categories that capture software specific information.
;
# BMRB/XML: Applied software
'applied_software'
'inclusive_group'
;
Categories that capture information of applied software.
;
# BMRB/XML: Applied software history
'applied_software_history'
'inclusive_group'
;
Categories that capture history of applied software.
;
# BMRB/XML: LACS extension
'lacs_plot'
'inclusive_group'
;
Categories that capture LACS (Linear Analysis of Chemical Shifts) validation reports on assigned chemical shifts calculated by BMRB.
;
# BMRB/XML: PB extension
'pb_list'
'inclusive_group'
;
Categories that capture PB (Protein Blocks) codes calculated from associated PDB coordinates.
;
# BMRB/XML: CS completeness
'chem_shift_completeness_list'
'inclusive_group'
;
Categories that capture completeness of assigned chemical shifts calculated by PDBj-BMRB.
;
stop_
####################
## ITEM_TYPE_LIST ##
####################
#
#
# The regular expressions defined here are not compliant
# with the POSIX 1003.2 standard as they include the
# '\n' and '\t' special characters. These regular expressions
# have been tested using the version 0.12 of Richard Stallman's
# GNU regular expression library in POSIX mode.
#
#
# For some data items, a standard syntax is assumed. The syntax is
# described for each data item in the dictionary, but is summarized here:
#
# Names: The family name(s) followed by a comma, precedes the first
# name(s) or initial(s).
#
# Telephone numbers:
# The international code is given in brackets and any extension
# number is preceded by 'ext'.
#
# Dates: In the form yyyy-mm-dd.
#
##############################################################################
loop_
_item_type_list.code
_item_type_list.primitive_code
_item_type_list.construct
_item_type_list.detail
code char
'[_,.;:"&<>()/\{}'`~!@#$%A-Za-z0-9*|+-]*'
; code item types/single words ...
;
ucode uchar
'[_,.;:"&<>()/\{}'`~!@#$%A-Za-z0-9*|+-]*'
; code item types/single words (case insensitive) ...
;
line char
'[][ \t_(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*'
; char item types / multi-word items ...
;
uline uchar
'[][ \t_(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*'
; char item types / multi-word items (case insensitive)...
;
text char
'[][ \n\t()_,.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*'
; text item types / multi-line text ...
;
int numb
'-?[0-9]+'
; int item types are the subset of numbers that are the negative
or positive integers.
;
float numb
'-?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)?'
; int item types are the subset of numbers that are the floating
numbers.
;
name uchar
'_[_A-Za-z0-9]+\.[][_A-Za-z0-9%-]+'
; name item types take the form...
;
idname uchar
'[_A-Za-z0-9]+'
; idname item types take the form...
;
any char
'.*'
; A catch all for items that may take any form...
;
yyyy-mm-dd char
'[0-9]?[0-9]?[0-9][0-9]-[0-9]?[0-9]-[0-9][0-9]'
;
Standard format for CIF dates.
;
uchar3 uchar
'[+]?[A-Za-z0-9]?[A-Za-z0-9][A-Za-z0-9]'
;
data item for 3 character codes
;
uchar1 uchar
'[+]?[A-Za-z0-9]'
;
data item for 1 character codes
;
yes_no char
'(yes)|(no)'
;
data item for boolean codes that have values of 'yes' or 'no'
;
symop char
'([1-9]|[1-9][0-9]|1[0-8][0-9]|19[0-2])(_[1-9][1-9][1-9])?'
; symop item types take the form n_klm, where n refers to the
symmetry operation that is applied to the coordinates in the
ATOM_SITE category identified by _atom_site_label. It must
match a number given in _symmetry_equiv_pos_site_id.
k, l, and m refer to the translations that are subsequently
applied to the symmetry transformed coordinates to generate
the atom used. These translations (x,y,z) are related to
(k,l,m) by
k = 5 + x
l = 5 + y
m = 5 + z
By adding 5 to the translations, the use of negative numbers
is avoided.
;
atcode char
'[][ _(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*'
; Character data type for atom names ...
;
yyyy-mm-dd:hh:mm char
'[0-9]?[0-9]?[0-9][0-9]-[0-9]?[0-9](-[0-9]?[0-9])?(:[0-9]?[0-9]:[0-9][0-9])?'
;
Standard format for CIF dates with optional time stamp.
;
fax uchar
'[_,.;:"&<>/\{}'`~!@#$%A-Za-z0-9*|+-]*'
; code item types/single words (case insensitive) ...
;
phone uchar
'[_,.;:"&<>/\{}'`~!@#$%A-Za-z0-9*|+-]*'
; code item types/single words (case insensitive) ...
;
email uchar
'[_,.;:"&<>/\{}'`~!@#$%A-Za-z0-9*|+-]*'
; code item types/single words (case insensitive) ...
;
int-range numb
'-?[0-9]+(--?[0-9]+)?'
; int item types are the subset of numbers that are the negative
or positive integers with optional range.
;
float-range numb
'-?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)?(--?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)?)?'
; int item types are the subset of numbers that are the floating
numbers.
;
#
binary char
;\n--CIF-BINARY-FORMAT-SECTION--\n\
[][ \n\t()_,.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*\
\n--CIF-BINARY-FORMAT-SECTION----
;
; binary items are presented as MIME-like ascii-encoded
sections in an imgCIF. In a CBF, raw octet streams
are used to convey the same information.
;
# NMR-STAR additions
framecode char
'[.;:"&<>(){}'`~!$%A-Za-z0-9*|+-][_.;:"&<>(){}'`~!$%A-Za-z0-9*|+-]*'
; A value that points to a saveframe.
;
stop_
#####################
## ITEM_UNITS_LIST ##
#####################
loop_
_item_units_list.code
_item_units_list.detail
#
'metres' 'metres'
'centimetres' 'centimetres (meters * 10^( -2))'
'millimetres' 'millimetres (meters * 10^( -3))'
'nanometres' 'nanometres (meters * 10^( -9))'
'angstroms' 'angstroms (meters * 10^(-10))'
'picometres' 'picometres (meters * 10^(-12))'
'femtometres' 'femtometres (meters * 10^(-15))'
#
'reciprocal_centimetres' 'reciprocal centimetres (meters * 10^( -2)^-1)'
'reciprocal_millimetres' 'reciprocal millimetres (meters * 10^( -3)^-1)'
'reciprocal_nanometres' 'reciprocal nanometres (meters * 10^( -9)^-1)'
'reciprocal_angstroms' 'reciprocal angstroms (meters * 10^(-10)^-1)'
'reciprocal_picometres' 'reciprocal picometres (meters * 10^(-12)^-1)'
#
'nanometres_squared' 'nanometres squared (meters * 10^( -9))^2'
'angstroms_squared' 'angstroms squared (meters * 10^(-10))^2'
'8pi2_angstroms_squared' '8pi^2 * angstroms squared (meters * 10^(-10))^2'
'picometres_squared' 'picometres squared (meters * 10^(-12))^2'
#
'nanometres_cubed' 'nanometres cubed (meters * 10^( -9))^3'
'angstroms_cubed' 'angstroms cubed (meters * 10^(-10))^3'
'picometres_cubed' 'picometres cubed (meters * 10^(-12))^3'
#
'kilopascals' 'kilopascals'
'gigapascals' 'gigapascals'
#
'hours' 'hours'
'minutes' 'minutes'
'seconds' 'seconds'
'microseconds' 'microseconds'
#
'degrees' 'degrees (of arc)'
#
'degrees_per_minute' 'degrees (of arc) per minute'
#
'celsius' 'degrees (of temperature) Celsius'
'kelvins' 'degrees (of temperature) Kelvin'
#
'electrons' 'electrons'
#
'electrons_squared' 'electrons squared'
#
'electrons_per_nanometres_cubed'
; electrons per nanometres cubed (meters * 10^( -9))^3
;
'electrons_per_angstroms_cubed'
; electrons per angstroms cubed (meters * 10^(-10))^3
;
'electrons_per_picometres_cubed'
; electrons per picometres cubed (meters * 10^(-12))^3
;
'kilowatts' 'kilowatts'
'milliamperes' 'milliamperes'
'kilovolts' 'kilovolts'
#
'arbitrary'
; arbitrary system of units.
;
#
'angstroms_degrees' 'angstroms * degrees'
#
'degrees_squared' 'degrees squared'
#
'mg_per_ml' 'milliliter per milligram'
#
'ml_per_min' 'milliliter per minute'
#
'milliliters' 'liter / 1000'
#
'milligrams' 'grams / 1000'
#
'megadaltons' 'megadaltons'
'microns_squared' 'microns squared'
'microns' 'microns'
# 'millimeters' 'millimeters'
'electrons_angstrom_squared' 'electrons square angstrom'
'electron_volts' 'electron volts'
# 'mg/ml' 'mg per milliliter'
'millimolar' 'millimolar'
'megagrams_per_cubic_metre' 'megagrams per cubic metre'
'pixels_per_millimetre' 'pixels per millimetre'
'counts' 'counts'
'counts_per_photon' 'counts per photon'
#
loop_
_item_units_conversion.from_code
_item_units_conversion.to_code
_item_units_conversion.operator
_item_units_conversion.factor
###
'metres' 'centimetres' '*' 1.0E+02
'metres' 'millimetres' '*' 1.0E+03
'metres' 'nanometres' '*' 1.0E+09
'metres' 'angstroms' '*' 1.0E+10
'metres' 'picometres' '*' 1.0E+12
'metres' 'femtometres' '*' 1.0E+15
'centimetres' 'millimetres' '*' 1.0E+01
'centimetres' 'nanometres' '*' 1.0E+07
'centimetres' 'angstroms' '*' 1.0E+08
'centimetres' 'picometres' '*' 1.0E+10
'centimetres' 'femtometres' '*' 1.0E+13
#
'millimetres' 'centimetres' '*' 1.0E-01
'millimetres' 'nanometres' '*' 1.0E+06
'millimetres' 'angstroms' '*' 1.0E+07
'millimetres' 'picometres' '*' 1.0E+09
'millimetres' 'femtometres' '*' 1.0E+12
#
'nanometres' 'centimetres' '*' 1.0E-07
'nanometres' 'millimetres' '*' 1.0E-06
'nanometres' 'angstroms' '*' 1.0E+01
'nanometres' 'picometres' '*' 1.0E+03
'nanometres' 'femtometres' '*' 1.0E+06
#
'angstroms' 'centimetres' '*' 1.0E-08
'angstroms' 'millimetres' '*' 1.0E-07
'angstroms' 'nanometres' '*' 1.0E-01
'angstroms' 'picometres' '*' 1.0E+02
'angstroms' 'femtometres' '*' 1.0E+05
#
'picometres' 'centimetres' '*' 1.0E-10
'picometres' 'millimetres' '*' 1.0E-09
'picometres' 'nanometres' '*' 1.0E-03
'picometres' 'angstroms' '*' 1.0E-02
'picometres' 'femtometres' '*' 1.0E+03
#
'femtometres' 'centimetres' '*' 1.0E-13
'femtometres' 'millimetres' '*' 1.0E-12
'femtometres' 'nanometres' '*' 1.0E-06
'femtometres' 'angstroms' '*' 1.0E-05
'femtometres' 'picometres' '*' 1.0E-03
###
'reciprocal_centimetres' 'reciprocal_millimetres' '*' 1.0E-01
'reciprocal_centimetres' 'reciprocal_nanometres' '*' 1.0E-07
'reciprocal_centimetres' 'reciprocal_angstroms' '*' 1.0E-08
'reciprocal_centimetres' 'reciprocal_picometres' '*' 1.0E-10
#
'reciprocal_millimetres' 'reciprocal_centimetres' '*' 1.0E+01
'reciprocal_millimetres' 'reciprocal_nanometres' '*' 1.0E-06
'reciprocal_millimetres' 'reciprocal_angstroms' '*' 1.0E-07
'reciprocal_millimetres' 'reciprocal_picometres' '*' 1.0E-09
#
'reciprocal_nanometres' 'reciprocal_centimetres' '*' 1.0E+07
'reciprocal_nanometres' 'reciprocal_millimetres' '*' 1.0E+06
'reciprocal_nanometres' 'reciprocal_angstroms' '*' 1.0E-01
'reciprocal_nanometres' 'reciprocal_picometres' '*' 1.0E-03
#
'reciprocal_angstroms' 'reciprocal_centimetres' '*' 1.0E+08
'reciprocal_angstroms' 'reciprocal_millimetres' '*' 1.0E+07
'reciprocal_angstroms' 'reciprocal_nanometres' '*' 1.0E+01
'reciprocal_angstroms' 'reciprocal_picometres' '*' 1.0E-02
#
'reciprocal_picometres' 'reciprocal_centimetres' '*' 1.0E+10
'reciprocal_picometres' 'reciprocal_millimetres' '*' 1.0E+09
'reciprocal_picometres' 'reciprocal_nanometres' '*' 1.0E+03
'reciprocal_picometres' 'reciprocal_angstroms' '*' 1.0E+01
###
'nanometres_squared' 'angstroms_squared' '*' 1.0E+02
'nanometres_squared' 'picometres_squared' '*' 1.0E+06
#
'angstroms_squared' 'nanometres_squared' '*' 1.0E-02
'angstroms_squared' 'picometres_squared' '*' 1.0E+04
'angstroms_squared' '8pi2_angstroms_squared' '*' 78.9568
#
'picometres_squared' 'nanometres_squared' '*' 1.0E-06
'picometres_squared' 'angstroms_squared' '*' 1.0E-04
###
'nanometres_cubed' 'angstroms_cubed' '*' 1.0E+03
'nanometres_cubed' 'picometres_cubed' '*' 1.0E+09
#
'angstroms_cubed' 'nanometres_cubed' '*' 1.0E-03
'angstroms_cubed' 'picometres_cubed' '*' 1.0E+06
#
'picometres_cubed' 'nanometres_cubed' '*' 1.0E-09
'picometres_cubed' 'angstroms_cubed' '*' 1.0E-06
###
'kilopascals' 'gigapascals' '*' 1.0E-06
'gigapascals' 'kilopascals' '*' 1.0E+06
###
'hours' 'minutes' '*' 6.0E+01
'hours' 'seconds' '*' 3.6E+03
'hours' 'microseconds' '*' 3.6E+09
#
'minutes' 'hours' '/' 6.0E+01
'minutes' 'seconds' '*' 6.0E+01
'minutes' 'microseconds' '*' 6.0E+07
#
'seconds' 'hours' '/' 3.6E+03
'seconds' 'minutes' '/' 6.0E+01
'seconds' 'microseconds' '*' 1.0E+06
#
'microseconds' 'hours' '/' 3.6E+09
'microseconds' 'minutes' '/' 6.0E+07
'microseconds' 'seconds' '/' 1.0E+06
###
'celsius' 'kelvins' '-' 273.0
'kelvins' 'celsius' '+' 273.0
###
'electrons_per_nanometres_cubed'
'electrons_per_angstroms_cubed' '*' 1.0E-03
'electrons_per_nanometres_cubed'
'electrons_per_picometres_cubed' '*' 1.0E-09
#
'electrons_per_angstroms_cubed'
'electrons_per_nanometres_cubed' '*' 1.0E+03
'electrons_per_angstroms_cubed'
'electrons_per_picometres_cubed' '*' 1.0E-06
#
'electrons_per_picometres_cubed'
'electrons_per_nanometres_cubed' '*' 1.0E+09
'electrons_per_picometres_cubed'
'electrons_per_angstroms_cubed' '*' 1.0E+06
###
stop_
save_study_list
_category.description
;
Items in the study_list category define the save frame for the study description.
;
_category.id 'study_list'
_category.mandatory_code yes
loop_
_category_key.name
'_study_list.entry_id'
'_study_list.id'
stop_
loop_
_category_group.id
'inclusive_group'
'study_list'
stop_
save_
save__study_list.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_study_list.sf_category'
_item.category_id 'study_list'
_item.mandatory_code yes
_item_type.code 'code'
loop_
_item_examples.case
;
study
;
stop_
save_
save__study_list.sf_framecode
_item_description.description
;
Character string that is unique to the saveframe within the data block
defined by a specific entry. The character string names the saveframe and may be
used to reference or to point to the saveframe later in the data block.
;
_item.name '_study_list.sf_framecode'
_item.category_id 'study_list'
_item.mandatory_code yes
_item_type.code 'framecode'
loop_
_item_examples.case
;
study
;
stop_
save_
save__study_list.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_study_list.entry_id'
_item.category_id 'study_list'
_item.mandatory_code yes
_item_type.code 'code'
loop_
_item_examples.case
;
4567
;
stop_
save_
save__study_list.id
_item_description.description
;
Unique value identifying this saveframe of category study_list within an entry.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_study_list.id' 'study_list' yes
'_study.study_list_id' 'study' yes
'_study_keyword.study_list_id' 'study_keyword' yes
'_study_entry_list.study_list_id' 'study_entry_list' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_study.study_list_id' '_study_list.id'
'_study_keyword.study_list_id' '_study_list.id'
'_study_entry_list.study_list_id' '_study_list.id'
stop_
_item_type.code 'int'
loop_
_item_examples.case
;
1
;
stop_
save_
save_study
_category.description
;
Items in the study category define the study of which the entry is a member.
;
_category.id 'study'
_category.mandatory_code yes
loop_
_category_key.name
'_study.id'
'_study.entry_id'
'_study.study_list_id'
stop_
loop_
_category_group.id
'inclusive_group'
'study_list'
stop_
save_
save__study.id
_item_description.description
;
Unique code that identifies a specific study.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_study.id' 'study' yes
'_study_keyword.study_id' 'study_keyword' yes
'_study_entry_list.study_id' 'study_entry_list' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_study_keyword.study_id' '_study.id'
'_study_entry_list.study_id' '_study.id'
stop_
_item_type.code 'int'
loop_
_item_examples.case
;
1
;
stop_
save_
save__study.name
_item_description.description
;
Descriptive name given to a 'study' where a study is a collection of entries
containing data for a set of related molecular systems or for a single molecular
system but published in more than one citation (i.e. chemical shifts in one
publication and atomic coordinates in another and relaxation studies in a third).
;
_item.name '_study.name'
_item.category_id 'study'
_item.mandatory_code yes
_item_type.code 'text'
loop_
_item_examples.case
;
Investigation of cytochrome b in the molten globule state
;
stop_
save_
save__study.type
_item_description.description
;
A brief phrase that describes the study that was conducted. An enumerated
list of types will be provided but an author will be able to provide their own
description if none of the enumerated values are appropriate.
;
_item.name '_study.type'
_item.category_id 'study'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
'Structure analysis' ?
'Mutant comparison' ?
'Interactions with different ligands' ?
'Chemical shift mapping' ?
'NMR signal assignment' ?
'Protein-protein interaction' ?
'Protein-ligand interaction' ?
'Structural and dynamics analysis' ?
'Stoichiometry problems' ?
'Dynamics analysis' ?
'pH titration' ?
stop_
loop_
_item_examples.case
;
structure study
;
stop_
save_
save__study.details
_item_description.description
;
Text information relevant to the study are entered as a value for this
tag. This tag is often used to include information that cannot be associated with
a specific tag in the saveframe but is important for the entry. The information
entered must supplement information already present.
;
_item.name '_study.details'
_item.category_id 'study'
_item.mandatory_code no
_item_type.code 'text'
loop_
_item_examples.case
;
The data from the entries that make up this study were used to determine the structure and dynamics of ribonuclease T1.
;
stop_
save_
save__study.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_study.entry_id'
_item.category_id 'study'
_item.mandatory_code yes
_item_type.code 'code'
loop_
_item_examples.case
;
4567
;
stop_
save_
save__study.study_list_id
_item_description.description
;
Pointer to '_Study_list.ID'
;
_item.name '_study.study_list_id'
_item.category_id 'study'
_item.mandatory_code yes
_item_type.code 'int'
loop_
_item_examples.case
;
1
;
stop_
save_
save_study_keyword
_category.description
;
Items in the study_keyword category capture keywords that describe a study of a biomolecular system.
;
_category.id 'study_keyword'
_category.mandatory_code yes
loop_
_category_key.name
'_study_keyword.study_id'
'_study_keyword.keyword'
'_study_keyword.entry_id'
'_study_keyword.study_list_id'
stop_
loop_
_category_group.id
'inclusive_group'
'study_list'
stop_
save_
save__study_keyword.study_id
_item_description.description
;
Pointer to '_Study.ID'
;
_item.name '_study_keyword.study_id'
_item.category_id 'study_keyword'
_item.mandatory_code yes
_item_type.code 'int'
loop_
_item_examples.case
;
21
;
stop_
save_
save__study_keyword.keyword
_item_description.description
;
A word or brief phrase that can be used to describe or classify the study.
;
_item.name '_study_keyword.keyword'
_item.category_id 'study_keyword'
_item.mandatory_code yes
_item_type.code 'line'
loop_
_item_examples.case
;
NMR structure
;
stop_
save_
save__study_keyword.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_study_keyword.entry_id'
_item.category_id 'study_keyword'
_item.mandatory_code yes
_item_type.code 'code'
loop_
_item_examples.case
;
4567
;
stop_
save_
save__study_keyword.study_list_id
_item_description.description
;
Pointer to '_Study_list.ID'
;
_item.name '_study_keyword.study_list_id'
_item.category_id 'study_keyword'
_item.mandatory_code yes
_item_type.code 'int'
loop_
_item_examples.case
;
1
;
stop_
save_
save_study_entry_list
_category.description
;
Items in the study_entry_list category define a list of entries that together represent a study of a biomolecular system.
;
_category.id 'study_entry_list'
_category.mandatory_code yes
loop_
_category_key.name
'_study_entry_list.study_id'
'_study_entry_list.bmrb_accession_code'
'_study_entry_list.entry_id'
'_study_entry_list.study_list_id'
stop_
loop_
_category_group.id
'inclusive_group'
'study_list'
stop_
save_
save__study_entry_list.study_id
_item_description.description
;
Pointer to '_Study.ID' not within the entry but across the database.
;
_item.name '_study_entry_list.study_id'
_item.category_id 'study_entry_list'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__study_entry_list.bmrb_accession_code
_item_description.description
;
BMRB accession number for an entry that is a member of the study.
;
_item.name '_study_entry_list.bmrb_accession_code'
_item.category_id 'study_entry_list'
_item.mandatory_code yes
_item_type.code 'code'
loop_
_item_examples.case
;
4398
;
stop_
save_
save__study_entry_list.bmrb_entry_description
_item_description.description
;
A keyword defining the relationship between the entry and the study.
;
_item.name '_study_entry_list.bmrb_entry_description'
_item.category_id 'study_entry_list'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
Assigned chemical shift entry
;
stop_
save_
save__study_entry_list.details
_item_description.description
;
Text providing additional information describing the relationship between
the entry and the study.
;
_item.name '_study_entry_list.details'
_item.category_id 'study_entry_list'
_item.mandatory_code no
_item_type.code 'text'
loop_
_item_examples.case
;
Complete 13C 15N and 1H chemical shift assignments.
;
stop_
save_
save__study_entry_list.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_study_entry_list.entry_id'
_item.category_id 'study_entry_list'
_item.mandatory_code yes
_item_type.code 'code'
loop_
_item_examples.case
;
4567
;
stop_
save_
save__study_entry_list.study_list_id
_item_description.description
;
Pointer to '_Study_list.ID'
;
_item.name '_study_entry_list.study_list_id'
_item.category_id 'study_entry_list'
_item.mandatory_code yes
_item_type.code 'int'
loop_
_item_examples.case
;
1
;
stop_
save_
save_entry
_category.description
;
Items in the entry category describe an entry.
;
_category.id 'entry'
_category.mandatory_code yes
loop_
_category_key.name
'_entry.id'
stop_
loop_
_category_group.id
'inclusive_group'
'entry_information'
stop_
save_
save__entry.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_entry.sf_category'
_item.category_id 'entry'
_item.mandatory_code yes
_item_type.code 'code'
loop_
_item_examples.case
;
entry_information
;
stop_
save_
save__entry.sf_framecode
_item_description.description
;
STAR framecode for this saveframe. The value is defined as 'entry_information'
for the entry information saveframe in each entry.
;
_item.name '_entry.sf_framecode'
_item.category_id 'entry'
_item.mandatory_code yes
_item_type.code 'framecode'
loop_
_item_examples.case
;
entry_information
;
stop_
save_
save__entry.id
_item_description.description
;
BMRB accession number for this entry
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_entry.id' 'entry' yes
'_study_list.entry_id' 'study_list' yes
'_entry_experimental_methods.entry_id' 'entry_experimental_methods' yes
'_entry_author.entry_id' 'entry_author' yes
'_sg_project.entry_id' 'sg_project' yes
'_entry_src.entry_id' 'entry_src' yes
'_struct_keywords.entry_id' 'struct_keywords' yes
'_data_set.entry_id' 'data_set' yes
'_datum.entry_id' 'datum' yes
'_release.entry_id' 'release' yes
'_related_entries.entry_id' 'related_entries' yes
'_matched_entries.entry_id' 'matched_entries' yes
'_auxiliary_files.entry_id' 'auxiliary_files' yes
'_citation.entry_id' 'citation' yes
'_assembly.entry_id' 'assembly' yes
'_assembly_annotation_list.entry_id' 'assembly_annotation_list' yes
'_assembly_subsystem.entry_id' 'assembly_subsystem' yes
'_entity.entry_id' 'entity' yes
'_entity_natural_src_list.entry_id' 'entity_natural_src_list' yes
'_entity_natural_src.entry_id' 'entity_natural_src' yes
'_entity_experimental_src_list.entry_id' 'entity_experimental_src_list' yes
'_chem_comp.entry_id' 'chem_comp' yes
'_chem_comp_atom.entry_id' 'chem_comp_atom' yes
'_sample.entry_id' 'sample' yes
'_sample_condition_list.entry_id' 'sample_condition_list' yes
'_entity_purity_list.entry_id' 'entity_purity_list' yes
'_software.entry_id' 'software' yes
'_method.entry_id' 'method' yes
'_mass_spec.entry_id' 'mass_spec' yes
'_mass_spectrometer_list.entry_id' 'mass_spectrometer_list' yes
'_mass_spec_ref_compd_set.entry_id' 'mass_spec_ref_compd_set' yes
'_chromatographic_system.entry_id' 'chromatographic_system' yes
'_chromatographic_column.entry_id' 'chromatographic_column' yes
'_fluorescence_instrument.entry_id' 'fluorescence_instrument' yes
'_emr_instrument.entry_id' 'emr_instrument' yes
'_xray_instrument.entry_id' 'xray_instrument' yes
'_nmr_spectrometer.entry_id' 'nmr_spectrometer' yes
'_nmr_spectrometer_list.entry_id' 'nmr_spectrometer_list' yes
'_nmr_spectrometer_probe.entry_id' 'nmr_spectrometer_probe' yes
'_experiment_list.entry_id' 'experiment_list' yes
'_nmr_spec_expt.entry_id' 'nmr_spec_expt' yes
'_nmr_spectral_processing.entry_id' 'nmr_spectral_processing' yes
'_ms_expt.entry_id' 'ms_expt' yes
'_ms_expt_param.entry_id' 'ms_expt_param' yes
'_ms_expt_software.entry_id' 'ms_expt_software' yes
'_computer.entry_id' 'computer' yes
'_chem_shift_reference.entry_id' 'chem_shift_reference' yes
'_assigned_chem_shift_list.entry_id' 'assigned_chem_shift_list' yes
'_chem_shifts_calc_type.entry_id' 'chem_shifts_calc_type' yes
'_theoretical_chem_shift_list.entry_id' 'theoretical_chem_shift_list' yes
'_theoretical_chem_shift.entry_id' 'theoretical_chem_shift' yes
'_coupling_constant_list.entry_id' 'coupling_constant_list' yes
'_theoretical_coupling_constant_list.entry_id' 'theoretical_coupling_constant_list' yes
'_spectral_peak_list.entry_id' 'spectral_peak_list' yes
'_resonance_linker_list.entry_id' 'resonance_linker_list' yes
'_resonance_assignment.entry_id' 'resonance_assignment' yes
'_chem_shift_isotope_effect_list.entry_id' 'chem_shift_isotope_effect_list' yes
'_chem_shift_perturbation_list.entry_id' 'chem_shift_perturbation_list' yes
'_chem_shift_anisotropy.entry_id' 'chem_shift_anisotropy' yes
'_rdc_list.entry_id' 'rdc_list' yes
'_rdc_experiment.entry_id' 'rdc_experiment' yes
'_rdc_software.entry_id' 'rdc_software' yes
'_rdc.entry_id' 'rdc' yes
'_dipolar_coupling_list.entry_id' 'dipolar_coupling_list' yes
'_dipolar_coupling_experiment.entry_id' 'dipolar_coupling_experiment' yes
'_dipolar_coupling_software.entry_id' 'dipolar_coupling_software' yes
'_dipolar_coupling.entry_id' 'dipolar_coupling' yes
'_spectral_density_list.entry_id' 'spectral_density_list' yes
'_spectral_density_experiment.entry_id' 'spectral_density_experiment' yes
'_spectral_density_software.entry_id' 'spectral_density_software' yes
'_spectral_density.entry_id' 'spectral_density' yes
'_other_data_type_list.entry_id' 'other_data_type_list' yes
'_other_data_experiment.entry_id' 'other_data_experiment' yes
'_other_data_software.entry_id' 'other_data_software' yes
'_other_data.entry_id' 'other_data' yes
'_chemical_rate_list.entry_id' 'chemical_rate_list' yes
'_chemical_rate_experiment.entry_id' 'chemical_rate_experiment' yes
'_chemical_rate_software.entry_id' 'chemical_rate_software' yes
'_chemical_rate.entry_id' 'chemical_rate' yes
'_h_exch_rate_list.entry_id' 'h_exch_rate_list' yes
'_h_exch_rate_experiment.entry_id' 'h_exch_rate_experiment' yes
'_h_exch_rate_software.entry_id' 'h_exch_rate_software' yes
'_h_exch_rate.entry_id' 'h_exch_rate' yes
'_h_exch_protection_factor_list.entry_id' 'h_exch_protection_factor_list' yes
'_h_exch_protection_fact_experiment.entry_id' 'h_exch_protection_fact_experiment' yes
'_h_exch_protection_fact_software.entry_id' 'h_exch_protection_fact_software' yes
'_h_exch_protection_factor.entry_id' 'h_exch_protection_factor' yes
'_homonucl_noe_list.entry_id' 'homonucl_noe_list' yes
'_homonucl_noe_experiment.entry_id' 'homonucl_noe_experiment' yes
'_homonucl_noe_software.entry_id' 'homonucl_noe_software' yes
'_homonucl_noe.entry_id' 'homonucl_noe' yes
'_heteronucl_noe_list.entry_id' 'heteronucl_noe_list' yes
'_heteronucl_noe_experiment.entry_id' 'heteronucl_noe_experiment' yes
'_heteronucl_noe_software.entry_id' 'heteronucl_noe_software' yes
'_heteronucl_noe.entry_id' 'heteronucl_noe' yes
'_theoretical_heteronucl_noe_list.entry_id' 'theoretical_heteronucl_noe_list' yes
'_theoretical_heteronucl_noe_experiment.entry_id' 'theoretical_heteronucl_noe_experiment' yes
'_theoretical_heteronucl_noe_software.entry_id' 'theoretical_heteronucl_noe_software' yes
'_theoretical_heteronucl_noe.entry_id' 'theoretical_heteronucl_noe' yes
'_heteronucl_t1_list.entry_id' 'heteronucl_t1_list' yes
'_heteronucl_t1_experiment.entry_id' 'heteronucl_t1_experiment' yes
'_heteronucl_t1_software.entry_id' 'heteronucl_t1_software' yes
'_t1.entry_id' 't1' yes
'_theoretical_heteronucl_t1_list.entry_id' 'theoretical_heteronucl_t1_list' yes
'_theoretical_heteronucl_t1_experiment.entry_id' 'theoretical_heteronucl_t1_experiment' yes
'_theoretical_heteronucl_t1_software.entry_id' 'theoretical_heteronucl_t1_software' yes
'_theoretical_t1.entry_id' 'theoretical_t1' yes
'_heteronucl_t1rho_list.entry_id' 'heteronucl_t1rho_list' yes
'_heteronucl_t1rho_experiment.entry_id' 'heteronucl_t1rho_experiment' yes
'_heteronucl_t1rho_software.entry_id' 'heteronucl_t1rho_software' yes
'_t1rho.entry_id' 't1rho' yes
'_heteronucl_t2_list.entry_id' 'heteronucl_t2_list' yes
'_heteronucl_t2_experiment.entry_id' 'heteronucl_t2_experiment' yes
'_heteronucl_t2_software.entry_id' 'heteronucl_t2_software' yes
'_t2.entry_id' 't2' yes
'_theoretical_heteronucl_t2_list.entry_id' 'theoretical_heteronucl_t2_list' yes
'_theoretical_heteronucl_t2_experiment.entry_id' 'theoretical_heteronucl_t2_experiment' yes
'_theoretical_heteronucl_t2_software.entry_id' 'theoretical_heteronucl_t2_software' yes
'_theoretical_t2.entry_id' 'theoretical_t2' yes
'_auto_relaxation_list.entry_id' 'auto_relaxation_list' yes
'_auto_relaxation_experiment.entry_id' 'auto_relaxation_experiment' yes
'_auto_relaxation_software.entry_id' 'auto_relaxation_software' yes
'_auto_relaxation.entry_id' 'auto_relaxation' yes
'_theoretical_auto_relaxation_list.entry_id' 'theoretical_auto_relaxation_list' yes
'_theoretical_auto_relaxation_experiment.entry_id' 'theoretical_auto_relaxation_experiment' yes
'_theoretical_auto_relaxation_software.entry_id' 'theoretical_auto_relaxation_software' yes
'_theoretical_auto_relaxation.entry_id' 'theoretical_auto_relaxation' yes
'_dipole_dipole_relax_list.entry_id' 'dipole_dipole_relax_list' yes
'_dipole_dipole_relax_experiment.entry_id' 'dipole_dipole_relax_experiment' yes
'_dipole_dipole_relax_software.entry_id' 'dipole_dipole_relax_software' yes
'_dipole_dipole_relax.entry_id' 'dipole_dipole_relax' yes
'_cross_correlation_dd_list.entry_id' 'cross_correlation_dd_list' yes
'_cross_correlation_dd_experiment.entry_id' 'cross_correlation_dd_experiment' yes
'_cross_correlation_dd_software.entry_id' 'cross_correlation_dd_software' yes
'_cross_correlation_dd.entry_id' 'cross_correlation_dd' yes
'_theoretical_cross_correlation_dd_list.entry_id' 'theoretical_cross_correlation_dd_list' yes
'_theoretical_cross_correlation_dd_experiment.entry_id' 'theoretical_cross_correlation_dd_experiment' yes
'_theoretical_cross_correlation_dd_software.entry_id' 'theoretical_cross_correlation_dd_software' yes
'_theoretical_cross_correlation_dd.entry_id' 'theoretical_cross_correlation_dd' yes
'_cross_correlation_d_csa_list.entry_id' 'cross_correlation_d_csa_list' yes
'_cross_correlation_d_csa_experiment.entry_id' 'cross_correlation_d_csa_experiment' yes
'_cross_correlation_d_csa_software.entry_id' 'cross_correlation_d_csa_software' yes
'_cross_correlation_d_csa.entry_id' 'cross_correlation_d_csa' yes
'_order_parameter_list.entry_id' 'order_parameter_list' yes
'_order_parameter_experiment.entry_id' 'order_parameter_experiment' yes
'_order_parameter_software.entry_id' 'order_parameter_software' yes
'_order_param.entry_id' 'order_param' yes
'_ph_titration_list.entry_id' 'ph_titration_list' yes
'_ph_titration_experiment.entry_id' 'ph_titration_experiment' yes
'_ph_titration_software.entry_id' 'ph_titration_software' yes
'_ph_titr_result.entry_id' 'ph_titr_result' yes
'_ph_param_list.entry_id' 'ph_param_list' yes
'_ph_param.entry_id' 'ph_param' yes
'_d_h_fractionation_factor_list.entry_id' 'd_h_fractionation_factor_list' yes
'_d_h_fract_factor_experiment.entry_id' 'd_h_fract_factor_experiment' yes
'_d_h_fract_factor_software.entry_id' 'd_h_fract_factor_software' yes
'_d_h_fractionation_factor.entry_id' 'd_h_fractionation_factor' yes
'_binding_value_list.entry_id' 'binding_value_list' yes
'_binding_experiment.entry_id' 'binding_experiment' yes
'_binding_software.entry_id' 'binding_software' yes
'_binding_result.entry_id' 'binding_result' yes
'_binding_partners.entry_id' 'binding_partners' yes
'_binding_param_list.entry_id' 'binding_param_list' yes
'_binding_param.entry_id' 'binding_param' yes
'_deduced_secd_struct_list.entry_id' 'deduced_secd_struct_list' yes
'_deduced_secd_struct_experiment.entry_id' 'deduced_secd_struct_experiment' yes
'_deduced_secd_struct_software.entry_id' 'deduced_secd_struct_software' yes
'_deduced_secd_struct_exptl.entry_id' 'deduced_secd_struct_exptl' yes
'_deduced_secd_struct_feature.entry_id' 'deduced_secd_struct_feature' yes
'_deduced_h_bond_list.entry_id' 'deduced_h_bond_list' yes
'_deduced_h_bond_experiment.entry_id' 'deduced_h_bond_experiment' yes
'_deduced_h_bond_software.entry_id' 'deduced_h_bond_software' yes
'_deduced_h_bond.entry_id' 'deduced_h_bond' yes
'_conformer_stat_list.entry_id' 'conformer_stat_list' yes
'_conformer_stat_list_ens.entry_id' 'conformer_stat_list_ens' yes
'_conformer_stat_list_rep.entry_id' 'conformer_stat_list_rep' yes
'_conf_stats_software.entry_id' 'conf_stats_software' yes
'_conformer_family_coord_set.entry_id' 'conformer_family_coord_set' yes
'_conformer_family_refinement.entry_id' 'conformer_family_refinement' yes
'_conformer_family_software.entry_id' 'conformer_family_software' yes
'_energetic_penalty_function.entry_id' 'energetic_penalty_function' yes
'_conformer_family_coord_set_expt.entry_id' 'conformer_family_coord_set_expt' yes
'_conf_family_coord_set_constr_list.entry_id' 'conf_family_coord_set_constr_list' yes
'_struct_image.entry_id' 'struct_image' yes
'_local_structure_quality.entry_id' 'local_structure_quality' yes
'_model_type.entry_id' 'model_type' yes
'_atom_site.entry_id' 'atom_site' yes
'_atom_sites_footnote.entry_id' 'atom_sites_footnote' yes
'_representative_conformer.entry_id' 'representative_conformer' yes
'_rep_conf_refinement.entry_id' 'rep_conf_refinement' yes
'_rep_conf_software.entry_id' 'rep_conf_software' yes
'_terminal_residue.entry_id' 'terminal_residue' yes
'_rep_conf.entry_id' 'rep_conf' yes
'_rep_coordinate_details.entry_id' 'rep_coordinate_details' yes
'_constraint_stat_list.entry_id' 'constraint_stat_list' yes
'_constraint_stat_list_ens.entry_id' 'constraint_stat_list_ens' yes
'_constraint_stat_list_rep.entry_id' 'constraint_stat_list_rep' yes
'_constraint_stats_constr_list.entry_id' 'constraint_stats_constr_list' yes
'_constraint_file.entry_id' 'constraint_file' yes
'_force_constant_list.entry_id' 'force_constant_list' yes
'_force_constant_software.entry_id' 'force_constant_software' yes
'_force_constant.entry_id' 'force_constant' yes
'_angular_order_parameter_list.entry_id' 'angular_order_parameter_list' yes
'_angular_order_param.entry_id' 'angular_order_param' yes
'_tertiary_struct_element_list.entry_id' 'tertiary_struct_element_list' yes
'_tertiary_struct_element_sel.entry_id' 'tertiary_struct_element_sel' yes
'_tertiary_struct.entry_id' 'tertiary_struct' yes
'_structure_annotation.entry_id' 'structure_annotation' yes
'_struct_anno_software.entry_id' 'struct_anno_software' yes
'_struct_classification.entry_id' 'struct_classification' yes
'_struct_anno_char.entry_id' 'struct_anno_char' yes
'_secondary_struct_list.entry_id' 'secondary_struct_list' yes
'_secondary_struct_sel.entry_id' 'secondary_struct_sel' yes
'_secondary_struct.entry_id' 'secondary_struct' yes
'_bond_annotation_list.entry_id' 'bond_annotation_list' yes
'_bond_annotation.entry_id' 'bond_annotation' yes
'_bond_observed_conformer.entry_id' 'bond_observed_conformer' yes
'_structure_interaction_list.entry_id' 'structure_interaction_list' yes
'_structure_interaction.entry_id' 'structure_interaction' yes
'_observed_conformer.entry_id' 'observed_conformer' yes
'_other_struct_feature_list.entry_id' 'other_struct_feature_list' yes
'_other_struct_feature.entry_id' 'other_struct_feature' yes
'_tensor_list.entry_id' 'tensor_list' yes
'_interatomic_distance_list.entry_id' 'interatomic_distance_list' yes
'_interatomic_dist.entry_id' 'interatomic_dist' yes
'_gen_dist_constraint_list.entry_id' 'gen_dist_constraint_list' yes
'_gen_dist_constraint_expt.entry_id' 'gen_dist_constraint_expt' yes
'_gen_dist_constraint_software.entry_id' 'gen_dist_constraint_software' yes
'_gen_dist_constraint_software_param.entry_id' 'gen_dist_constraint_software_param' yes
'_gen_dist_constraint.entry_id' 'gen_dist_constraint' yes
'_gen_dist_constraint_comment_org.entry_id' 'gen_dist_constraint_comment_org' yes
'_gen_dist_constraint_parse_err.entry_id' 'gen_dist_constraint_parse_err' yes
'_gen_dist_constraint_parse_file.entry_id' 'gen_dist_constraint_parse_file' yes
'_gen_dist_constraint_conv_err.entry_id' 'gen_dist_constraint_conv_err' yes
'_distance_constraint_list.entry_id' 'distance_constraint_list' yes
'_distance_constraint_expt.entry_id' 'distance_constraint_expt' yes
'_distance_constraint_software.entry_id' 'distance_constraint_software' yes
'_dist_constr_software_setting.entry_id' 'dist_constr_software_setting' yes
'_dist_constraint_tree.entry_id' 'dist_constraint_tree' yes
'_dist_constraint.entry_id' 'dist_constraint' yes
'_dist_constraint_value.entry_id' 'dist_constraint_value' yes
'_dist_constraint_comment_org.entry_id' 'dist_constraint_comment_org' yes
'_dist_constraint_parse_err.entry_id' 'dist_constraint_parse_err' yes
'_dist_constraint_parse_file.entry_id' 'dist_constraint_parse_file' yes
'_dist_constraint_conv_err.entry_id' 'dist_constraint_conv_err' yes
'_floating_chirality_assign.entry_id' 'floating_chirality_assign' yes
'_floating_chirality_software.entry_id' 'floating_chirality_software' yes
'_floating_chirality.entry_id' 'floating_chirality' yes
'_torsion_angle_constraint_list.entry_id' 'torsion_angle_constraint_list' yes
'_torsion_angle_constraints_expt.entry_id' 'torsion_angle_constraints_expt' yes
'_torsion_angle_constraint_software.entry_id' 'torsion_angle_constraint_software' yes
'_karplus_equation.entry_id' 'karplus_equation' yes
'_torsion_angle_constraint.entry_id' 'torsion_angle_constraint' yes
'_ta_constraint_comment_org.entry_id' 'ta_constraint_comment_org' yes
'_ta_constraint_parse_err.entry_id' 'ta_constraint_parse_err' yes
'_ta_constraint_parse_file.entry_id' 'ta_constraint_parse_file' yes
'_ta_constraint_conv_err.entry_id' 'ta_constraint_conv_err' yes
'_rdc_constraint_list.entry_id' 'rdc_constraint_list' yes
'_rdc_constraint_expt.entry_id' 'rdc_constraint_expt' yes
'_rdc_constraint_software.entry_id' 'rdc_constraint_software' yes
'_rdc_constraint.entry_id' 'rdc_constraint' yes
'_rdc_constraint_comment_org.entry_id' 'rdc_constraint_comment_org' yes
'_rdc_constraint_parse_err.entry_id' 'rdc_constraint_parse_err' yes
'_rdc_constraint_parse_file.entry_id' 'rdc_constraint_parse_file' yes
'_rdc_constraint_conv_err.entry_id' 'rdc_constraint_conv_err' yes
'_j_three_bond_constraint_list.entry_id' 'j_three_bond_constraint_list' yes
'_j_three_bond_constraint_expt.entry_id' 'j_three_bond_constraint_expt' yes
'_j_three_bond_constraint_software.entry_id' 'j_three_bond_constraint_software' yes
'_j_three_bond_constraint.entry_id' 'j_three_bond_constraint' yes
'_ca_cb_constraint_list.entry_id' 'ca_cb_constraint_list' yes
'_ca_cb_constraint_expt.entry_id' 'ca_cb_constraint_expt' yes
'_ca_cb_constraint_software.entry_id' 'ca_cb_constraint_software' yes
'_ca_cb_constraint.entry_id' 'ca_cb_constraint' yes
'_h_chem_shift_constraint_list.entry_id' 'h_chem_shift_constraint_list' yes
'_h_chem_shift_constraint_expt.entry_id' 'h_chem_shift_constraint_expt' yes
'_h_chem_shift_constraint_software.entry_id' 'h_chem_shift_constraint_software' yes
'_h_chem_shift_constraint.entry_id' 'h_chem_shift_constraint' yes
'_peak_constraint_link_list.entry_id' 'peak_constraint_link_list' yes
'_peak_constraint_link.entry_id' 'peak_constraint_link' yes
'_saxs_constraint_list.entry_id' 'saxs_constraint_list' yes
'_saxs_constraint_expt.entry_id' 'saxs_constraint_expt' yes
'_saxs_constraint_software.entry_id' 'saxs_constraint_software' yes
'_saxs_constraint.entry_id' 'saxs_constraint' yes
'_other_constraint_list.entry_id' 'other_constraint_list' yes
'_other_constraint_expt.entry_id' 'other_constraint_expt' yes
'_other_constraint_software.entry_id' 'other_constraint_software' yes
'_org_constr_file_comment.entry_id' 'org_constr_file_comment' yes
'_mz_ratio_data_list.entry_id' 'mz_ratio_data_list' yes
'_mz_ratio_experiment.entry_id' 'mz_ratio_experiment' yes
'_mz_ratio_software.entry_id' 'mz_ratio_software' yes
'_mz_ratio_spectrum_param.entry_id' 'mz_ratio_spectrum_param' yes
'_mz_precursor_ion.entry_id' 'mz_precursor_ion' yes
'_mz_precursor_ion_annotation.entry_id' 'mz_precursor_ion_annotation' yes
'_mz_product_ion.entry_id' 'mz_product_ion' yes
'_mz_product_ion_annotation.entry_id' 'mz_product_ion_annotation' yes
'_ms_chromatogram_list.entry_id' 'ms_chromatogram_list' yes
'_ms_chromatogram_experiment.entry_id' 'ms_chromatogram_experiment' yes
'_ms_chromatogram_software.entry_id' 'ms_chromatogram_software' yes
'_ms_chromatogram_param.entry_id' 'ms_chromatogram_param' yes
'_ms_chromatogram_ion.entry_id' 'ms_chromatogram_ion' yes
'_ms_chrom_ion_annotation.entry_id' 'ms_chrom_ion_annotation' yes
'_software_specific_info_list.entry_id' 'software_specific_info_list' yes
'_software_specific_info.entry_id' 'software_specific_info' yes
'_software_applied_list.entry_id' 'software_applied_list' yes
'_software_applied_methods.entry_id' 'software_applied_methods' yes
'_software_applied_history.entry_id' 'software_applied_history' yes
'_history.entry_id' 'history' yes
# BMRB/XML: LACS extension
'_lacs_plot.entry_id' 'lacs_plot' yes
'_lacs_char.entry_id' 'lacs_char' yes
# BMRB/XML: PB extension
'_pb_list.entry_id' 'pb_list' yes
'_pb_char.entry_id' 'pb_char' yes
# BMRB/XML: CS completeness
'_chem_shift_completeness_list.entry_id' 'chem_shift_completeness_list' yes
'_chem_shift_completeness_char.entry_id' 'chem_shift_completeness_char' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_study_list.entry_id' '_entry.id'
'_entry_experimental_methods.entry_id' '_entry.id'
'_entry_author.entry_id' '_entry.id'
'_sg_project.entry_id' '_entry.id'
'_entry_src.entry_id' '_entry.id'
'_struct_keywords.entry_id' '_entry.id'
'_data_set.entry_id' '_entry.id'
'_datum.entry_id' '_entry.id'
'_release.entry_id' '_entry.id'
'_related_entries.entry_id' '_entry.id'
'_matched_entries.entry_id' '_entry.id'
'_auxiliary_files.entry_id' '_entry.id'
'_citation.entry_id' '_entry.id'
'_assembly.entry_id' '_entry.id'
'_assembly_annotation_list.entry_id' '_entry.id'
'_assembly_subsystem.entry_id' '_entry.id'
'_entity.entry_id' '_entry.id'
'_entity_natural_src_list.entry_id' '_entry.id'
'_entity_natural_src.entry_id' '_entry.id'
'_entity_experimental_src_list.entry_id' '_entry.id'
'_chem_comp.entry_id' '_entry.id'
'_chem_comp_atom.entry_id' '_entry.id'
'_sample.entry_id' '_entry.id'
'_sample_condition_list.entry_id' '_entry.id'
'_entity_purity_list.entry_id' '_entry.id'
'_software.entry_id' '_entry.id'
'_method.entry_id' '_entry.id'
'_mass_spec.entry_id' '_entry.id'
'_mass_spectrometer_list.entry_id' '_entry.id'
'_mass_spec_ref_compd_set.entry_id' '_entry.id'
'_chromatographic_system.entry_id' '_entry.id'
'_chromatographic_column.entry_id' '_entry.id'
'_fluorescence_instrument.entry_id' '_entry.id'
'_emr_instrument.entry_id' '_entry.id'
'_xray_instrument.entry_id' '_entry.id'
'_nmr_spectrometer.entry_id' '_entry.id'
'_nmr_spectrometer_list.entry_id' '_entry.id'
'_nmr_spectrometer_probe.entry_id' '_entry.id'
'_experiment_list.entry_id' '_entry.id'
'_nmr_spec_expt.entry_id' '_entry.id'
'_nmr_spectral_processing.entry_id' '_entry.id'
'_ms_expt.entry_id' '_entry.id'
'_ms_expt_param.entry_id' '_entry.id'
'_ms_expt_software.entry_id' '_entry.id'
'_computer.entry_id' '_entry.id'
'_chem_shift_reference.entry_id' '_entry.id'
'_assigned_chem_shift_list.entry_id' '_entry.id'
'_chem_shifts_calc_type.entry_id' '_entry.id'
'_theoretical_chem_shift_list.entry_id' '_entry.id'
'_theoretical_chem_shift.entry_id' '_entry.id'
'_coupling_constant_list.entry_id' '_entry.id'
'_theoretical_coupling_constant_list.entry_id' '_entry.id'
'_spectral_peak_list.entry_id' '_entry.id'
'_resonance_linker_list.entry_id' '_entry.id'
'_resonance_assignment.entry_id' '_entry.id'
'_chem_shift_isotope_effect_list.entry_id' '_entry.id'
'_chem_shift_perturbation_list.entry_id' '_entry.id'
'_chem_shift_anisotropy.entry_id' '_entry.id'
'_rdc_list.entry_id' '_entry.id'
'_rdc_experiment.entry_id' '_entry.id'
'_rdc_software.entry_id' '_entry.id'
'_rdc.entry_id' '_entry.id'
'_dipolar_coupling_list.entry_id' '_entry.id'
'_dipolar_coupling_experiment.entry_id' '_entry.id'
'_dipolar_coupling_software.entry_id' '_entry.id'
'_dipolar_coupling.entry_id' '_entry.id'
'_spectral_density_list.entry_id' '_entry.id'
'_spectral_density_experiment.entry_id' '_entry.id'
'_spectral_density_software.entry_id' '_entry.id'
'_spectral_density.entry_id' '_entry.id'
'_other_data_type_list.entry_id' '_entry.id'
'_other_data_experiment.entry_id' '_entry.id'
'_other_data_software.entry_id' '_entry.id'
'_other_data.entry_id' '_entry.id'
'_chemical_rate_list.entry_id' '_entry.id'
'_chemical_rate_experiment.entry_id' '_entry.id'
'_chemical_rate_software.entry_id' '_entry.id'
'_chemical_rate.entry_id' '_entry.id'
'_h_exch_rate_list.entry_id' '_entry.id'
'_h_exch_rate_experiment.entry_id' '_entry.id'
'_h_exch_rate_software.entry_id' '_entry.id'
'_h_exch_rate.entry_id' '_entry.id'
'_h_exch_protection_factor_list.entry_id' '_entry.id'
'_h_exch_protection_fact_experiment.entry_id' '_entry.id'
'_h_exch_protection_fact_software.entry_id' '_entry.id'
'_h_exch_protection_factor.entry_id' '_entry.id'
'_homonucl_noe_list.entry_id' '_entry.id'
'_homonucl_noe_experiment.entry_id' '_entry.id'
'_homonucl_noe_software.entry_id' '_entry.id'
'_homonucl_noe.entry_id' '_entry.id'
'_heteronucl_noe_list.entry_id' '_entry.id'
'_heteronucl_noe_experiment.entry_id' '_entry.id'
'_heteronucl_noe_software.entry_id' '_entry.id'
'_heteronucl_noe.entry_id' '_entry.id'
'_theoretical_heteronucl_noe_list.entry_id' '_entry.id'
'_theoretical_heteronucl_noe_experiment.entry_id' '_entry.id'
'_theoretical_heteronucl_noe_software.entry_id' '_entry.id'
'_theoretical_heteronucl_noe.entry_id' '_entry.id'
'_heteronucl_t1_list.entry_id' '_entry.id'
'_heteronucl_t1_experiment.entry_id' '_entry.id'
'_heteronucl_t1_software.entry_id' '_entry.id'
'_t1.entry_id' '_entry.id'
'_theoretical_heteronucl_t1_list.entry_id' '_entry.id'
'_theoretical_heteronucl_t1_experiment.entry_id' '_entry.id'
'_theoretical_heteronucl_t1_software.entry_id' '_entry.id'
'_theoretical_t1.entry_id' '_entry.id'
'_heteronucl_t1rho_list.entry_id' '_entry.id'
'_heteronucl_t1rho_experiment.entry_id' '_entry.id'
'_heteronucl_t1rho_software.entry_id' '_entry.id'
'_t1rho.entry_id' '_entry.id'
'_heteronucl_t2_list.entry_id' '_entry.id'
'_heteronucl_t2_experiment.entry_id' '_entry.id'
'_heteronucl_t2_software.entry_id' '_entry.id'
'_t2.entry_id' '_entry.id'
'_theoretical_heteronucl_t2_list.entry_id' '_entry.id'
'_theoretical_heteronucl_t2_experiment.entry_id' '_entry.id'
'_theoretical_heteronucl_t2_software.entry_id' '_entry.id'
'_theoretical_t2.entry_id' '_entry.id'
'_auto_relaxation_list.entry_id' '_entry.id'
'_auto_relaxation_experiment.entry_id' '_entry.id'
'_auto_relaxation_software.entry_id' '_entry.id'
'_auto_relaxation.entry_id' '_entry.id'
'_theoretical_auto_relaxation_list.entry_id' '_entry.id'
'_theoretical_auto_relaxation_experiment.entry_id' '_entry.id'
'_theoretical_auto_relaxation_software.entry_id' '_entry.id'
'_theoretical_auto_relaxation.entry_id' '_entry.id'
'_dipole_dipole_relax_list.entry_id' '_entry.id'
'_dipole_dipole_relax_experiment.entry_id' '_entry.id'
'_dipole_dipole_relax_software.entry_id' '_entry.id'
'_dipole_dipole_relax.entry_id' '_entry.id'
'_cross_correlation_dd_list.entry_id' '_entry.id'
'_cross_correlation_dd_experiment.entry_id' '_entry.id'
'_cross_correlation_dd_software.entry_id' '_entry.id'
'_cross_correlation_dd.entry_id' '_entry.id'
'_theoretical_cross_correlation_dd_list.entry_id' '_entry.id'
'_theoretical_cross_correlation_dd_experiment.entry_id' '_entry.id'
'_theoretical_cross_correlation_dd_software.entry_id' '_entry.id'
'_theoretical_cross_correlation_dd.entry_id' '_entry.id'
'_cross_correlation_d_csa_list.entry_id' '_entry.id'
'_cross_correlation_d_csa_experiment.entry_id' '_entry.id'
'_cross_correlation_d_csa_software.entry_id' '_entry.id'
'_cross_correlation_d_csa.entry_id' '_entry.id'
'_order_parameter_list.entry_id' '_entry.id'
'_order_parameter_experiment.entry_id' '_entry.id'
'_order_parameter_software.entry_id' '_entry.id'
'_order_param.entry_id' '_entry.id'
'_ph_titration_list.entry_id' '_entry.id'
'_ph_titration_experiment.entry_id' '_entry.id'
'_ph_titration_software.entry_id' '_entry.id'
'_ph_titr_result.entry_id' '_entry.id'
'_ph_param_list.entry_id' '_entry.id'
'_ph_param.entry_id' '_entry.id'
'_d_h_fractionation_factor_list.entry_id' '_entry.id'
'_d_h_fract_factor_experiment.entry_id' '_entry.id'
'_d_h_fract_factor_software.entry_id' '_entry.id'
'_d_h_fractionation_factor.entry_id' '_entry.id'
'_binding_value_list.entry_id' '_entry.id'
'_binding_experiment.entry_id' '_entry.id'
'_binding_software.entry_id' '_entry.id'
'_binding_result.entry_id' '_entry.id'
'_binding_partners.entry_id' '_entry.id'
'_binding_param_list.entry_id' '_entry.id'
'_binding_param.entry_id' '_entry.id'
'_deduced_secd_struct_list.entry_id' '_entry.id'
'_deduced_secd_struct_experiment.entry_id' '_entry.id'
'_deduced_secd_struct_software.entry_id' '_entry.id'
'_deduced_secd_struct_exptl.entry_id' '_entry.id'
'_deduced_secd_struct_feature.entry_id' '_entry.id'
'_deduced_h_bond_list.entry_id' '_entry.id'
'_deduced_h_bond_experiment.entry_id' '_entry.id'
'_deduced_h_bond_software.entry_id' '_entry.id'
'_deduced_h_bond.entry_id' '_entry.id'
'_conformer_stat_list.entry_id' '_entry.id'
'_conformer_stat_list_ens.entry_id' '_entry.id'
'_conformer_stat_list_rep.entry_id' '_entry.id'
'_conf_stats_software.entry_id' '_entry.id'
'_conformer_family_coord_set.entry_id' '_entry.id'
'_conformer_family_refinement.entry_id' '_entry.id'
'_conformer_family_software.entry_id' '_entry.id'
'_energetic_penalty_function.entry_id' '_entry.id'
'_conformer_family_coord_set_expt.entry_id' '_entry.id'
'_conf_family_coord_set_constr_list.entry_id' '_entry.id'
'_struct_image.entry_id' '_entry.id'
'_local_structure_quality.entry_id' '_entry.id'
'_model_type.entry_id' '_entry.id'
'_atom_site.entry_id' '_entry.id'
'_atom_sites_footnote.entry_id' '_entry.id'
'_representative_conformer.entry_id' '_entry.id'
'_rep_conf_refinement.entry_id' '_entry.id'
'_rep_conf_software.entry_id' '_entry.id'
'_terminal_residue.entry_id' '_entry.id'
'_rep_conf.entry_id' '_entry.id'
'_rep_coordinate_details.entry_id' '_entry.id'
'_constraint_stat_list.entry_id' '_entry.id'
'_constraint_stat_list_ens.entry_id' '_entry.id'
'_constraint_stat_list_rep.entry_id' '_entry.id'
'_constraint_stats_constr_list.entry_id' '_entry.id'
'_constraint_file.entry_id' '_entry.id'
'_force_constant_list.entry_id' '_entry.id'
'_force_constant_software.entry_id' '_entry.id'
'_force_constant.entry_id' '_entry.id'
'_angular_order_parameter_list.entry_id' '_entry.id'
'_angular_order_param.entry_id' '_entry.id'
'_tertiary_struct_element_list.entry_id' '_entry.id'
'_tertiary_struct_element_sel.entry_id' '_entry.id'
'_tertiary_struct.entry_id' '_entry.id'
'_structure_annotation.entry_id' '_entry.id'
'_struct_anno_software.entry_id' '_entry.id'
'_struct_classification.entry_id' '_entry.id'
'_struct_anno_char.entry_id' '_entry.id'
'_secondary_struct_list.entry_id' '_entry.id'
'_secondary_struct_sel.entry_id' '_entry.id'
'_secondary_struct.entry_id' '_entry.id'
'_bond_annotation_list.entry_id' '_entry.id'
'_bond_annotation.entry_id' '_entry.id'
'_bond_observed_conformer.entry_id' '_entry.id'
'_structure_interaction_list.entry_id' '_entry.id'
'_structure_interaction.entry_id' '_entry.id'
'_observed_conformer.entry_id' '_entry.id'
'_other_struct_feature_list.entry_id' '_entry.id'
'_other_struct_feature.entry_id' '_entry.id'
'_tensor_list.entry_id' '_entry.id'
'_interatomic_distance_list.entry_id' '_entry.id'
'_interatomic_dist.entry_id' '_entry.id'
'_gen_dist_constraint_list.entry_id' '_entry.id'
'_gen_dist_constraint_expt.entry_id' '_entry.id'
'_gen_dist_constraint_software.entry_id' '_entry.id'
'_gen_dist_constraint_software_param.entry_id' '_entry.id'
'_gen_dist_constraint.entry_id' '_entry.id'
'_gen_dist_constraint_comment_org.entry_id' '_entry.id'
'_gen_dist_constraint_parse_err.entry_id' '_entry.id'
'_gen_dist_constraint_parse_file.entry_id' '_entry.id'
'_gen_dist_constraint_conv_err.entry_id' '_entry.id'
'_distance_constraint_list.entry_id' '_entry.id'
'_distance_constraint_expt.entry_id' '_entry.id'
'_distance_constraint_software.entry_id' '_entry.id'
'_dist_constr_software_setting.entry_id' '_entry.id'
'_dist_constraint_tree.entry_id' '_entry.id'
'_dist_constraint.entry_id' '_entry.id'
'_dist_constraint_value.entry_id' '_entry.id'
'_dist_constraint_comment_org.entry_id' '_entry.id'
'_dist_constraint_parse_err.entry_id' '_entry.id'
'_dist_constraint_parse_file.entry_id' '_entry.id'
'_dist_constraint_conv_err.entry_id' '_entry.id'
'_floating_chirality_assign.entry_id' '_entry.id'
'_floating_chirality_software.entry_id' '_entry.id'
'_floating_chirality.entry_id' '_entry.id'
'_torsion_angle_constraint_list.entry_id' '_entry.id'
'_torsion_angle_constraints_expt.entry_id' '_entry.id'
'_torsion_angle_constraint_software.entry_id' '_entry.id'
'_karplus_equation.entry_id' '_entry.id'
'_torsion_angle_constraint.entry_id' '_entry.id'
'_ta_constraint_comment_org.entry_id' '_entry.id'
'_ta_constraint_parse_err.entry_id' '_entry.id'
'_ta_constraint_parse_file.entry_id' '_entry.id'
'_ta_constraint_conv_err.entry_id' '_entry.id'
'_rdc_constraint_list.entry_id' '_entry.id'
'_rdc_constraint_expt.entry_id' '_entry.id'
'_rdc_constraint_software.entry_id' '_entry.id'
'_rdc_constraint.entry_id' '_entry.id'
'_rdc_constraint_comment_org.entry_id' '_entry.id'
'_rdc_constraint_parse_err.entry_id' '_entry.id'
'_rdc_constraint_parse_file.entry_id' '_entry.id'
'_rdc_constraint_conv_err.entry_id' '_entry.id'
'_j_three_bond_constraint_list.entry_id' '_entry.id'
'_j_three_bond_constraint_expt.entry_id' '_entry.id'
'_j_three_bond_constraint_software.entry_id' '_entry.id'
'_j_three_bond_constraint.entry_id' '_entry.id'
'_ca_cb_constraint_list.entry_id' '_entry.id'
'_ca_cb_constraint_expt.entry_id' '_entry.id'
'_ca_cb_constraint_software.entry_id' '_entry.id'
'_ca_cb_constraint.entry_id' '_entry.id'
'_h_chem_shift_constraint_list.entry_id' '_entry.id'
'_h_chem_shift_constraint_expt.entry_id' '_entry.id'
'_h_chem_shift_constraint_software.entry_id' '_entry.id'
'_h_chem_shift_constraint.entry_id' '_entry.id'
'_peak_constraint_link_list.entry_id' '_entry.id'
'_peak_constraint_link.entry_id' '_entry.id'
'_saxs_constraint_list.entry_id' '_entry.id'
'_saxs_constraint_expt.entry_id' '_entry.id'
'_saxs_constraint_software.entry_id' '_entry.id'
'_saxs_constraint.entry_id' '_entry.id'
'_other_constraint_list.entry_id' '_entry.id'
'_other_constraint_expt.entry_id' '_entry.id'
'_other_constraint_software.entry_id' '_entry.id'
'_org_constr_file_comment.entry_id' '_entry.id'
'_mz_ratio_data_list.entry_id' '_entry.id'
'_mz_ratio_experiment.entry_id' '_entry.id'
'_mz_ratio_software.entry_id' '_entry.id'
'_mz_ratio_spectrum_param.entry_id' '_entry.id'
'_mz_precursor_ion.entry_id' '_entry.id'
'_mz_precursor_ion_annotation.entry_id' '_entry.id'
'_mz_product_ion.entry_id' '_entry.id'
'_mz_product_ion_annotation.entry_id' '_entry.id'
'_ms_chromatogram_list.entry_id' '_entry.id'
'_ms_chromatogram_experiment.entry_id' '_entry.id'
'_ms_chromatogram_software.entry_id' '_entry.id'
'_ms_chromatogram_param.entry_id' '_entry.id'
'_ms_chromatogram_ion.entry_id' '_entry.id'
'_ms_chrom_ion_annotation.entry_id' '_entry.id'
'_software_specific_info_list.entry_id' '_entry.id'
'_software_specific_info.entry_id' '_entry.id'
'_software_applied_list.entry_id' '_entry.id'
'_software_applied_methods.entry_id' '_entry.id'
'_software_applied_history.entry_id' '_entry.id'
'_history.entry_id' '_entry.id'
# BMRB/XML: LACS extension
'_lacs_plot.entry_id' '_entry.id'
'_lacs_char.entry_id' '_entry.id'
# BMRB/XML: PB extension
'_pb_list.entry_id' '_entry.id'
'_pb_char.entry_id' '_entry.id'
# BMRB/XML: CS completeness
'_chem_shift_completeness_list.entry_id' '_entry.id'
'_chem_shift_completeness_char.entry_id' '_entry.id'
stop_
_item_type.code 'code'
loop_
_item_examples.case
;
4181
;
stop_
save_
save__entry.title
_item_description.description
;
A descriptive title for the entry. Something similar to the title of a
scientific paper.
;
_item.name '_entry.title'
_item.category_id 'entry'
_item.mandatory_code yes
_item_type.code 'text'
loop_
_item_examples.case
;
Backbone 1H, 13C, and 15N Chemical Shift Assignments for Lysozyme
;
stop_
save_
save__entry.type
_item_description.description
;
The BMRB entry type with respect to the type of molecular system studied.
;
_item.name '_entry.type'
_item.category_id 'entry'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag yes
_item_type.code 'line'
_item_default.value 'macromolecule'
loop_
_item_enumeration.value
_item_enumeration.detail
macromolecule ?
'metabolite/natural product' ?
'small molecule' ?
'small molecule structure' ?
stop_
save_
save__entry.version_type
_item_description.description
;
Defines whether the current version of the entry is the original version
or an updated version.
;
_item.name '_entry.version_type'
_item.category_id 'entry'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag yes
_item_type.code 'line'
_item_default.value 'original'
loop_
_item_enumeration.value
_item_enumeration.detail
original ?
update ?
obsolete ?
stop_
loop_
_item_examples.case
;
original
;
stop_
save_
save__entry.submission_date
_item_description.description
;
Date the entry was submitted to BMRB.
;
_item.name '_entry.submission_date'
_item.category_id 'entry'
_item.mandatory_code yes
_item_type.code 'yyyy-mm-dd'
loop_
_item_examples.case
;
1999-07-03
;
stop_
save_
save__entry.accession_date
_item_description.description
;
Date BMRB accession number was assigned to the entry.
;
_item.name '_entry.accession_date'
_item.category_id 'entry'
_item.mandatory_code yes
_item_type.code 'yyyy-mm-dd'
loop_
_item_examples.case
;
1999-07-04
;
stop_
save_
save__entry.last_release_date
_item_description.description
;
Date the current version of th entry was released.
;
_item.name '_entry.last_release_date'
_item.category_id 'entry'
_item.mandatory_code no
_item_type.code 'yyyy-mm-dd'
loop_
_item_examples.case
;
2002-01-12
;
stop_
save_
save__entry.original_release_date
_item_description.description
;
Date the entry was originally released.
;
_item.name '_entry.original_release_date'
_item.category_id 'entry'
_item.mandatory_code no
_item_type.code 'yyyy-mm-dd'
loop_
_item_examples.case
;
2002-03-21
;
stop_
save_
save__entry.origination
_item_description.description
;
The value to this tag defines who entered the original data into the database.
Entries taken from the literature and entered by BMRB staff are marked
'BMRB.' Entries supplied by authors are marked 'author' and entries taken from
the PDB will be marked 'PDB.'
;
_item.name '_entry.origination'
_item.category_id 'entry'
_item.mandatory_code yes
_item_type.code 'line'
_item_default.value 'author'
loop_
_item_examples.case
;
author
;
stop_
save_
save__entry.format_name
_item_description.description
;
The name of the file format being used to express this data set.
;
_item.name '_entry.format_name'
_item.category_id 'entry'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag yes
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
NMR-STAR 'NMR-STAR file format'
stop_
save_
save__entry.nmr_star_version
_item_description.description
;
Version of NMR-STAR in which the current entry is formatted.
;
_item.name '_entry.nmr_star_version'
_item.category_id 'entry'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
_item_default.value '3.2.1.18'
# loop_
# _item_enumeration.value
# _item_enumeration.detail
# BMRB/XML: Replaced enumerations based on BMRB entries.
# 3.1 ?
# 3.1.0.29 ?
# 3.1.1.7 ?
# 3.1.1.21 ?
# 3.1.1.31 ?
# 3.1.1.61 ?
# 3.1.1.77 ?
# 3.1.1.81 ?
# 3.1.1.92 ?
# 3.1.1.93 ?
# 3.1.1.96 ?
# 3.1.1.97 ?
# 3.1.1.99 ?
# 3.1.1.92 ?
# 3.1.2.6 ?
# 3.2.0.9 ?
# 3.2.0.10 ?
# 3.2.0.11 ?
# 3.2.0.13 ?
# 3.2.0.15 ?
# 3.2.0.16 ?
# 3.2.1.2 ?
# 3.2.1.5 ?
# 3.2.1.9 ?
# 3.2.1.12 ?
# 3.2.1.15 ?
# 3.2.1.18 ?
# 3.2.1.32 ?
# 3.2.6.0 ?
# 3.2.10.3 ?
# 3.2.14.0 ?
# stop_
loop_
_item_examples.case
;
3.2.0.0
;
stop_
save_
save__entry.original_nmr_star_version
_item_description.description
;
Version of NMR-STAR in which the original entry was generated.
;
_item.name '_entry.original_nmr_star_version'
_item.category_id 'entry'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
# loop_
# _item_enumeration.value
# _item_enumeration.detail
# BMRB/XML: Replaced enumerations based on BMRB entries.
# 2.1 ?
# 3.0.2.8 ?
# 3.0.8.100 ?
# 3.0.8.109 ?
# 3.0.8.111 ?
# 3.0.8.112 ?
# 3.0.8.116 ?
# 3.0.8.120 ?
# 3.0.8.125 ?
# 3.0.8.34 ?
# 3.0.8.53 ?
# 3.0.8.58 ?
# 3.0.8.59 ?
# 3.0.8.78 ?
# 3.0.8.94 ?
# 3.0.8.96 ?
# 3.0.9.2 ?
# 3.0.9.13 ?
# 3.0.9.14 ?
# 3.1 ?
# 3.1.0.46 ?
# 3.1.1.7 ?
# 3.1.1.15 ?
# 3.1.1.19 ?
# 3.1.1.21 ?
# 3.1.1.31 ?
# 3.1.1.44 ?
# 3.1.1.61 ?
# 3.1.1.65 ?
# 3.1.1.75 ?
# 3.1.1.77 ?
# 3.1.1.81 ?
# 3.1.1.92 ?
# 3.1.1.99 ?
# 3.1.2.6 ?
# 3.2.0.9 ?
# 3.2.0.10 ?
# 3.2.0.11 ?
# 3.2.0.13 ?
# 3.2.0.15 ?
# 3.2.0.16 ?
# 3.2.1.2 ?
# 3.2.1.5 ?
# 3.2.1.9 ?
# 3.2.1.12 ?
# 3.2.1.15 ?
# 3.2.1.18 ?
# 3.2.1.32 ?
# 3.2.6.0 ?
# 3.2.10.3 ?
# 3.2.14.0 ?
# stop_
loop_
_item_examples.case
;
1
;
stop_
save_
save__entry.experimental_method
_item_description.description
;
The experimental method used to gather the data in the entry is given as
the value to this tag.
;
_item.name '_entry.experimental_method'
_item.category_id 'entry'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
_item_default.value 'NMR'
loop_
_item_enumeration.value
_item_enumeration.detail
NMR ?
Theoretical ?
stop_
loop_
_item_examples.case
;
NMR
;
stop_
save_
save__entry.experimental_method_subtype
_item_description.description
;
Enter the type of NMR method used (e.g., solution, solid-state (powder),
theoretical, etc.).
;
_item.name '_entry.experimental_method_subtype'
_item.category_id 'entry'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
_item_default.value 'solution'
loop_
_item_enumeration.value
_item_enumeration.detail
solution 'Experiments using solution samples'
solid-state 'Experiments using samples in the solid-state'
theoretical 'Data derived from theoretical calculations'
stop_
loop_
_item_examples.case
;
Solution
;
stop_
save_
save__entry.source_data_format
_item_description.description
;
The source format for data converted to NMR-STAR populating the entry.
;
_item.name '_entry.source_data_format'
_item.category_id 'entry'
_item.mandatory_code no
_item_type.code 'line'
save_
save__entry.source_data_format_version
_item_description.description
;
The source format version for data converted from another format and included
in the entry.
;
_item.name '_entry.source_data_format_version'
_item.category_id 'entry'
_item.mandatory_code no
_item_type.code 'line'
save_
save__entry.generated_software_name
_item_description.description
;
The creator program name for this data file.
;
_item.name '_entry.generated_software_name'
_item.category_id 'entry'
_item.mandatory_code no
_item_type.code 'line'
save_
save__entry.generated_software_version
_item_description.description
;
The creator program version for this data file.
;
_item.name '_entry.generated_software_version'
_item.category_id 'entry'
_item.mandatory_code no
_item_type.code 'line'
save_
save__entry.generated_software_id
_item_description.description
;
Pointer to '_Software.ID'
;
_item.name '_entry.generated_software_id'
_item.category_id 'entry'
_item.mandatory_code no
_item_type.code 'int'
save_
save__entry.generated_software_label
_item_description.description
;
Pointer to a saveframe of the category software.
;
_item.name '_entry.generated_software_label'
_item.category_id 'entry'
_item.mandatory_code no
_item_type.code 'framecode'
save_
save__entry.generated_date
_item_description.description
;
The creation date for this data set.
;
_item.name '_entry.generated_date'
_item.category_id 'entry'
_item.mandatory_code no
_item_type.code 'yyyy-mm-dd'
save_
save__entry.doi
_item_description.description
;
The digital object identifier assigned to this document.
;
_item.name '_entry.doi'
_item.category_id 'entry'
_item.mandatory_code no
_item_type.code 'line'
save_
save__entry.uuid
_item_description.description
;
The universal identifier for this data sert.
;
_item.name '_entry.uuid'
_item.category_id 'entry'
_item.mandatory_code no
_item_type.code 'line'
save_
save__entry.related_coordinate_file_name
_item_description.description
;
The coordinate data file name associated with this constraint data set.
;
_item.name '_entry.related_coordinate_file_name'
_item.category_id 'entry'
_item.mandatory_code no
_item_type.code 'line'
save_
save__entry.details
_item_description.description
;
An optional text description of the entry used to provide additional information
above that given as values to other items in the entry.
;
_item.name '_entry.details'
_item.category_id 'entry'
_item.mandatory_code no
_item_type.code 'text'
save_
save__entry.bmrb_internal_directory_name
_item_description.description
;
The name of the disk directory where data is stored at BMRB.
;
_item.name '_entry.bmrb_internal_directory_name'
_item.category_id 'entry'
_item.mandatory_code no
_item_type.code 'text'
save_
# BMRB/XML: Revived annotation.
save__entry.assigned_pdb_id
_item_description.description
;
PDB accession number for this entry
;
_item.name '_entry.assigned_pdb_id'
_item.category_id 'entry'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
2JM0
;
stop_
save_
# BMRB/XML: Revived annotation.
save__entry.assigned_pdb_deposition_code
_item_description.description
;
PDB deposition code for this entry
;
_item.name '_entry.assigned_pdb_deposition_code'
_item.category_id 'entry'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
RCSB100000
;
stop_
save_
save_entry_experimental_methods
_category.description
;
Items in the entry_experimental_methods list and describe the experimental techniques used to collect the data in the entry.
;
_category.id 'entry_experimental_methods'
_category.mandatory_code yes
loop_
_category_key.name
'_entry_experimental_methods.id'
'_entry_experimental_methods.entry_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entry_information'
stop_
save_
save__entry_experimental_methods.id
_item_description.description
;
A unique identifier for each experimental method used to collect data for
the entry.
;
_item.name '_entry_experimental_methods.id'
_item.category_id 'entry_experimental_methods'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__entry_experimental_methods.method
_item_description.description
;
The name of the experimental method used.
;
_item.name '_entry_experimental_methods.method'
_item.category_id 'entry_experimental_methods'
_item.mandatory_code yes
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
NMR ?
X-ray ?
SAXS ?
WAXS ?
EMR ?
FRET ?
MS ?
Theoretical ?
MD ?
stop_
save_
save__entry_experimental_methods.subtype
_item_description.description
;
The name of the submethod used, if appropriate.
;
_item.name '_entry_experimental_methods.subtype'
_item.category_id 'entry_experimental_methods'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
solution 'Experiments using solution samples'
solid-state 'Experiments using samples in the solid-state'
stop_
save_
save__entry_experimental_methods.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entry_experimental_methods.entry_id'
_item.category_id 'entry_experimental_methods'
_item.mandatory_code yes
_item_type.code 'code'
save_
save_entry_author
_category.description
;
Items in the entry_author category define the names of the authors of an entry.
;
_category.id 'entry_author'
_category.mandatory_code yes
loop_
_category_key.name
'_entry_author.ordinal'
'_entry_author.entry_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entry_information'
stop_
save_
save__entry_author.ordinal
_item_description.description
;
Integer value defining the position of the author's name in the list of authors.
;
_item.name '_entry_author.ordinal'
_item.category_id 'entry_author'
_item.mandatory_code yes
_item_type.code 'int'
loop_
_item_examples.case
;
1
;
stop_
save_
save__entry_author.given_name
_item_description.description
;
The name given the author at birth or currently used by the author for
publication purposes. Can be an initial if the author uses a second name as a full
name when publishing.
;
_item.name '_entry_author.given_name'
_item.category_id 'entry_author'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
Adlai
;
stop_
save_
# BMRB/XML: Added pdbx compatible author name.
save__entry_author.pdbx_name
_item_description.description
;
The family name(s), followed by a comma and including any
dynastic components, precedes the first name(s) or initial(s).
;
_item.name '_entry_author.pdbx_name'
_item.category_id 'entry_author'
_item.mandatory_code no
_item_type.code 'line'
save_
save__entry_author.family_name
_item_description.description
;
The family name of the author.
;
_item.name '_entry_author.family_name'
_item.category_id 'entry_author'
_item.mandatory_code yes
_item_type.code 'line'
loop_
_item_examples.case
;
Stevenson
;
stop_
save_
save__entry_author.first_initial
_item_description.description
;
Initial of the author's first name.
;
_item.name '_entry_author.first_initial'
_item.category_id 'entry_author'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
A.
;
stop_
save_
save__entry_author.middle_initials
_item_description.description
;
The initials for the author's middle names. A name can be used here if
the author uses a middle name for publications.
;
_item.name '_entry_author.middle_initials'
_item.category_id 'entry_author'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
T.L.
;
stop_
save_
save__entry_author.family_title
_item_description.description
;
A common family title (not a professional title).
;
_item.name '_entry_author.family_title'
_item.category_id 'entry_author'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'code'
loop_
_item_enumeration.value
_item_enumeration.detail
Sr. Senior
Jr. Junior
I First
II Second
III Third
IV Fourth
V Fifth
stop_
loop_
_item_examples.case
;
Jr.
;
stop_
save_
save__entry_author.orcid
_item_description.description
;
A unique identifier for individuals involved in scientific research and
publication.
;
_item.name '_entry_author.orcid'
_item.category_id 'entry_author'
_item.mandatory_code no
_item_type.code 'line'
save_
save__entry_author.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entry_author.entry_id'
_item.category_id 'entry_author'
_item.mandatory_code yes
_item_type.code 'code'
save_
save_sg_project
_category.description
;
Items in the SG_project category describe the structural genomics project that is the source of the data in an entry.
;
_category.id 'sg_project'
_category.mandatory_code yes
loop_
_category_key.name
'_sg_project.sg_project_id'
'_sg_project.entry_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entry_information'
stop_
save_
save__sg_project.sg_project_id
_item_description.description
;
A unique integer identifier for this center
;
_item.name '_sg_project.sg_project_id'
_item.category_id 'sg_project'
_item.mandatory_code yes
_item_type.code 'int'
loop_
_item_examples.case
;
1; 2; 3
;
stop_
save_
save__sg_project.project_name
_item_description.description
;
The value identifies the Structural Genomics project of the granting agency.
;
_item.name '_sg_project.project_name'
_item.category_id 'sg_project'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
'not applicable' ?
'Enzyme Function Initiative' ?
PSI:Biology ?
'PSI, Protein Structure Initiative' ?
'NPPSFA, National Project on Protein Structural and Functional Analyses' ?
SPINE ?
SPINE2 ?
'Protein 3000' ?
SSGCID ?
NIAID ?
SMolBNet ?
Other ?
stop_
loop_
_item_examples.case
;
PSI (Protein Structure Initiative)
;
stop_
save_
save__sg_project.full_name_of_center
_item_description.description
;
The value identifies the full name of center.
;
_item.name '_sg_project.full_name_of_center'
_item.category_id 'sg_project'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
# loop_
# _item_enumeration.value
# _item_enumeration.detail
#
# BMRB/XML: Eliminated the following enumerations.
# 'not applicable' ?
# 'Accelerated Technologies Center for Gene to 3D Structure' ?
# 'Assembly, Dynamics and Evolution of Cell-Cell and Cell-Matrix Adhesions' ?
# 'Atoms-to-Animals: The Immune Function Network' ?
# 'Architecture and Function of Biological Macromolecules Structure Genomics' ASG
# 'Bacterial targets at IGS-CNRS, France' ?
# 'Berkeley Structural Genomics Center' BSGC
# 'Center for Eukaryotic Structural Genomics' CESG
# 'Center for High-Throughput Structural Biology' ?
# 'Center for Membrane Proteins of Infectious Diseases' ?
# 'Center for Structural Genomics of Infectious Diseases' ?
# 'Center for Structures of Membrane Proteins' ?
# 'Center for the X-ray Structure Determination of Human Transporters' ?
# 'Chaperone-Enabled Studies of Epigenetic Regulation Enzymes' ?
# 'Enzyme Discovery for Natural Product Biosynthesis' ?
# 'GPCR Network' ?
# 'Integrated Center for Structure and Function Innovation' ?
# 'Israel Structural Proteomics Center' ?
# 'Joint Center for Structural Genomics' JCSG
# 'Marseilles Structural Genomics Program @ AFMB' ?
# 'Medical Structural Genomics of Pathogenic Protozoa' ?
# 'Membrane Protein Structural Biology Consortium' ?
# 'Membrane Protein Structures by Solution NMR' ?
# 'Midwest Center for Structural Genomics' MCSG
# 'Mitochondrial Protein Partnership' ?
# 'Montreal-Kingston Bacterial Structural Genomics Initiative' ?
# 'Mycobacterium Tuberculosis Structural Proteomics Project' ?
# 'New York Consortium on Membrane Protein Structure' ?
# 'New York SGX Research Center for Structural Genomics' ?
# 'New York Structural Genomics Research Consortium' NYSGRC
# 'New York Structural GenomiX Research Consortium' ?
# 'Northeast Structural Genomics Consortium' NESGC
# 'North West Structural Genomics Centre' NWSGC
# 'Nucleocytoplasmic Transport: a Target for Cellular Control' ?
# 'Ontario Centre for Structural Proteomics' ?
# 'Oxford Protein Production Facility' ?
# 'Paris-Sud Yeast Structural Genomics' ?
# 'Partnership for Stem Cell Biology' ?
# 'Partnership for T-Cell Biology' ?
# 'Program for the Characterization of Secreted Effector Proteins' ?
# 'Protein Structure Factory' PSF
# 'RIKEN Structural Genomics/Proteomics Initiative' ?
# 'Scottish Structural Proteomics Facility' ?
# 'Seattle Structural Genomics Center for Infectious Disease' ?
# 'Southeast Collaboratory for Structural Genomics' SECSG
# 'Structural Genomics Consortium' ?
# 'Structural Genomics Consortium for Research on Gene Expression' ?
# 'Structural Genomics of Pathogenic Protozoa Consortium' SGPPC
# 'Structural Proteomics in Europe' ?
# 'Structural Proteomics in Europe 2' ?
# 'Structure 2 Function Project' ?
# 'Structure Dynamics and Activation Mechanisms of Chemokine Receptors' ?
# 'Structure-Function Studies of Tight Junction Membrane Proteins' ?
# 'Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors' ?
# 'TB Structural Genomics Consortium' TBSGC
# 'Transcontinental EM Initiative for Membrane Protein Structure' ?
# 'Transmembrane Protein Center' ?
# 'Yeast Structural Genomics' YSG
# 'Bijvoet Centre Utrecht' ?
# 'Brazilian Sincrotron Light Laboratory' ?
# 'Center for Experimental Therapeutics and Pharmacoinformatics' ?
# FAPESP ?
# 'Functional and Structural Proteomics of the SARS Coronavirus' ?
# 'Hefei National Laboratory for Physical Sciences at Microscale' ?
# 'Institute of Genetics and Molecular and Cellular Biology-CNRS France' ?
# 'Institute of Zoology Beijing' ?
# 'IRB Barcelona' ?
# 'Magnetic Resonance Center' ?
# 'Membrane Protein Structures by NMR' ?
# 'Nanoworld Institute' ?
# 'Protein Research Group RIKEN Genomic Sciences Center' ?
# 'State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics' ?
# 'Structural Molecular Biology Network' ?
# 'University of Calcutta CU' ?
# 'University of Georgia' ?
#
# stop_
loop_
_item_examples.case
;
Berkeley Structural Genomics Center
;
stop_
save_
save__sg_project.initial_of_center
_item_description.description
;
The value identifies the center using initials or other abbreviation.
;
_item.name '_sg_project.initial_of_center'
_item.category_id 'sg_project'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
BIGS ?
BSGC ?
CESG ?
ISPC ?
JCSG ?
MSGP ?
MCSG ?
BSGI ?
XMTB ?
NYSGRC ?
NESG ?
OPPF ?
YSG ?
PSF ?
RSGI ?
SECSG ?
SGC ?
SGPP ?
SPINE ?
S2F ?
TBSGC ?
'RIKEN GSC' ?
CU ?
stop_
loop_
_item_examples.case
;
BSGC
;
stop_
save_
save__sg_project.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_sg_project.entry_id'
_item.category_id 'sg_project'
_item.mandatory_code yes
_item_type.code 'code'
save_
save_entry_src
_category.description
;
Items in the entry_src category describe the organization that is the source of the data in an entry.
;
_category.id 'entry_src'
_category.mandatory_code yes
loop_
_category_key.name
'_entry_src.id'
'_entry_src.entry_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entry_information'
stop_
save_
save__entry_src.id
_item_description.description
;
A unique integer identifier for this organization or project within the entry.
;
_item.name '_entry_src.id'
_item.category_id 'entry_src'
_item.mandatory_code yes
_item_type.code 'int'
loop_
_item_examples.case
;
1
;
stop_
save_
save__entry_src.project_name
_item_description.description
;
Name of the project under which the data reported in an entry was sponsored
or funded. This might be the title for a grant funding the research or the
name of the overall project defined by a granting agency.
;
_item.name '_entry_src.project_name'
_item.category_id 'entry_src'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
NIH Protein Structure Initiative
;
stop_
save_
save__entry_src.organization_full_name
_item_description.description
;
Name of the organization (company, research laboratory, etc.) that carried
out the research reported in the entry.
;
_item.name '_entry_src.organization_full_name'
_item.category_id 'entry_src'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
# loop_
# _item_enumeration.value
# _item_enumeration.detail
#
# BMRB/XML: Eliminated the following enumerations.
# 'Accelerated Technologies Center for Gene to 3D Structure' ?
# 'Assembly, Dynamics and Evolution of Cell-Cell and Cell-Matrix Adhesions' ?
# 'Architecture and Function of Biological Macromolecules Structure Genomics' ASG
# 'Atoms-to-Animals: The Immune Function Network' ?
# 'Bacterial targets at IGS-CNRS, France' ?
# 'Berkeley Structural Genomics Center' BSGC
# 'Center for Eukaryotic Structural Genomics' CESG
# 'Center for High-Throughput Structural Biology' ?
# 'Center for Membrane Proteins of Infectious Diseases' ?
# 'Center for Structural Genomics of Infectious Diseases' ?
# 'Center for Structures of Membrane Proteins' ?
# 'Center for the X-ray Structure Determination of Human Transporters' ?
# 'Chaperone-Enabled Studies of Epigenetic Regulation Enzymes' ?
# 'Enzyme Discovery for Natural Product Biosynthesis' ?
# 'GPCR Network' ?
# 'Integrated Center for Structure and Function Innovation' ?
# 'Israel Structural Proteomics Center' ?
# 'Joint Center for Structural Genomics' JCSG
# 'Marseilles Structural Genomics Program @ AFMB' ?
# 'Medical Structural Genomics of Pathogenic Protozoa' ?
# 'Membrane Protein Structural Biology Consortium' ?
# 'Membrane Protein Structures by Solution NMR' ?
# 'Midwest Center for Structural Genomics' MCSG
# 'Mitochondrial Protein Partnership' ?
# 'Montreal-Kingston Bacterial Structural Genomics Initiative' ?
# 'Mycobacterium Tuberculosis Structural Proteomics Project' ?
# 'New York Consortium on Membrane Protein Structure' ?
# 'New York SGX Research Center for Structural Genomics' ?
# 'New York Structural Genomics Research Consortium' NYSGRC
# 'New York Structural GenomiX Research Consortium' ?
# 'Northeast Structural Genomics Consortium' ?
# 'North West Structural Genomics Centre' NWSGC
# 'Nucleocytoplasmic Transport: a Target for Cellular Control' ?
# 'Ontario Centre for Structural Proteomics' ?
# 'Oxford Protein Production Facility' ?
# 'Paris-Sud Yeast Structural Genomics' ?
# 'Partnership for Stem Cell Biology' ?
# 'Partnership for T-Cell Biology' ?
# 'Program for the Characterization of Secreted Effector Proteins' ?
# 'Protein Structure Factory' ?
# 'RIKEN Structural Genomics/Proteomics Initiative' ?
# 'Scottish Structural Proteomics Facility' ?
# 'Seattle Structural Genomics Center for Infectious Disease' ?
# 'Southeast Collaboratory for Structural Genomics' ?
# 'Structural Genomics Consortium' ?
# 'Structural Genomics Consortium for Research on Gene Expression' ?
# 'Structural Genomics of Pathogenic Protozoa Consortium' ?
# 'Structural Proteomics in Europe' ?
# 'Structural Proteomics in Europe 2' ?
# 'Structure 2 Function Project' ?
# 'Structure, Dynamics and Activation Mechanisms of Chemokine Receptors' ?
# 'Structure-Function Studies of Tight Junction Membrane Proteins' ?
# 'Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors' ?
# 'TB Structural Genomics Consortium' ?
# 'Transcontinental EM Initiative for Membrane Protein Structure' ?
# 'Transmembrane Protein Center' ?
# 'Yeast Structural Genomics' YSG
#
# stop_
loop_
_item_examples.case
;
Wuthrich group; ETH
;
stop_
save_
save__entry_src.organization_initials
_item_description.description
;
Laboratory title or name or acronym for the organization where the research
was conducted. More than one organization can be provided.
;
_item.name '_entry_src.organization_initials'
_item.category_id 'entry_src'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
NESGC
;
stop_
save_
save__entry_src.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entry_src.entry_id'
_item.category_id 'entry_src'
_item.mandatory_code yes
_item_type.code 'code'
save_
save_struct_keywords
_category.description
;
Items in the struct_keywords category define keywords that describe the structure of the biomolecular system reported.
;
_category.id 'struct_keywords'
_category.mandatory_code yes
loop_
_category_key.name
'_struct_keywords.keywords'
'_struct_keywords.entry_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entry_information'
stop_
save_
save__struct_keywords.keywords
_item_description.description
;
Keywords describing the structure
;
_item.name '_struct_keywords.keywords'
_item.category_id 'struct_keywords'
_item.mandatory_code yes
_item_type.code 'line'
loop_
_item_examples.case
;
PROTEIN/RNA
;
stop_
save_
save__struct_keywords.text
_item_description.description
;
Keywords describing this structure.
;
_item.name '_struct_keywords.text'
_item.category_id 'struct_keywords'
_item.mandatory_code no
_item_type.code 'text'
loop_
_item_examples.case
;
inhibited complex
;
stop_
save_
save__struct_keywords.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_struct_keywords.entry_id'
_item.category_id 'struct_keywords'
_item.mandatory_code yes
_item_type.code 'code'
save_
save_data_set
_category.description
;
Items in the data_set category define the kinds of data and the number of data sets for each kind of data in the entry.
;
_category.id 'data_set'
_category.mandatory_code yes
loop_
_category_key.name
'_data_set.type'
'_data_set.entry_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entry_information'
stop_
save_
save__data_set.type
_item_description.description
;
The saveframe category type that contain quantitative data of the kind
that is summarized in this table. The enumerated list for this tag is a subset
of the full list of saveframe categories available in constructing an NMR-STAR file.
;
_item.name '_data_set.type'
_item.category_id 'data_set'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag yes
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
assigned_chemical_shifts ?
theoretical_chem_shifts ?
chem_shift_perturbation ?
chemical_rates ?
coupling_constants ?
theoretical_coupling_constants ?
spectral_peak_list ?
other_data_list ?
RDCs ?
order_parameters ?
dipolar_couplings ?
spectral_density_values ?
H_exch_rates ?
H_exch_protection_factors ?
pKa_value_data_set ?
pH_NMR_param_list ?
binding_constants ?
D_H_fractionation_factors ?
molecular_axis_determinations ?
deduced_secd_struct_features ?
deduced_hydrogen_bonds ?
representative_conformer ?
conformer_family_coord_set ?
general_relaxation ?
heteronucl_T1_relaxation ?
theoretical_heteronucl_T1_relaxation ?
heteronucl_T1rho_relaxation ?
heteronucl_T2_relaxation ?
theoretical_heteronucl_T2_relaxation ?
heteronucl_NOEs ?
theoretical_heteronucl_NOEs ?
homonucl_NOEs ?
dipole_dipole_relaxation ?
dipole_dipole_cross_correlations ?
theoretical_dipole_dipole_cross_correlations ?
CSA_CSA_cross_correlation_relaxation ?
dipole_CSA_cross_correlation_relaxation ?
# BMRB/XML added pH_titration
pH_titration ?
stop_
loop_
_item_examples.case
;
assigned_chemical_shifts
;
stop_
save_
save__data_set.count
_item_description.description
;
The integer number of saveframes in the entry that are of the type given
by the value to the tag '_Saveframe_category_type' in this loop.
;
_item.name '_data_set.count'
_item.category_id 'data_set'
_item.mandatory_code yes
_item_type.code 'int'
loop_
_item_examples.case
;
2
;
stop_
save_
save__data_set.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_data_set.entry_id'
_item.category_id 'data_set'
_item.mandatory_code yes
_item_type.code 'code'
save_
save_datum
_category.description
;
Items in the datum category define the types of datum in the entry and the quantity of each type.
;
_category.id 'datum'
_category.mandatory_code yes
loop_
_category_key.name
'_datum.type'
'_datum.entry_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entry_information'
stop_
save_
save__datum.type
_item_description.description
;
A type of quantitative data found in the entry.
;
_item.name '_datum.type'
_item.category_id 'datum'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag yes
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
'1H chemical shifts' ?
'2H chemical shifts' ?
'3H chemical shifts' ?
'13C chemical shifts' ?
'15N chemical shifts' ?
'31P chemical shifts' ?
'111Cd chemical shifts' ?
'113Cd chemical shifts' ?
'theoretical 1H chemical shifts' ?
'theoretical 13C chemical shifts' ?
'theoretical 15N chemical shifts' ?
'chemical rates' ?
'coupling constants' ?
'theoretical coupling constants' ?
'chemical shift isotope effects' ?
'chemical shift perturbation values' ?
'T1 relaxation values' ?
'theoretical T1 relaxation values' ?
'T1rho relaxation values' ?
'T2 relaxation values' ?
'theoretical T2 relaxation values' ?
'dipole-dipole relaxation values' ?
'dipole-dipole cross correlation relaxation values' ?
'theoretical dipole-dipole cross-correlation values' ?
'chemical shift anisotropy values' ?
'chemical shift anisotropy tensor values' ?
'quadrupolar couplings' ?
'theoretical chemical shifts' ?
'chemical shift tensors' ?
'residual dipolar couplings' ?
'dipolar coupling values' ?
'dipolar coupling tensor values' ?
'heteronuclear NOE values' ?
'theoretical heteronuclear NOE values' ?
'homonuclear NOE values' ?
'order parameters' ?
'spectral density values' ?
'H exchange rates' ?
'H exchange protection factors' ?
'pKa values' ?
'pH NMR parameter values' ?
'binding constants' ?
'D/H fractionation factors' ?
'bond orientation values' ?
'deduced secondary structure values' ?
'deduced hydrogen bonds' ?
'distance constraints' ?
'ambiguous distance constraints' ?
'hydrogen bond distance constraints' ?
'torsion angle constraints' ?
'chemical shift constraints' ?
'symmetry constraints' ?
'19F chemical shifts' ?
'6Li chemical shifts' ?
'10B chemical shifts' ?
'11B chemical shifts' ?
'17O chemical shifts' ?
'23Na chemical shifts' ?
'29Si chemical shifts' ?
'35Cl chemical shifts' ?
'129Xe chemical shifts' ?
'195Pt chemical shifts' ?
# BMRB/XML: Added na.
na ?
stop_
loop_
_item_examples.case
;
1H chemical shifts
;
stop_
save_
save__datum.count
_item_description.description
;
An integer representing the total number of values of the type defined
by the value to the tag '_Data_type' found in all saveframes in the current entry.
;
_item.name '_datum.count'
_item.category_id 'datum'
_item.mandatory_code yes
_item_type.code 'int'
loop_
_item_examples.case
;
981
;
stop_
save_
save__datum.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_datum.entry_id'
_item.category_id 'datum'
_item.mandatory_code yes
_item_type.code 'code'
save_
save_release
_category.description
;
Items in the release category provide the release history for an entry.
;
_category.id 'release'
_category.mandatory_code yes
loop_
_category_key.name
'_release.release_number'
'_release.entry_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entry_information'
stop_
save_
save__release.release_number
_item_description.description
;
Unique code assigned to each release of an entry
;
_item.name '_release.release_number'
_item.category_id 'release'
_item.mandatory_code yes
_item_type.code 'int'
loop_
_item_examples.case
;
1
;
stop_
save_
save__release.format_type
_item_description.description
;
The format of the file that the entry is in when released.
;
_item.name '_release.format_type'
_item.category_id 'release'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag yes
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
NMR-STAR ?
XML ?
stop_
save_
save__release.format_version
_item_description.description
;
The version assigned to the format of the file that the entry is in at
the tiem of release.
;
_item.name '_release.format_version'
_item.category_id 'release'
_item.mandatory_code no
_item_type.code 'line'
save_
save__release.date
_item_description.description
;
Date entry was released.
;
_item.name '_release.date'
_item.category_id 'release'
_item.mandatory_code yes
_item_type.code 'yyyy-mm-dd'
loop_
_item_examples.case
;
2004-02-29
;
stop_
save_
save__release.submission_date
_item_description.description
;
Date the entry or an update to the entry was submitted to BMRB.
;
_item.name '_release.submission_date'
_item.category_id 'release'
_item.mandatory_code no
_item_type.code 'yyyy-mm-dd'
loop_
_item_examples.case
;
2004-02-29
;
stop_
save_
save__release.type
_item_description.description
;
Value describing with a key word the type of entry that was released.
;
_item.name '_release.type'
_item.category_id 'release'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
original 'First release of the data to the public.'
na 'not available'
update ?
revision 'not used now as it is redundant with update aa all revisions are updates'
reformat 'reformatted for new format specification'
stop_
loop_
_item_examples.case
;
original
;
stop_
save_
save__release.author
_item_description.description
;
A keyword indicating the type of author of the release.
;
_item.name '_release.author'
_item.category_id 'release'
_item.mandatory_code yes
_item_type.code 'line'
loop_
_item_examples.case
;
author
;
stop_
save_
save__release.detail
_item_description.description
;
Text describing the changes made to the entry.
;
_item.name '_release.detail'
_item.category_id 'release'
_item.mandatory_code no
_item_type.code 'text'
loop_
_item_examples.case
;
Oringinal entry release
;
stop_
save_
save__release.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_release.entry_id'
_item.category_id 'release'
_item.mandatory_code yes
_item_type.code 'code'
save_
save_related_entries
_category.description
;
Items in the related_entries category provide a list of entries that are related to the present entry. The related entries may or may not be members of a study that includes the present entry.
;
_category.id 'related_entries'
_category.mandatory_code yes
loop_
_category_key.name
'_related_entries.database_name'
'_related_entries.database_accession_code'
'_related_entries.entry_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entry_information'
stop_
save_
save__related_entries.database_name
_item_description.description
;
Name or acronym for a database that has an entry related to the current
BMRB entry.
;
_item.name '_related_entries.database_name'
_item.category_id 'related_entries'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag yes
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
BMRB 'BioMagResBank'
BMRB(withdrawn) ?
PDB 'Protein Databank'
TargetDB 'Target registration database'
EMDB 'Electron Microscopy Volume Data Bank'
BMCD 'Biological Macromolecule Crystallization Database'
GB 'GenBank'
DBJ 'DNA Data Bank of Japan'
EMBL 'European Molecular Biology Laboratory'
NCBI ?
PIR 'Protein Information Resource'
REF 'NCBI Reference Sequence'
SGD 'Saccharomyces Genome Database'
SP 'UniProtKB/Swiss-Prot'
# BMRB/XML Added Pfam, InterPro and Taxonomy
Pfam ?
InterPro ?
Taxonomy ?
stop_
loop_
_item_examples.case
;
BMRB; PDB
;
stop_
save_
save__related_entries.database_accession_code
_item_description.description
;
Entry code for an existing entry from the database defined by the tag '_Related_entry.Database_name'
that is related to the current BMRB entry.
;
_item.name '_related_entries.database_accession_code'
_item.category_id 'related_entries'
_item.mandatory_code yes
_item_type.code 'code'
loop_
_item_examples.case
;
4038; 1brv
;
stop_
save_
save__related_entries.relationship
_item_description.description
;
Text describing the relationship between the current BMRB entry and the
entry with the corresponding BMRB accession number given as a value to the tag
'_Related_BMRB_accession_number.'
;
_item.name '_related_entries.relationship'
_item.category_id 'related_entries'
_item.mandatory_code no
_item_type.code 'text'
loop_
_item_examples.case
;
Entry containing coupling constants for this molecular system.
;
stop_
save_
save__related_entries.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_related_entries.entry_id'
_item.category_id 'related_entries'
_item.mandatory_code yes
_item_type.code 'code'
save_
save_matched_entries
_category.description
;
Items in the matched_entries category provide a list of entries from databases that are matched representing that the data in the entries came from the same experimental study and the same publication.
;
_category.id 'matched_entries'
_category.mandatory_code yes
loop_
_category_key.name
'_matched_entries.database_name'
'_matched_entries.database_accession_code'
'_matched_entries.entry_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entry_information'
stop_
save_
save__matched_entries.database_name
_item_description.description
;
Name or acronym for a database that has an entry that is a direct match
(usually a PDB entry) to the current BMRB entry.
;
_item.name '_matched_entries.database_name'
_item.category_id 'matched_entries'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
PDB ?
stop_
loop_
_item_examples.case
;
PDB
;
stop_
save_
save__matched_entries.database_accession_code
_item_description.description
;
Entry code for an existing entry from the database defined by the tag '_Matched_entries.Database_name'
that is a direct match to the current BMRB entry.
;
_item.name '_matched_entries.database_accession_code'
_item.category_id 'matched_entries'
_item.mandatory_code yes
_item_type.code 'code'
loop_
_item_examples.case
;
1BRV
;
stop_
save_
save__matched_entries.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_matched_entries.entry_id'
_item.category_id 'matched_entries'
_item.mandatory_code yes
_item_type.code 'code'
loop_
_item_examples.case
;
16034
;
stop_
save_
save_auxiliary_files
_category.description
;
Items in the auxiliary_files category provide information on a list of files available from BMRB that contain information directly related to the entry (e.g. validation reports, software scripts, data in the original format, and others).
;
_category.id 'auxiliary_files'
_category.mandatory_code yes
loop_
_category_key.name
'_auxiliary_files.id'
'_auxiliary_files.entry_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entry_information'
stop_
save_
save__auxiliary_files.id
_item_description.description
;
The '_Auxiliary_files.ID' value uniquely identifies the row of information
describing an auxilary file related to the entry.
;
_item.name '_auxiliary_files.id'
_item.category_id 'auxiliary_files'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__auxiliary_files.name
_item_description.description
;
Name of the file.
;
_item.name '_auxiliary_files.name'
_item.category_id 'auxiliary_files'
_item.mandatory_code no
_item_type.code 'line'
save_
save__auxiliary_files.format
_item_description.description
;
The file format for the defined auxiliary file.
;
_item.name '_auxiliary_files.format'
_item.category_id 'auxiliary_files'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__auxiliary_files.uri
_item_description.description
;
A universal resource identifier value for the auxiliary file.
;
_item.name '_auxiliary_files.uri'
_item.category_id 'auxiliary_files'
_item.mandatory_code no
_item_type.code 'line'
save_
save__auxiliary_files.doi
_item_description.description
;
A digital object identifier for the defined auxiliary file for the entry.
;
_item.name '_auxiliary_files.doi'
_item.category_id 'auxiliary_files'
_item.mandatory_code no
_item_type.code 'line'
save_
save__auxiliary_files.path
_item_description.description
;
The path and file name for the auxiliary file locate at BMRB.
;
_item.name '_auxiliary_files.path'
_item.category_id 'auxiliary_files'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__auxiliary_files.details
_item_description.description
;
Text providing additional information about the auxiliary file.
;
_item.name '_auxiliary_files.details'
_item.category_id 'auxiliary_files'
_item.mandatory_code no
_item_type.code 'text'
save_
save__auxiliary_files.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_auxiliary_files.entry_id'
_item.category_id 'auxiliary_files'
_item.mandatory_code yes
_item_type.code 'code'
save_
save_citation
_category.description
;
Items in the citation category capture information common to all citations.
;
_category.id 'citation'
_category.mandatory_code yes
loop_
_category_key.name
'_citation.entry_id'
'_citation.id'
stop_
loop_
_category_group.id
'inclusive_group'
'citations'
stop_
save_
save__citation.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_citation.sf_category'
_item.category_id 'citation'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__citation.sf_framecode
_item_description.description
;
A label that uniquely identifies the citation from other citations in the entry.
;
_item.name '_citation.sf_framecode'
_item.category_id 'citation'
_item.mandatory_code yes
_item_type.code 'framecode'
_item_default.value 'entry_citation'
loop_
_item_examples.case
;
citation 1
;
stop_
save_
save__citation.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_citation.entry_id'
_item.category_id 'citation'
_item.mandatory_code yes
_item_type.code 'code'
loop_
_item_examples.case
;
citation
;
stop_
save_
save__citation.id
_item_description.description
;
A value that uniquely identifies the citation from all other citations
provided in the entry.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_citation.id' 'citation' yes
'_citation_author.citation_id' 'citation_author' yes
'_citation_keyword.citation_id' 'citation_keyword' yes
'_citation_editor.citation_id' 'citation_editor' yes
'_assembly_citation.citation_id' 'assembly_citation' yes
'_subsystem_citation.citation_id' 'subsystem_citation' yes
'_entity_citation.citation_id' 'entity_citation' yes
'_entity_natural_src.citation_id' 'entity_natural_src' yes
'_entity_experimental_src.citation_id' 'entity_experimental_src' yes
'_characteristic.citation_id' 'characteristic' yes
'_chem_comp_citation.citation_id' 'chem_comp_citation' yes
'_sample.crystal_grow_method_cit_id' 'sample' yes
'_sample.crystal_grow_seeding_cit_id' 'sample' yes
'_sample_citation.citation_id' 'sample_citation' yes
'_sample_condition_citation.citation_id' 'sample_condition_citation' yes
'_entity_purity_citation.citation_id' 'entity_purity_citation' yes
'_software_citation.citation_id' 'software_citation' yes
'_method_citation.citation_id' 'method_citation' yes
'_mass_spec_citation.citation_id' 'mass_spec_citation' yes
'_mass_spectrometer_view.citation_id' 'mass_spectrometer_view' yes
'_nmr_spectrometer_citation.citation_id' 'nmr_spectrometer_citation' yes
'_nmr_spectrometer_view.citation_id' 'nmr_spectrometer_view' yes
'_nmr_spectrometer_probe_citation.citation_id' 'nmr_spectrometer_probe_citation' yes
'_nmr_experiment_citation.citation_id' 'nmr_experiment_citation' yes
'_computer_citation.citation_id' 'computer_citation' yes
'_chem_shift_ref.indirect_shift_ratio_cit_id' 'chem_shift_ref' yes
'_chem_shift_ref.correction_val_cit_id' 'chem_shift_ref' yes
'_h_exch_protection_factor_list.std_values_source_cit_id' 'h_exch_protection_factor_list' yes
'_karplus_equation.citation_id' 'karplus_equation' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_citation_author.citation_id' '_citation.id'
'_citation_keyword.citation_id' '_citation.id'
'_citation_editor.citation_id' '_citation.id'
'_assembly_citation.citation_id' '_citation.id'
'_subsystem_citation.citation_id' '_citation.id'
'_entity_citation.citation_id' '_citation.id'
'_entity_natural_src.citation_id' '_citation.id'
'_entity_experimental_src.citation_id' '_citation.id'
'_characteristic.citation_id' '_citation.id'
'_chem_comp_citation.citation_id' '_citation.id'
'_sample.crystal_grow_method_cit_id' '_citation.id'
'_sample.crystal_grow_seeding_cit_id' '_citation.id'
'_sample_citation.citation_id' '_citation.id'
'_sample_condition_citation.citation_id' '_citation.id'
'_entity_purity_citation.citation_id' '_citation.id'
'_software_citation.citation_id' '_citation.id'
'_method_citation.citation_id' '_citation.id'
'_mass_spec_citation.citation_id' '_citation.id'
'_mass_spectrometer_view.citation_id' '_citation.id'
'_nmr_spectrometer_citation.citation_id' '_citation.id'
'_nmr_spectrometer_view.citation_id' '_citation.id'
'_nmr_spectrometer_probe_citation.citation_id' '_citation.id'
'_nmr_experiment_citation.citation_id' '_citation.id'
'_computer_citation.citation_id' '_citation.id'
'_chem_shift_ref.indirect_shift_ratio_cit_id' '_citation.id'
'_chem_shift_ref.correction_val_cit_id' '_citation.id'
'_h_exch_protection_factor_list.std_values_source_cit_id' '_citation.id'
'_karplus_equation.citation_id' '_citation.id'
stop_
_item_type.code 'int'
save_
save__citation.name
_item_description.description
;
A name assigned to the save frame.
;
_item.name '_citation.name'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
citation 1
;
stop_
save_
save__citation.class
_item_description.description
;
Keyword defining the citation as the key citation for the entry or a citation
used as a referenece in the entry.
;
_item.name '_citation.class'
_item.category_id 'citation'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag yes
_item_type.code 'line'
_item_default.value 'entry citation'
loop_
_item_enumeration.value
_item_enumeration.detail
'entry citation' ?
'reference citation' ?
stop_
loop_
_item_examples.case
;
entry citation
;
stop_
save_
save__citation.cas_abstract_code
_item_description.description
;
Code from the Chemical Abstract Services assigned to this citation.
;
_item.name '_citation.cas_abstract_code'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'code'
save_
save__citation.medline_ui_code
_item_description.description
;
MEDLINE uniform identification code assigned to the publication described
in the saveframe.
;
_item.name '_citation.medline_ui_code'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'code'
save_
save__citation.doi
_item_description.description
;
The digital object identifier assigned to the citation.
;
_item.name '_citation.doi'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
10.1000/182
;
stop_
save_
save__citation.pubmed_id
_item_description.description
;
The identification code assigned to the publication by PubMed. If this
code is available no other information regarding the publication needs to be entered
in the deposition.
;
_item.name '_citation.pubmed_id'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
12815265
;
stop_
save_
save__citation.full_citation
_item_description.description
;
Full publication citation including authors title journal page numbers
year or equivalent information for the type of publication given.
;
_item.name '_citation.full_citation'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'text'
save_
save__citation.title
_item_description.description
;
Title for the publication.
;
_item.name '_citation.title'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'text'
loop_
_item_examples.case
;
'1H and 15N Assigned Chemical Shifts for RNase A'
;
stop_
save_
save__citation.status
_item_description.description
;
Status for the current publication (in preparation submitted in press published)
;
_item.name '_citation.status'
_item.category_id 'citation'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag yes
_item_type.code 'line'
_item_default.value 'in preparation'
loop_
_item_enumeration.value
_item_enumeration.detail
'in preparation' ?
submitted ?
'in press' ?
published ?
retracted ?
na ?
stop_
loop_
_item_examples.case
;
submitted
;
stop_
save_
save__citation.type
_item_description.description
;
Descriptive word that defines the kind of publication reported (journal;
book; thesis; etc.)
;
_item.name '_citation.type'
_item.category_id 'citation'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag yes
_item_type.code 'line'
_item_default.value 'journal'
loop_
_item_enumeration.value
_item_enumeration.detail
journal ?
book ?
'book chapter' ?
thesis ?
abstract ?
'personal communication' ?
internet ?
'BMRB only' ?
'other publication' ?
stop_
loop_
_item_examples.case
;
journal
;
stop_
save_
save__citation.journal_abbrev
_item_description.description
;
Standard abbreviation for journals used by the Chemical Abstract Services.
Depositors are required to provide a value for this field. If the data in
the deposition are related to a JBNMR paper, the value must be 'J. Biol. NMR' to
alert the BMRB annotators so that the deposition is properly processed. If the
depositor truly does not know the journal a value of 'not known' is acceptable.
;
_item.name '_citation.journal_abbrev'
_item.category_id 'citation'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
# loop_
# _item_enumeration.value
# _item_enumeration.detail
#
# BMRB/XML: Eliminated the following enumerations.
# BMRB/XML: Replaced enumerations based on BMRB entries.
# 'Not known' ?
# 'Acc Chem. Res.' ?
# 'ACS Chem. Biol.' ?
# 'Acta Biochim. Biophys. Sin. (Shanghai).' ?
# 'Acta Crystallogr. D. Biol. Crystallogr.' ?
# 'Acta Crystallogr. Sect. F. Struct. Biol. Cryst. Commun.' ?
# 'Acta Naturae' ?
# 'Adv. Protein Chem.' ?
# 'Am. J. Ophthalmol.' ?
# 'Amino Acids' ?
# 'Anal. Biochem.' ?
# 'Angew. Chem Int Ed Engl.' ?
# 'Annu. Rev. Neurosci.' ?
# 'Antimicrob. Agents Chemother.' ?
# 'Antisense Res. Dev.' ?
# 'Antioxid. Redox Signal.' ?
# 'Antiviral Res.' ?
# 'Appl. Environ. Microbiol.' ?
# 'Appl. Microbiol. Biotechnol.' ?
# 'Archaea' ?
# 'Arch. Biochem. Biophys.' ?
# 'Biochem. Biophys. Res. Commun.' ?
# 'Biochem. Cell Biol.' ?
# 'Biochemistry' ?
# 'Biochem. Int.' ?
# 'Biochem. J.' ?
# 'Biochem. Pharmacol.' ?
# 'Biochem. Soc. Trans.' ?
# 'Biochim. Biophys. Acta' ?
# 'Biochimie' ?
# 'Bioconjug. Chem.' ?
# 'Bioinformatics' ?
# 'Biol. Chem.' ?
# 'Biol. Pharm. Bull.' ?
# 'Biomacromolecules' ?
# 'Biomol. NMR Assign.' ?
# 'Bioorg. Chem.' ?
# 'Bioorg. Khim.' ?
# 'Bioorg. Med. Chem.' ?
# 'Biophys. Chem.' ?
# 'Biophys. J.' ?
# 'Biopolymers' ?
# 'Biosci. Rep.' ?
# 'Biotechniques' ?
# 'Biotechnology. (N Y).' ?
# 'Blood' ?
# 'BMB Rep.' ?
# 'BMC Bioinformatics' ?
# 'BMC Biol.' ?
# 'BMC Biophys.' ?
# 'BMC Evol. Biol.' ?
# 'BMC Microbiol.' ?
# 'BMC Struct. Biol.' ?
# 'Br. J. Hosp. Med.' ?
# 'Br. J. Pharmacol.' ?
# 'Cancer Cell' ?
# 'Cancer. Res.' ?
# 'Carcinogenesis' ?
# 'Cell' ?
# 'Cell Biochem. Biophys.' ?
# 'Cell Cycle' ?
# 'Cell. Microbiol.' ?
# 'Cell. Mol. Life Sci.' ?
# 'Cell Regul.' ?
# 'Cell Rep.' ?
# 'Cell Res.' ?
# 'Chembiochem.' ?
# 'Chem. Biodivers.' ?
# 'Chem. Biol.' ?
# 'Chem. Biol. Drug Des.' ?
# 'Chem. Commun. (Camb).' ?
# 'Chemistry' ?
# 'ChemMedChem' ?
# 'Chem. Res. Toxicol.' ?
# 'Chem. Senses' ?
# 'Cold Spring Harb. Symp. Quant. Biol.' ?
# 'Crit. Rev. Biochem. Mol. Biol.' ?
# 'Curr. Biol.' ?
# 'Curr. Opin. Cell Biol.' ?
# 'Curr. Opin. Struct. Biol.' ?
# 'Dev. Cell' ?
# 'Dev. Comp. Immunol.' ?
# 'Development' ?
# 'DNA Repair (Amst).' ?
# 'DNA Res.' ?
# 'Elife' ?
# 'EMBO J.' ?
# 'EMBO Rep.' ?
# 'Environ. Microbiol.' ?
# 'Epigenetics. Chromatin' ?
# 'Eur. Biophys. J.' ?
# 'Eur. J. Biochem.' ?
# 'Exp. Cell Res.' ?
# 'Exp. Eye Res.' ?
# 'Expert Opin. Biol. Ther.' ?
# 'Extremophiles.' ?
# 'FASEB J.' ?
# 'FEBS J.' ?
# 'FEBS Lett.' ?
# 'FEBS Open Bio' ?
# 'Fertil. Steril.' ?
# 'Front. Mol. Neurosci.' ?
# 'Gene' ?
# 'Genes. Cells.' ?
# 'Genes. Chromosomes. Cancer' ?
# 'Genes. Dev.' ?
# 'Genome Res.' ?
# 'Glycobiology' ?
# 'Glycoconj. J.' ?
# 'Growth Factors' ?
# 'Growth. Horm. IGF Res.' ?
# 'Hepatology' ?
# 'Immunity' ?
# 'Immunobiology' ?
# 'Infect. Immun.' ?
# 'Inorg. Chem.' ?
# 'Insect Biochem. Mol. Biol.' ?
# 'Int. J. Biochem. Cell Biol.' ?
# 'Int. J. Biol. Macromol.' ?
# 'Int. J. Mol. Sci.' ?
# 'Int. J. Oncol.' ?
# 'Int. J. Pept. Protein Res.' ?
# 'IUBMB Life' ?
# 'J. Am. Chem. Soc.' ?
# 'J. Antibiot. (Tokyo).' ?
# 'J. Bacteriol.' ?
# 'J. Biochem.' ?
# 'J. Biochem. Mol. Biol.' ?
# 'J. Bioenerg. Biomembr.' ?
# 'J. Biol. Chem.' ?
# 'J. Biol. Inorg. Chem.' ?
# 'J. Biomed. Sci.' ?
# 'J. Biomol. NMR' ?
# 'J. Biomol. Struct. Dyn.' ?
# 'J. Biotechnol.' ?
# 'J. Cell Biol.' ?
# 'J. Cell. Physiol.' ?
# 'J. Chem. Phys.' ?
# 'J. Chromatogr. B. Biomed. Sci. Appl.' ?
# 'J. Comb. Chem.' ?
# 'J. Control. Release.' ?
# 'J. Exp. Biol.' ?
# 'J. Exp. Med.' ?
# 'J. Gen. Microbiol.' ?
# 'J. Immunol.' ?
# 'J. Inorg. Biochem.' ?
# 'J. Leukoc. Biol.' ?
# 'J. Lipid Res.' ?
# 'J. Magn. Reson.' ?
# 'J. Med. Chem.' ?
# 'J. Mol. Biol.' ?
# 'J. Mol. Cell Biol.' ?
# 'J. Mol. Cell. Cardiol.' ?
# 'J. Mol. Microbiol. Biotechnol.' ?
# 'J. Mol. Recognit.' ?
# 'J. Nat. Prod.' ?
# 'J. Neurosci.' ?
# 'J. Pept. Res.' ?
# 'J. Pept. Sci.' ?
# 'J. Pharm. Biomed. Anal.' ?
# 'J. Phys. Chem. B' ?
# 'J. Phys. Chem. Lett.' ?
# 'J. Protein Chem.' ?
# 'J. R. Soc. Interface.' ?
# 'J. Struct. Biol.' ?
# 'J. Struct. Funct. Genomics' ?
# 'J. Virol.' ?
# 'Lancet' ?
# 'Langmuir.' ?
# 'Magn. Reson. Chem.' ?
# 'Matrix Biol.' ?
# 'Mech. Ageing Dev.' ?
# 'Med. Sci. Sports Exerc.' ?
# 'Metabolomics.' ?
# 'Metallomics.' ?
# 'Methods' ?
# 'Methods. Enzymol.' ?
# 'Methods. Mol. Biol.' ?
# 'Microbiology' ?
# 'Mol. Biochem. Parasitol.' ?
# 'Mol. Biol. Cell' ?
# 'Mol. Biol. Evol.' ?
# 'Mol. Biol (Mosk).' ?
# 'Mol. Cell' ?
# 'Mol. Cell. Biochem.' ?
# 'Mol. Cell. Biol.' ?
# 'Mol. Cell. Neurosci.' ?
# 'Mol. Cell. Proteomics.' ?
# 'Mol. Cells' ?
# 'Molecules' ?
# 'Mol. Endocrinol.' ?
# 'Mol. Gen. Genet.' ?
# 'Mol. Immunol.' ?
# 'Mol. Metab.' ?
# 'Mol. Microbiol.' ?
# 'Mol. Pharm.' ?
# 'Mol. Pharmacol.' ?
# 'Mol. Plant' ?
# 'Mol. Plant. Microbe Interact.' ?
# 'Mol. Vis.' ?
# 'Nat. Cell Biol.' ?
# 'Nat. Chem.' ?
# 'Nat. Chem. Biol.' ?
# 'Nat. Commun.' ?
# 'Nat. Genet.' ?
# 'Nat. Methods' ?
# 'Nat. Struct. Biol.' ?
# 'Nat. Struct. Mol. Biol.' ?
# 'Nature' ?
# 'Neurochem. Int.' ?
# 'Neuron' ?
# 'Neurosurgery' ?
# 'Nucleic Acids Res.' ?
# 'Nucleosides. Nucleotides. Nucleic Acids' ?
# 'Oncogene' ?
# 'Open Biol.' ?
# 'Open Spectrosc. J.' ?
# 'Org. Biomol. Chem.' ?
# 'PeerJ' ?
# 'Peptides' ?
# 'Pharmacol. Ther.' ?
# 'Philos. Trans. R. Soc. Lond. B. Biol. Sci.' ?
# 'Plant Cell' ?
# 'Plant J.' ?
# 'Plant Physiol.' ?
# 'PLoS Biol.' ?
# 'PLoS Comput. Biol.' ?
# 'PLoS Negl. Trop. Dis.' ?
# 'PLoS One' ?
# 'PLoS Pathog.' ?
# 'Proc. Natl. Acad. Sci. U. S. A.' ?
# 'Protein. Cell' ?
# 'Protein Eng.' ?
# 'Protein Eng. Des. Sel.' ?
# 'Protein Expr. Purif.' ?
# 'Protein Pept. Lett.' ?
# 'Proteins' ?
# 'Protein Sci.' ?
# 'Proteomics' ?
# 'Regul. Pept.' ?
# 'Retrovirology' ?
# 'RNA' ?
# 'RNA Biol.' ?
# 'RSC Adv.' ?
# 'Sci. China. B.' ?
# 'Science' ?
# 'Sci. Rep.' ?
# 'Sci. Signal.' ?
# 'Sheng Wu Hua Xue Yu Sheng Wu Wu Li Xue Bao. (Shanghai).' ?
# 'Silence' ?
# 'Spectrochim. Acta. A. Mol. Biomol. Spectrosc.' ?
# 'Structure' ?
# 'Toxicon.' ?
# 'Toxins (Basel).' ?
# 'Trends. Biochem. Sci.' ?
# 'Tuberculosis (Edinb).' ?
# 'Vaccine' ?
# 'Virology' ?
# 'Viruses' ?
#
# stop_
loop_
_item_examples.case
;
J. Biomol. NMR
;
stop_
save_
save__citation.journal_name_full
_item_description.description
;
Full name used by the journal.
;
_item.name '_citation.journal_name_full'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
Journal of Biomolecular NMR
;
stop_
save_
save__citation.journal_volume
_item_description.description
;
Volume designation used by the journal.
;
_item.name '_citation.journal_volume'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
23
;
stop_
save_
save__citation.journal_issue
_item_description.description
;
Issue designation used by the journal.
;
_item.name '_citation.journal_issue'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
4
;
stop_
save_
save__citation.journal_astm
_item_description.description
;
ASTM identification code for the journal.
;
_item.name '_citation.journal_astm'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'line'
save_
save__citation.journal_issn
_item_description.description
;
An International Standard Serial Number (ISSN) is a unique eight-digit
number used to identify a print or electronic periodical publication.
;
_item.name '_citation.journal_issn'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'line'
save_
save__citation.journal_csd
_item_description.description
;
CSD identification code for the journal.
;
_item.name '_citation.journal_csd'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'line'
save_
save__citation.book_title
_item_description.description
;
The name of the book where the citation is located.
;
_item.name '_citation.book_title'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'text'
loop_
_item_examples.case
;
NMR Studies of Calcium Binding Proteins
;
stop_
save_
save__citation.book_chapter_title
_item_description.description
;
Title of the chapter from the book
;
_item.name '_citation.book_chapter_title'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'text'
loop_
_item_examples.case
;
Calmodulin
;
stop_
save_
save__citation.book_volume
_item_description.description
;
Volume designation for the book.
;
_item.name '_citation.book_volume'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
2
;
stop_
save_
save__citation.book_series
_item_description.description
;
Series designation for the book
;
_item.name '_citation.book_series'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
12
;
stop_
save_
save__citation.book_publisher
_item_description.description
;
Publisher of the book
;
_item.name '_citation.book_publisher'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
Wiley & Sons
;
stop_
save_
save__citation.book_publisher_city
_item_description.description
;
City where the book publisher is located
;
_item.name '_citation.book_publisher_city'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
New York
;
stop_
save_
save__citation.book_isbn
_item_description.description
;
ISBN code assigned to the book.
;
_item.name '_citation.book_isbn'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'line'
save_
save__citation.conference_title
_item_description.description
;
Title of the conference
;
_item.name '_citation.conference_title'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
Frontiers in NMR VI
;
stop_
save_
save__citation.conference_site
_item_description.description
;
Site of the conference, city, resort, etc.
;
_item.name '_citation.conference_site'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
Keystone
;
stop_
save_
save__citation.conference_state_province
_item_description.description
;
State, province, etc. where conference took place
;
_item.name '_citation.conference_state_province'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
Colorado
;
stop_
save_
save__citation.conference_country
_item_description.description
;
Country where conference was located
;
_item.name '_citation.conference_country'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
USA
;
stop_
save_
save__citation.conference_start_date
_item_description.description
;
Date conference began
;
_item.name '_citation.conference_start_date'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'yyyy-mm-dd'
loop_
_item_examples.case
;
1998-02-09
;
stop_
save_
save__citation.conference_end_date
_item_description.description
;
Date conference ended
;
_item.name '_citation.conference_end_date'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'yyyy-mm-dd'
loop_
_item_examples.case
;
1998-02-15
;
stop_
save_
save__citation.conference_abstract_number
_item_description.description
;
Code assigned to the conference abstract
;
_item.name '_citation.conference_abstract_number'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
125
;
stop_
save_
save__citation.thesis_institution
_item_description.description
;
Academic or research institution that granted the degree awarded for the
thesis cited in the saveframe.
;
_item.name '_citation.thesis_institution'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
Purdue University
;
stop_
save_
save__citation.thesis_institution_city
_item_description.description
;
City where the institution awarding the degree is located.
;
_item.name '_citation.thesis_institution_city'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
West Lafayette
;
stop_
save_
save__citation.thesis_institution_country
_item_description.description
;
Country where the institution awarding the degree is located.
;
_item.name '_citation.thesis_institution_country'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
USA
;
stop_
save_
save__citation.www_url
_item_description.description
;
A World Wide Web universal locator that identifies the location of the
cited material on the WWW.
;
_item.name '_citation.www_url'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'text'
save_
save__citation.page_first
_item_description.description
;
First page of the published article
;
_item.name '_citation.page_first'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
123
;
stop_
save_
save__citation.page_last
_item_description.description
;
Last page of the published article
;
_item.name '_citation.page_last'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
145
;
stop_
save_
save__citation.year
_item_description.description
;
Calendar year when the article was published.
;
_item.name '_citation.year'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
2003
;
stop_
save_
save__citation.details
_item_description.description
;
Additional information relevant to the data in the current saveframe or
to a specific data item is entered as a value to this tag. The information entered
must supplement information already present. Whenever possible data should
associated with specific data tags and not included in the value to a '_Details' tag.
;
_item.name '_citation.details'
_item.category_id 'citation'
_item.mandatory_code no
_item_type.code 'text'
loop_
_item_examples.case
;
The first and second authors contributed equally to this publication.
;
stop_
save_
save_citation_author
_category.description
;
Items in the citation_author category define the authors and the order of the names for a citation.
;
_category.id 'citation_author'
_category.mandatory_code yes
loop_
_category_key.name
'_citation_author.ordinal'
'_citation_author.entry_id'
'_citation_author.citation_id'
stop_
loop_
_category_group.id
'inclusive_group'
'citations'
stop_
save_
save__citation_author.ordinal
_item_description.description
;
Integer value defining the position of the author's name in the list of authors.
;
_item.name '_citation_author.ordinal'
_item.category_id 'citation_author'
_item.mandatory_code yes
_item_type.code 'int'
loop_
_item_examples.case
;
1
;
stop_
save_
save__citation_author.given_name
_item_description.description
;
The name given the author at birth or currently used by the author for
publication purposes. Can be an initial if the author uses a second name as a full
name when publishing.
;
_item.name '_citation_author.given_name'
_item.category_id 'citation_author'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
John
;
stop_
save_
save__citation_author.family_name
_item_description.description
;
The family name of the author.
;
_item.name '_citation_author.family_name'
_item.category_id 'citation_author'
_item.mandatory_code yes
_item_type.code 'line'
loop_
_item_examples.case
;
Doe
;
stop_
save_
# BMRB/XML: Added pdbx compatible author name.
save__citation_author.pdbx_name
_item_description.description
;
The family name(s), followed by a comma and including any
dynastic components, precedes the first name(s) or initial(s).
;
_item.name '_citation_author.pdbx_name'
_item.category_id 'citation_author'
_item.mandatory_code no
_item_type.code 'line'
save_
save__citation_author.first_initial
_item_description.description
;
Initial of the author's first name.
;
_item.name '_citation_author.first_initial'
_item.category_id 'citation_author'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
J.
;
stop_
save_
save__citation_author.middle_initials
_item_description.description
;
The initials for the author's middle names. A name can be used here, if
the author uses a middle name for publications.
;
_item.name '_citation_author.middle_initials'
_item.category_id 'citation_author'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
L.R.
;
stop_
save_
save__citation_author.family_title
_item_description.description
;
A common family title (not a professional title).
;
_item.name '_citation_author.family_title'
_item.category_id 'citation_author'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'code'
loop_
_item_enumeration.value
_item_enumeration.detail
Sr. Senior
Jr. Junior
I First
II Second
III Third
IV Fourth
V Fifth
stop_
loop_
_item_examples.case
;
Jr.
;
stop_
save_
save__citation_author.orcid
_item_description.description
;
Unique personal identifier for researchers(Open Researcher and Contributor
ID) used to link a researcher to their publications and grants.
;
_item.name '_citation_author.orcid'
_item.category_id 'citation_author'
_item.mandatory_code no
_item_type.code 'line'
save_
save__citation_author.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_citation_author.entry_id'
_item.category_id 'citation_author'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__citation_author.citation_id
_item_description.description
;
Pointer to '_Citation.ID'
;
_item.name '_citation_author.citation_id'
_item.category_id 'citation_author'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_citation_keyword
_category.description
;
Items in the citation_keyword category capture keywords that describe the contents of a citation.
;
_category.id 'citation_keyword'
_category.mandatory_code yes
loop_
_category_key.name
'_citation_keyword.keyword'
'_citation_keyword.entry_id'
'_citation_keyword.citation_id'
stop_
loop_
_category_group.id
'inclusive_group'
'citations'
stop_
save_
save__citation_keyword.keyword
_item_description.description
;
A single word or very brief phrase that characterizes the citation.
;
_item.name '_citation_keyword.keyword'
_item.category_id 'citation_keyword'
_item.mandatory_code yes
_item_type.code 'line'
loop_
_item_examples.case
;
NMR
;
stop_
save_
save__citation_keyword.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_citation_keyword.entry_id'
_item.category_id 'citation_keyword'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__citation_keyword.citation_id
_item_description.description
;
Pointer to '_Citation.ID'
;
_item.name '_citation_keyword.citation_id'
_item.category_id 'citation_keyword'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_citation_editor
_category.description
;
Items in the citation_editor category define the editors and the order of the names for a citation.
;
_category.id 'citation_editor'
_category.mandatory_code yes
loop_
_category_key.name
'_citation_editor.ordinal'
'_citation_editor.entry_id'
'_citation_editor.citation_id'
stop_
loop_
_category_group.id
'inclusive_group'
'citations'
stop_
save_
save__citation_editor.ordinal
_item_description.description
;
Integer value defining the position of the editor's name in the list of editors.
;
_item.name '_citation_editor.ordinal'
_item.category_id 'citation_editor'
_item.mandatory_code yes
_item_type.code 'int'
loop_
_item_examples.case
;
1
;
stop_
save_
save__citation_editor.given_name
_item_description.description
;
The name given the editor at birth or currently used by the editor for
publication purposes. Can be an initial if the editor uses a second name as a full
name when publishing.
;
_item.name '_citation_editor.given_name'
_item.category_id 'citation_editor'
_item.mandatory_code yes
_item_type.code 'line'
loop_
_item_examples.case
;
John
;
stop_
save_
save__citation_editor.family_name
_item_description.description
;
The family name of the editor.
;
_item.name '_citation_editor.family_name'
_item.category_id 'citation_editor'
_item.mandatory_code yes
_item_type.code 'line'
loop_
_item_examples.case
;
Doe
;
stop_
save_
# BMRB/XML: Added pdbx compatible author name.
save__citation_editor.pdbx_name
_item_description.description
;
The family name(s), followed by a comma and including any
dynastic components, precedes the first name(s) or initial(s).
;
_item.name '_citation_editor.pdbx_name'
_item.category_id 'citation_editor'
_item.mandatory_code no
_item_type.code 'line'
save_
save__citation_editor.first_initial
_item_description.description
;
The editor's initial for their first name.
;
_item.name '_citation_editor.first_initial'
_item.category_id 'citation_editor'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
T.
;
stop_
save_
save__citation_editor.middle_initials
_item_description.description
;
The initials for the editor's middle names. A name can be used here, if
the editor uses a middle name for publications.
;
_item.name '_citation_editor.middle_initials'
_item.category_id 'citation_editor'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
G.
;
stop_
save_
save__citation_editor.family_title
_item_description.description
;
A common family title (not a professional title).
;
_item.name '_citation_editor.family_title'
_item.category_id 'citation_editor'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
Sr. Senior
Jr. Junior
I First
II Second
III Third
IV Fourth
V Fifth
stop_
loop_
_item_examples.case
;
II
;
stop_
save_
save__citation_editor.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_citation_editor.entry_id'
_item.category_id 'citation_editor'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__citation_editor.citation_id
_item_description.description
;
Pointer to '_Citation.ID'
;
_item.name '_citation_editor.citation_id'
_item.category_id 'citation_editor'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_assembly
_category.description
;
Items in the assembly category describe the molecular assembly studied.
;
_category.id 'assembly'
_category.mandatory_code yes
loop_
_category_key.name
'_assembly.entry_id'
'_assembly.id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
save_
save__assembly.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_assembly.sf_category'
_item.category_id 'assembly'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__assembly.sf_framecode
_item_description.description
;
A descriptive label for the molecular assembly studied.
;
_item.name '_assembly.sf_framecode'
_item.category_id 'assembly'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__assembly.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_assembly.entry_id'
_item.category_id 'assembly'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__assembly.id
_item_description.description
;
A code that uniquely identifies the molecular assembly described in the
saveframe.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_assembly.id' 'assembly' yes
'_assembly_type.assembly_id' 'assembly_type' yes
'_entity_assembly.assembly_id' 'entity_assembly' yes
'_bond.assembly_id' 'bond' yes
'_entity_deleted_atom.assembly_id' 'entity_deleted_atom' yes
'_struct_asym.assembly_id' 'struct_asym' yes
'_assembly_db_link.assembly_id' 'assembly_db_link' yes
'_assembly_common_name.assembly_id' 'assembly_common_name' yes
'_assembly_systematic_name.assembly_id' 'assembly_systematic_name' yes
'_assembly_interaction.assembly_id' 'assembly_interaction' yes
'_chem_comp_assembly.assembly_id' 'chem_comp_assembly' yes
'_pdbx_poly_seq_scheme.assembly_id' 'pdbx_poly_seq_scheme' yes
'_pdbx_nonpoly_scheme.assembly_id' 'pdbx_nonpoly_scheme' yes
'_atom_type.assembly_id' 'atom_type' yes
'_atom.assembly_id' 'atom' yes
'_assembly_bio_function.assembly_id' 'assembly_bio_function' yes
'_angle.assembly_id' 'angle' yes
'_torsion_angle.assembly_id' 'torsion_angle' yes
'_assembly_segment.assembly_id' 'assembly_segment' yes
'_assembly_segment_description.assembly_id' 'assembly_segment_description' yes
'_assembly_keyword.assembly_id' 'assembly_keyword' yes
'_assembly_citation.assembly_id' 'assembly_citation' yes
'_author_annotation.assembly_id' 'author_annotation' yes
'_sample_component.assembly_id' 'sample_component' yes
'_chemical_rate.assembly_id' 'chemical_rate' yes
'_auto_relaxation.assembly_id' 'auto_relaxation' yes
'_theoretical_auto_relaxation.assembly_id' 'theoretical_auto_relaxation' yes
'_binding_result.assembly_id' 'binding_result' yes
'_binding_partners.assembly_id' 'binding_partners' yes
'_struct_anno_char.assembly_id' 'struct_anno_char' yes
# BMRB/XML: LACS extension
'_lacs_char.assembly_id' 'lacs_char' yes
# BMRB/XML: PB extension
'_pb_char.assembly_id' 'pb_char' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_assembly_type.assembly_id' '_assembly.id'
'_entity_assembly.assembly_id' '_assembly.id'
'_bond.assembly_id' '_assembly.id'
'_entity_deleted_atom.assembly_id' '_assembly.id'
'_struct_asym.assembly_id' '_assembly.id'
'_assembly_db_link.assembly_id' '_assembly.id'
'_assembly_common_name.assembly_id' '_assembly.id'
'_assembly_systematic_name.assembly_id' '_assembly.id'
'_assembly_interaction.assembly_id' '_assembly.id'
'_chem_comp_assembly.assembly_id' '_assembly.id'
'_pdbx_poly_seq_scheme.assembly_id' '_assembly.id'
'_pdbx_nonpoly_scheme.assembly_id' '_assembly.id'
'_atom_type.assembly_id' '_assembly.id'
'_atom.assembly_id' '_assembly.id'
'_assembly_bio_function.assembly_id' '_assembly.id'
'_angle.assembly_id' '_assembly.id'
'_torsion_angle.assembly_id' '_assembly.id'
'_assembly_segment.assembly_id' '_assembly.id'
'_assembly_segment_description.assembly_id' '_assembly.id'
'_assembly_keyword.assembly_id' '_assembly.id'
'_assembly_citation.assembly_id' '_assembly.id'
'_author_annotation.assembly_id' '_assembly.id'
'_sample_component.assembly_id' '_assembly.id'
'_chemical_rate.assembly_id' '_assembly.id'
'_auto_relaxation.assembly_id' '_assembly.id'
'_theoretical_auto_relaxation.assembly_id' '_assembly.id'
'_binding_result.assembly_id' '_assembly.id'
'_binding_partners.assembly_id' '_assembly.id'
'_struct_anno_char.assembly_id' '_assembly.id'
# BMRB/XML: LACS extension
'_lacs_char.assembly_id' '_assembly.id'
# BMRB/XML: PB extension
'_pb_char.assembly_id' '_assembly.id'
stop_
_item_type.code 'int'
save_
save__assembly.name
_item_description.description
;
Brief descriptive name for the molecular assembly studied.
;
_item.name '_assembly.name'
_item.category_id 'assembly'
_item.mandatory_code yes
_item_type.code 'line'
loop_
_item_examples.case
;
'p53 tetramer'
;
stop_
save_
save__assembly.bmrb_code
_item_description.description
;
Unique identifier for the molecular system in the BMRB library of molecular
system definitions.
;
_item.name '_assembly.bmrb_code'
_item.category_id 'assembly'
_item.mandatory_code no
_item_type.code 'code'
save_
save__assembly.number_of_components
_item_description.description
;
An integer that represents the total number of molecular components that
comprise the molecular system.
;
_item.name '_assembly.number_of_components'
_item.category_id 'assembly'
_item.mandatory_code no
_item_type.code 'int'
loop_
_item_examples.case
;
4
;
stop_
save_
save__assembly.organic_ligands
_item_description.description
;
Total number of organic ligands known to exist in the full molecular system.
;
_item.name '_assembly.organic_ligands'
_item.category_id 'assembly'
_item.mandatory_code no
_item_type.code 'int'
loop_
_item_examples.case
;
1
;
stop_
save_
save__assembly.metal_ions
_item_description.description
;
Total number of metal ions known to exist in the molecular system
;
_item.name '_assembly.metal_ions'
_item.category_id 'assembly'
_item.mandatory_code no
_item_type.code 'int'
loop_
_item_examples.case
;
1
;
stop_
save_
save__assembly.non_standard_bonds
_item_description.description
;
The molecular assembly contains covalent bonds such as cross-linking disulfide
bonds; non-standard residue-residue bonds; ligand-residue bonds; or metal
coordination bonds.
;
_item.name '_assembly.non_standard_bonds'
_item.category_id 'assembly'
_item.mandatory_code no
_item_type.code 'yes_no'
loop_
_item_enumeration.value
_item_enumeration.detail
yes ?
no ?
stop_
loop_
_item_examples.case
;
yes
;
stop_
save_
save__assembly.ambiguous_conformational_states
_item_description.description
;
A yes/no flag automatically filled in by BMRB software on the basis of
the information (tag _Molecule_ambiguous conformational_states) provided in the
saveframes used to described the molecules in the system.
;
_item.name '_assembly.ambiguous_conformational_states'
_item.category_id 'assembly'
_item.mandatory_code no
_item_type.code 'yes_no'
loop_
_item_enumeration.value
_item_enumeration.detail
yes ?
no ?
stop_
loop_
_item_examples.case
;
yes
;
stop_
save_
save__assembly.ambiguous_chem_comp_sites
_item_description.description
;
A yes/no flag automatically filled in by BMRB software on the basis of
information (tag _Mol_ambiguous_moiety_sites) provided in the saveframes used to
described the molecules in the system.
;
_item.name '_assembly.ambiguous_chem_comp_sites'
_item.category_id 'assembly'
_item.mandatory_code no
_item_type.code 'yes_no'
loop_
_item_enumeration.value
_item_enumeration.detail
yes ?
no ?
stop_
loop_
_item_examples.case
;
yes
;
stop_
save_
save__assembly.molecules_in_chemical_exchange
_item_description.description
;
A yes/no flag that indicates when two molecular components in the system
are in chemical exchange (I.e. a ligand that exists in both the free and bound state).
;
_item.name '_assembly.molecules_in_chemical_exchange'
_item.category_id 'assembly'
_item.mandatory_code no
_item_type.code 'yes_no'
loop_
_item_enumeration.value
_item_enumeration.detail
yes ?
no ?
stop_
loop_
_item_examples.case
;
yes
;
stop_
save_
save__assembly.paramagnetic
_item_description.description
;
A Yes or No flag used to describe whether the system is paramagnetic.
;
_item.name '_assembly.paramagnetic'
_item.category_id 'assembly'
_item.mandatory_code yes
_item_type.code 'yes_no'
loop_
_item_enumeration.value
_item_enumeration.detail
yes ?
no ?
stop_
loop_
_item_examples.case
;
yes
;
stop_
save_
save__assembly.thiol_state
_item_description.description
;
Description of the state of the thiol groups in the molecular system.
;
_item.name '_assembly.thiol_state'
_item.category_id 'assembly'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
'all disulfide bound' ?
'all other bound' ?
'all free' ?
'not present' ?
'not available' ?
unknown ?
'not reported' ?
'free and disulfide bound' ?
'free and other bound' ?
'free disulfide and other bound' ?
'disulfide and other bound' ?
stop_
loop_
_item_examples.case
;
all disulfide bound
;
stop_
save_
save__assembly.molecular_mass
_item_description.description
;
Mass of the molecular system in Daltons. This value may be approximate.
;
_item.name '_assembly.molecular_mass'
_item.category_id 'assembly'
_item.mandatory_code no
_item_type.code 'float'
loop_
_item_examples.case
;
17600
;
stop_
save_
save__assembly.enzyme_commission_number
_item_description.description
;
The Enzyme Commission decimal code (number) assigned to the protein or
molecular assembly, if available.
;
_item.name '_assembly.enzyme_commission_number'
_item.category_id 'assembly'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
2.1.5.8.2
;
stop_
save_
save__assembly.details
_item_description.description
;
Text description for the molecular system studied.
;
_item.name '_assembly.details'
_item.category_id 'assembly'
_item.mandatory_code no
_item_type.code 'text'
save_
save__assembly.db_query_date
_item_description.description
;
Date the database was queried to derive links to the molecular assembly
studied. GenBank is the database queried for these links.
;
_item.name '_assembly.db_query_date'
_item.category_id 'assembly'
_item.mandatory_code no
_item_type.code 'yyyy-mm-dd'
save_
save__assembly.db_query_revised_last_date
_item_description.description
;
The last date when new links to the molecular assembly were found through
the database query.
;
_item.name '_assembly.db_query_revised_last_date'
_item.category_id 'assembly'
_item.mandatory_code no
_item_type.code 'yyyy-mm-dd'
save_
save_assembly_type
_category.description
;
Items in the assembly_type category describe the kind of assembly studied. These are keywords that are specific to a description of the assembly in terms of the types and number of components that make up the assembly.
;
_category.id 'assembly_type'
_category.mandatory_code yes
loop_
_category_key.name
'_assembly_type.type'
'_assembly_type.entry_id'
'_assembly_type.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
save_
save__assembly_type.type
_item_description.description
;
Enumerated list of brief descriptive phrases that provide a loose way of
classifying the system. A system may fit more than one item in the list and all
appropriate values may be used for any specific system.
;
_item.name '_assembly_type.type'
_item.category_id 'assembly_type'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
peptide ?
'protein monomer' ?
'protein homo-multimer' ?
'protein hetero-multimer' ?
'RNA single strand' ?
'RNA double strand' ?
'DNA single strand' ?
'DNA double strand' ?
'DNA-RNA hybrid' ?
polysaccharide ?
'protein-nucleic acid complex' ?
'protein-inhibitor complex' ?
'protein-drug complex' ?
'protein-ligand complex' ?
'protein-protein complex' ?
'protein-DNA complex' ?
'protein-DNA-ligand complex' ?
'protein-DNA-inhibitor complex' ?
'protein-RNA complex' ?
'protein-RNA-ligand complex' ?
'protein-RNA-inhibitor complex' ?
'protein-carbohydrate complex' ?
'DNA-drug complex' ?
'DNA-RNA complex' ?
'RNA-drug complex' ?
non-polymer ?
stop_
loop_
_item_examples.case
;
protein monomer
;
stop_
save_
save__assembly_type.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_assembly_type.entry_id'
_item.category_id 'assembly_type'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__assembly_type.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_assembly_type.assembly_id'
_item.category_id 'assembly_type'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_entity_assembly
_category.description
;
Items in the entity_assembly category identify each molecule in the molecular assembly.
;
_category.id 'entity_assembly'
_category.mandatory_code yes
loop_
_category_key.name
'_entity_assembly.id'
'_entity_assembly.entry_id'
'_entity_assembly.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
save_
save__entity_assembly.id
_item_description.description
;
Unique identifier for each component in the entity assembly.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_entity_assembly.id' 'entity_assembly' yes
'_bond.entity_assembly_id_1' 'bond' yes
'_bond.entity_assembly_id_2' 'bond' yes
'_entity_deleted_atom.entity_assembly_id' 'entity_deleted_atom' yes
'_assembly_interaction.entity_assembly_id_1' 'assembly_interaction' yes
'_assembly_interaction.entity_assembly_id_2' 'assembly_interaction' yes
'_chem_comp_assembly.entity_assembly_id' 'chem_comp_assembly' yes
'_pdbx_poly_seq_scheme.entity_assembly_id' 'pdbx_poly_seq_scheme' yes
'_pdbx_nonpoly_scheme.entity_assembly_id' 'pdbx_nonpoly_scheme' yes
'_atom.entity_assembly_id' 'atom' yes
'_angle.entity_assembly_id_1' 'angle' yes
'_angle.entity_assembly_id_2' 'angle' yes
'_angle.entity_assembly_id_3' 'angle' yes
'_torsion_angle.entity_assembly_id_1' 'torsion_angle' yes
'_torsion_angle.entity_assembly_id_2' 'torsion_angle' yes
'_torsion_angle.entity_assembly_id_3' 'torsion_angle' yes
'_torsion_angle.entity_assembly_id_4' 'torsion_angle' yes
'_assembly_segment.entity_assembly_id' 'assembly_segment' yes
'_author_annotation.entity_assembly_id' 'author_annotation' yes
'_subsystem_component.entity_assembly_id' 'subsystem_component' yes
'_atom_chem_shift.entity_assembly_id' 'atom_chem_shift' yes
'_theoretical_chem_shift.entity_assembly_id' 'theoretical_chem_shift' yes
'_coupling_constant.entity_assembly_id_1' 'coupling_constant' yes
'_coupling_constant.entity_assembly_id_2' 'coupling_constant' yes
'_theoretical_coupling_constant.entity_assembly_id_1' 'theoretical_coupling_constant' yes
'_theoretical_coupling_constant.entity_assembly_id_2' 'theoretical_coupling_constant' yes
'_assigned_peak_chem_shift.entity_assembly_id' 'assigned_peak_chem_shift' yes
'_peak_row_format.entity_assembly_id_1' 'peak_row_format' yes
'_peak_row_format.entity_assembly_id_2' 'peak_row_format' yes
'_peak_row_format.entity_assembly_id_3' 'peak_row_format' yes
'_peak_row_format.entity_assembly_id_4' 'peak_row_format' yes
'_peak_row_format.entity_assembly_id_5' 'peak_row_format' yes
'_assigned_spectral_transition.entity_assembly_id' 'assigned_spectral_transition' yes
'_resonance_assignment.entity_assembly_id' 'resonance_assignment' yes
'_spin_system.entity_assembly_id' 'spin_system' yes
'_isotope_effect.entity_assembly_id' 'isotope_effect' yes
'_isotope_label_pattern.entity_assembly_id' 'isotope_label_pattern' yes
'_chem_shift_perturbation.entity_assembly_id' 'chem_shift_perturbation' yes
'_cs_anisotropy.entity_assembly_id' 'cs_anisotropy' yes
'_rdc.entity_assembly_id_1' 'rdc' yes
'_rdc.entity_assembly_id_2' 'rdc' yes
'_dipolar_coupling.entity_assembly_id_1' 'dipolar_coupling' yes
'_dipolar_coupling.entity_assembly_id_2' 'dipolar_coupling' yes
'_spectral_density.entity_assembly_id' 'spectral_density' yes
'_other_data.entity_assembly_id' 'other_data' yes
'_chemical_rate.entity_assembly_id' 'chemical_rate' yes
'_h_exch_rate.entity_assembly_id' 'h_exch_rate' yes
'_h_exch_protection_factor.entity_assembly_id' 'h_exch_protection_factor' yes
'_homonucl_noe.entity_assembly_id_1' 'homonucl_noe' yes
'_homonucl_noe.entity_assembly_id_2' 'homonucl_noe' yes
'_heteronucl_noe.entity_assembly_id_1' 'heteronucl_noe' yes
'_heteronucl_noe.entity_assembly_id_2' 'heteronucl_noe' yes
'_theoretical_heteronucl_noe.entity_assembly_id_1' 'theoretical_heteronucl_noe' yes
'_theoretical_heteronucl_noe.entity_assembly_id_2' 'theoretical_heteronucl_noe' yes
'_t1.entity_assembly_id' 't1' yes
'_theoretical_t1.entity_assembly_id' 'theoretical_t1' yes
'_t1rho.entity_assembly_id' 't1rho' yes
'_t2.entity_assembly_id' 't2' yes
'_theoretical_t2.entity_assembly_id' 'theoretical_t2' yes
'_auto_relaxation.entity_assembly_id' 'auto_relaxation' yes
'_theoretical_auto_relaxation.entity_assembly_id' 'theoretical_auto_relaxation' yes
'_dipole_dipole_relax.entity_assembly_id_1' 'dipole_dipole_relax' yes
'_dipole_dipole_relax.entity_assembly_id_2' 'dipole_dipole_relax' yes
'_cross_correlation_dd.dipole_1_entity_assembly_id_1' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_1_entity_assembly_id_2' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_2_entity_assembly_id_1' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_2_entity_assembly_id_2' 'cross_correlation_dd' yes
'_theoretical_cross_correlation_dd.dipole_1_entity_assembly_id_1' 'theoretical_cross_correlation_dd' yes
'_theoretical_cross_correlation_dd.dipole_1_entity_assembly_id_2' 'theoretical_cross_correlation_dd' yes
'_theoretical_cross_correlation_dd.dipole_2_entity_assembly_id_1' 'theoretical_cross_correlation_dd' yes
'_theoretical_cross_correlation_dd.dipole_2_entity_assembly_id_2' 'theoretical_cross_correlation_dd' yes
'_cross_correlation_d_csa.dipole_entity_assembly_id_1' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.dipole_entity_assembly_id_2' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.csa_entity_assembly_id_1' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.csa_entity_assembly_id_2' 'cross_correlation_d_csa' yes
'_order_param.entity_assembly_id' 'order_param' yes
'_ph_titr_result.atm_obs_entity_assembly_id' 'ph_titr_result' yes
'_ph_titr_result.atm_titr_entity_assembly_id' 'ph_titr_result' yes
'_d_h_fractionation_factor.entity_assembly_id' 'd_h_fractionation_factor' yes
'_binding_result.atm_obs_entity_assembly_id' 'binding_result' yes
'_binding_partners.entity_assembly_id' 'binding_partners' yes
'_deduced_secd_struct_exptl.entity_assembly_id' 'deduced_secd_struct_exptl' yes
'_deduced_secd_struct_feature.entity_assembly_id' 'deduced_secd_struct_feature' yes
'_deduced_h_bond.heavy_atom_entity_assembly_id_1' 'deduced_h_bond' yes
'_deduced_h_bond.heavy_atom_entity_assembly_id_2' 'deduced_h_bond' yes
'_deduced_h_bond.h_atom_entity_assembly_id' 'deduced_h_bond' yes
'_local_structure_quality.entity_assembly_id' 'local_structure_quality' yes
'_atom_site.label_entity_assembly_id' 'atom_site' yes
'_rep_conf.entity_assembly_id' 'rep_conf' yes
'_angular_order_param.entity_assembly_id' 'angular_order_param' yes
'_tertiary_struct.entity_assembly_id' 'tertiary_struct' yes
'_struct_anno_char.entity_assembly_id' 'struct_anno_char' yes
'_secondary_struct.entity_assembly_id' 'secondary_struct' yes
'_bond_annotation.entity_assembly_id_1' 'bond_annotation' yes
'_bond_annotation.entity_assembly_id_2' 'bond_annotation' yes
'_structure_interaction.entity_assembly_id_1' 'structure_interaction' yes
'_structure_interaction.entity_assembly_id_2' 'structure_interaction' yes
'_other_struct_feature.entity_assembly_id' 'other_struct_feature' yes
'_tensor.entity_assembly_id' 'tensor' yes
'_interatomic_dist.entity_assembly_id_1' 'interatomic_dist' yes
'_interatomic_dist.entity_assembly_id_2' 'interatomic_dist' yes
'_gen_dist_constraint.entity_assembly_id_1' 'gen_dist_constraint' yes
'_gen_dist_constraint.entity_assembly_id_2' 'gen_dist_constraint' yes
'_dist_constraint.entity_assembly_id' 'dist_constraint' yes
'_floating_chirality.entity_assembly_id_1' 'floating_chirality' yes
'_floating_chirality.entity_assembly_id_2' 'floating_chirality' yes
'_torsion_angle_constraint.entity_assembly_id_1' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.entity_assembly_id_2' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.entity_assembly_id_3' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.entity_assembly_id_4' 'torsion_angle_constraint' yes
# BMRB/XML: Fatal error while DDL mapping
# '_rdc_constraint_list.tensor_entity_assembly_id' 'rdc_constraint_list' yes
'_rdc_constraint.entity_assembly_id_1' 'rdc_constraint' yes
'_rdc_constraint.entity_assembly_id_2' 'rdc_constraint' yes
'_j_three_bond_constraint.entity_assembly_id_1' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.entity_assembly_id_2' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.entity_assembly_id_3' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.entity_assembly_id_4' 'j_three_bond_constraint' yes
'_ca_cb_constraint.entity_assembly_id_1' 'ca_cb_constraint' yes
'_ca_cb_constraint.entity_assembly_id_2' 'ca_cb_constraint' yes
'_ca_cb_constraint.entity_assembly_id_3' 'ca_cb_constraint' yes
'_ca_cb_constraint.entity_assembly_id_4' 'ca_cb_constraint' yes
'_ca_cb_constraint.entity_assembly_id_5' 'ca_cb_constraint' yes
'_h_chem_shift_constraint.entity_assembly_id' 'h_chem_shift_constraint' yes
'_other_constraint_list.entity_assembly_id' 'other_constraint_list' yes
# BMRB/XML: LACS extension
'_lacs_char.entity_assembly_id' 'lacs_char' yes
# BMRB/XML: PB extension
'_pb_char.entity_assembly_id' 'pb_char' yes
# BMRB/XML: CS completeness
'_chem_shift_completeness_char.entity_assembly_id' 'chem_shift_completeness_char' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_bond.entity_assembly_id_1' '_entity_assembly.id'
'_bond.entity_assembly_id_2' '_entity_assembly.id'
'_entity_deleted_atom.entity_assembly_id' '_entity_assembly.id'
'_assembly_interaction.entity_assembly_id_1' '_entity_assembly.id'
'_assembly_interaction.entity_assembly_id_2' '_entity_assembly.id'
'_chem_comp_assembly.entity_assembly_id' '_entity_assembly.id'
'_pdbx_poly_seq_scheme.entity_assembly_id' '_entity_assembly.id'
'_pdbx_nonpoly_scheme.entity_assembly_id' '_entity_assembly.id'
'_atom.entity_assembly_id' '_entity_assembly.id'
'_angle.entity_assembly_id_1' '_entity_assembly.id'
'_angle.entity_assembly_id_2' '_entity_assembly.id'
'_angle.entity_assembly_id_3' '_entity_assembly.id'
'_torsion_angle.entity_assembly_id_1' '_entity_assembly.id'
'_torsion_angle.entity_assembly_id_2' '_entity_assembly.id'
'_torsion_angle.entity_assembly_id_3' '_entity_assembly.id'
'_torsion_angle.entity_assembly_id_4' '_entity_assembly.id'
'_assembly_segment.entity_assembly_id' '_entity_assembly.id'
'_author_annotation.entity_assembly_id' '_entity_assembly.id'
'_subsystem_component.entity_assembly_id' '_entity_assembly.id'
'_atom_chem_shift.entity_assembly_id' '_entity_assembly.id'
'_theoretical_chem_shift.entity_assembly_id' '_entity_assembly.id'
'_coupling_constant.entity_assembly_id_1' '_entity_assembly.id'
'_coupling_constant.entity_assembly_id_2' '_entity_assembly.id'
'_theoretical_coupling_constant.entity_assembly_id_1' '_entity_assembly.id'
'_theoretical_coupling_constant.entity_assembly_id_2' '_entity_assembly.id'
'_assigned_peak_chem_shift.entity_assembly_id' '_entity_assembly.id'
'_peak_row_format.entity_assembly_id_1' '_entity_assembly.id'
'_peak_row_format.entity_assembly_id_2' '_entity_assembly.id'
'_peak_row_format.entity_assembly_id_3' '_entity_assembly.id'
'_peak_row_format.entity_assembly_id_4' '_entity_assembly.id'
'_peak_row_format.entity_assembly_id_5' '_entity_assembly.id'
'_assigned_spectral_transition.entity_assembly_id' '_entity_assembly.id'
'_resonance_assignment.entity_assembly_id' '_entity_assembly.id'
'_spin_system.entity_assembly_id' '_entity_assembly.id'
'_isotope_effect.entity_assembly_id' '_entity_assembly.id'
'_isotope_label_pattern.entity_assembly_id' '_entity_assembly.id'
'_chem_shift_perturbation.entity_assembly_id' '_entity_assembly.id'
'_cs_anisotropy.entity_assembly_id' '_entity_assembly.id'
'_rdc.entity_assembly_id_1' '_entity_assembly.id'
'_rdc.entity_assembly_id_2' '_entity_assembly.id'
'_dipolar_coupling.entity_assembly_id_1' '_entity_assembly.id'
'_dipolar_coupling.entity_assembly_id_2' '_entity_assembly.id'
'_spectral_density.entity_assembly_id' '_entity_assembly.id'
'_other_data.entity_assembly_id' '_entity_assembly.id'
'_chemical_rate.entity_assembly_id' '_entity_assembly.id'
'_h_exch_rate.entity_assembly_id' '_entity_assembly.id'
'_h_exch_protection_factor.entity_assembly_id' '_entity_assembly.id'
'_homonucl_noe.entity_assembly_id_1' '_entity_assembly.id'
'_homonucl_noe.entity_assembly_id_2' '_entity_assembly.id'
'_heteronucl_noe.entity_assembly_id_1' '_entity_assembly.id'
'_heteronucl_noe.entity_assembly_id_2' '_entity_assembly.id'
'_theoretical_heteronucl_noe.entity_assembly_id_1' '_entity_assembly.id'
'_theoretical_heteronucl_noe.entity_assembly_id_2' '_entity_assembly.id'
'_t1.entity_assembly_id' '_entity_assembly.id'
'_theoretical_t1.entity_assembly_id' '_entity_assembly.id'
'_t1rho.entity_assembly_id' '_entity_assembly.id'
'_t2.entity_assembly_id' '_entity_assembly.id'
'_theoretical_t2.entity_assembly_id' '_entity_assembly.id'
'_auto_relaxation.entity_assembly_id' '_entity_assembly.id'
'_theoretical_auto_relaxation.entity_assembly_id' '_entity_assembly.id'
'_dipole_dipole_relax.entity_assembly_id_1' '_entity_assembly.id'
'_dipole_dipole_relax.entity_assembly_id_2' '_entity_assembly.id'
'_cross_correlation_dd.dipole_1_entity_assembly_id_1' '_entity_assembly.id'
'_cross_correlation_dd.dipole_1_entity_assembly_id_2' '_entity_assembly.id'
'_cross_correlation_dd.dipole_2_entity_assembly_id_1' '_entity_assembly.id'
'_cross_correlation_dd.dipole_2_entity_assembly_id_2' '_entity_assembly.id'
'_theoretical_cross_correlation_dd.dipole_1_entity_assembly_id_1' '_entity_assembly.id'
'_theoretical_cross_correlation_dd.dipole_1_entity_assembly_id_2' '_entity_assembly.id'
'_theoretical_cross_correlation_dd.dipole_2_entity_assembly_id_1' '_entity_assembly.id'
'_theoretical_cross_correlation_dd.dipole_2_entity_assembly_id_2' '_entity_assembly.id'
'_cross_correlation_d_csa.dipole_entity_assembly_id_1' '_entity_assembly.id'
'_cross_correlation_d_csa.dipole_entity_assembly_id_2' '_entity_assembly.id'
'_cross_correlation_d_csa.csa_entity_assembly_id_1' '_entity_assembly.id'
'_cross_correlation_d_csa.csa_entity_assembly_id_2' '_entity_assembly.id'
'_order_param.entity_assembly_id' '_entity_assembly.id'
'_ph_titr_result.atm_obs_entity_assembly_id' '_entity_assembly.id'
'_ph_titr_result.atm_titr_entity_assembly_id' '_entity_assembly.id'
'_d_h_fractionation_factor.entity_assembly_id' '_entity_assembly.id'
'_binding_result.atm_obs_entity_assembly_id' '_entity_assembly.id'
'_binding_partners.entity_assembly_id' '_entity_assembly.id'
'_deduced_secd_struct_exptl.entity_assembly_id' '_entity_assembly.id'
'_deduced_secd_struct_feature.entity_assembly_id' '_entity_assembly.id'
'_deduced_h_bond.heavy_atom_entity_assembly_id_1' '_entity_assembly.id'
'_deduced_h_bond.heavy_atom_entity_assembly_id_2' '_entity_assembly.id'
'_deduced_h_bond.h_atom_entity_assembly_id' '_entity_assembly.id'
'_local_structure_quality.entity_assembly_id' '_entity_assembly.id'
'_atom_site.label_entity_assembly_id' '_entity_assembly.id'
'_rep_conf.entity_assembly_id' '_entity_assembly.id'
'_angular_order_param.entity_assembly_id' '_entity_assembly.id'
'_tertiary_struct.entity_assembly_id' '_entity_assembly.id'
'_struct_anno_char.entity_assembly_id' '_entity_assembly.id'
'_secondary_struct.entity_assembly_id' '_entity_assembly.id'
'_bond_annotation.entity_assembly_id_1' '_entity_assembly.id'
'_bond_annotation.entity_assembly_id_2' '_entity_assembly.id'
'_structure_interaction.entity_assembly_id_1' '_entity_assembly.id'
'_structure_interaction.entity_assembly_id_2' '_entity_assembly.id'
'_other_struct_feature.entity_assembly_id' '_entity_assembly.id'
'_tensor.entity_assembly_id' '_entity_assembly.id'
'_interatomic_dist.entity_assembly_id_1' '_entity_assembly.id'
'_interatomic_dist.entity_assembly_id_2' '_entity_assembly.id'
'_gen_dist_constraint.entity_assembly_id_1' '_entity_assembly.id'
'_gen_dist_constraint.entity_assembly_id_2' '_entity_assembly.id'
'_dist_constraint.entity_assembly_id' '_entity_assembly.id'
'_floating_chirality.entity_assembly_id_1' '_entity_assembly.id'
'_floating_chirality.entity_assembly_id_2' '_entity_assembly.id'
'_torsion_angle_constraint.entity_assembly_id_1' '_entity_assembly.id'
'_torsion_angle_constraint.entity_assembly_id_2' '_entity_assembly.id'
'_torsion_angle_constraint.entity_assembly_id_3' '_entity_assembly.id'
'_torsion_angle_constraint.entity_assembly_id_4' '_entity_assembly.id'
# BMRB/XML: Fatal error while DDL mapping
# '_rdc_constraint_list.tensor_entity_assembly_id' '_entity_assembly.id'
'_rdc_constraint.entity_assembly_id_1' '_entity_assembly.id'
'_rdc_constraint.entity_assembly_id_2' '_entity_assembly.id'
'_j_three_bond_constraint.entity_assembly_id_1' '_entity_assembly.id'
'_j_three_bond_constraint.entity_assembly_id_2' '_entity_assembly.id'
'_j_three_bond_constraint.entity_assembly_id_3' '_entity_assembly.id'
'_j_three_bond_constraint.entity_assembly_id_4' '_entity_assembly.id'
'_ca_cb_constraint.entity_assembly_id_1' '_entity_assembly.id'
'_ca_cb_constraint.entity_assembly_id_2' '_entity_assembly.id'
'_ca_cb_constraint.entity_assembly_id_3' '_entity_assembly.id'
'_ca_cb_constraint.entity_assembly_id_4' '_entity_assembly.id'
'_ca_cb_constraint.entity_assembly_id_5' '_entity_assembly.id'
'_h_chem_shift_constraint.entity_assembly_id' '_entity_assembly.id'
'_other_constraint_list.entity_assembly_id' '_entity_assembly.id'
# BMRB/XML: LACS extension
'_lacs_char.entity_assembly_id' '_entity_assembly.id'
# BMRB/XML: PB extension
'_pb_char.entity_assembly_id' '_entity_assembly.id'
# BMRB/XML: CS completeness
'_chem_shift_completeness_char.entity_assembly_id' '_entity_assembly.id'
stop_
_item_type.code 'int'
loop_
_item_examples.case
;
1
;
stop_
save_
save__entity_assembly.entity_assembly_name
_item_description.description
;
Name for this molecular component of the molecular assembly
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_entity_assembly.entity_assembly_name' 'entity_assembly' no
'_bond.entity_assembly_name_1' 'bond' no
'_bond.entity_assembly_name_2' 'bond' no
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_bond.entity_assembly_name_1' '_entity_assembly.entity_assembly_name'
'_bond.entity_assembly_name_2' '_entity_assembly.entity_assembly_name'
stop_
_item_type.code 'line'
loop_
_item_examples.case
;
subunit 1
;
stop_
save_
save__entity_assembly.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_entity_assembly.entity_id'
_item.category_id 'entity_assembly'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__entity_assembly.entity_label
_item_description.description
;
This value points to the section of the entry where the chemical description
is given for all assembly components of this type. For a homodimer a chemical
description of the monomer is given only once and is pointed to by this value
although the assembly contains two monomers.
;
_item.name '_entity_assembly.entity_label'
_item.category_id 'entity_assembly'
_item.mandatory_code no
_item_type.code 'framecode'
loop_
_item_examples.case
;
HIV protease polypeptide
;
stop_
save_
save__entity_assembly.asym_id
_item_description.description
;
Pointer to '_Struct_asym.ID'
;
_item.name '_entity_assembly.asym_id'
_item.category_id 'entity_assembly'
_item.mandatory_code no
_item_type.code 'code'
_item_default.value 'A'
loop_
_item_examples.case
;
A
;
stop_
save_
save__entity_assembly.pdb_chain_id
_item_description.description
;
PDB chain ID.
;
_item.name '_entity_assembly.pdb_chain_id'
_item.category_id 'entity_assembly'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
A
;
stop_
save_
save__entity_assembly.experimental_data_reported
_item_description.description
;
A flag indicating whether experimental data for a specific component of
the assembly is reported.
;
_item.name '_entity_assembly.experimental_data_reported'
_item.category_id 'entity_assembly'
_item.mandatory_code no
_item_type.code 'yes_no'
loop_
_item_enumeration.value
_item_enumeration.detail
yes ?
no ?
stop_
loop_
_item_examples.case
;
yes
;
stop_
save_
save__entity_assembly.physical_state
_item_description.description
;
An enumerated list of descriptive terms used to define the conformational
state of the component of the assembly.
;
_item.name '_entity_assembly.physical_state'
_item.category_id 'entity_assembly'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
_item_default.value 'native'
loop_
_item_enumeration.value
_item_enumeration.detail
native ?
denatured ?
'molten globule' ?
unfolded ?
'intrinsically disordered' ?
'partially disordered' ?
na ?
stop_
loop_
_item_examples.case
;
native
;
stop_
save_
save__entity_assembly.conformational_isomer
_item_description.description
;
A flag indicating whether the component of the system is a conformational
isomer of another component of the system.
;
_item.name '_entity_assembly.conformational_isomer'
_item.category_id 'entity_assembly'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag yes
_item_type.code 'yes_no'
_item_default.value 'no'
loop_
_item_enumeration.value
_item_enumeration.detail
yes ?
no ?
stop_
loop_
_item_examples.case
;
yes
;
stop_
save_
save__entity_assembly.chemical_exchange_state
_item_description.description
;
A flag indicating whether the component of the system is in chemical exchange
with another component of the system.
;
_item.name '_entity_assembly.chemical_exchange_state'
_item.category_id 'entity_assembly'
_item.mandatory_code no
_item_type.code 'yes_no'
_item_default.value 'no'
loop_
_item_enumeration.value
_item_enumeration.detail
yes ?
no ?
stop_
loop_
_item_examples.case
;
no
;
stop_
save_
save__entity_assembly.magnetic_equivalence_group_code
_item_description.description
;
Unique identifier for the group of assembly components within the assembly
that are magnetically equivalent in that only one set of NMR peaks are observed
for the group.
;
_item.name '_entity_assembly.magnetic_equivalence_group_code'
_item.category_id 'entity_assembly'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
1
;
stop_
save_
save__entity_assembly.role
_item_description.description
;
The function of the asembly component within the assembly.
;
_item.name '_entity_assembly.role'
_item.category_id 'entity_assembly'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
catalytic unit
;
stop_
save_
save__entity_assembly.details
_item_description.description
;
Text information describing the component of the assembly that is pertinent
to the component as found in the assembly. Specific details about the entity
are given in the entity category.
;
_item.name '_entity_assembly.details'
_item.category_id 'entity_assembly'
_item.mandatory_code no
_item_type.code 'text'
loop_
_item_examples.case
;
The bound ATP is in slow exchange with the free form
;
stop_
save_
save__entity_assembly.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity_assembly.entry_id'
_item.category_id 'entity_assembly'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__entity_assembly.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_entity_assembly.assembly_id'
_item.category_id 'entity_assembly'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_bond
_category.description
;
Items in the bond category define a unique identifier for each bond in the molecular assembly.
;
_category.id 'bond'
_category.mandatory_code yes
loop_
_category_key.name
'_bond.id'
'_bond.entry_id'
'_bond.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
save_
save__bond.id
_item_description.description
;
Unique identifier for the bond being defined.
;
_item.name '_bond.id'
_item.category_id 'bond'
_item.mandatory_code yes
_item_type.code 'int'
loop_
_item_examples.case
;
1
;
stop_
save_
save__bond.type
_item_description.description
;
A descriptive phrase or word that characterized the bond.
;
_item.name '_bond.type'
_item.category_id 'bond'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
amide ?
covalent ?
directed 'N -> O'
disulfide ?
ester ?
ether ?
hydrogen ?
'metal coordination' ?
peptide ?
thioether ?
oxime ?
thioester ?
phosphoester ?
phosphodiester ?
diselenide ?
na ?
stop_
loop_
_item_examples.case
;
disulfide
;
stop_
save_
save__bond.value_order
_item_description.description
;
The order of the bond between two atoms (i.e., single, double, etc.)
;
_item.name '_bond.value_order'
_item.category_id 'bond'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag yes
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
sing 'single bond'
doub 'double bond'
trip 'triple bond'
quad 'quadruple bond'
arom 'aromatic bond'
poly 'polymeric bond'
delo 'delocalized double bond'
pi 'pi bond'
directed 'N ->O'
stop_
loop_
_item_examples.case
;
SING
;
stop_
save_
save__bond.assembly_atom_id_1
_item_description.description
;
Pointer to '_Atom.Assembly_atom_ID'
;
_item.name '_bond.assembly_atom_id_1'
_item.category_id 'bond'
_item.mandatory_code no
_item_type.code 'int'
loop_
_item_examples.case
;
20345
;
stop_
save_
save__bond.entity_assembly_id_1
_item_description.description
;
Pointer to '_Entity_assembly.ID'
;
_item.name '_bond.entity_assembly_id_1'
_item.category_id 'bond'
_item.mandatory_code yes
_item_type.code 'int'
loop_
_item_examples.case
;
1
;
stop_
save_
save__bond.entity_assembly_name_1
_item_description.description
;
Pointer to '_Entity_assembly.Entity_assembly_name'
;
_item.name '_bond.entity_assembly_name_1'
_item.category_id 'bond'
_item.mandatory_code no
_item_type.code 'line'
save_
save__bond.entity_id_1
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_bond.entity_id_1'
_item.category_id 'bond'
_item.mandatory_code yes
_item_type.code 'int'
loop_
_item_examples.case
;
1
;
stop_
save_
save__bond.comp_id_1
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_bond.comp_id_1'
_item.category_id 'bond'
_item.mandatory_code yes
_item_type.code 'code'
loop_
_item_examples.case
;
Cys
;
stop_
save_
save__bond.comp_index_id_1
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_bond.comp_index_id_1'
_item.category_id 'bond'
_item.mandatory_code yes
_item_type.code 'int'
loop_
_item_examples.case
;
36
;
stop_
save_
save__bond.seq_id_1
_item_description.description
;
Pointer to '_Entity_poly_seq.Num'
;
_item.name '_bond.seq_id_1'
_item.category_id 'bond'
_item.mandatory_code yes
_item_type.code 'int'
loop_
_item_examples.case
;
36
;
stop_
save_
save__bond.atom_id_1
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_bond.atom_id_1'
_item.category_id 'bond'
_item.mandatory_code yes
_item_type.code 'atcode'
loop_
_item_examples.case
;
SG
;
stop_
save_
save__bond.assembly_atom_id_2
_item_description.description
;
Pointer to '_Atom.Assembly_atom_ID'
;
_item.name '_bond.assembly_atom_id_2'
_item.category_id 'bond'
_item.mandatory_code no
_item_type.code 'int'
loop_
_item_examples.case
;
15435
;
stop_
save_
save__bond.entity_assembly_id_2
_item_description.description
;
Pointer to '_Entity_assembly.ID'
;
_item.name '_bond.entity_assembly_id_2'
_item.category_id 'bond'
_item.mandatory_code yes
_item_type.code 'int'
loop_
_item_examples.case
;
2
;
stop_
save_
save__bond.entity_assembly_name_2
_item_description.description
;
Pointer to '_Entity_assembly.Entity_assembly_name'
;
_item.name '_bond.entity_assembly_name_2'
_item.category_id 'bond'
_item.mandatory_code no
_item_type.code 'line'
save_
save__bond.entity_id_2
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_bond.entity_id_2'
_item.category_id 'bond'
_item.mandatory_code yes
_item_type.code 'int'
loop_
_item_examples.case
;
2
;
stop_
save_
save__bond.comp_id_2
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_bond.comp_id_2'
_item.category_id 'bond'
_item.mandatory_code yes
_item_type.code 'code'
loop_
_item_examples.case
;
Cys
;
stop_
save_
save__bond.comp_index_id_2
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_bond.comp_index_id_2'
_item.category_id 'bond'
_item.mandatory_code yes
_item_type.code 'int'
loop_
_item_examples.case
;
5
;
stop_
save_
save__bond.seq_id_2
_item_description.description
;
Pointer to '_Entity_poly_seq.Num'
;
_item.name '_bond.seq_id_2'
_item.category_id 'bond'
_item.mandatory_code yes
_item_type.code 'int'
loop_
_item_examples.case
;
5
;
stop_
save_
save__bond.atom_id_2
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_bond.atom_id_2'
_item.category_id 'bond'
_item.mandatory_code yes
_item_type.code 'atcode'
loop_
_item_examples.case
;
SG
;
stop_
save_
save__bond.auth_entity_assembly_id_1
_item_description.description
;
Enter the name given to the biopolymer or ligand as a component of the
molecular system where the first atom in the bond is located. For complex systems
that have many components, this might be something like 'alpha chain 1' or 'heme
3'. A pull down list of the names assigned to the molecular system components
in the section above is provided.
;
_item.name '_bond.auth_entity_assembly_id_1'
_item.category_id 'bond'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
chain 1
;
stop_
save_
save__bond.auth_entity_assembly_name_1
_item_description.description
;
Enter the name given to the biopolymer or ligand as a component of the
molecular system where the first atom in the bond is located. For complex systems
that have many components, this might be something like 'alpha chain 1' or 'heme
3'. A pull down list of the names assigned to the molecular system components
in the section above is provided.
;
_item.name '_bond.auth_entity_assembly_name_1'
_item.category_id 'bond'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
chain 1
;
stop_
save_
save__bond.auth_asym_id_1
_item_description.description
;
An alternative identifier for Asym_ID provided by an author.
;
_item.name '_bond.auth_asym_id_1'
_item.category_id 'bond'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
A
;
stop_
save_
save__bond.auth_seq_id_1
_item_description.description
;
An alternative identifier for Seq_ID that may be provided by an author
in order to match that used in the publication that describes the experimental data.
Note that the value is not required to be a number and does not need to correspond
to the value for Seq_ID or Comp_index_ID.
;
_item.name '_bond.auth_seq_id_1'
_item.category_id 'bond'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
13
;
stop_
save_
save__bond.auth_comp_id_1
_item_description.description
;
An alternative identifier for Comp_ID that may be provided by an author
in order to match that used in the publication that describes the experimental data.
;
_item.name '_bond.auth_comp_id_1'
_item.category_id 'bond'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
CYS
;
stop_
save_
save__bond.auth_atom_id_1
_item_description.description
;
An alternative identifier for Atom_ID that may be provided by an author
in order to match that used in the publication that describes the experimental data.
;
_item.name '_bond.auth_atom_id_1'
_item.category_id 'bond'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
SG
;
stop_
save_
save__bond.auth_entity_assembly_id_2
_item_description.description
;
Enter the name given to the biopolymer or ligand as a component of the
molecular system where the second atom in the bond is located. For complex systems
that have many components, this might be something like 'alpha chain 1' or 'heme
3'. A pull down list of the names assigned to the molecular system components
in the section above is provided.
;
_item.name '_bond.auth_entity_assembly_id_2'
_item.category_id 'bond'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
chain 2
;
stop_
save_
save__bond.auth_entity_assembly_name_2
_item_description.description
;
Enter the name given to the biopolymer or ligand as a component of the
molecular system where the second atom in the bond is located. For complex systems
that have many components, this might be something like 'alpha chain 1' or 'heme
3'. A pull down list of the names assigned to the molecular system components
in the section above is provided.
;
_item.name '_bond.auth_entity_assembly_name_2'
_item.category_id 'bond'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
chain 2
;
stop_
save_
save__bond.auth_asym_id_2
_item_description.description
;
An alternative identifier for Asym_ID provided by an author.
;
_item.name '_bond.auth_asym_id_2'
_item.category_id 'bond'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
B
;
stop_
save_
save__bond.auth_seq_id_2
_item_description.description
;
An alternative identifier for Seq_ID that may be provided by an author
in order to match that used in the publication that describes the experimental data.
Note that the value is not required to be a number and does not need to correspond
to the value for Seq_ID or Comp_index_ID.
;
_item.name '_bond.auth_seq_id_2'
_item.category_id 'bond'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
42
;
stop_
save_
save__bond.auth_comp_id_2
_item_description.description
;
An alternative identifier for Comp_ID that may be provided by an author
in order to match that used in the publication that describes the experimental data.
;
_item.name '_bond.auth_comp_id_2'
_item.category_id 'bond'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
CYS
;
stop_
save_
save__bond.auth_atom_id_2
_item_description.description
;
An alternative identifier for Atom_ID that may be provided by an author
in order to match that used in the publication that describes the experimental data.
;
_item.name '_bond.auth_atom_id_2'
_item.category_id 'bond'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
SG
;
stop_
save_
save__bond.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_bond.entry_id'
_item.category_id 'bond'
_item.mandatory_code yes
_item_type.code 'code'
loop_
_item_examples.case
;
50125
;
stop_
save_
save__bond.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_bond.assembly_id'
_item.category_id 'bond'
_item.mandatory_code yes
_item_type.code 'int'
loop_
_item_examples.case
;
1
;
stop_
save_
save_entity_deleted_atom
_category.description
;
Items in the entity_deleted_atom category define the atoms that are deleted from molecular entities when intermolecular bonds are formed to construct the molecular assembly.
;
_category.id 'entity_deleted_atom'
_category.mandatory_code yes
loop_
_category_key.name
'_entity_deleted_atom.id'
'_entity_deleted_atom.entry_id'
'_entity_deleted_atom.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
save_
save__entity_deleted_atom.id
_item_description.description
;
Unique identifier for the listed deleted atom.
;
_item.name '_entity_deleted_atom.id'
_item.category_id 'entity_deleted_atom'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__entity_deleted_atom.entity_atom_list_id
_item_description.description
;
Pointer to '_Entity_atom_list.ID'
;
_item.name '_entity_deleted_atom.entity_atom_list_id'
_item.category_id 'entity_deleted_atom'
_item.mandatory_code no
_item_type.code 'int'
save_
save__entity_deleted_atom.entity_assembly_id
_item_description.description
;
Pointer to '_Entity_assembly.ID'
;
_item.name '_entity_deleted_atom.entity_assembly_id'
_item.category_id 'entity_deleted_atom'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__entity_deleted_atom.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_entity_deleted_atom.entity_id'
_item.category_id 'entity_deleted_atom'
_item.mandatory_code no
_item_type.code 'int'
save_
save__entity_deleted_atom.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_entity_deleted_atom.comp_id'
_item.category_id 'entity_deleted_atom'
_item.mandatory_code no
_item_type.code 'code'
save_
save__entity_deleted_atom.comp_index_id
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_entity_deleted_atom.comp_index_id'
_item.category_id 'entity_deleted_atom'
_item.mandatory_code no
_item_type.code 'int'
save_
save__entity_deleted_atom.seq_id
_item_description.description
;
Pointer to '_Entity_poly_seq.Num'.
;
_item.name '_entity_deleted_atom.seq_id'
_item.category_id 'entity_deleted_atom'
_item.mandatory_code no
_item_type.code 'int'
save_
save__entity_deleted_atom.atom_id
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_entity_deleted_atom.atom_id'
_item.category_id 'entity_deleted_atom'
_item.mandatory_code no
_item_type.code 'atcode'
save_
save__entity_deleted_atom.auth_entity_assembly_id
_item_description.description
;
An alternative identifier for Entity_assembly_ID that may be provided by
an author in order to match that used in the publication that describes the experimental
data. Note that the value is not required to be a number and does not
need to correspond to the value for Entity_assembly_ID.
;
_item.name '_entity_deleted_atom.auth_entity_assembly_id'
_item.category_id 'entity_deleted_atom'
_item.mandatory_code no
_item_type.code 'code'
save_
save__entity_deleted_atom.auth_seq_id
_item_description.description
;
An alternative identifier for Seq_ID that may be provided by an author
in order to match that used in the publication that describes the experimental data.
Note that the value is not required to be a number and does not need to correspond
to the value for Seq_ID or Comp_index_ID.
;
_item.name '_entity_deleted_atom.auth_seq_id'
_item.category_id 'entity_deleted_atom'
_item.mandatory_code no
_item_type.code 'code'
save_
save__entity_deleted_atom.auth_comp_id
_item_description.description
;
An alternative identifier for Comp_ID that may be provided by an author
in order to match that used in the publication that describes the experimental data.
;
_item.name '_entity_deleted_atom.auth_comp_id'
_item.category_id 'entity_deleted_atom'
_item.mandatory_code no
_item_type.code 'code'
save_
save__entity_deleted_atom.auth_atom_id
_item_description.description
;
An alternative identifier for Atom_ID that may be provided by an author
in order to match that used in the publication that describes the experimental data.
;
_item.name '_entity_deleted_atom.auth_atom_id'
_item.category_id 'entity_deleted_atom'
_item.mandatory_code no
_item_type.code 'code'
save_
save__entity_deleted_atom.sf_id
_item_description.description
;
Pointer to '_Assembly.Sf_ID'
;
_item.name '_entity_deleted_atom.sf_id'
_item.category_id 'entity_deleted_atom'
_item.mandatory_code no
_item_type.code 'int'
save_
save__entity_deleted_atom.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity_deleted_atom.entry_id'
_item.category_id 'entity_deleted_atom'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__entity_deleted_atom.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_entity_deleted_atom.assembly_id'
_item.category_id 'entity_deleted_atom'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_struct_asym
_category.description
;
Data items in the struct_asym category record details about the structural elements in the asymmetric unit.
;
_category.id 'struct_asym'
_category.mandatory_code yes
loop_
_category_key.name
'_struct_asym.id'
'_struct_asym.entry_id'
'_struct_asym.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
save_
save__struct_asym.id
_item_description.description
;
The value of '_Struct_asym.ID' must uniquely identify a record in the STRUCT_ASYM
list. Note that this item need not be a number; it can be any unique
identifier.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_struct_asym.id' 'struct_asym' yes
'_entity_assembly.asym_id' 'entity_assembly' yes
'_pdbx_poly_seq_scheme.asym_id' 'pdbx_poly_seq_scheme' yes
'_pdbx_nonpoly_scheme.asym_id' 'pdbx_nonpoly_scheme' yes
'_local_structure_quality.asym_id' 'local_structure_quality' yes
'_atom_site.pdbx_label_asym_id' 'atom_site' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_entity_assembly.asym_id' '_struct_asym.id'
'_pdbx_poly_seq_scheme.asym_id' '_struct_asym.id'
'_pdbx_nonpoly_scheme.asym_id' '_struct_asym.id'
'_local_structure_quality.asym_id' '_struct_asym.id'
'_atom_site.pdbx_label_asym_id' '_struct_asym.id'
stop_
_item_type.code 'code'
loop_
_item_examples.case
;
1
;
stop_
save_
save__struct_asym.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_struct_asym.entity_id'
_item.category_id 'struct_asym'
_item.mandatory_code yes
_item_type.code 'int'
loop_
_item_examples.case
;
1
;
stop_
save_
save__struct_asym.pdbx_blank_pdb_chainid_flag
_item_description.description
;
A flag indicating that this entity was originally labeled with a blank
PDB chain id.
;
_item.name '_struct_asym.pdbx_blank_pdb_chainid_flag'
_item.category_id 'struct_asym'
_item.mandatory_code no
_item_type.code 'yes_no'
loop_
_item_enumeration.value
_item_enumeration.detail
yes ?
no ?
stop_
loop_
_item_examples.case
;
no
;
stop_
save_
save__struct_asym.pdbx_modified
_item_description.description
;
This data item indicates whether the structural elements are modified.
;
_item.name '_struct_asym.pdbx_modified'
_item.category_id 'struct_asym'
_item.mandatory_code no
_item_type.code 'yes_no'
loop_
_item_enumeration.value
_item_enumeration.detail
yes ?
no ?
stop_
loop_
_item_examples.case
;
yes
;
stop_
save_
save__struct_asym.details
_item_description.description
;
A description of special aspects of this portion of the contents of the
asymmetric unit.
;
_item.name '_struct_asym.details'
_item.category_id 'struct_asym'
_item.mandatory_code no
_item_type.code 'text'
save_
save__struct_asym.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_struct_asym.entry_id'
_item.category_id 'struct_asym'
_item.mandatory_code yes
_item_type.code 'code'
loop_
_item_examples.case
;
1
;
stop_
save_
save__struct_asym.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_struct_asym.assembly_id'
_item.category_id 'struct_asym'
_item.mandatory_code yes
_item_type.code 'int'
loop_
_item_examples.case
;
1
;
stop_
save_
save_assembly_db_link
_category.description
;
Items in the assembly_db_link category capture information about databases and accession codes of entries related to the molecular assembly.
;
_category.id 'assembly_db_link'
_category.mandatory_code yes
loop_
_category_key.name
'_assembly_db_link.database_code'
'_assembly_db_link.accession_code'
'_assembly_db_link.entry_id'
'_assembly_db_link.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
save_
save__assembly_db_link.author_supplied
_item_description.description
;
Flag indicating if the database accession number was supplied by the author .
;
_item.name '_assembly_db_link.author_supplied'
_item.category_id 'assembly_db_link'
_item.mandatory_code yes
_item_type.code 'yes_no'
_item_default.value 'yes'
loop_
_item_enumeration.value
_item_enumeration.detail
yes ?
no ?
stop_
loop_
_item_examples.case
;
yes
;
stop_
save_
save__assembly_db_link.database_code
_item_description.description
;
Abbreviation for the database
;
_item.name '_assembly_db_link.database_code'
_item.category_id 'assembly_db_link'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
_item_default.value 'PDB'
loop_
_item_enumeration.value
_item_enumeration.detail
PDB 'Protein Data Bank'
BMRB 'BioMagResBank'
DBJ ?
EMBL ?
GB ?
PIR ?
PRF ?
REF ?
SP ?
UNP ?
NCBI ?
PubMed 'NCBI PubMed'
SGD 'Saccharomyces Genome Database'
SMART 'Simple Modular Architecture Research Tool'
TargetDB 'Target registration database'
BMRB(withdrawn) 'BMRB withdrawn accession code'
stop_
loop_
_item_examples.case
;
PDB
;
stop_
save_
save__assembly_db_link.accession_code
_item_description.description
;
Accession code for the entry in the database.
;
_item.name '_assembly_db_link.accession_code'
_item.category_id 'assembly_db_link'
_item.mandatory_code yes
_item_type.code 'code'
loop_
_item_examples.case
;
1brv
;
stop_
save_
save__assembly_db_link.entry_mol_code
_item_description.description
;
Code given to the molecule by the database where the entry is located.
;
_item.name '_assembly_db_link.entry_mol_code'
_item.category_id 'assembly_db_link'
_item.mandatory_code no
_item_type.code 'line'
save_
save__assembly_db_link.entry_mol_name
_item_description.description
;
Name of the molecular assembly in the database entry.
;
_item.name '_assembly_db_link.entry_mol_name'
_item.category_id 'assembly_db_link'
_item.mandatory_code no
_item_type.code 'line'
save_
save__assembly_db_link.entry_experimental_method
_item_description.description
;
Experimental method used to generate the data in the database entry.
;
_item.name '_assembly_db_link.entry_experimental_method'
_item.category_id 'assembly_db_link'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
X-ray ?
'solution NMR' ?
'solid-state NMR' ?
FTIR ?
'mass spectrometry' ?
XAFS ?
NMR ?
'X-ray crystallography' ?
'X-ray fiber diffraction' ?
'solid-state NMR and X-ray fiber diffraction' ?
na ?
stop_
loop_
_item_examples.case
;
X-ray
;
stop_
save_
save__assembly_db_link.entry_structure_resolution
_item_description.description
;
The resolution of the data in a structure entry.
;
_item.name '_assembly_db_link.entry_structure_resolution'
_item.category_id 'assembly_db_link'
_item.mandatory_code no
_item_type.code 'float'
loop_
_item_examples.case
;
1.3
;
stop_
save_
save__assembly_db_link.entry_relation_type
_item_description.description
;
Relationship between the database entry and this BMRB entry.
;
_item.name '_assembly_db_link.entry_relation_type'
_item.category_id 'assembly_db_link'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
Structure for the free repressor that is bound to DNA in this study.
;
stop_
save_
save__assembly_db_link.entry_details
_item_description.description
;
Any text information relevant to the database entry.
;
_item.name '_assembly_db_link.entry_details'
_item.category_id 'assembly_db_link'
_item.mandatory_code no
_item_type.code 'text'
save_
save__assembly_db_link.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_assembly_db_link.entry_id'
_item.category_id 'assembly_db_link'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__assembly_db_link.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_assembly_db_link.assembly_id'
_item.category_id 'assembly_db_link'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_assembly_common_name
_category.description
;
Items in the assembly_common_name category define common names associated with the molecular assembly.
;
_category.id 'assembly_common_name'
_category.mandatory_code yes
loop_
_category_key.name
'_assembly_common_name.name'
'_assembly_common_name.type'
'_assembly_common_name.entry_id'
'_assembly_common_name.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
save_
save__assembly_common_name.name
_item_description.description
;
Synonyms commonly used to name the molecular assembly.
;
_item.name '_assembly_common_name.name'
_item.category_id 'assembly_common_name'
_item.mandatory_code yes
_item_type.code 'line'
loop_
_item_examples.case
;
p53
;
stop_
save_
save__assembly_common_name.type
_item_description.description
;
Common names may have different types (full names, abbreviations, etc.)
;
_item.name '_assembly_common_name.type'
_item.category_id 'assembly_common_name'
_item.mandatory_code yes
_item_type.code 'line'
loop_
_item_examples.case
;
abbreviation
;
stop_
save_
save__assembly_common_name.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_assembly_common_name.entry_id'
_item.category_id 'assembly_common_name'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__assembly_common_name.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_assembly_common_name.assembly_id'
_item.category_id 'assembly_common_name'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_assembly_systematic_name
_category.description
;
Items in the assembly_systematic_name category capture systematic naming systems and the systematic name for the molecular assembly.
;
_category.id 'assembly_systematic_name'
_category.mandatory_code yes
loop_
_category_key.name
'_assembly_systematic_name.naming_system'
'_assembly_systematic_name.entry_id'
'_assembly_systematic_name.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
save_
save__assembly_systematic_name.name
_item_description.description
;
Name for the molecular assembly that has been assigned by an organization
or derived using rules defined by an organization recognized by the scientific
community.
;
_item.name '_assembly_systematic_name.name'
_item.category_id 'assembly_systematic_name'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__assembly_systematic_name.naming_system
_item_description.description
;
A recognized or common systematic method used to name molecules and molecular
systems.
;
_item.name '_assembly_systematic_name.naming_system'
_item.category_id 'assembly_systematic_name'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
IUPAC ?
'CAS name' ?
'CAS registry number' ?
BMRB ?
Pfam ?
Swiss-Prot ?
MEROPS ?
stop_
loop_
_item_examples.case
;
CAS
;
stop_
save_
save__assembly_systematic_name.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_assembly_systematic_name.entry_id'
_item.category_id 'assembly_systematic_name'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__assembly_systematic_name.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_assembly_systematic_name.assembly_id'
_item.category_id 'assembly_systematic_name'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_assembly_interaction
_category.description
;
Items in the assembly_interaction category capture information about the types of interactions between components of the molecular assembly.
;
_category.id 'assembly_interaction'
_category.mandatory_code yes
loop_
_category_key.name
'_assembly_interaction.id'
'_assembly_interaction.entry_id'
'_assembly_interaction.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
save_
save__assembly_interaction.id
_item_description.description
;
Unique identifier for the interaction between two components of the assembly.
;
_item.name '_assembly_interaction.id'
_item.category_id 'assembly_interaction'
_item.mandatory_code yes
_item_type.code 'int'
loop_
_item_examples.case
;
1
;
stop_
save_
save__assembly_interaction.entity_assembly_id_1
_item_description.description
;
Identifier for the first component of the assembly that is involved interaction.
Pointer to '_Entity_assembly.ID'
;
_item.name '_assembly_interaction.entity_assembly_id_1'
_item.category_id 'assembly_interaction'
_item.mandatory_code yes
_item_type.code 'int'
loop_
_item_examples.case
;
1
;
stop_
save_
save__assembly_interaction.entity_assembly_id_2
_item_description.description
;
Identifier for the second component of the assembly involved in the interaction.
Pointer to '_Entity_assembly.ID'
;
_item.name '_assembly_interaction.entity_assembly_id_2'
_item.category_id 'assembly_interaction'
_item.mandatory_code yes
_item_type.code 'int'
loop_
_item_examples.case
;
2
;
stop_
save_
save__assembly_interaction.mol_interaction_type
_item_description.description
;
The kind of interaction two components of the molecular assembly are undergoing
in the sample.
;
_item.name '_assembly_interaction.mol_interaction_type'
_item.category_id 'assembly_interaction'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
'Extremely slow exchange' ?
'Slow exchange' ?
'Intermediate exchange' ?
'Fast exchange' ?
'No interaction' ?
na ?
stop_
loop_
_item_examples.case
;
protein-protein
;
stop_
save_
save__assembly_interaction.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_assembly_interaction.entry_id'
_item.category_id 'assembly_interaction'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__assembly_interaction.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_assembly_interaction.assembly_id'
_item.category_id 'assembly_interaction'
_item.mandatory_code yes
_item_type.code 'int'
loop_
_item_examples.case
;
1
;
stop_
save_
save_chem_comp_assembly
_category.description
;
Items in the chem_comp_assembly category provide chemical component level nomenclature and mappings across both biopolymer and non-polymer components of the molecular assembly.
;
_category.id 'chem_comp_assembly'
_category.mandatory_code yes
loop_
_category_key.name
'_chem_comp_assembly.entity_assembly_id'
'_chem_comp_assembly.comp_index_id'
'_chem_comp_assembly.entry_id'
'_chem_comp_assembly.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
save_
save__chem_comp_assembly.assembly_chem_comp_id
_item_description.description
;
A sequence number from a sequence numbering scheme employed because of
a requirement of a software applications.
;
_item.name '_chem_comp_assembly.assembly_chem_comp_id'
_item.category_id 'chem_comp_assembly'
_item.mandatory_code no
_item_type.code 'code'
save_
save__chem_comp_assembly.entity_assembly_id
_item_description.description
;
Pointer to '_Entity_assembly.ID'
;
_item.name '_chem_comp_assembly.entity_assembly_id'
_item.category_id 'chem_comp_assembly'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__chem_comp_assembly.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_chem_comp_assembly.entity_id'
_item.category_id 'chem_comp_assembly'
_item.mandatory_code no
_item_type.code 'int'
save_
save__chem_comp_assembly.comp_index_id
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_chem_comp_assembly.comp_index_id'
_item.category_id 'chem_comp_assembly'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__chem_comp_assembly.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_chem_comp_assembly.comp_id'
_item.category_id 'chem_comp_assembly'
_item.mandatory_code no
_item_type.code 'code'
save_
save__chem_comp_assembly.seq_id
_item_description.description
;
Pointer to '_Entity_poly_seq.Num'
;
_item.name '_chem_comp_assembly.seq_id'
_item.category_id 'chem_comp_assembly'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__chem_comp_assembly.auth_entity_assembly_id
_item_description.description
;
An alternative identifier for Entity_assembly_ID that may be provided by
an author in order to match that used in the publication that describes the experimental
data. Note that the value is not required to be a number and does not
need to correspond to the value for Entity_assembly_ID.
;
_item.name '_chem_comp_assembly.auth_entity_assembly_id'
_item.category_id 'chem_comp_assembly'
_item.mandatory_code no
_item_type.code 'code'
save_
save__chem_comp_assembly.auth_asym_id
_item_description.description
;
An alternative identifier for _atom_site.label_asym_ID that may be provided
by an author in order to match the identification used in the publication that
describes the structure.
;
_item.name '_chem_comp_assembly.auth_asym_id'
_item.category_id 'chem_comp_assembly'
_item.mandatory_code no
_item_type.code 'code'
save_
save__chem_comp_assembly.auth_seq_id
_item_description.description
;
An alternative identifier for Seq_ID that may be provided by an author
in order to match that used in the publication that describes the experimental data.
Note that the value is not required to be a number and does not need to correspond
to the value for Seq_ID or Comp_index_ID.
;
_item.name '_chem_comp_assembly.auth_seq_id'
_item.category_id 'chem_comp_assembly'
_item.mandatory_code no
_item_type.code 'code'
save_
save__chem_comp_assembly.auth_comp_id
_item_description.description
;
An alternative identifier for Comp_ID that may be provided by an author
in order to match that used in the publication that describes the experimental data.
;
_item.name '_chem_comp_assembly.auth_comp_id'
_item.category_id 'chem_comp_assembly'
_item.mandatory_code no
_item_type.code 'code'
save_
save__chem_comp_assembly.auth_variant_id
_item_description.description
;
An alternative identifier that describes a variant of the chemical component.
;
_item.name '_chem_comp_assembly.auth_variant_id'
_item.category_id 'chem_comp_assembly'
_item.mandatory_code no
_item_type.code 'code'
save_
save__chem_comp_assembly.sequence_linking
_item_description.description
;
A code to describe sequential linking status of the chemical component
(residue) in the molecular assembly.
;
_item.name '_chem_comp_assembly.sequence_linking'
_item.category_id 'chem_comp_assembly'
_item.mandatory_code no
_item_type.code 'code'
save_
save__chem_comp_assembly.cis_residue
_item_description.description
;
A flag indicating if the residue has a cis peptide bond conformation.
;
_item.name '_chem_comp_assembly.cis_residue'
_item.category_id 'chem_comp_assembly'
_item.mandatory_code no
_item_type.code 'yes_no'
loop_
_item_enumeration.value
_item_enumeration.detail
yes ?
no ?
stop_
save_
save__chem_comp_assembly.nef_index
_item_description.description
;
A value imported from NEF files. A row number from the polymer sequence
table in a NEF file.
;
_item.name '_chem_comp_assembly.nef_index'
_item.category_id 'chem_comp_assembly'
_item.mandatory_code no
_item_type.code 'int'
save_
save__chem_comp_assembly.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_chem_comp_assembly.entry_id'
_item.category_id 'chem_comp_assembly'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__chem_comp_assembly.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_chem_comp_assembly.assembly_id'
_item.category_id 'chem_comp_assembly'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_pdbx_poly_seq_scheme
_category.description
;
Items in the PDBX_poly_seq_scheme category provide residue level nomenclature mapping for polymer entities.
;
_category.id 'pdbx_poly_seq_scheme'
_category.mandatory_code yes
loop_
_category_key.name
'_pdbx_poly_seq_scheme.entity_assembly_id'
'_pdbx_poly_seq_scheme.comp_index_id'
'_pdbx_poly_seq_scheme.entry_id'
'_pdbx_poly_seq_scheme.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
save_
save__pdbx_poly_seq_scheme.entity_assembly_id
_item_description.description
;
Pointer to '_Entity_assembly.ID'
;
_item.name '_pdbx_poly_seq_scheme.entity_assembly_id'
_item.category_id 'pdbx_poly_seq_scheme'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__pdbx_poly_seq_scheme.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_pdbx_poly_seq_scheme.entity_id'
_item.category_id 'pdbx_poly_seq_scheme'
_item.mandatory_code no
_item_type.code 'int'
save_
save__pdbx_poly_seq_scheme.comp_index_id
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_pdbx_poly_seq_scheme.comp_index_id'
_item.category_id 'pdbx_poly_seq_scheme'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__pdbx_poly_seq_scheme.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_pdbx_poly_seq_scheme.comp_id'
_item.category_id 'pdbx_poly_seq_scheme'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__pdbx_poly_seq_scheme.comp_label
_item_description.description
;
Pointer to a saveframe of the category chem_comp.
;
_item.name '_pdbx_poly_seq_scheme.comp_label'
_item.category_id 'pdbx_poly_seq_scheme'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__pdbx_poly_seq_scheme.asym_id
_item_description.description
;
Pointer to '_Struct_asym.ID'
;
_item.name '_pdbx_poly_seq_scheme.asym_id'
_item.category_id 'pdbx_poly_seq_scheme'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
1;A:2B3
;
stop_
save_
save__pdbx_poly_seq_scheme.seq_id
_item_description.description
;
Pointer to '_Entity_poly_seq.Num'
;
_item.name '_pdbx_poly_seq_scheme.seq_id'
_item.category_id 'pdbx_poly_seq_scheme'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__pdbx_poly_seq_scheme.mon_id
_item_description.description
;
Pointer to '_Entity_poly_seq.Mon_ID'
;
_item.name '_pdbx_poly_seq_scheme.mon_id'
_item.category_id 'pdbx_poly_seq_scheme'
_item.mandatory_code no
_item_type.code 'code'
save_
save__pdbx_poly_seq_scheme.hetero
_item_description.description
;
Flag indicating if the sequence is heterogeneous at the position.
;
_item.name '_pdbx_poly_seq_scheme.hetero'
_item.category_id 'pdbx_poly_seq_scheme'
_item.mandatory_code no
_item_type.code 'ucode'
loop_
_item_enumeration.value
_item_enumeration.detail
no ?
yes ?
stop_
loop_
_item_examples.case
;
no
;
stop_
save_
save__pdbx_poly_seq_scheme.pdb_seq_num
_item_description.description
;
PDB residue number.
;
_item.name '_pdbx_poly_seq_scheme.pdb_seq_num'
_item.category_id 'pdbx_poly_seq_scheme'
_item.mandatory_code no
_item_type.code 'code'
save_
save__pdbx_poly_seq_scheme.pdb_mon_id
_item_description.description
;
PDB residue name.
;
_item.name '_pdbx_poly_seq_scheme.pdb_mon_id'
_item.category_id 'pdbx_poly_seq_scheme'
_item.mandatory_code no
_item_type.code 'code'
save_
save__pdbx_poly_seq_scheme.pdb_chain_id
_item_description.description
;
PDB strand/chain id.
;
_item.name '_pdbx_poly_seq_scheme.pdb_chain_id'
_item.category_id 'pdbx_poly_seq_scheme'
_item.mandatory_code no
_item_type.code 'code'
save_
save__pdbx_poly_seq_scheme.pdb_ins_code
_item_description.description
;
PDB insertion code.
;
_item.name '_pdbx_poly_seq_scheme.pdb_ins_code'
_item.category_id 'pdbx_poly_seq_scheme'
_item.mandatory_code no
_item_type.code 'code'
save_
save__pdbx_poly_seq_scheme.auth_seq_num
_item_description.description
;
Pointer to '_Atom_site.Auth_seq_ID'
;
_item.name '_pdbx_poly_seq_scheme.auth_seq_num'
_item.category_id 'pdbx_poly_seq_scheme'
_item.mandatory_code no
_item_type.code 'code'
save_
save__pdbx_poly_seq_scheme.auth_mon_id
_item_description.description
;
Pointer to '_Atom_site.Auth_comp_ID'
;
_item.name '_pdbx_poly_seq_scheme.auth_mon_id'
_item.category_id 'pdbx_poly_seq_scheme'
_item.mandatory_code no
_item_type.code 'code'
save_
save__pdbx_poly_seq_scheme.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_pdbx_poly_seq_scheme.entry_id'
_item.category_id 'pdbx_poly_seq_scheme'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__pdbx_poly_seq_scheme.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_pdbx_poly_seq_scheme.assembly_id'
_item.category_id 'pdbx_poly_seq_scheme'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_pdbx_nonpoly_scheme
_category.description
;
Items in the PDBX_nonpoly_scheme category provide residue level nomenclature mapping for non-polymer entities.
;
_category.id 'pdbx_nonpoly_scheme'
_category.mandatory_code yes
loop_
_category_key.name
'_pdbx_nonpoly_scheme.entity_assembly_id'
'_pdbx_nonpoly_scheme.entry_id'
'_pdbx_nonpoly_scheme.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
save_
save__pdbx_nonpoly_scheme.entity_assembly_id
_item_description.description
;
Pointer to '_Entity_assembly.ID'
;
_item.name '_pdbx_nonpoly_scheme.entity_assembly_id'
_item.category_id 'pdbx_nonpoly_scheme'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__pdbx_nonpoly_scheme.asym_id
_item_description.description
;
Pointer to '_Struct_asym.ID'
;
_item.name '_pdbx_nonpoly_scheme.asym_id'
_item.category_id 'pdbx_nonpoly_scheme'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__pdbx_nonpoly_scheme.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_pdbx_nonpoly_scheme.entity_id'
_item.category_id 'pdbx_nonpoly_scheme'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__pdbx_nonpoly_scheme.mon_id
_item_description.description
;
Pointer to _Atom_site.Label_comp_ID'
;
_item.name '_pdbx_nonpoly_scheme.mon_id'
_item.category_id 'pdbx_nonpoly_scheme'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__pdbx_nonpoly_scheme.comp_index_id
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_pdbx_nonpoly_scheme.comp_index_id'
_item.category_id 'pdbx_nonpoly_scheme'
_item.mandatory_code no
_item_type.code 'int'
save_
save__pdbx_nonpoly_scheme.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_pdbx_nonpoly_scheme.comp_id'
_item.category_id 'pdbx_nonpoly_scheme'
_item.mandatory_code no
_item_type.code 'code'
save_
save__pdbx_nonpoly_scheme.pdb_seq_num
_item_description.description
;
PDB residue number.
;
_item.name '_pdbx_nonpoly_scheme.pdb_seq_num'
_item.category_id 'pdbx_nonpoly_scheme'
_item.mandatory_code no
_item_type.code 'code'
save_
save__pdbx_nonpoly_scheme.auth_seq_num
_item_description.description
;
Pointer to '_Atom_site.Auth_seq_ID'
;
_item.name '_pdbx_nonpoly_scheme.auth_seq_num'
_item.category_id 'pdbx_nonpoly_scheme'
_item.mandatory_code no
_item_type.code 'code'
save_
save__pdbx_nonpoly_scheme.pdb_mon_id
_item_description.description
;
PDB residue name.
;
_item.name '_pdbx_nonpoly_scheme.pdb_mon_id'
_item.category_id 'pdbx_nonpoly_scheme'
_item.mandatory_code no
_item_type.code 'code'
save_
save__pdbx_nonpoly_scheme.auth_mon_id
_item_description.description
;
Pointer to '_Atom_site.Auth_comp_ID'
;
_item.name '_pdbx_nonpoly_scheme.auth_mon_id'
_item.category_id 'pdbx_nonpoly_scheme'
_item.mandatory_code no
_item_type.code 'code'
save_
save__pdbx_nonpoly_scheme.pdb_strand_id
_item_description.description
;
PDB strand/chain id.
;
_item.name '_pdbx_nonpoly_scheme.pdb_strand_id'
_item.category_id 'pdbx_nonpoly_scheme'
_item.mandatory_code no
_item_type.code 'code'
save_
save__pdbx_nonpoly_scheme.pdb_ins_code
_item_description.description
;
PDB insertion code.
;
_item.name '_pdbx_nonpoly_scheme.pdb_ins_code'
_item.category_id 'pdbx_nonpoly_scheme'
_item.mandatory_code no
_item_type.code 'code'
save_
save__pdbx_nonpoly_scheme.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_pdbx_nonpoly_scheme.entry_id'
_item.category_id 'pdbx_nonpoly_scheme'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__pdbx_nonpoly_scheme.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_pdbx_nonpoly_scheme.assembly_id'
_item.category_id 'pdbx_nonpoly_scheme'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_atom_type
_category.description
;
Items in the atom_type category describe atoms from the periodic table.
;
_category.id 'atom_type'
_category.mandatory_code yes
loop_
_category_key.name
'_atom_type.id'
'_atom_type.entry_id'
'_atom_type.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
save_
save__atom_type.id
_item_description.description
;
Integer value that uniquely defines the atom type. The primary key for
this table.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_atom_type.id' 'atom_type' yes
'_atom.atom_type_id' 'atom' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_atom.atom_type_id' '_atom_type.id'
stop_
_item_type.code 'int'
loop_
_item_examples.case
;
1
;
stop_
save_
save__atom_type.symbol
_item_description.description
;
Standard IUPAC atom symbol
;
_item.name '_atom_type.symbol'
_item.category_id 'atom_type'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
C
;
stop_
save_
save__atom_type.atomic_number
_item_description.description
;
Atom atomic number
;
_item.name '_atom_type.atomic_number'
_item.category_id 'atom_type'
_item.mandatory_code no
_item_type.code 'int'
loop_
_item_examples.case
;
6
;
stop_
save_
save__atom_type.isotope_number
_item_description.description
;
Atom mass number
;
_item.name '_atom_type.isotope_number'
_item.category_id 'atom_type'
_item.mandatory_code no
_item_type.code 'int'
loop_
_item_examples.case
;
13
;
stop_
save_
save__atom_type.oxidation_number
_item_description.description
;
Atom oxidation number
;
_item.name '_atom_type.oxidation_number'
_item.category_id 'atom_type'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
0
;
stop_
save_
save__atom_type.paramagnetic
_item_description.description
;
Flag indicating if the atom is paramagnetic.
;
_item.name '_atom_type.paramagnetic'
_item.category_id 'atom_type'
_item.mandatory_code no
_item_type.code 'yes_no'
loop_
_item_enumeration.value
_item_enumeration.detail
yes ?
no ?
stop_
loop_
_item_examples.case
;
no
;
stop_
save_
save__atom_type.electron_configuration
_item_description.description
;
Electron configuration for the atom
;
_item.name '_atom_type.electron_configuration'
_item.category_id 'atom_type'
_item.mandatory_code no
_item_type.code 'line'
save_
save__atom_type.unpaired_electron_number
_item_description.description
;
Number of unpaired electrons on the atom
;
_item.name '_atom_type.unpaired_electron_number'
_item.category_id 'atom_type'
_item.mandatory_code no
_item_type.code 'int'
loop_
_item_examples.case
;
0
;
stop_
save_
save__atom_type.atomic_mass
_item_description.description
;
Atom atomic mass
;
_item.name '_atom_type.atomic_mass'
_item.category_id 'atom_type'
_item.mandatory_code no
_item_type.code 'float'
save_
save__atom_type.van_der_vaals_radii
_item_description.description
;
van der Valls radii for the atom
;
_item.name '_atom_type.van_der_vaals_radii'
_item.category_id 'atom_type'
_item.mandatory_code no
_item_type.code 'float'
save_
save__atom_type.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_atom_type.entry_id'
_item.category_id 'atom_type'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__atom_type.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_atom_type.assembly_id'
_item.category_id 'atom_type'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_atom
_category.description
;
Items in the atom category provide atom level nomenclature and mappings for polymer and non-polymer components in the molecular assembly.
;
_category.id 'atom'
_category.mandatory_code yes
loop_
_category_key.name
'_atom.assembly_atom_id'
'_atom.entry_id'
'_atom.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
save_
save__atom.assembly_atom_id
_item_description.description
;
A value that uniquely identifies the atom from all other atoms in the molecular
assembly.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_atom.assembly_atom_id' 'atom' yes
'_bond.assembly_atom_id_1' 'bond' yes
'_bond.assembly_atom_id_2' 'bond' yes
'_angle.assembly_atom_id_1' 'angle' yes
'_angle.assembly_atom_id_2' 'angle' yes
'_angle.assembly_atom_id_3' 'angle' yes
'_torsion_angle.assembly_atom_id_1' 'torsion_angle' yes
'_torsion_angle.assembly_atom_id_2' 'torsion_angle' yes
'_torsion_angle.assembly_atom_id_3' 'torsion_angle' yes
'_torsion_angle.assembly_atom_id_4' 'torsion_angle' yes
'_assembly_segment.assembly_atom_id' 'assembly_segment' yes
'_author_annotation.assembly_atom_id' 'author_annotation' yes
'_sample_component_atom_isotope.assembly_atom_id' 'sample_component_atom_isotope' yes
'_atom_chem_shift.assembly_atom_id' 'atom_chem_shift' yes
'_theoretical_chem_shift.assembly_atom_id' 'theoretical_chem_shift' yes
'_coupling_constant.assembly_atom_id_1' 'coupling_constant' yes
'_coupling_constant.assembly_atom_id_2' 'coupling_constant' yes
'_theoretical_coupling_constant.assembly_atom_id_1' 'theoretical_coupling_constant' yes
'_theoretical_coupling_constant.assembly_atom_id_2' 'theoretical_coupling_constant' yes
'_assigned_peak_chem_shift.assembly_atom_id' 'assigned_peak_chem_shift' yes
'_assigned_spectral_transition.assembly_atom_id' 'assigned_spectral_transition' yes
'_resonance_assignment.assembly_atom_id' 'resonance_assignment' yes
'_isotope_effect.assembly_atom_id' 'isotope_effect' yes
'_isotope_label_pattern.assembly_atom_id' 'isotope_label_pattern' yes
'_chem_shift_perturbation.assembly_atom_id' 'chem_shift_perturbation' yes
'_cs_anisotropy.assembly_atom_id' 'cs_anisotropy' yes
'_rdc.assembly_atom_id_1' 'rdc' yes
'_rdc.assembly_atom_id_2' 'rdc' yes
'_dipolar_coupling.assembly_atom_id_1' 'dipolar_coupling' yes
'_dipolar_coupling.assembly_atom_id_2' 'dipolar_coupling' yes
'_spectral_density.assembly_atom_id' 'spectral_density' yes
'_other_data.assembly_atom_id' 'other_data' yes
'_chemical_rate.assembly_atom_id' 'chemical_rate' yes
'_h_exch_rate.assembly_atom_id' 'h_exch_rate' yes
'_h_exch_protection_factor.assembly_atom_id' 'h_exch_protection_factor' yes
'_homonucl_noe.assembly_atom_id_1' 'homonucl_noe' yes
'_homonucl_noe.assembly_atom_id_2' 'homonucl_noe' yes
'_heteronucl_noe.assembly_atom_id_1' 'heteronucl_noe' yes
'_heteronucl_noe.assembly_atom_id_2' 'heteronucl_noe' yes
'_theoretical_heteronucl_noe.assembly_atom_id_1' 'theoretical_heteronucl_noe' yes
'_theoretical_heteronucl_noe.assembly_atom_id_2' 'theoretical_heteronucl_noe' yes
'_t1.assembly_atom_id' 't1' yes
'_theoretical_t1.assembly_atom_id' 'theoretical_t1' yes
'_t1rho.assembly_atom_id' 't1rho' yes
'_t2.assembly_atom_id' 't2' yes
'_theoretical_t2.assembly_atom_id' 'theoretical_t2' yes
'_auto_relaxation.assembly_atom_id' 'auto_relaxation' yes
'_theoretical_auto_relaxation.assembly_atom_id' 'theoretical_auto_relaxation' yes
'_dipole_dipole_relax.assembly_atom_id_1' 'dipole_dipole_relax' yes
'_dipole_dipole_relax.assembly_atom_id_2' 'dipole_dipole_relax' yes
'_cross_correlation_dd.dipole_1_assembly_atom_id_1' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_1_assembly_atom_id_2' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_2_assembly_atom_id_1' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_2_assembly_atom_id_2' 'cross_correlation_dd' yes
'_theoretical_cross_correlation_dd.dipole_1_assembly_atom_id_1' 'theoretical_cross_correlation_dd' yes
'_theoretical_cross_correlation_dd.dipole_1_assembly_atom_id_2' 'theoretical_cross_correlation_dd' yes
'_theoretical_cross_correlation_dd.dipole_2_assembly_atom_id_1' 'theoretical_cross_correlation_dd' yes
'_theoretical_cross_correlation_dd.dipole_2_assembly_atom_id_2' 'theoretical_cross_correlation_dd' yes
'_cross_correlation_d_csa.dipole_assembly_atom_id_1' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.dipole_assembly_atom_id_2' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.csa_assembly_atom_id_1' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.csa_assembly_atom_id_2' 'cross_correlation_d_csa' yes
'_order_param.assembly_atom_id' 'order_param' yes
'_ph_titr_result.atm_obs_assembly_atom_id' 'ph_titr_result' yes
'_ph_titr_result.atm_titr_assembly_atom_id' 'ph_titr_result' yes
'_d_h_fractionation_factor.assembly_atom_id' 'd_h_fractionation_factor' yes
'_binding_result.atm_obs_assembly_atom_id' 'binding_result' yes
'_deduced_secd_struct_feature.assembly_atom_id' 'deduced_secd_struct_feature' yes
'_deduced_h_bond.heavy_atom_assembly_atom_id_1' 'deduced_h_bond' yes
'_deduced_h_bond.heavy_atom_assembly_atom_id_2' 'deduced_h_bond' yes
'_deduced_h_bond.h_atom_assembly_atom_id' 'deduced_h_bond' yes
'_atom_site.assembly_atom_id' 'atom_site' yes
'_rep_conf.assembly_atom_id' 'rep_conf' yes
'_angular_order_param.assembly_atom_id' 'angular_order_param' yes
'_tertiary_struct.assembly_atom_id' 'tertiary_struct' yes
'_bond_annotation.assembly_atom_id_1' 'bond_annotation' yes
'_bond_annotation.assembly_atom_id_2' 'bond_annotation' yes
'_structure_interaction.assembly_atom_id_1' 'structure_interaction' yes
'_structure_interaction.assembly_atom_id_2' 'structure_interaction' yes
'_tensor.assembly_atom_id' 'tensor' yes
'_interatomic_dist.assembly_atom_id_1' 'interatomic_dist' yes
'_interatomic_dist.assembly_atom_id_2' 'interatomic_dist' yes
'_gen_dist_constraint.assembly_atom_id_1' 'gen_dist_constraint' yes
'_gen_dist_constraint.assembly_atom_id_2' 'gen_dist_constraint' yes
'_dist_constraint.assembly_atom_id' 'dist_constraint' yes
'_floating_chirality.assembly_atom_id_1' 'floating_chirality' yes
'_floating_chirality.assembly_atom_id_2' 'floating_chirality' yes
'_torsion_angle_constraint.assembly_atom_id_1' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.assembly_atom_id_2' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.assembly_atom_id_3' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.assembly_atom_id_4' 'torsion_angle_constraint' yes
'_rdc_constraint.assembly_atom_id_1' 'rdc_constraint' yes
'_rdc_constraint.assembly_atom_id_2' 'rdc_constraint' yes
'_j_three_bond_constraint.assembly_atom_id_1' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.assembly_atom_id_2' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.assembly_atom_id_3' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.assembly_atom_id_4' 'j_three_bond_constraint' yes
'_ca_cb_constraint.assembly_atom_id_1' 'ca_cb_constraint' yes
'_ca_cb_constraint.assembly_atom_id_2' 'ca_cb_constraint' yes
'_ca_cb_constraint.assembly_atom_id_3' 'ca_cb_constraint' yes
'_ca_cb_constraint.assembly_atom_id_4' 'ca_cb_constraint' yes
'_ca_cb_constraint.assembly_atom_id_5' 'ca_cb_constraint' yes
'_h_chem_shift_constraint.assembly_atom_id' 'h_chem_shift_constraint' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_bond.assembly_atom_id_1' '_atom.assembly_atom_id'
'_bond.assembly_atom_id_2' '_atom.assembly_atom_id'
'_angle.assembly_atom_id_1' '_atom.assembly_atom_id'
'_angle.assembly_atom_id_2' '_atom.assembly_atom_id'
'_angle.assembly_atom_id_3' '_atom.assembly_atom_id'
'_torsion_angle.assembly_atom_id_1' '_atom.assembly_atom_id'
'_torsion_angle.assembly_atom_id_2' '_atom.assembly_atom_id'
'_torsion_angle.assembly_atom_id_3' '_atom.assembly_atom_id'
'_torsion_angle.assembly_atom_id_4' '_atom.assembly_atom_id'
'_assembly_segment.assembly_atom_id' '_atom.assembly_atom_id'
'_author_annotation.assembly_atom_id' '_atom.assembly_atom_id'
'_sample_component_atom_isotope.assembly_atom_id' '_atom.assembly_atom_id'
'_atom_chem_shift.assembly_atom_id' '_atom.assembly_atom_id'
'_theoretical_chem_shift.assembly_atom_id' '_atom.assembly_atom_id'
'_coupling_constant.assembly_atom_id_1' '_atom.assembly_atom_id'
'_coupling_constant.assembly_atom_id_2' '_atom.assembly_atom_id'
'_theoretical_coupling_constant.assembly_atom_id_1' '_atom.assembly_atom_id'
'_theoretical_coupling_constant.assembly_atom_id_2' '_atom.assembly_atom_id'
'_assigned_peak_chem_shift.assembly_atom_id' '_atom.assembly_atom_id'
'_assigned_spectral_transition.assembly_atom_id' '_atom.assembly_atom_id'
'_resonance_assignment.assembly_atom_id' '_atom.assembly_atom_id'
'_isotope_effect.assembly_atom_id' '_atom.assembly_atom_id'
'_isotope_label_pattern.assembly_atom_id' '_atom.assembly_atom_id'
'_chem_shift_perturbation.assembly_atom_id' '_atom.assembly_atom_id'
'_cs_anisotropy.assembly_atom_id' '_atom.assembly_atom_id'
'_rdc.assembly_atom_id_1' '_atom.assembly_atom_id'
'_rdc.assembly_atom_id_2' '_atom.assembly_atom_id'
'_dipolar_coupling.assembly_atom_id_1' '_atom.assembly_atom_id'
'_dipolar_coupling.assembly_atom_id_2' '_atom.assembly_atom_id'
'_spectral_density.assembly_atom_id' '_atom.assembly_atom_id'
'_other_data.assembly_atom_id' '_atom.assembly_atom_id'
'_chemical_rate.assembly_atom_id' '_atom.assembly_atom_id'
'_h_exch_rate.assembly_atom_id' '_atom.assembly_atom_id'
'_h_exch_protection_factor.assembly_atom_id' '_atom.assembly_atom_id'
'_homonucl_noe.assembly_atom_id_1' '_atom.assembly_atom_id'
'_homonucl_noe.assembly_atom_id_2' '_atom.assembly_atom_id'
'_heteronucl_noe.assembly_atom_id_1' '_atom.assembly_atom_id'
'_heteronucl_noe.assembly_atom_id_2' '_atom.assembly_atom_id'
'_theoretical_heteronucl_noe.assembly_atom_id_1' '_atom.assembly_atom_id'
'_theoretical_heteronucl_noe.assembly_atom_id_2' '_atom.assembly_atom_id'
'_t1.assembly_atom_id' '_atom.assembly_atom_id'
'_theoretical_t1.assembly_atom_id' '_atom.assembly_atom_id'
'_t1rho.assembly_atom_id' '_atom.assembly_atom_id'
'_t2.assembly_atom_id' '_atom.assembly_atom_id'
'_theoretical_t2.assembly_atom_id' '_atom.assembly_atom_id'
'_auto_relaxation.assembly_atom_id' '_atom.assembly_atom_id'
'_theoretical_auto_relaxation.assembly_atom_id' '_atom.assembly_atom_id'
'_dipole_dipole_relax.assembly_atom_id_1' '_atom.assembly_atom_id'
'_dipole_dipole_relax.assembly_atom_id_2' '_atom.assembly_atom_id'
'_cross_correlation_dd.dipole_1_assembly_atom_id_1' '_atom.assembly_atom_id'
'_cross_correlation_dd.dipole_1_assembly_atom_id_2' '_atom.assembly_atom_id'
'_cross_correlation_dd.dipole_2_assembly_atom_id_1' '_atom.assembly_atom_id'
'_cross_correlation_dd.dipole_2_assembly_atom_id_2' '_atom.assembly_atom_id'
'_theoretical_cross_correlation_dd.dipole_1_assembly_atom_id_1' '_atom.assembly_atom_id'
'_theoretical_cross_correlation_dd.dipole_1_assembly_atom_id_2' '_atom.assembly_atom_id'
'_theoretical_cross_correlation_dd.dipole_2_assembly_atom_id_1' '_atom.assembly_atom_id'
'_theoretical_cross_correlation_dd.dipole_2_assembly_atom_id_2' '_atom.assembly_atom_id'
'_cross_correlation_d_csa.dipole_assembly_atom_id_1' '_atom.assembly_atom_id'
'_cross_correlation_d_csa.dipole_assembly_atom_id_2' '_atom.assembly_atom_id'
'_cross_correlation_d_csa.csa_assembly_atom_id_1' '_atom.assembly_atom_id'
'_cross_correlation_d_csa.csa_assembly_atom_id_2' '_atom.assembly_atom_id'
'_order_param.assembly_atom_id' '_atom.assembly_atom_id'
'_ph_titr_result.atm_obs_assembly_atom_id' '_atom.assembly_atom_id'
'_ph_titr_result.atm_titr_assembly_atom_id' '_atom.assembly_atom_id'
'_d_h_fractionation_factor.assembly_atom_id' '_atom.assembly_atom_id'
'_binding_result.atm_obs_assembly_atom_id' '_atom.assembly_atom_id'
'_deduced_secd_struct_feature.assembly_atom_id' '_atom.assembly_atom_id'
'_deduced_h_bond.heavy_atom_assembly_atom_id_1' '_atom.assembly_atom_id'
'_deduced_h_bond.heavy_atom_assembly_atom_id_2' '_atom.assembly_atom_id'
'_deduced_h_bond.h_atom_assembly_atom_id' '_atom.assembly_atom_id'
'_atom_site.assembly_atom_id' '_atom.assembly_atom_id'
'_rep_conf.assembly_atom_id' '_atom.assembly_atom_id'
'_angular_order_param.assembly_atom_id' '_atom.assembly_atom_id'
'_tertiary_struct.assembly_atom_id' '_atom.assembly_atom_id'
'_bond_annotation.assembly_atom_id_1' '_atom.assembly_atom_id'
'_bond_annotation.assembly_atom_id_2' '_atom.assembly_atom_id'
'_structure_interaction.assembly_atom_id_1' '_atom.assembly_atom_id'
'_structure_interaction.assembly_atom_id_2' '_atom.assembly_atom_id'
'_tensor.assembly_atom_id' '_atom.assembly_atom_id'
'_interatomic_dist.assembly_atom_id_1' '_atom.assembly_atom_id'
'_interatomic_dist.assembly_atom_id_2' '_atom.assembly_atom_id'
'_gen_dist_constraint.assembly_atom_id_1' '_atom.assembly_atom_id'
'_gen_dist_constraint.assembly_atom_id_2' '_atom.assembly_atom_id'
'_dist_constraint.assembly_atom_id' '_atom.assembly_atom_id'
'_floating_chirality.assembly_atom_id_1' '_atom.assembly_atom_id'
'_floating_chirality.assembly_atom_id_2' '_atom.assembly_atom_id'
'_torsion_angle_constraint.assembly_atom_id_1' '_atom.assembly_atom_id'
'_torsion_angle_constraint.assembly_atom_id_2' '_atom.assembly_atom_id'
'_torsion_angle_constraint.assembly_atom_id_3' '_atom.assembly_atom_id'
'_torsion_angle_constraint.assembly_atom_id_4' '_atom.assembly_atom_id'
'_rdc_constraint.assembly_atom_id_1' '_atom.assembly_atom_id'
'_rdc_constraint.assembly_atom_id_2' '_atom.assembly_atom_id'
'_j_three_bond_constraint.assembly_atom_id_1' '_atom.assembly_atom_id'
'_j_three_bond_constraint.assembly_atom_id_2' '_atom.assembly_atom_id'
'_j_three_bond_constraint.assembly_atom_id_3' '_atom.assembly_atom_id'
'_j_three_bond_constraint.assembly_atom_id_4' '_atom.assembly_atom_id'
'_ca_cb_constraint.assembly_atom_id_1' '_atom.assembly_atom_id'
'_ca_cb_constraint.assembly_atom_id_2' '_atom.assembly_atom_id'
'_ca_cb_constraint.assembly_atom_id_3' '_atom.assembly_atom_id'
'_ca_cb_constraint.assembly_atom_id_4' '_atom.assembly_atom_id'
'_ca_cb_constraint.assembly_atom_id_5' '_atom.assembly_atom_id'
'_h_chem_shift_constraint.assembly_atom_id' '_atom.assembly_atom_id'
stop_
_item_type.code 'int'
save_
save__atom.entity_assembly_id
_item_description.description
;
Pointer to '_Entity_assembly.ID'
;
_item.name '_atom.entity_assembly_id'
_item.category_id 'atom'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__atom.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_atom.entity_id'
_item.category_id 'atom'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__atom.comp_index_id
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_atom.comp_index_id'
_item.category_id 'atom'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__atom.seq_id
_item_description.description
;
Pointer to '_Entity_poly_seq.Num'
;
_item.name '_atom.seq_id'
_item.category_id 'atom'
_item.mandatory_code no
_item_type.code 'int'
save_
save__atom.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_atom.comp_id'
_item.category_id 'atom'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__atom.atom_type_id
_item_description.description
;
Pointer to '_Atom_type.ID'
;
_item.name '_atom.atom_type_id'
_item.category_id 'atom'
_item.mandatory_code no
_item_type.code 'int'
save_
save__atom.atom_id
_item_description.description
;
The value of _Atom.Atom_ID must uniquely identify a record in the atom list.
;
_item.name '_atom.atom_id'
_item.category_id 'atom'
_item.mandatory_code yes
_item_type.code 'atcode'
save_
save__atom.type_symbol
_item_description.description
;
The code used to identify the atom specie(s) representing this atom type.
Normally this code is the element symbol. The code may be composed of any character
except an underline with the additional proviso that digits designate an
oxidation state and must be followed by a + or - character.
;
_item.name '_atom.type_symbol'
_item.category_id 'atom'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__atom.pdb_one_letter_code
_item_description.description
;
One-letter code used by the PDB for amino acids and nucleic acids.
;
_item.name '_atom.pdb_one_letter_code'
_item.category_id 'atom'
_item.mandatory_code no
_item_type.code 'code'
save_
save__atom.pdb_strand_id
_item_description.description
;
PDB strand/chain id.
;
_item.name '_atom.pdb_strand_id'
_item.category_id 'atom'
_item.mandatory_code no
_item_type.code 'code'
save_
save__atom.pdb_ins_code
_item_description.description
;
PDB insertion code.
;
_item.name '_atom.pdb_ins_code'
_item.category_id 'atom'
_item.mandatory_code no
_item_type.code 'code'
save_
save__atom.pdb_asym_id
_item_description.description
;
Pointer to _Atom_site.PDBX_label_asym_ID'.
;
_item.name '_atom.pdb_asym_id'
_item.category_id 'atom'
_item.mandatory_code no
_item_type.code 'code'
save_
save__atom.pdb_seq_id
_item_description.description
;
Pointer to '_Entity_poly_seq.Num'
;
_item.name '_atom.pdb_seq_id'
_item.category_id 'atom'
_item.mandatory_code no
_item_type.code 'int'
save_
save__atom.pdb_comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_atom.pdb_comp_id'
_item.category_id 'atom'
_item.mandatory_code no
_item_type.code 'code'
save_
save__atom.pdb_group
_item_description.description
;
The group of atoms to which the atom site belongs. This data item is provided
for compatibility with the original Protein Data Bank format, and only for
that purpose.
;
_item.name '_atom.pdb_group'
_item.category_id 'atom'
_item.mandatory_code no
_item_type.code 'code'
save_
save__atom.pdb_atom_id
_item_description.description
;
This data item is a pointer to '_Chem_comp_atom.Atom_ID in the chem_comp_atom
category.
;
_item.name '_atom.pdb_atom_id'
_item.category_id 'atom'
_item.mandatory_code no
_item_type.code 'code'
save_
save__atom.pdb_atom_type
_item_description.description
;
Standard symbol used to define the atom element type.
;
_item.name '_atom.pdb_atom_type'
_item.category_id 'atom'
_item.mandatory_code no
_item_type.code 'code'
save_
save__atom.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_atom.entry_id'
_item.category_id 'atom'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__atom.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_atom.assembly_id'
_item.category_id 'atom'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_assembly_bio_function
_category.description
;
Items in the assembly_bio_function category describe the biological functions carried out by a molecular assembly.
;
_category.id 'assembly_bio_function'
_category.mandatory_code yes
loop_
_category_key.name
'_assembly_bio_function.biological_function'
'_assembly_bio_function.entry_id'
'_assembly_bio_function.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
save_
save__assembly_bio_function.biological_function
_item_description.description
;
Very brief description of the biological function of the entity assembly.
;
_item.name '_assembly_bio_function.biological_function'
_item.category_id 'assembly_bio_function'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__assembly_bio_function.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_assembly_bio_function.entry_id'
_item.category_id 'assembly_bio_function'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__assembly_bio_function.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_assembly_bio_function.assembly_id'
_item.category_id 'assembly_bio_function'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_angle
_category.description
;
Items in the angle category define a unique identifier for each angle described by three linked atoms in the molecular assembly.
;
_category.id 'angle'
_category.mandatory_code yes
loop_
_category_key.name
'_angle.id'
'_angle.entry_id'
'_angle.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
save_
save__angle.id
_item_description.description
;
Unique identifier for the angle that is valid across the full molecular
assembly.
;
_item.name '_angle.id'
_item.category_id 'angle'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__angle.angle_name
_item_description.description
;
Name for the angle defined as a community recognized standard.
;
_item.name '_angle.angle_name'
_item.category_id 'angle'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__angle.assembly_atom_id_1
_item_description.description
;
Pointer to '_Atom.Assembly_atom_ID'
;
_item.name '_angle.assembly_atom_id_1'
_item.category_id 'angle'
_item.mandatory_code no
_item_type.code 'int'
save_
save__angle.entity_assembly_id_1
_item_description.description
;
Pointer to '_Entity_assembly.ID'
;
_item.name '_angle.entity_assembly_id_1'
_item.category_id 'angle'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__angle.entity_id_1
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_angle.entity_id_1'
_item.category_id 'angle'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__angle.entity_label_1
_item_description.description
;
Pointer to a saveframe of the category 'entity'
;
_item.name '_angle.entity_label_1'
_item.category_id 'angle'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__angle.comp_id_1
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_angle.comp_id_1'
_item.category_id 'angle'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__angle.comp_label_1
_item_description.description
;
Pointer to a saveframe of the category 'chem_comp'
;
_item.name '_angle.comp_label_1'
_item.category_id 'angle'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__angle.comp_index_id_1
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_angle.comp_index_id_1'
_item.category_id 'angle'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__angle.seq_id_1
_item_description.description
;
Pointer to '_Entity_poly_seq.Num'
;
_item.name '_angle.seq_id_1'
_item.category_id 'angle'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__angle.atom_id_1
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_angle.atom_id_1'
_item.category_id 'angle'
_item.mandatory_code yes
_item_type.code 'atcode'
save_
save__angle.atom_type_1
_item_description.description
;
Standard symbol used to define the atom element type.
;
_item.name '_angle.atom_type_1'
_item.category_id 'angle'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__angle.assembly_atom_id_2
_item_description.description
;
Pointer to '_Atom.Assembly_atom_ID'
;
_item.name '_angle.assembly_atom_id_2'
_item.category_id 'angle'
_item.mandatory_code no
_item_type.code 'int'
save_
save__angle.entity_assembly_id_2
_item_description.description
;
Pointer to '_Entity_assembly.ID'
;
_item.name '_angle.entity_assembly_id_2'
_item.category_id 'angle'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__angle.entity_id_2
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_angle.entity_id_2'
_item.category_id 'angle'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__angle.entity_label_2
_item_description.description
;
Pointer to a saveframe of the category 'entity'
;
_item.name '_angle.entity_label_2'
_item.category_id 'angle'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__angle.comp_id_2
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_angle.comp_id_2'
_item.category_id 'angle'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__angle.comp_label_2
_item_description.description
;
Pointer to a saveframe of the category 'chem_comp'
;
_item.name '_angle.comp_label_2'
_item.category_id 'angle'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__angle.comp_index_id_2
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_angle.comp_index_id_2'
_item.category_id 'angle'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__angle.seq_id_2
_item_description.description
;
Pointer to '_Entity_poly_seq.Num'
;
_item.name '_angle.seq_id_2'
_item.category_id 'angle'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__angle.atom_id_2
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_angle.atom_id_2'
_item.category_id 'angle'
_item.mandatory_code yes
_item_type.code 'atcode'
save_
save__angle.atom_type_2
_item_description.description
;
Standard symbol used to define the atom element type.
;
_item.name '_angle.atom_type_2'
_item.category_id 'angle'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__angle.assembly_atom_id_3
_item_description.description
;
Pointer to '_Atom.Assembly_atom_ID'
;
_item.name '_angle.assembly_atom_id_3'
_item.category_id 'angle'
_item.mandatory_code no
_item_type.code 'int'
save_
save__angle.entity_assembly_id_3
_item_description.description
;
Pointer to '_Entity_assembly.ID'
;
_item.name '_angle.entity_assembly_id_3'
_item.category_id 'angle'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__angle.entity_id_3
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_angle.entity_id_3'
_item.category_id 'angle'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__angle.entity_label_3
_item_description.description
;
Pointer to a saveframe of the category 'entity'
;
_item.name '_angle.entity_label_3'
_item.category_id 'angle'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__angle.comp_id_3
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_angle.comp_id_3'
_item.category_id 'angle'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__angle.comp_label_3
_item_description.description
;
Pointer to a saveframe of the category 'chem_comp'
;
_item.name '_angle.comp_label_3'
_item.category_id 'angle'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__angle.comp_index_id_3
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_angle.comp_index_id_3'
_item.category_id 'angle'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__angle.seq_id_3
_item_description.description
;
Pointer to '_Entity_poly_seq.Num'
;
_item.name '_angle.seq_id_3'
_item.category_id 'angle'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__angle.atom_id_3
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_angle.atom_id_3'
_item.category_id 'angle'
_item.mandatory_code yes
_item_type.code 'atcode'
save_
save__angle.atom_type_3
_item_description.description
;
Standard symbol used to define the atom element type.
;
_item.name '_angle.atom_type_3'
_item.category_id 'angle'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__angle.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_angle.entry_id'
_item.category_id 'angle'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__angle.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_angle.assembly_id'
_item.category_id 'angle'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_torsion_angle
_category.description
;
Items in the torsion_angle category define a unique identifier for each torsion angle in the molecular assembly.
;
_category.id 'torsion_angle'
_category.mandatory_code yes
loop_
_category_key.name
'_torsion_angle.id'
'_torsion_angle.entry_id'
'_torsion_angle.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
save_
save__torsion_angle.id
_item_description.description
;
Unique identifier for the torsion angle that is valid across the full molecular
assembly.
;
_item.name '_torsion_angle.id'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__torsion_angle.torsion_angle_name
_item_description.description
;
Name for the torsion angle commonly used in the scientific literature or
defined by a recognized organization for standard scientific nomenclature.
;
_item.name '_torsion_angle.torsion_angle_name'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__torsion_angle.assembly_atom_id_1
_item_description.description
;
Pointer to '_Atom.Assembly_atom_ID'
;
_item.name '_torsion_angle.assembly_atom_id_1'
_item.category_id 'torsion_angle'
_item.mandatory_code no
_item_type.code 'int'
save_
save__torsion_angle.entity_assembly_id_1
_item_description.description
;
Pointer to '_Entity_assembly.ID'
;
_item.name '_torsion_angle.entity_assembly_id_1'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__torsion_angle.entity_id_1
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_torsion_angle.entity_id_1'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__torsion_angle.entity_label_1
_item_description.description
;
Pointer to a saveframe of the category 'entity'
;
_item.name '_torsion_angle.entity_label_1'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__torsion_angle.comp_id_1
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_torsion_angle.comp_id_1'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__torsion_angle.comp_label_1
_item_description.description
;
Pointer to a saveframe of the category 'chem_comp'
;
_item.name '_torsion_angle.comp_label_1'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__torsion_angle.comp_index_id_1
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_torsion_angle.comp_index_id_1'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__torsion_angle.seq_id_1
_item_description.description
;
Pointer to '_Entity_poly_seq.Num'
;
_item.name '_torsion_angle.seq_id_1'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__torsion_angle.atom_id_1
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_torsion_angle.atom_id_1'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'atcode'
save_
save__torsion_angle.atom_type_1
_item_description.description
;
Standard symbol used to define the atom element type.
;
_item.name '_torsion_angle.atom_type_1'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__torsion_angle.assembly_atom_id_2
_item_description.description
;
Pointer to '_Atom.Assembly_atom_ID'
;
_item.name '_torsion_angle.assembly_atom_id_2'
_item.category_id 'torsion_angle'
_item.mandatory_code no
_item_type.code 'int'
save_
save__torsion_angle.entity_assembly_id_2
_item_description.description
;
Pointer to '_Entity_assembly.ID'
;
_item.name '_torsion_angle.entity_assembly_id_2'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__torsion_angle.entity_id_2
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_torsion_angle.entity_id_2'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__torsion_angle.entity_label_2
_item_description.description
;
Pointer to a saveframe of the category 'entity'
;
_item.name '_torsion_angle.entity_label_2'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__torsion_angle.comp_id_2
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_torsion_angle.comp_id_2'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__torsion_angle.comp_label_2
_item_description.description
;
Pointer to a saveframe of the category 'chem_comp'
;
_item.name '_torsion_angle.comp_label_2'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__torsion_angle.comp_index_id_2
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_torsion_angle.comp_index_id_2'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__torsion_angle.seq_id_2
_item_description.description
;
Pointer to '_Entity_poly_seq.Num'
;
_item.name '_torsion_angle.seq_id_2'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__torsion_angle.atom_id_2
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_torsion_angle.atom_id_2'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'atcode'
save_
save__torsion_angle.atom_type_2
_item_description.description
;
Standard symbol used to define the atom element type.
;
_item.name '_torsion_angle.atom_type_2'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__torsion_angle.assembly_atom_id_3
_item_description.description
;
Pointer to '_Atom.Assembly_atom_ID'
;
_item.name '_torsion_angle.assembly_atom_id_3'
_item.category_id 'torsion_angle'
_item.mandatory_code no
_item_type.code 'int'
save_
save__torsion_angle.entity_assembly_id_3
_item_description.description
;
Pointer to '_Entity_assembly.ID'
;
_item.name '_torsion_angle.entity_assembly_id_3'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__torsion_angle.entity_id_3
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_torsion_angle.entity_id_3'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__torsion_angle.entity_label_3
_item_description.description
;
Pointer to a saveframe of the category 'entity'
;
_item.name '_torsion_angle.entity_label_3'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__torsion_angle.comp_id_3
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_torsion_angle.comp_id_3'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__torsion_angle.comp_label_3
_item_description.description
;
Pointer to a saveframe of the category 'chem_comp'
;
_item.name '_torsion_angle.comp_label_3'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__torsion_angle.comp_index_id_3
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_torsion_angle.comp_index_id_3'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__torsion_angle.seq_id_3
_item_description.description
;
Pointer to '_Entity_poly_seq.Num'
;
_item.name '_torsion_angle.seq_id_3'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__torsion_angle.atom_id_3
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_torsion_angle.atom_id_3'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'atcode'
save_
save__torsion_angle.atom_type_3
_item_description.description
;
Standard symbol used to define the atom element type.
;
_item.name '_torsion_angle.atom_type_3'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__torsion_angle.assembly_atom_id_4
_item_description.description
;
Pointer to '_Atom.Assembly_atom_ID'
;
_item.name '_torsion_angle.assembly_atom_id_4'
_item.category_id 'torsion_angle'
_item.mandatory_code no
_item_type.code 'int'
save_
save__torsion_angle.entity_assembly_id_4
_item_description.description
;
Pointer to '_Entity_assembly.ID'
;
_item.name '_torsion_angle.entity_assembly_id_4'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__torsion_angle.entity_id_4
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_torsion_angle.entity_id_4'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__torsion_angle.entity_label_4
_item_description.description
;
Pointer to a saveframe of the category 'entity'
;
_item.name '_torsion_angle.entity_label_4'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__torsion_angle.comp_id_4
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_torsion_angle.comp_id_4'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__torsion_angle.comp_label_4
_item_description.description
;
Pointer to a saveframe of the category 'chem_comp'
;
_item.name '_torsion_angle.comp_label_4'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__torsion_angle.comp_index_id_4
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_torsion_angle.comp_index_id_4'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__torsion_angle.seq_id_4
_item_description.description
;
Pointer to '_Entity_poly_seq.Num'
;
_item.name '_torsion_angle.seq_id_4'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__torsion_angle.atom_id_4
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_torsion_angle.atom_id_4'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'atcode'
save_
save__torsion_angle.atom_type_4
_item_description.description
;
Standard symbol used to define the atom element type.
;
_item.name '_torsion_angle.atom_type_4'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__torsion_angle.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_torsion_angle.entry_id'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__torsion_angle.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_torsion_angle.assembly_id'
_item.category_id 'torsion_angle'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_assembly_segment
_category.description
;
Items in the assembly_segment category define at levels from atom to chemical component subsets of the assembly. The subsets may be but are not limited to contiguous atoms or components of the assembly. As an example, the active site of a molecular assembly could be defined as a segment.
;
_category.id 'assembly_segment'
_category.mandatory_code yes
loop_
_category_key.name
'_assembly_segment.id'
'_assembly_segment.entry_id'
'_assembly_segment.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
save_
save__assembly_segment.id
_item_description.description
;
Integer value that uniquely defines the segment of the molecular assembly
described. This tag is not the primary key for this table.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_assembly_segment.id' 'assembly_segment' yes
'_assembly_segment_description.assembly_segment_id' 'assembly_segment_description' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_assembly_segment_description.assembly_segment_id' '_assembly_segment.id'
stop_
_item_type.code 'int'
save_
save__assembly_segment.entity_assembly_id
_item_description.description
;
Pointer to '_Entity_assembly.ID'
;
_item.name '_assembly_segment.entity_assembly_id'
_item.category_id 'assembly_segment'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__assembly_segment.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_assembly_segment.entity_id'
_item.category_id 'assembly_segment'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__assembly_segment.entity_label
_item_description.description
;
Pointer to a saveframe of the category 'entity'
;
_item.name '_assembly_segment.entity_label'
_item.category_id 'assembly_segment'
_item.mandatory_code no
_item_type.code 'framecode'
save_
save__assembly_segment.comp_index_id
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_assembly_segment.comp_index_id'
_item.category_id 'assembly_segment'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__assembly_segment.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_assembly_segment.comp_id'
_item.category_id 'assembly_segment'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__assembly_segment.comp_label
_item_description.description
;
Pointer to a saveframe of the category 'chem_comp'
;
_item.name '_assembly_segment.comp_label'
_item.category_id 'assembly_segment'
_item.mandatory_code no
_item_type.code 'framecode'
save_
save__assembly_segment.seq_id
_item_description.description
;
Pointer to '_Entity_poly_seq.Num'
;
_item.name '_assembly_segment.seq_id'
_item.category_id 'assembly_segment'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__assembly_segment.atom_id
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_assembly_segment.atom_id'
_item.category_id 'assembly_segment'
_item.mandatory_code yes
_item_type.code 'atcode'
save_
save__assembly_segment.assembly_atom_id
_item_description.description
;
Pointer to '_Atom.Assembly_atom_ID'
;
_item.name '_assembly_segment.assembly_atom_id'
_item.category_id 'assembly_segment'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__assembly_segment.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_assembly_segment.entry_id'
_item.category_id 'assembly_segment'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__assembly_segment.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_assembly_segment.assembly_id'
_item.category_id 'assembly_segment'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_assembly_segment_description
_category.description
;
Items in the assembly_segment_description category provide a description of an assembly segment.
;
_category.id 'assembly_segment_description'
_category.mandatory_code yes
loop_
_category_key.name
'_assembly_segment_description.assembly_segment_id'
'_assembly_segment_description.entry_id'
'_assembly_segment_description.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
save_
save__assembly_segment_description.assembly_segment_id
_item_description.description
;
Pointer to '_Assembly_segment.ID'
;
_item.name '_assembly_segment_description.assembly_segment_id'
_item.category_id 'assembly_segment_description'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__assembly_segment_description.code
_item_description.description
;
Code that defines the type of assembly segment.
;
_item.name '_assembly_segment_description.code'
_item.category_id 'assembly_segment_description'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__assembly_segment_description.details
_item_description.description
;
Text providing additional information about the assembly segment.
;
_item.name '_assembly_segment_description.details'
_item.category_id 'assembly_segment_description'
_item.mandatory_code no
_item_type.code 'text'
save_
save__assembly_segment_description.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_assembly_segment_description.entry_id'
_item.category_id 'assembly_segment_description'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__assembly_segment_description.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_assembly_segment_description.assembly_id'
_item.category_id 'assembly_segment_description'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_assembly_keyword
_category.description
;
Items in the assembly_keyword category provide keywords describing the molecular system.
;
_category.id 'assembly_keyword'
_category.mandatory_code yes
loop_
_category_key.name
'_assembly_keyword.keyword'
'_assembly_keyword.entry_id'
'_assembly_keyword.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
save_
save__assembly_keyword.keyword
_item_description.description
;
A word or very brief phrase that provide a concise description of the entity
assembly.
;
_item.name '_assembly_keyword.keyword'
_item.category_id 'assembly_keyword'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__assembly_keyword.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_assembly_keyword.entry_id'
_item.category_id 'assembly_keyword'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__assembly_keyword.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_assembly_keyword.assembly_id'
_item.category_id 'assembly_keyword'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_assembly_citation
_category.description
;
Items in the assembly_citation category provide a pointer to a citation where the molecular assembly is described.
;
_category.id 'assembly_citation'
_category.mandatory_code yes
loop_
_category_key.name
'_assembly_citation.citation_id'
'_assembly_citation.entry_id'
'_assembly_citation.assembly_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly'
stop_
save_
save__assembly_citation.citation_id
_item_description.description
;
Pointer to '_Citation.ID'
;
_item.name '_assembly_citation.citation_id'
_item.category_id 'assembly_citation'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__assembly_citation.citation_label
_item_description.description
;
Pointer to a saveframe of the category citation.
;
_item.name '_assembly_citation.citation_label'
_item.category_id 'assembly_citation'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__assembly_citation.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_assembly_citation.entry_id'
_item.category_id 'assembly_citation'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__assembly_citation.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_assembly_citation.assembly_id'
_item.category_id 'assembly_citation'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_assembly_annotation_list
_category.description
;
Items in the assembly_annotation list category provide details about the author provided annoations describing the molecular assembly studied.
;
_category.id 'assembly_annotation_list'
loop_
_category_key.name
'_assembly_annotation_list.entry_id'
'_assembly_annotation_list.id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly_annotation'
stop_
save_
save__assembly_annotation_list.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_assembly_annotation_list.sf_category'
_item.category_id 'assembly_annotation_list'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__assembly_annotation_list.sf_framecode
_item_description.description
;
The framecode for the save frame where author defined annotations for the
molecular assembly studied are provided.
;
_item.name '_assembly_annotation_list.sf_framecode'
_item.category_id 'assembly_annotation_list'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__assembly_annotation_list.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_assembly_annotation_list.entry_id'
_item.category_id 'assembly_annotation_list'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__assembly_annotation_list.id
_item_description.description
;
An integer value that uniquely defines the assembly annotation saveframe
from other assembly annotation saveframes in the entry.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_assembly_annotation_list.id' 'assembly_annotation_list' yes
'_author_annotation.assembly_annotation_list_id' 'author_annotation' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_author_annotation.assembly_annotation_list_id' '_assembly_annotation_list.id'
stop_
_item_type.code 'int'
save_
save__assembly_annotation_list.source
_item_description.description
;
Code defining the source of the annotation provided.
;
_item.name '_assembly_annotation_list.source'
_item.category_id 'assembly_annotation_list'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__assembly_annotation_list.details
_item_description.description
;
Text providing additional information regarding the annotation provided
for the assembly and/or its subsystems.
;
_item.name '_assembly_annotation_list.details'
_item.category_id 'assembly_annotation_list'
_item.mandatory_code no
_item_type.code 'text'
save_
save_author_annotation
_category.description
;
Items in the assembly_annotation category define the author supplied annotations that describe the molecular assembly studied.
;
_category.id 'author_annotation'
loop_
_category_key.name
'_author_annotation.id'
'_author_annotation.entry_id'
'_author_annotation.assembly_annotation_list_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly_annotation'
stop_
save_
save__author_annotation.id
_item_description.description
;
An integer value that uniquely identifies the author provided annotation.
;
_item.name '_author_annotation.id'
_item.category_id 'author_annotation'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__author_annotation.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_author_annotation.assembly_id'
_item.category_id 'author_annotation'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__author_annotation.assembly_subsystem_id
_item_description.description
;
Pointer to '_Assembly_subsystem.ID'
;
_item.name '_author_annotation.assembly_subsystem_id'
_item.category_id 'author_annotation'
_item.mandatory_code no
_item_type.code 'int'
save_
save__author_annotation.entity_assembly_id
_item_description.description
;
Pointer to '_Entity_assembly.ID'
;
_item.name '_author_annotation.entity_assembly_id'
_item.category_id 'author_annotation'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__author_annotation.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_author_annotation.entity_id'
_item.category_id 'author_annotation'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__author_annotation.comp_index_id
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_author_annotation.comp_index_id'
_item.category_id 'author_annotation'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__author_annotation.comp_index_id_start
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_author_annotation.comp_index_id_start'
_item.category_id 'author_annotation'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__author_annotation.comp_index_id_end
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_author_annotation.comp_index_id_end'
_item.category_id 'author_annotation'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__author_annotation.seq_id
_item_description.description
;
Pointer to '_Entity_poly_seq.Num'
;
_item.name '_author_annotation.seq_id'
_item.category_id 'author_annotation'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__author_annotation.seq_id_start
_item_description.description
;
Pointer to '_Entity_poly_seq.Num'
;
_item.name '_author_annotation.seq_id_start'
_item.category_id 'author_annotation'
_item.mandatory_code no
_item_type.code 'int'
save_
save__author_annotation.seq_id_end
_item_description.description
;
Pointer to '_Entity_poly_seq.Num'
;
_item.name '_author_annotation.seq_id_end'
_item.category_id 'author_annotation'
_item.mandatory_code no
_item_type.code 'int'
save_
save__author_annotation.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_author_annotation.comp_id'
_item.category_id 'author_annotation'
_item.mandatory_code no
_item_type.code 'code'
save_
save__author_annotation.atom_id
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_author_annotation.atom_id'
_item.category_id 'author_annotation'
_item.mandatory_code no
_item_type.code 'atcode'
save_
save__author_annotation.assembly_atom_id
_item_description.description
;
Pointer to '_Atom.Assembly_atom_ID'
;
_item.name '_author_annotation.assembly_atom_id'
_item.category_id 'author_annotation'
_item.mandatory_code no
_item_type.code 'int'
save_
save__author_annotation.annotation_code
_item_description.description
;
A code that describes the kind of annotation provided.
;
_item.name '_author_annotation.annotation_code'
_item.category_id 'author_annotation'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__author_annotation.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_author_annotation.entry_id'
_item.category_id 'author_annotation'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__author_annotation.assembly_annotation_list_id
_item_description.description
;
Pointer to '_Assembly_annotation_list.ID'
;
_item.name '_author_annotation.assembly_annotation_list_id'
_item.category_id 'author_annotation'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_assembly_subsystem
_category.description
;
Items in the assembly_subsystem category describe the molecule(s) in an assembly that together make up a subset that has structural or functional significance.
;
_category.id 'assembly_subsystem'
loop_
_category_key.name
'_assembly_subsystem.entry_id'
'_assembly_subsystem.id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly_subsystems'
stop_
save_
save__assembly_subsystem.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_assembly_subsystem.sf_category'
_item.category_id 'assembly_subsystem'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__assembly_subsystem.sf_framecode
_item_description.description
;
A descriptive label that uniquely identifies this molecular subsystem from
all other subsystems of the molecular assembly studied.
;
_item.name '_assembly_subsystem.sf_framecode'
_item.category_id 'assembly_subsystem'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__assembly_subsystem.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_assembly_subsystem.entry_id'
_item.category_id 'assembly_subsystem'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__assembly_subsystem.id
_item_description.description
;
An integer value that uniquely defines the subsystem of the molecular assembly
described. An assembly subsystem contains a subset of the components of
the full molecular assembly, but does not consist of fragments of the molecular
assembly components.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_assembly_subsystem.id' 'assembly_subsystem' yes
'_author_annotation.assembly_subsystem_id' 'author_annotation' yes
'_subsystem_common_name.assembly_subsystem_id' 'subsystem_common_name' yes
'_subsystem_type.assembly_subsystem_id' 'subsystem_type' yes
'_subsystem_component.assembly_subsystem_id' 'subsystem_component' yes
'_subsystem_keyword.assembly_subsystem_id' 'subsystem_keyword' yes
'_subsystem_biological_function.assembly_subsystem_id' 'subsystem_biological_function' yes
'_subsystem_db_link.assembly_subsystem_id' 'subsystem_db_link' yes
'_subsystem_citation.assembly_subsystem_id' 'subsystem_citation' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_author_annotation.assembly_subsystem_id' '_assembly_subsystem.id'
'_subsystem_common_name.assembly_subsystem_id' '_assembly_subsystem.id'
'_subsystem_type.assembly_subsystem_id' '_assembly_subsystem.id'
'_subsystem_component.assembly_subsystem_id' '_assembly_subsystem.id'
'_subsystem_keyword.assembly_subsystem_id' '_assembly_subsystem.id'
'_subsystem_biological_function.assembly_subsystem_id' '_assembly_subsystem.id'
'_subsystem_db_link.assembly_subsystem_id' '_assembly_subsystem.id'
'_subsystem_citation.assembly_subsystem_id' '_assembly_subsystem.id'
stop_
_item_type.code 'int'
save_
save__assembly_subsystem.name
_item_description.description
;
Author supplied name for the assembly subsystem.
;
_item.name '_assembly_subsystem.name'
_item.category_id 'assembly_subsystem'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__assembly_subsystem.cas_name
_item_description.description
;
Chemical Abstract Services name that applies to the assembly subsystem.
;
_item.name '_assembly_subsystem.cas_name'
_item.category_id 'assembly_subsystem'
_item.mandatory_code no
_item_type.code 'line'
save_
save__assembly_subsystem.cas_registry_number
_item_description.description
;
Chemical Abstract Services registry number that applies to the assembly
subsystem.
;
_item.name '_assembly_subsystem.cas_registry_number'
_item.category_id 'assembly_subsystem'
_item.mandatory_code no
_item_type.code 'line'
save_
save__assembly_subsystem.enzyme_commission_number
_item_description.description
;
Identification number defined by the Enzyme Commission for the protein
molecular system, or biological molecular system described in the saveframe.
;
_item.name '_assembly_subsystem.enzyme_commission_number'
_item.category_id 'assembly_subsystem'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
3.1.3.5.3
;
stop_
save_
save__assembly_subsystem.molecular_mass
_item_description.description
;
The approximate mass of the system as defined by the authors and is intended
to approximate the sum of the masses of all of the atoms in the system. No
attempt is made to define the mass at a specific pH value, in terms of the protonation
state of any pH titratable groups, or according to the incorporation
of isotopes.
;
_item.name '_assembly_subsystem.molecular_mass'
_item.category_id 'assembly_subsystem'
_item.mandatory_code no
_item_type.code 'float'
loop_
_item_examples.case
;
24000
;
stop_
save_
save__assembly_subsystem.details
_item_description.description
;
Additional information relevant to the data in the current saveframe or
to a specific data item is entered as a value to this tag. The information entered
must supplement information already present. Whenever possible data should
associated with specific data tags and not included in the value to a '_Details' tag.
;
_item.name '_assembly_subsystem.details'
_item.category_id 'assembly_subsystem'
_item.mandatory_code no
_item_type.code 'text'
save_
save__assembly_subsystem.db_query_date
_item_description.description
;
Date that the last query has been conducted to locate entries in external
databases that are related to the assembly subsystem.
;
_item.name '_assembly_subsystem.db_query_date'
_item.category_id 'assembly_subsystem'
_item.mandatory_code no
_item_type.code 'yyyy-mm-dd'
save_
save__assembly_subsystem.db_last_query_revised_last_date
_item_description.description
;
Date that this table was updated with links to external databases.
;
_item.name '_assembly_subsystem.db_last_query_revised_last_date'
_item.category_id 'assembly_subsystem'
_item.mandatory_code no
_item_type.code 'yyyy-mm-dd'
save_
save_subsystem_common_name
_category.description
;
Items in the subsystem_common_name category define the name(s) provided by the author or found in the literature for a defined subsystem of a molecular assembly.
;
_category.id 'subsystem_common_name'
loop_
_category_key.name
'_subsystem_common_name.name'
'_subsystem_common_name.entry_id'
'_subsystem_common_name.assembly_subsystem_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly_subsystems'
stop_
save_
save__subsystem_common_name.name
_item_description.description
;
A name commonly used in the literature to refer to this assembly subsystem.
;
_item.name '_subsystem_common_name.name'
_item.category_id 'subsystem_common_name'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__subsystem_common_name.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_subsystem_common_name.entry_id'
_item.category_id 'subsystem_common_name'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__subsystem_common_name.assembly_subsystem_id
_item_description.description
;
Pointer to '_Assembly_subsystem.ID'
;
_item.name '_subsystem_common_name.assembly_subsystem_id'
_item.category_id 'subsystem_common_name'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_subsystem_type
_category.description
;
Items in the subsystem_type category define the type(s) of the subsystem.
;
_category.id 'subsystem_type'
loop_
_category_key.name
'_subsystem_type.type'
'_subsystem_type.entry_id'
'_subsystem_type.assembly_subsystem_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly_subsystems'
stop_
save_
save__subsystem_type.type
_item_description.description
;
A code that defines the general type or kind of assembly subsystem.
;
_item.name '_subsystem_type.type'
_item.category_id 'subsystem_type'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__subsystem_type.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_subsystem_type.entry_id'
_item.category_id 'subsystem_type'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__subsystem_type.assembly_subsystem_id
_item_description.description
;
Pointer to '_Assembly_subsystem.ID'
;
_item.name '_subsystem_type.assembly_subsystem_id'
_item.category_id 'subsystem_type'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_subsystem_component
_category.description
;
Items in the subsystem_component define the elements of the full molecular assembly that are members of the subsystem.
;
_category.id 'subsystem_component'
loop_
_category_key.name
'_subsystem_component.entity_assembly_id'
'_subsystem_component.entry_id'
'_subsystem_component.assembly_subsystem_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly_subsystems'
stop_
save_
save__subsystem_component.entity_assembly_id
_item_description.description
;
Pointer to '_Entity_assembly.ID'
;
_item.name '_subsystem_component.entity_assembly_id'
_item.category_id 'subsystem_component'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__subsystem_component.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_subsystem_component.entity_id'
_item.category_id 'subsystem_component'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__subsystem_component.entity_label
_item_description.description
;
Pointer to a saveframe of the category entity.
;
_item.name '_subsystem_component.entity_label'
_item.category_id 'subsystem_component'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__subsystem_component.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_subsystem_component.entry_id'
_item.category_id 'subsystem_component'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__subsystem_component.assembly_subsystem_id
_item_description.description
;
Pointer to '_Assembly_subsystem.ID'
;
_item.name '_subsystem_component.assembly_subsystem_id'
_item.category_id 'subsystem_component'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_subsystem_keyword
_category.description
;
Items in the subsystem_keyword category define keywords that describe a subsystem of the molecular assembly.
;
_category.id 'subsystem_keyword'
loop_
_category_key.name
'_subsystem_keyword.keyword'
'_subsystem_keyword.entry_id'
'_subsystem_keyword.assembly_subsystem_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly_subsystems'
stop_
save_
save__subsystem_keyword.keyword
_item_description.description
;
A keyword that describes the assembly subsystem.
;
_item.name '_subsystem_keyword.keyword'
_item.category_id 'subsystem_keyword'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__subsystem_keyword.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_subsystem_keyword.entry_id'
_item.category_id 'subsystem_keyword'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__subsystem_keyword.assembly_subsystem_id
_item_description.description
;
Pointer to '_Assembly_subsystem.ID'
;
_item.name '_subsystem_keyword.assembly_subsystem_id'
_item.category_id 'subsystem_keyword'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_subsystem_biological_function
_category.description
;
Items in the subsystem_biological_function category define the biological functions that the subsystem of the molecular assembly carry out.
;
_category.id 'subsystem_biological_function'
loop_
_category_key.name
'_subsystem_biological_function.biological_function'
'_subsystem_biological_function.entry_id'
'_subsystem_biological_function.assembly_subsystem_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly_subsystems'
stop_
save_
save__subsystem_biological_function.biological_function
_item_description.description
;
A word or very brief phrase that defines a biological function that the
assembly subsystem carries out.
;
_item.name '_subsystem_biological_function.biological_function'
_item.category_id 'subsystem_biological_function'
_item.mandatory_code yes
_item_type.code 'text'
save_
save__subsystem_biological_function.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_subsystem_biological_function.entry_id'
_item.category_id 'subsystem_biological_function'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__subsystem_biological_function.assembly_subsystem_id
_item_description.description
;
Pointer to '_Assembly_subsystem.ID'
;
_item.name '_subsystem_biological_function.assembly_subsystem_id'
_item.category_id 'subsystem_biological_function'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_subsystem_db_link
_category.description
;
Items in the subsystem_db_link category define databases and the entries in the databases that are related to the subsystem of the molecular assembly.
;
_category.id 'subsystem_db_link'
loop_
_category_key.name
'_subsystem_db_link.database_code'
'_subsystem_db_link.accession_code'
'_subsystem_db_link.entry_id'
'_subsystem_db_link.assembly_subsystem_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly_subsystems'
stop_
save_
save__subsystem_db_link.author_supplied
_item_description.description
;
Boolean code that defines if the link to a database was provided by the
author (yes) or from another source (no).
;
_item.name '_subsystem_db_link.author_supplied'
_item.category_id 'subsystem_db_link'
_item.mandatory_code no
_item_type.code 'yes_no'
loop_
_item_enumeration.value
_item_enumeration.detail
yes ?
no ?
stop_
save_
save__subsystem_db_link.database_code
_item_description.description
;
Abbreviation for the database
;
_item.name '_subsystem_db_link.database_code'
_item.category_id 'subsystem_db_link'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__subsystem_db_link.accession_code
_item_description.description
;
Accession code for the entry in the database.
;
_item.name '_subsystem_db_link.accession_code'
_item.category_id 'subsystem_db_link'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__subsystem_db_link.entry_mol_code
_item_description.description
;
Code assigned by the database to the molecule in the database entry.
;
_item.name '_subsystem_db_link.entry_mol_code'
_item.category_id 'subsystem_db_link'
_item.mandatory_code no
_item_type.code 'line'
save_
save__subsystem_db_link.entry_mol_name
_item_description.description
;
Name of the molecular assembly in the database entry.
;
_item.name '_subsystem_db_link.entry_mol_name'
_item.category_id 'subsystem_db_link'
_item.mandatory_code no
_item_type.code 'line'
save_
save__subsystem_db_link.entry_experimental_method
_item_description.description
;
Experimental method used to generate the data in the database entry.
;
_item.name '_subsystem_db_link.entry_experimental_method'
_item.category_id 'subsystem_db_link'
_item.mandatory_code no
_item_type.code 'line'
save_
save__subsystem_db_link.entry_relation_type
_item_description.description
;
Relationship between the database entry and this BMRB entry.
;
_item.name '_subsystem_db_link.entry_relation_type'
_item.category_id 'subsystem_db_link'
_item.mandatory_code no
_item_type.code 'line'
save_
save__subsystem_db_link.entry_details
_item_description.description
;
Any text information relevant to the database entry.
;
_item.name '_subsystem_db_link.entry_details'
_item.category_id 'subsystem_db_link'
_item.mandatory_code no
_item_type.code 'text'
save_
save__subsystem_db_link.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_subsystem_db_link.entry_id'
_item.category_id 'subsystem_db_link'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__subsystem_db_link.assembly_subsystem_id
_item_description.description
;
Pointer to '_Assembly_subsystem.ID'
;
_item.name '_subsystem_db_link.assembly_subsystem_id'
_item.category_id 'subsystem_db_link'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_subsystem_citation
_category.description
;
Items in the subsystem_citation category define the pointers to citations provided in the entry that describe the subsystem of the molecular assembly or other relevant information.
;
_category.id 'subsystem_citation'
loop_
_category_key.name
'_subsystem_citation.citation_id'
'_subsystem_citation.entry_id'
'_subsystem_citation.assembly_subsystem_id'
stop_
loop_
_category_group.id
'inclusive_group'
'assembly_subsystems'
stop_
save_
save__subsystem_citation.citation_id
_item_description.description
;
Pointer to '_Citation.ID'
;
_item.name '_subsystem_citation.citation_id'
_item.category_id 'subsystem_citation'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__subsystem_citation.citation_label
_item_description.description
;
Pointer to a saveframe of the category citation.
;
_item.name '_subsystem_citation.citation_label'
_item.category_id 'subsystem_citation'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__subsystem_citation.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_subsystem_citation.entry_id'
_item.category_id 'subsystem_citation'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__subsystem_citation.assembly_subsystem_id
_item_description.description
;
Pointer to '_Assembly_subsystem.ID'
;
_item.name '_subsystem_citation.assembly_subsystem_id'
_item.category_id 'subsystem_citation'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_entity
_category.description
;
Items in the entity category describe the characteristics of a molecular entity (protein, nucleic acid, polycarbohydrate, cofactor, ligand, inhibitor, etc.)
;
_category.id 'entity'
_category.mandatory_code yes
loop_
_category_key.name
'_entity.entry_id'
'_entity.id'
stop_
loop_
_category_group.id
'inclusive_group'
'entity'
stop_
save_
save__entity.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_entity.sf_category'
_item.category_id 'entity'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__entity.sf_framecode
_item_description.description
;
A descriptive label that uniquely identifies this entity from all other
chemically unique entities in the molecular assembly studied.
;
_item.name '_entity.sf_framecode'
_item.category_id 'entity'
_item.mandatory_code yes
_item_type.code 'framecode'
loop_
_item_examples.case
;
HIV protease polypeptide
;
stop_
save_
save__entity.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity.entry_id'
_item.category_id 'entity'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__entity.id
_item_description.description
;
An integer value that is the unique identifier for the entity within the entry.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_entity.id' 'entity' yes
'_entity_assembly.entity_id' 'entity_assembly' yes
'_bond.entity_id_1' 'bond' yes
'_bond.entity_id_2' 'bond' yes
'_entity_deleted_atom.entity_id' 'entity_deleted_atom' yes
'_struct_asym.entity_id' 'struct_asym' yes
'_chem_comp_assembly.entity_id' 'chem_comp_assembly' yes
'_pdbx_poly_seq_scheme.entity_id' 'pdbx_poly_seq_scheme' yes
'_pdbx_nonpoly_scheme.entity_id' 'pdbx_nonpoly_scheme' yes
'_atom.entity_id' 'atom' yes
'_angle.entity_id_1' 'angle' yes
'_angle.entity_id_2' 'angle' yes
'_angle.entity_id_3' 'angle' yes
'_torsion_angle.entity_id_1' 'torsion_angle' yes
'_torsion_angle.entity_id_2' 'torsion_angle' yes
'_torsion_angle.entity_id_3' 'torsion_angle' yes
'_torsion_angle.entity_id_4' 'torsion_angle' yes
'_assembly_segment.entity_id' 'assembly_segment' yes
'_author_annotation.entity_id' 'author_annotation' yes
'_subsystem_component.entity_id' 'subsystem_component' yes
'_entity.parent_entity_id' 'entity' yes
'_entity_db_link.entity_id' 'entity_db_link' yes
'_entity_biological_function.entity_id' 'entity_biological_function' yes
'_entity_common_name.entity_id' 'entity_common_name' yes
'_entity_systematic_name.entity_id' 'entity_systematic_name' yes
'_entity_keyword.entity_id' 'entity_keyword' yes
'_entity_comp_index.entity_id' 'entity_comp_index' yes
'_entity_poly_seq.entity_id' 'entity_poly_seq' yes
'_entity_chimera_segment.entity_id' 'entity_chimera_segment' yes
'_entity_comp_index_alt.entity_id' 'entity_comp_index_alt' yes
'_entity_atom_list.entity_id' 'entity_atom_list' yes
'_entity_chem_comp_deleted_atom.entity_id' 'entity_chem_comp_deleted_atom' yes
'_entity_bond.entity_id' 'entity_bond' yes
'_entity_citation.entity_id' 'entity_citation' yes
'_entity_natural_src.entity_id' 'entity_natural_src' yes
'_natural_source_db.entity_id' 'natural_source_db' yes
'_entity_experimental_src.entity_id' 'entity_experimental_src' yes
'_sample_component.entity_id' 'sample_component' yes
'_sample_component_atom_isotope.entity_id' 'sample_component_atom_isotope' yes
'_entity_purity.entity_id' 'entity_purity' yes
'_atom_chem_shift.entity_id' 'atom_chem_shift' yes
'_theoretical_chem_shift.entity_id' 'theoretical_chem_shift' yes
'_coupling_constant.entity_id_1' 'coupling_constant' yes
'_coupling_constant.entity_id_2' 'coupling_constant' yes
'_theoretical_coupling_constant.entity_id_1' 'theoretical_coupling_constant' yes
'_theoretical_coupling_constant.entity_id_2' 'theoretical_coupling_constant' yes
'_assigned_peak_chem_shift.entity_id' 'assigned_peak_chem_shift' yes
'_peak_row_format.entity_id_1' 'peak_row_format' yes
'_peak_row_format.entity_id_2' 'peak_row_format' yes
'_peak_row_format.entity_id_3' 'peak_row_format' yes
'_peak_row_format.entity_id_4' 'peak_row_format' yes
'_peak_row_format.entity_id_5' 'peak_row_format' yes
'_assigned_spectral_transition.entity_id' 'assigned_spectral_transition' yes
'_resonance_assignment.entity_id' 'resonance_assignment' yes
'_spin_system.entity_id' 'spin_system' yes
'_isotope_effect.entity_id' 'isotope_effect' yes
'_isotope_label_pattern.entity_id' 'isotope_label_pattern' yes
'_chem_shift_perturbation.entity_id' 'chem_shift_perturbation' yes
'_cs_anisotropy.entity_id' 'cs_anisotropy' yes
'_rdc.entity_id_1' 'rdc' yes
'_rdc.entity_id_2' 'rdc' yes
'_dipolar_coupling.entity_id_1' 'dipolar_coupling' yes
'_dipolar_coupling.entity_id_2' 'dipolar_coupling' yes
'_spectral_density.entity_id' 'spectral_density' yes
'_other_data.entity_id' 'other_data' yes
'_chemical_rate.entity_id' 'chemical_rate' yes
'_h_exch_rate.entity_id' 'h_exch_rate' yes
'_h_exch_protection_factor.entity_id' 'h_exch_protection_factor' yes
'_homonucl_noe.entity_id_1' 'homonucl_noe' yes
'_homonucl_noe.entity_id_2' 'homonucl_noe' yes
'_heteronucl_noe.entity_id_1' 'heteronucl_noe' yes
'_heteronucl_noe.entity_id_2' 'heteronucl_noe' yes
'_theoretical_heteronucl_noe.entity_id_1' 'theoretical_heteronucl_noe' yes
'_theoretical_heteronucl_noe.entity_id_2' 'theoretical_heteronucl_noe' yes
'_t1.entity_id' 't1' yes
'_theoretical_t1.entity_id' 'theoretical_t1' yes
'_t1rho.entity_id' 't1rho' yes
'_t2.entity_id' 't2' yes
'_theoretical_t2.entity_id' 'theoretical_t2' yes
'_auto_relaxation.entity_id' 'auto_relaxation' yes
'_theoretical_auto_relaxation.entity_id' 'theoretical_auto_relaxation' yes
'_dipole_dipole_relax.entity_id_1' 'dipole_dipole_relax' yes
'_dipole_dipole_relax.entity_id_2' 'dipole_dipole_relax' yes
'_cross_correlation_dd.dipole_1_entity_id_1' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_1_entity_id_2' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_2_entity_id_1' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_2_entity_id_2' 'cross_correlation_dd' yes
'_theoretical_cross_correlation_dd.dipole_1_entity_id_1' 'theoretical_cross_correlation_dd' yes
'_theoretical_cross_correlation_dd.dipole_1_entity_id_2' 'theoretical_cross_correlation_dd' yes
'_theoretical_cross_correlation_dd.dipole_2_entity_id_1' 'theoretical_cross_correlation_dd' yes
'_theoretical_cross_correlation_dd.dipole_2_entity_id_2' 'theoretical_cross_correlation_dd' yes
'_cross_correlation_d_csa.dipole_entity_id_1' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.dipole_entity_id_2' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.csa_entity_id_1' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.csa_entity_id_2' 'cross_correlation_d_csa' yes
'_order_param.entity_id' 'order_param' yes
'_ph_titr_result.atm_obs_entity_id' 'ph_titr_result' yes
'_ph_titr_result.atm_titr_entity_id' 'ph_titr_result' yes
'_d_h_fractionation_factor.entity_id' 'd_h_fractionation_factor' yes
'_binding_result.atm_obs_entity_id' 'binding_result' yes
'_binding_partners.entity_id' 'binding_partners' yes
'_deduced_secd_struct_exptl.entity_id' 'deduced_secd_struct_exptl' yes
'_deduced_secd_struct_feature.entity_id' 'deduced_secd_struct_feature' yes
'_deduced_h_bond.heavy_atom_entity_id_1' 'deduced_h_bond' yes
'_deduced_h_bond.heavy_atom_entity_id_2' 'deduced_h_bond' yes
'_deduced_h_bond.h_atom_entity_id' 'deduced_h_bond' yes
'_local_structure_quality.entity_id' 'local_structure_quality' yes
'_atom_site.label_entity_id' 'atom_site' yes
'_terminal_residue.entity_id' 'terminal_residue' yes
'_rep_conf.entity_id' 'rep_conf' yes
'_angular_order_param.entity_id' 'angular_order_param' yes
'_tertiary_struct.entity_id' 'tertiary_struct' yes
'_struct_anno_char.entity_id' 'struct_anno_char' yes
'_secondary_struct.entity_id' 'secondary_struct' yes
'_bond_annotation.entity_id_1' 'bond_annotation' yes
'_bond_annotation.entity_id_2' 'bond_annotation' yes
'_structure_interaction.entity_id_1' 'structure_interaction' yes
'_structure_interaction.entity_id_2' 'structure_interaction' yes
'_other_struct_feature.entity_id' 'other_struct_feature' yes
'_tensor.entity_id' 'tensor' yes
'_interatomic_dist.entity_id_1' 'interatomic_dist' yes
'_interatomic_dist.entity_id_2' 'interatomic_dist' yes
'_gen_dist_constraint.entity_id_1' 'gen_dist_constraint' yes
'_gen_dist_constraint.entity_id_2' 'gen_dist_constraint' yes
'_dist_constraint.entity_id' 'dist_constraint' yes
'_floating_chirality.entity_id_1' 'floating_chirality' yes
'_floating_chirality.entity_id_2' 'floating_chirality' yes
'_torsion_angle_constraint.entity_id_1' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.entity_id_2' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.entity_id_3' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.entity_id_4' 'torsion_angle_constraint' yes
'_rdc_constraint.entity_id_1' 'rdc_constraint' yes
'_rdc_constraint.entity_id_2' 'rdc_constraint' yes
'_j_three_bond_constraint.entity_id_1' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.entity_id_2' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.entity_id_3' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.entity_id_4' 'j_three_bond_constraint' yes
'_ca_cb_constraint.entity_id_1' 'ca_cb_constraint' yes
'_ca_cb_constraint.entity_id_2' 'ca_cb_constraint' yes
'_ca_cb_constraint.entity_id_3' 'ca_cb_constraint' yes
'_ca_cb_constraint.entity_id_4' 'ca_cb_constraint' yes
'_ca_cb_constraint.entity_id_5' 'ca_cb_constraint' yes
'_h_chem_shift_constraint.entity_id' 'h_chem_shift_constraint' yes
'_other_constraint_list.entity_id' 'other_constraint_list' yes
'_mz_precursor_ion_annotation.entity_id' 'mz_precursor_ion_annotation' yes
'_mz_product_ion_annotation.entity_id' 'mz_product_ion_annotation' yes
'_ms_chrom_ion_annotation.entity_id' 'ms_chrom_ion_annotation' yes
# BMRB/XML: LACS extension
'_lacs_char.entity_id' 'lacs_char' yes
# BMRB/XML: PB extension
'_pb_char.entity_id' 'pb_char' yes
# BMRB/XML: CS completeness
'_chem_shift_completeness_char.entity_id' 'chem_shift_completeness_char' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_entity_assembly.entity_id' '_entity.id'
'_bond.entity_id_1' '_entity.id'
'_bond.entity_id_2' '_entity.id'
'_entity_deleted_atom.entity_id' '_entity.id'
'_struct_asym.entity_id' '_entity.id'
'_chem_comp_assembly.entity_id' '_entity.id'
'_pdbx_poly_seq_scheme.entity_id' '_entity.id'
'_pdbx_nonpoly_scheme.entity_id' '_entity.id'
'_atom.entity_id' '_entity.id'
'_angle.entity_id_1' '_entity.id'
'_angle.entity_id_2' '_entity.id'
'_angle.entity_id_3' '_entity.id'
'_torsion_angle.entity_id_1' '_entity.id'
'_torsion_angle.entity_id_2' '_entity.id'
'_torsion_angle.entity_id_3' '_entity.id'
'_torsion_angle.entity_id_4' '_entity.id'
'_assembly_segment.entity_id' '_entity.id'
'_author_annotation.entity_id' '_entity.id'
'_subsystem_component.entity_id' '_entity.id'
'_entity.parent_entity_id' '_entity.id'
'_entity_db_link.entity_id' '_entity.id'
'_entity_biological_function.entity_id' '_entity.id'
'_entity_common_name.entity_id' '_entity.id'
'_entity_systematic_name.entity_id' '_entity.id'
'_entity_keyword.entity_id' '_entity.id'
'_entity_comp_index.entity_id' '_entity.id'
'_entity_poly_seq.entity_id' '_entity.id'
'_entity_chimera_segment.entity_id' '_entity.id'
'_entity_comp_index_alt.entity_id' '_entity.id'
'_entity_atom_list.entity_id' '_entity.id'
'_entity_chem_comp_deleted_atom.entity_id' '_entity.id'
'_entity_bond.entity_id' '_entity.id'
'_entity_citation.entity_id' '_entity.id'
'_entity_natural_src.entity_id' '_entity.id'
'_natural_source_db.entity_id' '_entity.id'
'_entity_experimental_src.entity_id' '_entity.id'
'_sample_component.entity_id' '_entity.id'
'_sample_component_atom_isotope.entity_id' '_entity.id'
'_entity_purity.entity_id' '_entity.id'
'_atom_chem_shift.entity_id' '_entity.id'
'_theoretical_chem_shift.entity_id' '_entity.id'
'_coupling_constant.entity_id_1' '_entity.id'
'_coupling_constant.entity_id_2' '_entity.id'
'_theoretical_coupling_constant.entity_id_1' '_entity.id'
'_theoretical_coupling_constant.entity_id_2' '_entity.id'
'_assigned_peak_chem_shift.entity_id' '_entity.id'
'_peak_row_format.entity_id_1' '_entity.id'
'_peak_row_format.entity_id_2' '_entity.id'
'_peak_row_format.entity_id_3' '_entity.id'
'_peak_row_format.entity_id_4' '_entity.id'
'_peak_row_format.entity_id_5' '_entity.id'
'_assigned_spectral_transition.entity_id' '_entity.id'
'_resonance_assignment.entity_id' '_entity.id'
'_spin_system.entity_id' '_entity.id'
'_isotope_effect.entity_id' '_entity.id'
'_isotope_label_pattern.entity_id' '_entity.id'
'_chem_shift_perturbation.entity_id' '_entity.id'
'_cs_anisotropy.entity_id' '_entity.id'
'_rdc.entity_id_1' '_entity.id'
'_rdc.entity_id_2' '_entity.id'
'_dipolar_coupling.entity_id_1' '_entity.id'
'_dipolar_coupling.entity_id_2' '_entity.id'
'_spectral_density.entity_id' '_entity.id'
'_other_data.entity_id' '_entity.id'
'_chemical_rate.entity_id' '_entity.id'
'_h_exch_rate.entity_id' '_entity.id'
'_h_exch_protection_factor.entity_id' '_entity.id'
'_homonucl_noe.entity_id_1' '_entity.id'
'_homonucl_noe.entity_id_2' '_entity.id'
'_heteronucl_noe.entity_id_1' '_entity.id'
'_heteronucl_noe.entity_id_2' '_entity.id'
'_theoretical_heteronucl_noe.entity_id_1' '_entity.id'
'_theoretical_heteronucl_noe.entity_id_2' '_entity.id'
'_t1.entity_id' '_entity.id'
'_theoretical_t1.entity_id' '_entity.id'
'_t1rho.entity_id' '_entity.id'
'_t2.entity_id' '_entity.id'
'_theoretical_t2.entity_id' '_entity.id'
'_auto_relaxation.entity_id' '_entity.id'
'_theoretical_auto_relaxation.entity_id' '_entity.id'
'_dipole_dipole_relax.entity_id_1' '_entity.id'
'_dipole_dipole_relax.entity_id_2' '_entity.id'
'_cross_correlation_dd.dipole_1_entity_id_1' '_entity.id'
'_cross_correlation_dd.dipole_1_entity_id_2' '_entity.id'
'_cross_correlation_dd.dipole_2_entity_id_1' '_entity.id'
'_cross_correlation_dd.dipole_2_entity_id_2' '_entity.id'
'_theoretical_cross_correlation_dd.dipole_1_entity_id_1' '_entity.id'
'_theoretical_cross_correlation_dd.dipole_1_entity_id_2' '_entity.id'
'_theoretical_cross_correlation_dd.dipole_2_entity_id_1' '_entity.id'
'_theoretical_cross_correlation_dd.dipole_2_entity_id_2' '_entity.id'
'_cross_correlation_d_csa.dipole_entity_id_1' '_entity.id'
'_cross_correlation_d_csa.dipole_entity_id_2' '_entity.id'
'_cross_correlation_d_csa.csa_entity_id_1' '_entity.id'
'_cross_correlation_d_csa.csa_entity_id_2' '_entity.id'
'_order_param.entity_id' '_entity.id'
'_ph_titr_result.atm_obs_entity_id' '_entity.id'
'_ph_titr_result.atm_titr_entity_id' '_entity.id'
'_d_h_fractionation_factor.entity_id' '_entity.id'
'_binding_result.atm_obs_entity_id' '_entity.id'
'_binding_partners.entity_id' '_entity.id'
'_deduced_secd_struct_exptl.entity_id' '_entity.id'
'_deduced_secd_struct_feature.entity_id' '_entity.id'
'_deduced_h_bond.heavy_atom_entity_id_1' '_entity.id'
'_deduced_h_bond.heavy_atom_entity_id_2' '_entity.id'
'_deduced_h_bond.h_atom_entity_id' '_entity.id'
'_local_structure_quality.entity_id' '_entity.id'
'_atom_site.label_entity_id' '_entity.id'
'_terminal_residue.entity_id' '_entity.id'
'_rep_conf.entity_id' '_entity.id'
'_angular_order_param.entity_id' '_entity.id'
'_tertiary_struct.entity_id' '_entity.id'
'_struct_anno_char.entity_id' '_entity.id'
'_secondary_struct.entity_id' '_entity.id'
'_bond_annotation.entity_id_1' '_entity.id'
'_bond_annotation.entity_id_2' '_entity.id'
'_structure_interaction.entity_id_1' '_entity.id'
'_structure_interaction.entity_id_2' '_entity.id'
'_other_struct_feature.entity_id' '_entity.id'
'_tensor.entity_id' '_entity.id'
'_interatomic_dist.entity_id_1' '_entity.id'
'_interatomic_dist.entity_id_2' '_entity.id'
'_gen_dist_constraint.entity_id_1' '_entity.id'
'_gen_dist_constraint.entity_id_2' '_entity.id'
'_dist_constraint.entity_id' '_entity.id'
'_floating_chirality.entity_id_1' '_entity.id'
'_floating_chirality.entity_id_2' '_entity.id'
'_torsion_angle_constraint.entity_id_1' '_entity.id'
'_torsion_angle_constraint.entity_id_2' '_entity.id'
'_torsion_angle_constraint.entity_id_3' '_entity.id'
'_torsion_angle_constraint.entity_id_4' '_entity.id'
'_rdc_constraint.entity_id_1' '_entity.id'
'_rdc_constraint.entity_id_2' '_entity.id'
'_j_three_bond_constraint.entity_id_1' '_entity.id'
'_j_three_bond_constraint.entity_id_2' '_entity.id'
'_j_three_bond_constraint.entity_id_3' '_entity.id'
'_j_three_bond_constraint.entity_id_4' '_entity.id'
'_ca_cb_constraint.entity_id_1' '_entity.id'
'_ca_cb_constraint.entity_id_2' '_entity.id'
'_ca_cb_constraint.entity_id_3' '_entity.id'
'_ca_cb_constraint.entity_id_4' '_entity.id'
'_ca_cb_constraint.entity_id_5' '_entity.id'
'_h_chem_shift_constraint.entity_id' '_entity.id'
'_other_constraint_list.entity_id' '_entity.id'
'_mz_precursor_ion_annotation.entity_id' '_entity.id'
'_mz_product_ion_annotation.entity_id' '_entity.id'
'_ms_chrom_ion_annotation.entity_id' '_entity.id'
# BMRB/XML: LACS extension
'_lacs_char.entity_id' '_entity.id'
# BMRB/XML: PB extension
'_pb_char.entity_id' '_entity.id'
# BMRB/XML: CS completeness
'_chem_shift_completeness_char.entity_id' '_entity.id'
stop_
_item_type.code 'int'
save_
save__entity.bmrb_code
_item_description.description
;
A code for the entity that uniquely identifies the entity within a library
of entities maintained at BMRB.
;
_item.name '_entity.bmrb_code'
_item.category_id 'entity'
_item.mandatory_code no
_item_type.code 'code'
save_
save__entity.name
_item_description.description
;
A brief name commonly used for the entity.
;
_item.name '_entity.name'
_item.category_id 'entity'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__entity.type
_item_description.description
;
Entities are of two types: polymer or non-polymer.
;
_item.name '_entity.type'
_item.category_id 'entity'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag yes
_item_type.code 'line'
_item_default.value 'polymer'
loop_
_item_enumeration.value
_item_enumeration.detail
polymer 'A biological polymer (protein, peptide, nucleic acid, etc.)'
non-polymer 'Ligand, metal ion, or other non-polymeric molecule'
water ?
aggregate ?
solvent ?
stop_
loop_
_item_examples.case
;
polymer
;
stop_
save_
save__entity.polymer_common_type
_item_description.description
;
A code that indicates the common type of polymer to which the entity belongs.
;
_item.name '_entity.polymer_common_type'
_item.category_id 'entity'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag yes
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
protein ?
DNA ?
RNA ?
'DNA/RNA hybrid' ?
polysaccharide ?
stop_
loop_
_item_examples.case
;
protein
;
stop_
save_
save__entity.polymer_type
_item_description.description
;
Entity polymer types include protein, DNA, RNA, DNA/RNA hybrids, and carbohydrates.
;
_item.name '_entity.polymer_type'
_item.category_id 'entity'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag yes
_item_type.code 'line'
# BMRB/XML: CS completeness
loop_
_item.name
_item.category_id
_item.mandatory_code
'_entity.polymer_type' 'entity' no
'_chem_shift_completeness_list.entity_polymer_type' 'chem_shift_completeness_list' no
stop_
_item_type.code 'line'
# BMRB/XML: CS completeness
loop_
_item_linked.child_name
_item_linked.parent_name
'_chem_shift_completeness_list.entity_polymer_type' '_entity.polymer_type'
stop_
loop_
_item_enumeration.value
_item_enumeration.detail
cyclic-pseudo-peptide ?
polypeptide(L) ?
polydeoxyribonucleotide DNA
polyribonucleotide RNA
'polydeoxyribonucleotide/polyribonucleotide hybrid' ?
polypeptide(D) ?
polysaccharide(D) ?
polysaccharide(L) ?
other ?
stop_
loop_
_item_examples.case
;
polypeptide(L)
;
stop_
save_
save__entity.polymer_type_details
_item_description.description
;
Additional information about the polymer type.
;
_item.name '_entity.polymer_type_details'
_item.category_id 'entity'
_item.mandatory_code no
_item_type.code 'text'
loop_
_item_examples.case
;
The polypeptide contains two D-amino acids at positions 6 and 10
;
stop_
save_
save__entity.polymer_strand_id
_item_description.description
;
The PDB strand/chain id(s) corresponding to this polymer entity.
;
_item.name '_entity.polymer_strand_id'
_item.category_id 'entity'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
A
;
stop_
save_
save__entity.polymer_seq_one_letter_code_can
_item_description.description
;
The sequence of a polymer entity expressed using only the standard one-letter
code for chemical components.
;
_item.name '_entity.polymer_seq_one_letter_code_can'
_item.category_id 'entity'
_item.mandatory_code no
_item_type.code 'text'
save_
save__entity.polymer_seq_one_letter_code
_item_description.description
;
The sequence of a polymer entity expressed using the one-letter code for
standard residues and an X for non-standard residues.
;
_item.name '_entity.polymer_seq_one_letter_code'
_item.category_id 'entity'
_item.mandatory_code no
_item_type.code 'text'
loop_
_item_examples.case
;
HHHHHHAFGCRESWQAKCLPHNMVIXSDF
;
stop_
save_
save__entity.target_identifier
_item_description.description
;
The TargetDB ID for the protein in the molecular system studied.
;
_item.name '_entity.target_identifier'
_item.category_id 'entity'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
356560
;
stop_
save_
save__entity.polymer_author_defined_seq
_item_description.description
;
The author may provide a numbering scheme for a biopolymer that is different
from that defined by the public databases. This scheme may contain non-sequential
numbering and the use of alphabetic characters.
;
_item.name '_entity.polymer_author_defined_seq'
_item.category_id 'entity'
_item.mandatory_code no
_item_type.code 'text'
loop_
_item_examples.case
;
3,K
3a,S
5,A
;
stop_
save_
save__entity.polymer_author_seq_details
_item_description.description
;
A text description of the sequence for this entity.
;
_item.name '_entity.polymer_author_seq_details'
_item.category_id 'entity'
_item.mandatory_code no
_item_type.code 'text'
loop_
_item_examples.case
;
Residues 1-8 represent a non-native affinity tag. This is the cytoplasmic globular domain of a membrane protein
;
stop_
save_
save__entity.ambiguous_conformational_states
_item_description.description
;
A boolean flag to indicate the presence of multiple conformational states
for the entity that have not been clearly defined.
;
_item.name '_entity.ambiguous_conformational_states'
_item.category_id 'entity'
_item.mandatory_code no
_item_type.code 'yes_no'
_item_default.value 'no'
loop_
_item_enumeration.value
_item_enumeration.detail
yes ?
no ?
stop_
loop_
_item_examples.case
;
no
;
stop_
save_
save__entity.ambiguous_chem_comp_sites
_item_description.description
;
A boolean flag that indicates the presence or absence of multiple conformational
states for specific chemical components of the entity.
;
_item.name '_entity.ambiguous_chem_comp_sites'
_item.category_id 'entity'
_item.mandatory_code no
_item_type.code 'yes_no'
_item_default.value 'no'
loop_
_item_enumeration.value
_item_enumeration.detail
yes ?
no ?
stop_
loop_
_item_examples.case
;
no
;
stop_
save_
save__entity.nstd_monomer
_item_description.description
;
A boolean flag that indicates the presence (N) or absence (Y) of non-standard
chemical components in the entity.
;
_item.name '_entity.nstd_monomer'
_item.category_id 'entity'
_item.mandatory_code no
_item_type.code 'yes_no'
_item_default.value 'no'
loop_
_item_enumeration.value
_item_enumeration.detail
yes ?
no ?
stop_
loop_
_item_examples.case
;
yes
;
stop_
save_
save__entity.nstd_chirality
_item_description.description
;
A boolean flag that indicates the presence or absence of non-standard chiral
atoms in the entity.
;
_item.name '_entity.nstd_chirality'
_item.category_id 'entity'
_item.mandatory_code no
_item_type.code 'yes_no'
_item_default.value 'no'
loop_
_item_enumeration.value
_item_enumeration.detail
yes 'polymer contains at least one monomer with different chirality'
no 'polymer contains no monomers with different chirality'
stop_
loop_
_item_examples.case
;
no
;
stop_
save_
save__entity.nstd_linkage
_item_description.description
;
A flag indicating the presence or absence of non-standard linkages between
monomers in the biopolymer.
;
_item.name '_entity.nstd_linkage'
_item.category_id 'entity'
_item.mandatory_code no
_item_type.code 'yes_no'
_item_default.value 'no'
loop_
_item_enumeration.value
_item_enumeration.detail
yes ?
no ?
stop_
loop_
_item_examples.case
;
no
;
stop_
save_
save__entity.nonpolymer_comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_entity.nonpolymer_comp_id'
_item.category_id 'entity'
_item.mandatory_code no
_item_type.code 'code'
save_
save__entity.nonpolymer_comp_label
_item_description.description
;
Pointer to a saveframe of the category chem_comp.
;
_item.name '_entity.nonpolymer_comp_label'
_item.category_id 'entity'
_item.mandatory_code no
_item_type.code 'framecode'
save_
save__entity.number_of_monomers
_item_description.description
;
The number of chemical components that make up a polymer entity.
;
_item.name '_entity.number_of_monomers'
_item.category_id 'entity'
_item.mandatory_code no
_item_type.code 'int'
loop_
_item_examples.case
;
156
;
stop_
save_
save__entity.number_of_nonpolymer_components
_item_description.description
;
Non-polymer compounds like ATP or NAD may be comprised of more than one
chemical component. If you want to describe each of the components in the non-polymer
enter the number of components that exist in the non-polymer entity.
;
_item.name '_entity.number_of_nonpolymer_components'
_item.category_id 'entity'
_item.mandatory_code no
_item_type.code 'int'
_item_default.value '1'
loop_
_item_examples.case
;
4
;
stop_
save_
save__entity.paramagnetic
_item_description.description
;
A boolean flag that indicates the paramagnetic state of the entity.
;
_item.name '_entity.paramagnetic'
_item.category_id 'entity'
_item.mandatory_code no
_item_type.code 'yes_no'
_item_default.value 'no'
loop_
_item_enumeration.value
_item_enumeration.detail
yes ?
no ?
stop_
save_
save__entity.thiol_state
_item_description.description
;
A keyword that describes the state of the thiol groups in the entity.
;
_item.name '_entity.thiol_state'
_item.category_id 'entity'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
'all disulfide bound' ?
'all other bound' ?
'all free' ?
'not present' ?
'not available' ?
unknown ?
'not reported' ?
'free and disulfide bound' ?
'free and other bound' ?
'free disulfide and other bound' ?
'disulfide and other bound' ?
stop_
loop_
_item_examples.case
;
all disulfide bound
;
stop_
save_
save__entity.src_method
_item_description.description
;
The method by which the sample for the entity was produced. Entities isolated
directly from natural sources (tissues, soil samples, etc.) are expected
to have further information in the entity natural source category. Entities isolated
from genetically manipulated sources are expected to have further information
in the entity experimental source category.
;
_item.name '_entity.src_method'
_item.category_id 'entity'
_item.mandatory_code no
_item_type.code 'line'
save_
save__entity.parent_entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_entity.parent_entity_id'
_item.category_id 'entity'
_item.mandatory_code no
_item_type.code 'int'
save_
save__entity.fragment
_item_description.description
;
Entity fragment description(s).
;
_item.name '_entity.fragment'
_item.category_id 'entity'
_item.mandatory_code no
_item_type.code 'text'
loop_
_item_examples.case
;
replicase operator hairpin
;
stop_
save_
save__entity.mutation
_item_description.description
;
Details about any entity mutation(s).
;
_item.name '_entity.mutation'
_item.category_id 'entity'
_item.mandatory_code no
_item_type.code 'text'
loop_
_item_examples.case
;
C280S
;
stop_
save_
save__entity.ec_number
_item_description.description
;
Enzyme Commission number
;
_item.name '_entity.ec_number'
_item.category_id 'entity'
_item.mandatory_code no
_item_type.code 'line'
save_
save__entity.calc_isoelectric_point
_item_description.description
;
The theoretical isoelectric point for the entity.
;
_item.name '_entity.calc_isoelectric_point'
_item.category_id 'entity'
_item.mandatory_code no
_item_type.code 'float'
save_
save__entity.formula_weight
_item_description.description
;
Formula mass in daltons of the entity.
;
_item.name '_entity.formula_weight'
_item.category_id 'entity'
_item.mandatory_code no
_item_type.code 'float'
save_
save__entity.formula_weight_exptl
_item_description.description
;
Experimentally determined formula weight for the molecular entity.
;
_item.name '_entity.formula_weight_exptl'
_item.category_id 'entity'
_item.mandatory_code no
_item_type.code 'float'
save_
save__entity.formula_weight_exptl_meth
_item_description.description
;
Method used to experimentally determine the formula weight for the molecular
entity.
;
_item.name '_entity.formula_weight_exptl_meth'
_item.category_id 'entity'
_item.mandatory_code no
_item_type.code 'line'
save_
save__entity.details
_item_description.description
;
Text providing additional details regarding this entity.
;
_item.name '_entity.details'
_item.category_id 'entity'
_item.mandatory_code no
_item_type.code 'text'
save_
save__entity.db_query_date
_item_description.description
;
Last date that a query was conducted to locate entries in databases that
are related to this molecular entity.
;
_item.name '_entity.db_query_date'
_item.category_id 'entity'
_item.mandatory_code no
_item_type.code 'yyyy-mm-dd'
save_
save__entity.db_query_revised_last_date
_item_description.description
;
Last date that the table of related database entries was last updated.
;
_item.name '_entity.db_query_revised_last_date'
_item.category_id 'entity'
_item.mandatory_code no
_item_type.code 'yyyy-mm-dd'
save_
save_entity_db_link
_category.description
;
Items in the entity_db_link provide the names of databases and accession numbers for entries in the databases that are related to a molecular entity and information about the link entry.
;
_category.id 'entity_db_link'
_category.mandatory_code yes
loop_
_category_key.name
'_entity_db_link.database_code'
'_entity_db_link.accession_code'
'_entity_db_link.entry_id'
'_entity_db_link.entity_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entity'
stop_
save_
save__entity_db_link.ordinal
_item_description.description
;
An integer value used to maintain the order of the rows in the entity DB
loop when reading and writing NMR-STAR files.
;
_item.name '_entity_db_link.ordinal'
_item.category_id 'entity_db_link'
_item.mandatory_code no
_item_type.code 'int'
save_
save__entity_db_link.author_supplied
_item_description.description
;
A code indicating that the link to a related database was provided by an
author (yes) or obtained through another method (no).
;
_item.name '_entity_db_link.author_supplied'
_item.category_id 'entity_db_link'
_item.mandatory_code no
_item_type.code 'yes_no'
_item_default.value 'yes'
loop_
_item_enumeration.value
_item_enumeration.detail
yes ?
no ?
stop_
loop_
_item_examples.case
;
yes
;
stop_
save_
save__entity_db_link.database_code
_item_description.description
;
Code assigned to a database.
;
_item.name '_entity_db_link.database_code'
_item.category_id 'entity_db_link'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
BMRB ?
DBJ ?
EMBL ?
GB ?
PDB ?
PIR ?
PRF ?
REF ?
SP ?
UNP ?
NCBI ?
HUGO 'HUGO Gene Nomenclature Committee'
tRNADB 'transfer RNA database'
BMRB(withdrawn) ?
stop_
loop_
_item_examples.case
;
SWS
;
stop_
save_
save__entity_db_link.accession_code
_item_description.description
;
Accession code for the entry in the database.
;
_item.name '_entity_db_link.accession_code'
_item.category_id 'entity_db_link'
_item.mandatory_code yes
_item_type.code 'line'
loop_
_item_examples.case
;
P09020
;
stop_
save_
save__entity_db_link.entry_mol_code
_item_description.description
;
Code assigned by the database to the molecule in the database entry.
;
_item.name '_entity_db_link.entry_mol_code'
_item.category_id 'entity_db_link'
_item.mandatory_code no
_item_type.code 'line'
save_
save__entity_db_link.entry_mol_name
_item_description.description
;
Name of the molecular entity in the database entry.
;
_item.name '_entity_db_link.entry_mol_name'
_item.category_id 'entity_db_link'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
Cyt c
;
stop_
save_
save__entity_db_link.entry_experimental_method
_item_description.description
;
For structural databases, the method used to determine the structure.
;
_item.name '_entity_db_link.entry_experimental_method'
_item.category_id 'entity_db_link'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
'solution NMR' ?
'solid-state NMR' ?
'X-ray crystallography' ?
# BMRB/XML: Added na.
na ?
stop_
save_
save__entity_db_link.entry_structure_resolution
_item_description.description
;
A value taken from the database that is a measure of the quality of the
structure.
;
_item.name '_entity_db_link.entry_structure_resolution'
_item.category_id 'entity_db_link'
_item.mandatory_code no
_item_type.code 'float'
save_
save__entity_db_link.entry_relation_type
_item_description.description
;
A brief description of how the database entry is related to the molecular
entity.
;
_item.name '_entity_db_link.entry_relation_type'
_item.category_id 'entity_db_link'
_item.mandatory_code no
_item_type.code 'line'
save_
save__entity_db_link.entry_details
_item_description.description
;
Text providing additional information about the matching entry.
;
_item.name '_entity_db_link.entry_details'
_item.category_id 'entity_db_link'
_item.mandatory_code no
_item_type.code 'text'
save_
save__entity_db_link.chimera_segment_id
_item_description.description
;
Code indicating if the listed database link is specific to the fragment
of the entity described by the tag '_Entity.Fragment'.
;
_item.name '_entity_db_link.chimera_segment_id'
_item.category_id 'entity_db_link'
_item.mandatory_code no
_item_type.code 'int'
save_
save__entity_db_link.seq_query_to_submitted_percent
_item_description.description
;
In percent, the ratio of the length of retrieve sequence to the length
of the sequence of the molecular entity. This value can be used to determine if
the retrieved sequence is a subset or superset of the molecular entity.
;
_item.name '_entity_db_link.seq_query_to_submitted_percent'
_item.category_id 'entity_db_link'
_item.mandatory_code no
_item_type.code 'float'
save_
save__entity_db_link.seq_subject_length
_item_description.description
;
Length of the polymer sequence retrieve from the database.
;
_item.name '_entity_db_link.seq_subject_length'
_item.category_id 'entity_db_link'
_item.mandatory_code no
_item_type.code 'int'
save_
save__entity_db_link.seq_identity
_item_description.description
;
Number of residues in the retrieved sequence that have identical positions
in the molecular entity determined by a homology alignment method.
;
_item.name '_entity_db_link.seq_identity'
_item.category_id 'entity_db_link'
_item.mandatory_code no
_item_type.code 'float'
save_
save__entity_db_link.seq_positive
_item_description.description
;
Number of residues in the retrieved sequence where the corresponding residue
in the molecular entity sequence has similar physical characteristics (hydrophobicity,
charge, etc.)
;
_item.name '_entity_db_link.seq_positive'
_item.category_id 'entity_db_link'
_item.mandatory_code no
_item_type.code 'float'
save_
save__entity_db_link.seq_homology_expectation_val
_item_description.description
;
The BLAST expectation value for the homology between the retrieved polymer
and the molecular entity.
;
_item.name '_entity_db_link.seq_homology_expectation_val'
_item.category_id 'entity_db_link'
_item.mandatory_code no
_item_type.code 'float'
save_
save__entity_db_link.seq_align_begin
_item_description.description
;
The sequence position in the database sequence at which the alignment with
the sequence of the biopolymer studied begins.
;
_item.name '_entity_db_link.seq_align_begin'
_item.category_id 'entity_db_link'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
10
;
stop_
save_
save__entity_db_link.seq_align_end
_item_description.description
;
The sequence position in the database sequence at which the alignment with
the sequence of the biopolymer studied.
;
_item.name '_entity_db_link.seq_align_end'
_item.category_id 'entity_db_link'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
95
;
stop_
save_
save__entity_db_link.seq_difference_details
_item_description.description
;
Text describing the differences in the sequences for the matched polymers.
;
_item.name '_entity_db_link.seq_difference_details'
_item.category_id 'entity_db_link'
_item.mandatory_code no
_item_type.code 'text'
save_
save__entity_db_link.seq_alignment_details
_item_description.description
;
Text describing the alignment between the matched polymer sequences.
;
_item.name '_entity_db_link.seq_alignment_details'
_item.category_id 'entity_db_link'
_item.mandatory_code no
_item_type.code 'text'
save_
save__entity_db_link.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity_db_link.entry_id'
_item.category_id 'entity_db_link'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__entity_db_link.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_entity_db_link.entity_id'
_item.category_id 'entity_db_link'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_entity_biological_function
_category.description
;
Items in the entity_biological_function category describe the biological function of the molecular entity.
;
_category.id 'entity_biological_function'
_category.mandatory_code yes
loop_
_category_key.name
'_entity_biological_function.biological_function'
'_entity_biological_function.entry_id'
'_entity_biological_function.entity_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entity'
stop_
save_
save__entity_biological_function.biological_function
_item_description.description
;
A specific function carried out by the molecular entity in its native biological
system.
;
_item.name '_entity_biological_function.biological_function'
_item.category_id 'entity_biological_function'
_item.mandatory_code yes
_item_type.code 'text'
loop_
_item_examples.case
;
electron transport; protease; kinase
;
stop_
save_
save__entity_biological_function.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity_biological_function.entry_id'
_item.category_id 'entity_biological_function'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__entity_biological_function.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_entity_biological_function.entity_id'
_item.category_id 'entity_biological_function'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_entity_common_name
_category.description
;
Items in the entity_common_name category provide a list of common names for the molecular entity.
;
_category.id 'entity_common_name'
_category.mandatory_code yes
loop_
_category_key.name
'_entity_common_name.name'
'_entity_common_name.type'
'_entity_common_name.entry_id'
'_entity_common_name.entity_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entity'
stop_
save_
save__entity_common_name.name
_item_description.description
;
A name commonly used in the literature to refer to this biopolymer. This
may be a full name or an abbreviation.
;
_item.name '_entity_common_name.name'
_item.category_id 'entity_common_name'
_item.mandatory_code yes
_item_type.code 'line'
loop_
_item_examples.case
;
Rnase
;
stop_
save_
save__entity_common_name.type
_item_description.description
;
A code defining the type of the common name provided.
;
_item.name '_entity_common_name.type'
_item.category_id 'entity_common_name'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag yes
_item_type.code 'line'
# loop_
# _item_enumeration.value
# _item_enumeration.detail
# BMRB/XML: Eliminated the following enumerations.
# common 'An often used full name for the entity'
# abbreviation 'Common abbreviation used in the literature for the entity'
# synonym 'A synonym used for the entity'
#
# stop_
loop_
_item_examples.case
;
abbreviation
;
stop_
save_
save__entity_common_name.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity_common_name.entry_id'
_item.category_id 'entity_common_name'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__entity_common_name.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_entity_common_name.entity_id'
_item.category_id 'entity_common_name'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_entity_systematic_name
_category.description
;
Items in the entity_systematic_name category provide a list of systematic names for a molecular entity and the systematic naming system.
;
_category.id 'entity_systematic_name'
_category.mandatory_code yes
loop_
_category_key.name
'_entity_systematic_name.naming_system'
'_entity_systematic_name.entry_id'
'_entity_systematic_name.entity_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entity'
stop_
save_
save__entity_systematic_name.name
_item_description.description
;
A name for the biopolymer that has been defined by an official body or
is derived from rules defined by an official organization recognized by the scientific
community.
;
_item.name '_entity_systematic_name.name'
_item.category_id 'entity_systematic_name'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__entity_systematic_name.naming_system
_item_description.description
;
An official method of nomenclature or defined set of nomenclature for biopolymers
recognized by the scientific community.
;
_item.name '_entity_systematic_name.naming_system'
_item.category_id 'entity_systematic_name'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
IUPAC ?
'CAS name' ?
'CAS registry number' ?
BMRB ?
'Three letter code' ?
Pfam ?
Swiss-Prot ?
EC ?
NCBI ?
stop_
loop_
_item_examples.case
;
Enzyme Commission
;
stop_
save_
save__entity_systematic_name.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity_systematic_name.entry_id'
_item.category_id 'entity_systematic_name'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__entity_systematic_name.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_entity_systematic_name.entity_id'
_item.category_id 'entity_systematic_name'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_entity_keyword
_category.description
;
Items in the entity_keyword category provide a list of keywords that describe a molecular entity.
;
_category.id 'entity_keyword'
_category.mandatory_code yes
loop_
_category_key.name
'_entity_keyword.keyword'
'_entity_keyword.entry_id'
'_entity_keyword.entity_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entity'
stop_
save_
save__entity_keyword.keyword
_item_description.description
;
A single word or very brief phrase that characterizes the molecular entity.
;
_item.name '_entity_keyword.keyword'
_item.category_id 'entity_keyword'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__entity_keyword.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity_keyword.entry_id'
_item.category_id 'entity_keyword'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__entity_keyword.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_entity_keyword.entity_id'
_item.category_id 'entity_keyword'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_entity_comp_index
_category.description
;
Items in the entity_comp_index category provide a consistent numbering system for the moieties (amino acid residues, nucleotides, monosaccharides, or other chemical components) that are linked together through chemical bonds to form either a polymer or a non-polymer entity.
;
_category.id 'entity_comp_index'
_category.mandatory_code yes
loop_
_category_key.name
'_entity_comp_index.id'
'_entity_comp_index.entry_id'
'_entity_comp_index.entity_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entity'
stop_
save_
save__entity_comp_index.id
_item_description.description
;
Unique ID for the compound in the entity
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_entity_comp_index.id' 'entity_comp_index' yes
'_bond.comp_index_id_1' 'bond' yes
'_bond.comp_index_id_2' 'bond' yes
'_entity_deleted_atom.comp_index_id' 'entity_deleted_atom' yes
'_chem_comp_assembly.comp_index_id' 'chem_comp_assembly' yes
'_pdbx_poly_seq_scheme.comp_index_id' 'pdbx_poly_seq_scheme' yes
'_pdbx_nonpoly_scheme.comp_index_id' 'pdbx_nonpoly_scheme' yes
'_atom.comp_index_id' 'atom' yes
'_angle.comp_index_id_1' 'angle' yes
'_angle.comp_index_id_2' 'angle' yes
'_angle.comp_index_id_3' 'angle' yes
'_torsion_angle.comp_index_id_1' 'torsion_angle' yes
'_torsion_angle.comp_index_id_2' 'torsion_angle' yes
'_torsion_angle.comp_index_id_3' 'torsion_angle' yes
'_torsion_angle.comp_index_id_4' 'torsion_angle' yes
'_assembly_segment.comp_index_id' 'assembly_segment' yes
'_author_annotation.comp_index_id' 'author_annotation' yes
'_author_annotation.comp_index_id_start' 'author_annotation' yes
'_author_annotation.comp_index_id_end' 'author_annotation' yes
'_entity_poly_seq.comp_index_id' 'entity_poly_seq' yes
'_entity_chimera_segment.comp_index_id_begin' 'entity_chimera_segment' yes
'_entity_chimera_segment.comp_index_id_end' 'entity_chimera_segment' yes
'_entity_comp_index_alt.entity_comp_index_id' 'entity_comp_index_alt' yes
'_entity_atom_list.comp_index_id' 'entity_atom_list' yes
'_entity_chem_comp_deleted_atom.comp_index_id' 'entity_chem_comp_deleted_atom' yes
'_entity_bond.comp_index_id_1' 'entity_bond' yes
'_entity_bond.comp_index_id_2' 'entity_bond' yes
'_sample_component_atom_isotope.comp_index_id' 'sample_component_atom_isotope' yes
'_atom_chem_shift.comp_index_id' 'atom_chem_shift' yes
'_theoretical_chem_shift.comp_index_id' 'theoretical_chem_shift' yes
'_coupling_constant.comp_index_id_1' 'coupling_constant' yes
'_coupling_constant.comp_index_id_2' 'coupling_constant' yes
'_theoretical_coupling_constant.comp_index_id_1' 'theoretical_coupling_constant' yes
'_theoretical_coupling_constant.comp_index_id_2' 'theoretical_coupling_constant' yes
'_assigned_peak_chem_shift.comp_index_id' 'assigned_peak_chem_shift' yes
'_peak_row_format.comp_index_id_1' 'peak_row_format' yes
'_peak_row_format.comp_index_id_2' 'peak_row_format' yes
'_peak_row_format.comp_index_id_3' 'peak_row_format' yes
'_peak_row_format.comp_index_id_4' 'peak_row_format' yes
'_peak_row_format.comp_index_id_5' 'peak_row_format' yes
'_assigned_spectral_transition.comp_index_id' 'assigned_spectral_transition' yes
'_resonance_assignment.comp_index_id' 'resonance_assignment' yes
'_spin_system.comp_index_id' 'spin_system' yes
'_isotope_effect.comp_index_id' 'isotope_effect' yes
'_isotope_label_pattern.comp_index_id' 'isotope_label_pattern' yes
'_chem_shift_perturbation.comp_index_id' 'chem_shift_perturbation' yes
'_cs_anisotropy.comp_index_id' 'cs_anisotropy' yes
'_rdc.comp_index_id_1' 'rdc' yes
'_rdc.comp_index_id_2' 'rdc' yes
'_dipolar_coupling.comp_index_id_1' 'dipolar_coupling' yes
'_dipolar_coupling.comp_index_id_2' 'dipolar_coupling' yes
'_spectral_density.comp_index_id' 'spectral_density' yes
'_other_data.comp_index_id' 'other_data' yes
'_chemical_rate.comp_index_id' 'chemical_rate' yes
'_h_exch_rate.comp_index_id' 'h_exch_rate' yes
'_h_exch_protection_factor.comp_index_id' 'h_exch_protection_factor' yes
'_homonucl_noe.comp_index_id_1' 'homonucl_noe' yes
'_homonucl_noe.comp_index_id_2' 'homonucl_noe' yes
'_heteronucl_noe.comp_index_id_1' 'heteronucl_noe' yes
'_heteronucl_noe.comp_index_id_2' 'heteronucl_noe' yes
'_theoretical_heteronucl_noe.comp_index_id_1' 'theoretical_heteronucl_noe' yes
'_theoretical_heteronucl_noe.comp_index_id_2' 'theoretical_heteronucl_noe' yes
'_t1.comp_index_id' 't1' yes
'_theoretical_t1.comp_index_id' 'theoretical_t1' yes
'_t1rho.comp_index_id' 't1rho' yes
'_t2.comp_index_id' 't2' yes
'_theoretical_t2.comp_index_id' 'theoretical_t2' yes
'_auto_relaxation.comp_index_id' 'auto_relaxation' yes
'_theoretical_auto_relaxation.comp_index_id' 'theoretical_auto_relaxation' yes
'_dipole_dipole_relax.comp_index_id_1' 'dipole_dipole_relax' yes
'_dipole_dipole_relax.comp_index_id_2' 'dipole_dipole_relax' yes
'_cross_correlation_dd.dipole_1_comp_index_id_1' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_1_comp_index_id_2' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_2_comp_index_id_1' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_2_chem_comp_index_id_2' 'cross_correlation_dd' yes
'_theoretical_cross_correlation_dd.dipole_1_comp_index_id_1' 'theoretical_cross_correlation_dd' yes
'_theoretical_cross_correlation_dd.dipole_1_comp_index_id_2' 'theoretical_cross_correlation_dd' yes
'_theoretical_cross_correlation_dd.dipole_2_comp_index_id_1' 'theoretical_cross_correlation_dd' yes
'_theoretical_cross_correlation_dd.dipole_2_chem_comp_index_id_2' 'theoretical_cross_correlation_dd' yes
'_cross_correlation_d_csa.dipole_comp_index_id_1' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.dipole_comp_index_id_2' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.csa_comp_index_id_1' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.csa_comp_index_id_2' 'cross_correlation_d_csa' yes
'_order_param.comp_index_id' 'order_param' yes
'_ph_titr_result.atm_obs_comp_index_id' 'ph_titr_result' yes
'_ph_titr_result.atm_titr_comp_index_id' 'ph_titr_result' yes
'_d_h_fractionation_factor.comp_index_id' 'd_h_fractionation_factor' yes
'_binding_result.atm_obs_comp_index_id' 'binding_result' yes
'_deduced_secd_struct_exptl.comp_index_id_start' 'deduced_secd_struct_exptl' yes
'_deduced_secd_struct_exptl.comp_index_id_end' 'deduced_secd_struct_exptl' yes
'_deduced_secd_struct_feature.comp_index_id' 'deduced_secd_struct_feature' yes
'_deduced_h_bond.heavy_atom_comp_index_id_1' 'deduced_h_bond' yes
'_deduced_h_bond.heavy_atom_comp_index_id_2' 'deduced_h_bond' yes
'_deduced_h_bond.h_atom_comp_index_id' 'deduced_h_bond' yes
'_local_structure_quality.comp_index_id_begin' 'local_structure_quality' yes
'_local_structure_quality.comp_index_id_end' 'local_structure_quality' yes
'_atom_site.label_comp_index_id' 'atom_site' yes
'_terminal_residue.comp_index_id' 'terminal_residue' yes
'_rep_conf.comp_index_id' 'rep_conf' yes
'_angular_order_param.comp_index_id' 'angular_order_param' yes
'_tertiary_struct.comp_index_id' 'tertiary_struct' yes
'_struct_anno_char.comp_index_id' 'struct_anno_char' yes
'_secondary_struct.comp_index_id_start' 'secondary_struct' yes
'_secondary_struct.comp_index_id_end' 'secondary_struct' yes
'_bond_annotation.comp_index_id_1' 'bond_annotation' yes
'_bond_annotation.comp_index_id_2' 'bond_annotation' yes
'_structure_interaction.comp_index_id_1' 'structure_interaction' yes
'_structure_interaction.comp_index_id_2' 'structure_interaction' yes
'_tensor.comp_index_id' 'tensor' yes
'_interatomic_dist.comp_index_id_1' 'interatomic_dist' yes
'_interatomic_dist.comp_index_id_2' 'interatomic_dist' yes
'_gen_dist_constraint.comp_index_id_1' 'gen_dist_constraint' yes
'_gen_dist_constraint.comp_index_id_2' 'gen_dist_constraint' yes
'_dist_constraint.comp_index_id' 'dist_constraint' yes
'_floating_chirality.comp_index_id_1' 'floating_chirality' yes
'_floating_chirality.comp_index_id_2' 'floating_chirality' yes
'_torsion_angle_constraint.comp_index_id_1' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.comp_index_id_2' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.comp_index_id_3' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.comp_index_id_4' 'torsion_angle_constraint' yes
# BMRB/XML: Fatal error while DDL mapping
# '_rdc_constraint_list.tensor_comp_index_id' 'rdc_constraint_list' yes
'_rdc_constraint.comp_index_id_1' 'rdc_constraint' yes
'_rdc_constraint.comp_index_id_2' 'rdc_constraint' yes
'_j_three_bond_constraint.comp_index_id_1' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.comp_index_id_2' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.comp_index_id_3' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.comp_index_id_4' 'j_three_bond_constraint' yes
'_ca_cb_constraint.comp_index_id_1' 'ca_cb_constraint' yes
'_ca_cb_constraint.comp_index_id_2' 'ca_cb_constraint' yes
'_ca_cb_constraint.comp_index_id_3' 'ca_cb_constraint' yes
'_ca_cb_constraint.comp_index_id_4' 'ca_cb_constraint' yes
'_ca_cb_constraint.comp_index_id_5' 'ca_cb_constraint' yes
'_h_chem_shift_constraint.comp_index_id' 'h_chem_shift_constraint' yes
'_mz_precursor_ion_annotation.comp_index_id' 'mz_precursor_ion_annotation' yes
'_mz_product_ion_annotation.comp_index_id' 'mz_product_ion_annotation' yes
'_ms_chrom_ion_annotation.comp_index_id' 'ms_chrom_ion_annotation' yes
# BMRB/XML: LACS extension
'_lacs_char.comp_index_id' 'lacs_char' yes
# BMRB/XML: PB extension
'_pb_char.comp_index_id' 'pb_char' yes
# BMRB/XML: CS completeness
'_chem_shift_completeness_char.comp_index_id' 'chem_shift_completeness_char' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_bond.comp_index_id_1' '_entity_comp_index.id'
'_bond.comp_index_id_2' '_entity_comp_index.id'
'_entity_deleted_atom.comp_index_id' '_entity_comp_index.id'
'_chem_comp_assembly.comp_index_id' '_entity_comp_index.id'
'_pdbx_poly_seq_scheme.comp_index_id' '_entity_comp_index.id'
'_pdbx_nonpoly_scheme.comp_index_id' '_entity_comp_index.id'
'_atom.comp_index_id' '_entity_comp_index.id'
'_angle.comp_index_id_1' '_entity_comp_index.id'
'_angle.comp_index_id_2' '_entity_comp_index.id'
'_angle.comp_index_id_3' '_entity_comp_index.id'
'_torsion_angle.comp_index_id_1' '_entity_comp_index.id'
'_torsion_angle.comp_index_id_2' '_entity_comp_index.id'
'_torsion_angle.comp_index_id_3' '_entity_comp_index.id'
'_torsion_angle.comp_index_id_4' '_entity_comp_index.id'
'_assembly_segment.comp_index_id' '_entity_comp_index.id'
'_author_annotation.comp_index_id' '_entity_comp_index.id'
'_author_annotation.comp_index_id_start' '_entity_comp_index.id'
'_author_annotation.comp_index_id_end' '_entity_comp_index.id'
'_entity_poly_seq.comp_index_id' '_entity_comp_index.id'
'_entity_chimera_segment.comp_index_id_begin' '_entity_comp_index.id'
'_entity_chimera_segment.comp_index_id_end' '_entity_comp_index.id'
'_entity_comp_index_alt.entity_comp_index_id' '_entity_comp_index.id'
'_entity_atom_list.comp_index_id' '_entity_comp_index.id'
'_entity_chem_comp_deleted_atom.comp_index_id' '_entity_comp_index.id'
'_entity_bond.comp_index_id_1' '_entity_comp_index.id'
'_entity_bond.comp_index_id_2' '_entity_comp_index.id'
'_sample_component_atom_isotope.comp_index_id' '_entity_comp_index.id'
'_atom_chem_shift.comp_index_id' '_entity_comp_index.id'
'_theoretical_chem_shift.comp_index_id' '_entity_comp_index.id'
'_coupling_constant.comp_index_id_1' '_entity_comp_index.id'
'_coupling_constant.comp_index_id_2' '_entity_comp_index.id'
'_theoretical_coupling_constant.comp_index_id_1' '_entity_comp_index.id'
'_theoretical_coupling_constant.comp_index_id_2' '_entity_comp_index.id'
'_assigned_peak_chem_shift.comp_index_id' '_entity_comp_index.id'
'_peak_row_format.comp_index_id_1' '_entity_comp_index.id'
'_peak_row_format.comp_index_id_2' '_entity_comp_index.id'
'_peak_row_format.comp_index_id_3' '_entity_comp_index.id'
'_peak_row_format.comp_index_id_4' '_entity_comp_index.id'
'_peak_row_format.comp_index_id_5' '_entity_comp_index.id'
'_assigned_spectral_transition.comp_index_id' '_entity_comp_index.id'
'_resonance_assignment.comp_index_id' '_entity_comp_index.id'
'_spin_system.comp_index_id' '_entity_comp_index.id'
'_isotope_effect.comp_index_id' '_entity_comp_index.id'
'_isotope_label_pattern.comp_index_id' '_entity_comp_index.id'
'_chem_shift_perturbation.comp_index_id' '_entity_comp_index.id'
'_cs_anisotropy.comp_index_id' '_entity_comp_index.id'
'_rdc.comp_index_id_1' '_entity_comp_index.id'
'_rdc.comp_index_id_2' '_entity_comp_index.id'
'_dipolar_coupling.comp_index_id_1' '_entity_comp_index.id'
'_dipolar_coupling.comp_index_id_2' '_entity_comp_index.id'
'_spectral_density.comp_index_id' '_entity_comp_index.id'
'_other_data.comp_index_id' '_entity_comp_index.id'
'_chemical_rate.comp_index_id' '_entity_comp_index.id'
'_h_exch_rate.comp_index_id' '_entity_comp_index.id'
'_h_exch_protection_factor.comp_index_id' '_entity_comp_index.id'
'_homonucl_noe.comp_index_id_1' '_entity_comp_index.id'
'_homonucl_noe.comp_index_id_2' '_entity_comp_index.id'
'_heteronucl_noe.comp_index_id_1' '_entity_comp_index.id'
'_heteronucl_noe.comp_index_id_2' '_entity_comp_index.id'
'_theoretical_heteronucl_noe.comp_index_id_1' '_entity_comp_index.id'
'_theoretical_heteronucl_noe.comp_index_id_2' '_entity_comp_index.id'
'_t1.comp_index_id' '_entity_comp_index.id'
'_theoretical_t1.comp_index_id' '_entity_comp_index.id'
'_t1rho.comp_index_id' '_entity_comp_index.id'
'_t2.comp_index_id' '_entity_comp_index.id'
'_theoretical_t2.comp_index_id' '_entity_comp_index.id'
'_auto_relaxation.comp_index_id' '_entity_comp_index.id'
'_theoretical_auto_relaxation.comp_index_id' '_entity_comp_index.id'
'_dipole_dipole_relax.comp_index_id_1' '_entity_comp_index.id'
'_dipole_dipole_relax.comp_index_id_2' '_entity_comp_index.id'
'_cross_correlation_dd.dipole_1_comp_index_id_1' '_entity_comp_index.id'
'_cross_correlation_dd.dipole_1_comp_index_id_2' '_entity_comp_index.id'
'_cross_correlation_dd.dipole_2_comp_index_id_1' '_entity_comp_index.id'
'_cross_correlation_dd.dipole_2_chem_comp_index_id_2' '_entity_comp_index.id'
'_theoretical_cross_correlation_dd.dipole_1_comp_index_id_1' '_entity_comp_index.id'
'_theoretical_cross_correlation_dd.dipole_1_comp_index_id_2' '_entity_comp_index.id'
'_theoretical_cross_correlation_dd.dipole_2_comp_index_id_1' '_entity_comp_index.id'
'_theoretical_cross_correlation_dd.dipole_2_chem_comp_index_id_2' '_entity_comp_index.id'
'_cross_correlation_d_csa.dipole_comp_index_id_1' '_entity_comp_index.id'
'_cross_correlation_d_csa.dipole_comp_index_id_2' '_entity_comp_index.id'
'_cross_correlation_d_csa.csa_comp_index_id_1' '_entity_comp_index.id'
'_cross_correlation_d_csa.csa_comp_index_id_2' '_entity_comp_index.id'
'_order_param.comp_index_id' '_entity_comp_index.id'
'_ph_titr_result.atm_obs_comp_index_id' '_entity_comp_index.id'
'_ph_titr_result.atm_titr_comp_index_id' '_entity_comp_index.id'
'_d_h_fractionation_factor.comp_index_id' '_entity_comp_index.id'
'_binding_result.atm_obs_comp_index_id' '_entity_comp_index.id'
'_deduced_secd_struct_exptl.comp_index_id_start' '_entity_comp_index.id'
'_deduced_secd_struct_exptl.comp_index_id_end' '_entity_comp_index.id'
'_deduced_secd_struct_feature.comp_index_id' '_entity_comp_index.id'
'_deduced_h_bond.heavy_atom_comp_index_id_1' '_entity_comp_index.id'
'_deduced_h_bond.heavy_atom_comp_index_id_2' '_entity_comp_index.id'
'_deduced_h_bond.h_atom_comp_index_id' '_entity_comp_index.id'
'_local_structure_quality.comp_index_id_begin' '_entity_comp_index.id'
'_local_structure_quality.comp_index_id_end' '_entity_comp_index.id'
'_atom_site.label_comp_index_id' '_entity_comp_index.id'
'_terminal_residue.comp_index_id' '_entity_comp_index.id'
'_rep_conf.comp_index_id' '_entity_comp_index.id'
'_angular_order_param.comp_index_id' '_entity_comp_index.id'
'_tertiary_struct.comp_index_id' '_entity_comp_index.id'
'_struct_anno_char.comp_index_id' '_entity_comp_index.id'
'_secondary_struct.comp_index_id_start' '_entity_comp_index.id'
'_secondary_struct.comp_index_id_end' '_entity_comp_index.id'
'_bond_annotation.comp_index_id_1' '_entity_comp_index.id'
'_bond_annotation.comp_index_id_2' '_entity_comp_index.id'
'_structure_interaction.comp_index_id_1' '_entity_comp_index.id'
'_structure_interaction.comp_index_id_2' '_entity_comp_index.id'
'_tensor.comp_index_id' '_entity_comp_index.id'
'_interatomic_dist.comp_index_id_1' '_entity_comp_index.id'
'_interatomic_dist.comp_index_id_2' '_entity_comp_index.id'
'_gen_dist_constraint.comp_index_id_1' '_entity_comp_index.id'
'_gen_dist_constraint.comp_index_id_2' '_entity_comp_index.id'
'_dist_constraint.comp_index_id' '_entity_comp_index.id'
'_floating_chirality.comp_index_id_1' '_entity_comp_index.id'
'_floating_chirality.comp_index_id_2' '_entity_comp_index.id'
'_torsion_angle_constraint.comp_index_id_1' '_entity_comp_index.id'
'_torsion_angle_constraint.comp_index_id_2' '_entity_comp_index.id'
'_torsion_angle_constraint.comp_index_id_3' '_entity_comp_index.id'
'_torsion_angle_constraint.comp_index_id_4' '_entity_comp_index.id'
# BMRB/XML: Fatal error while DDL mapping
# '_rdc_constraint_list.tensor_comp_index_id' '_entity_comp_index.id'
'_rdc_constraint.comp_index_id_1' '_entity_comp_index.id'
'_rdc_constraint.comp_index_id_2' '_entity_comp_index.id'
'_j_three_bond_constraint.comp_index_id_1' '_entity_comp_index.id'
'_j_three_bond_constraint.comp_index_id_2' '_entity_comp_index.id'
'_j_three_bond_constraint.comp_index_id_3' '_entity_comp_index.id'
'_j_three_bond_constraint.comp_index_id_4' '_entity_comp_index.id'
'_ca_cb_constraint.comp_index_id_1' '_entity_comp_index.id'
'_ca_cb_constraint.comp_index_id_2' '_entity_comp_index.id'
'_ca_cb_constraint.comp_index_id_3' '_entity_comp_index.id'
'_ca_cb_constraint.comp_index_id_4' '_entity_comp_index.id'
'_ca_cb_constraint.comp_index_id_5' '_entity_comp_index.id'
'_h_chem_shift_constraint.comp_index_id' '_entity_comp_index.id'
'_mz_precursor_ion_annotation.comp_index_id' '_entity_comp_index.id'
'_mz_product_ion_annotation.comp_index_id' '_entity_comp_index.id'
'_ms_chrom_ion_annotation.comp_index_id' '_entity_comp_index.id'
# BMRB/XML: LACS extension
'_lacs_char.comp_index_id' '_entity_comp_index.id'
# BMRB/XML: PB extension
'_pb_char.comp_index_id' '_entity_comp_index.id'
# BMRB/XML: CS completeness
'_chem_shift_completeness_char.comp_index_id' '_entity_comp_index.id'
stop_
_item_type.code 'int'
save_
save__entity_comp_index.auth_seq_id
_item_description.description
;
Author supplied sequence number identifying the position in the sequence
of the polymer where the alternate residue or chemical compound is located.
;
_item.name '_entity_comp_index.auth_seq_id'
_item.category_id 'entity_comp_index'
_item.mandatory_code no
_item_type.code 'code'
save_
save__entity_comp_index.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_entity_comp_index.comp_id'
_item.category_id 'entity_comp_index'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__entity_comp_index.comp_label
_item_description.description
;
Pointer to a saveframe of the category chem_comp.
;
_item.name '_entity_comp_index.comp_label'
_item.category_id 'entity_comp_index'
_item.mandatory_code no
_item_type.code 'framecode'
save_
save__entity_comp_index.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity_comp_index.entry_id'
_item.category_id 'entity_comp_index'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__entity_comp_index.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_entity_comp_index.entity_id'
_item.category_id 'entity_comp_index'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_entity_poly_seq
_category.description
;
Data items in the entity_poly_seq category specify the sequence of monomers in a polymer. Allowance is made for the possibility of microheterogeneity in a sample by allowing a given sequence number to be correlated with more than one monomer ID. The corresponding ATOM_SITE entries should reflect this heterogeneity.
;
_category.id 'entity_poly_seq'
_category.mandatory_code yes
loop_
_category_key.name
'_entity_poly_seq.num'
'_entity_poly_seq.entry_id'
'_entity_poly_seq.entity_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entity'
stop_
save_
save__entity_poly_seq.hetero
_item_description.description
;
A flag to indicate whether this monomer in the polymer is heterogeneous
in sequence. This would be rare.
;
_item.name '_entity_poly_seq.hetero'
_item.category_id 'entity_poly_seq'
_item.mandatory_code no
_item_type.code 'ucode'
save_
save__entity_poly_seq.mon_id
_item_description.description
;
This data item is a pointer to '_Chem_comp.ID' in the chem_comp category.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_entity_poly_seq.mon_id' 'entity_poly_seq' no
'_pdbx_poly_seq_scheme.mon_id' 'pdbx_poly_seq_scheme' no
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_pdbx_poly_seq_scheme.mon_id' '_entity_poly_seq.mon_id'
stop_
_item_type.code 'code'
save_
save__entity_poly_seq.num
_item_description.description
;
The value of '_Entity_poly_seq.Num must uniquely and sequentially identify
a record in the Entiy_poly_seq list. Note that this item must be a number and
that the sequence numbers must progress in increasing numerical order.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_entity_poly_seq.num' 'entity_poly_seq' yes
'_bond.seq_id_1' 'bond' yes
'_bond.seq_id_2' 'bond' yes
'_entity_deleted_atom.seq_id' 'entity_deleted_atom' yes
'_chem_comp_assembly.seq_id' 'chem_comp_assembly' yes
'_pdbx_poly_seq_scheme.seq_id' 'pdbx_poly_seq_scheme' yes
'_atom.seq_id' 'atom' yes
'_atom.pdb_seq_id' 'atom' yes
'_angle.seq_id_1' 'angle' yes
'_angle.seq_id_2' 'angle' yes
'_angle.seq_id_3' 'angle' yes
'_torsion_angle.seq_id_1' 'torsion_angle' yes
'_torsion_angle.seq_id_2' 'torsion_angle' yes
'_torsion_angle.seq_id_3' 'torsion_angle' yes
'_torsion_angle.seq_id_4' 'torsion_angle' yes
'_assembly_segment.seq_id' 'assembly_segment' yes
'_author_annotation.seq_id' 'author_annotation' yes
'_author_annotation.seq_id_start' 'author_annotation' yes
'_author_annotation.seq_id_end' 'author_annotation' yes
'_entity_chimera_segment.seq_id_begin' 'entity_chimera_segment' yes
'_entity_chimera_segment.seq_id_end' 'entity_chimera_segment' yes
'_sample_component_atom_isotope.seq_id' 'sample_component_atom_isotope' yes
'_atom_chem_shift.seq_id' 'atom_chem_shift' yes
'_theoretical_chem_shift.seq_id' 'theoretical_chem_shift' yes
'_coupling_constant.seq_id_1' 'coupling_constant' yes
'_coupling_constant.seq_id_2' 'coupling_constant' yes
'_theoretical_coupling_constant.seq_id_1' 'theoretical_coupling_constant' yes
'_theoretical_coupling_constant.seq_id_2' 'theoretical_coupling_constant' yes
'_peak_row_format.seq_id_1' 'peak_row_format' yes
'_peak_row_format.seq_id_2' 'peak_row_format' yes
'_peak_row_format.seq_id_3' 'peak_row_format' yes
'_peak_row_format.seq_id_4' 'peak_row_format' yes
'_peak_row_format.seq_id_5' 'peak_row_format' yes
'_isotope_effect.seq_id' 'isotope_effect' yes
'_isotope_label_pattern.seq_id' 'isotope_label_pattern' yes
'_chem_shift_perturbation.seq_id' 'chem_shift_perturbation' yes
'_cs_anisotropy.seq_id' 'cs_anisotropy' yes
'_rdc.seq_id_1' 'rdc' yes
'_rdc.seq_id_2' 'rdc' yes
'_dipolar_coupling.seq_id_1' 'dipolar_coupling' yes
'_dipolar_coupling.seq_id_2' 'dipolar_coupling' yes
'_spectral_density.seq_id' 'spectral_density' yes
'_other_data.seq_id' 'other_data' yes
'_chemical_rate.seq_id' 'chemical_rate' yes
'_h_exch_rate.seq_id' 'h_exch_rate' yes
'_h_exch_protection_factor.seq_id' 'h_exch_protection_factor' yes
'_homonucl_noe.seq_id_1' 'homonucl_noe' yes
'_homonucl_noe.seq_id_2' 'homonucl_noe' yes
'_heteronucl_noe.seq_id_1' 'heteronucl_noe' yes
'_heteronucl_noe.seq_id_2' 'heteronucl_noe' yes
'_theoretical_heteronucl_noe.seq_id_1' 'theoretical_heteronucl_noe' yes
'_theoretical_heteronucl_noe.seq_id_2' 'theoretical_heteronucl_noe' yes
'_t1.seq_id' 't1' yes
'_theoretical_t1.seq_id' 'theoretical_t1' yes
'_t1rho.seq_id' 't1rho' yes
'_t2.seq_id' 't2' yes
'_theoretical_t2.seq_id' 'theoretical_t2' yes
'_auto_relaxation.seq_id' 'auto_relaxation' yes
'_theoretical_auto_relaxation.seq_id' 'theoretical_auto_relaxation' yes
'_dipole_dipole_relax.seq_id_1' 'dipole_dipole_relax' yes
'_dipole_dipole_relax.seq_id_2' 'dipole_dipole_relax' yes
'_cross_correlation_dd.dipole_1_seq_id_1' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_1_seq_id_2' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_2_seq_id_1' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_2_seq_id_2' 'cross_correlation_dd' yes
'_theoretical_cross_correlation_dd.dipole_1_seq_id_1' 'theoretical_cross_correlation_dd' yes
'_theoretical_cross_correlation_dd.dipole_1_seq_id_2' 'theoretical_cross_correlation_dd' yes
'_theoretical_cross_correlation_dd.dipole_2_seq_id_1' 'theoretical_cross_correlation_dd' yes
'_theoretical_cross_correlation_dd.dipole_2_seq_id_2' 'theoretical_cross_correlation_dd' yes
'_cross_correlation_d_csa.dipole_seq_id_1' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.dipole_seq_id_2' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.csa_seq_id_1' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.csa_seq_id_2' 'cross_correlation_d_csa' yes
'_order_param.seq_id' 'order_param' yes
'_ph_titr_result.atm_obs_seq_id' 'ph_titr_result' yes
'_ph_titr_result.atm_titr_seq_id' 'ph_titr_result' yes
'_d_h_fractionation_factor.seq_id' 'd_h_fractionation_factor' yes
'_binding_result.atm_obs_seq_id' 'binding_result' yes
'_deduced_secd_struct_exptl.seq_id_start' 'deduced_secd_struct_exptl' yes
'_deduced_secd_struct_exptl.seq_id_end' 'deduced_secd_struct_exptl' yes
'_deduced_secd_struct_feature.seq_id' 'deduced_secd_struct_feature' yes
'_deduced_h_bond.heavy_atom_seq_id_1' 'deduced_h_bond' yes
'_deduced_h_bond.heavy_atom_seq_id_2' 'deduced_h_bond' yes
'_deduced_h_bond.h_atom_seq_id' 'deduced_h_bond' yes
'_terminal_residue.seq_id' 'terminal_residue' yes
'_rep_conf.seq_id' 'rep_conf' yes
'_angular_order_param.seq_id' 'angular_order_param' yes
'_tertiary_struct.seq_id' 'tertiary_struct' yes
'_secondary_struct.seq_id_start' 'secondary_struct' yes
'_secondary_struct.seq_id_end' 'secondary_struct' yes
'_bond_annotation.seq_id_1' 'bond_annotation' yes
'_bond_annotation.seq_id_2' 'bond_annotation' yes
'_structure_interaction.seq_id_1' 'structure_interaction' yes
'_structure_interaction.seq_id_2' 'structure_interaction' yes
'_other_struct_feature.seq_id' 'other_struct_feature' yes
'_tensor.seq_id' 'tensor' yes
'_interatomic_dist.seq_id_1' 'interatomic_dist' yes
'_interatomic_dist.seq_id_2' 'interatomic_dist' yes
'_gen_dist_constraint.seq_id_1' 'gen_dist_constraint' yes
'_gen_dist_constraint.seq_id_2' 'gen_dist_constraint' yes
'_dist_constraint.seq_id' 'dist_constraint' yes
'_floating_chirality.seq_id_1' 'floating_chirality' yes
'_floating_chirality.seq_id_2' 'floating_chirality' yes
'_torsion_angle_constraint.seq_id_1' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.seq_id_2' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.seq_id_3' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.seq_id_4' 'torsion_angle_constraint' yes
# BMRB/XML: Fatal error while DDL mapping
# '_rdc_constraint_list.tensor_seq_id' 'rdc_constraint_list' yes
'_rdc_constraint.seq_id_1' 'rdc_constraint' yes
'_rdc_constraint.seq_id_2' 'rdc_constraint' yes
'_j_three_bond_constraint.seq_id_1' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.seq_id_2' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.seq_id_3' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.seq_id_4' 'j_three_bond_constraint' yes
'_ca_cb_constraint.seq_id_1' 'ca_cb_constraint' yes
'_ca_cb_constraint.seq_id_2' 'ca_cb_constraint' yes
'_ca_cb_constraint.seq_id_3' 'ca_cb_constraint' yes
'_ca_cb_constraint.seq_id_4' 'ca_cb_constraint' yes
'_ca_cb_constraint.seq_id_5' 'ca_cb_constraint' yes
'_h_chem_shift_constraint.seq_id' 'h_chem_shift_constraint' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_bond.seq_id_1' '_entity_poly_seq.num'
'_bond.seq_id_2' '_entity_poly_seq.num'
'_entity_deleted_atom.seq_id' '_entity_poly_seq.num'
'_chem_comp_assembly.seq_id' '_entity_poly_seq.num'
'_pdbx_poly_seq_scheme.seq_id' '_entity_poly_seq.num'
'_atom.seq_id' '_entity_poly_seq.num'
'_atom.pdb_seq_id' '_entity_poly_seq.num'
'_angle.seq_id_1' '_entity_poly_seq.num'
'_angle.seq_id_2' '_entity_poly_seq.num'
'_angle.seq_id_3' '_entity_poly_seq.num'
'_torsion_angle.seq_id_1' '_entity_poly_seq.num'
'_torsion_angle.seq_id_2' '_entity_poly_seq.num'
'_torsion_angle.seq_id_3' '_entity_poly_seq.num'
'_torsion_angle.seq_id_4' '_entity_poly_seq.num'
'_assembly_segment.seq_id' '_entity_poly_seq.num'
'_author_annotation.seq_id' '_entity_poly_seq.num'
'_author_annotation.seq_id_start' '_entity_poly_seq.num'
'_author_annotation.seq_id_end' '_entity_poly_seq.num'
'_entity_chimera_segment.seq_id_begin' '_entity_poly_seq.num'
'_entity_chimera_segment.seq_id_end' '_entity_poly_seq.num'
'_sample_component_atom_isotope.seq_id' '_entity_poly_seq.num'
'_atom_chem_shift.seq_id' '_entity_poly_seq.num'
'_theoretical_chem_shift.seq_id' '_entity_poly_seq.num'
'_coupling_constant.seq_id_1' '_entity_poly_seq.num'
'_coupling_constant.seq_id_2' '_entity_poly_seq.num'
'_theoretical_coupling_constant.seq_id_1' '_entity_poly_seq.num'
'_theoretical_coupling_constant.seq_id_2' '_entity_poly_seq.num'
'_peak_row_format.seq_id_1' '_entity_poly_seq.num'
'_peak_row_format.seq_id_2' '_entity_poly_seq.num'
'_peak_row_format.seq_id_3' '_entity_poly_seq.num'
'_peak_row_format.seq_id_4' '_entity_poly_seq.num'
'_peak_row_format.seq_id_5' '_entity_poly_seq.num'
'_isotope_effect.seq_id' '_entity_poly_seq.num'
'_isotope_label_pattern.seq_id' '_entity_poly_seq.num'
'_chem_shift_perturbation.seq_id' '_entity_poly_seq.num'
'_cs_anisotropy.seq_id' '_entity_poly_seq.num'
'_rdc.seq_id_1' '_entity_poly_seq.num'
'_rdc.seq_id_2' '_entity_poly_seq.num'
'_dipolar_coupling.seq_id_1' '_entity_poly_seq.num'
'_dipolar_coupling.seq_id_2' '_entity_poly_seq.num'
'_spectral_density.seq_id' '_entity_poly_seq.num'
'_other_data.seq_id' '_entity_poly_seq.num'
'_chemical_rate.seq_id' '_entity_poly_seq.num'
'_h_exch_rate.seq_id' '_entity_poly_seq.num'
'_h_exch_protection_factor.seq_id' '_entity_poly_seq.num'
'_homonucl_noe.seq_id_1' '_entity_poly_seq.num'
'_homonucl_noe.seq_id_2' '_entity_poly_seq.num'
'_heteronucl_noe.seq_id_1' '_entity_poly_seq.num'
'_heteronucl_noe.seq_id_2' '_entity_poly_seq.num'
'_theoretical_heteronucl_noe.seq_id_1' '_entity_poly_seq.num'
'_theoretical_heteronucl_noe.seq_id_2' '_entity_poly_seq.num'
'_t1.seq_id' '_entity_poly_seq.num'
'_theoretical_t1.seq_id' '_entity_poly_seq.num'
'_t1rho.seq_id' '_entity_poly_seq.num'
'_t2.seq_id' '_entity_poly_seq.num'
'_theoretical_t2.seq_id' '_entity_poly_seq.num'
'_auto_relaxation.seq_id' '_entity_poly_seq.num'
'_theoretical_auto_relaxation.seq_id' '_entity_poly_seq.num'
'_dipole_dipole_relax.seq_id_1' '_entity_poly_seq.num'
'_dipole_dipole_relax.seq_id_2' '_entity_poly_seq.num'
'_cross_correlation_dd.dipole_1_seq_id_1' '_entity_poly_seq.num'
'_cross_correlation_dd.dipole_1_seq_id_2' '_entity_poly_seq.num'
'_cross_correlation_dd.dipole_2_seq_id_1' '_entity_poly_seq.num'
'_cross_correlation_dd.dipole_2_seq_id_2' '_entity_poly_seq.num'
'_theoretical_cross_correlation_dd.dipole_1_seq_id_1' '_entity_poly_seq.num'
'_theoretical_cross_correlation_dd.dipole_1_seq_id_2' '_entity_poly_seq.num'
'_theoretical_cross_correlation_dd.dipole_2_seq_id_1' '_entity_poly_seq.num'
'_theoretical_cross_correlation_dd.dipole_2_seq_id_2' '_entity_poly_seq.num'
'_cross_correlation_d_csa.dipole_seq_id_1' '_entity_poly_seq.num'
'_cross_correlation_d_csa.dipole_seq_id_2' '_entity_poly_seq.num'
'_cross_correlation_d_csa.csa_seq_id_1' '_entity_poly_seq.num'
'_cross_correlation_d_csa.csa_seq_id_2' '_entity_poly_seq.num'
'_order_param.seq_id' '_entity_poly_seq.num'
'_ph_titr_result.atm_obs_seq_id' '_entity_poly_seq.num'
'_ph_titr_result.atm_titr_seq_id' '_entity_poly_seq.num'
'_d_h_fractionation_factor.seq_id' '_entity_poly_seq.num'
'_binding_result.atm_obs_seq_id' '_entity_poly_seq.num'
'_deduced_secd_struct_exptl.seq_id_start' '_entity_poly_seq.num'
'_deduced_secd_struct_exptl.seq_id_end' '_entity_poly_seq.num'
'_deduced_secd_struct_feature.seq_id' '_entity_poly_seq.num'
'_deduced_h_bond.heavy_atom_seq_id_1' '_entity_poly_seq.num'
'_deduced_h_bond.heavy_atom_seq_id_2' '_entity_poly_seq.num'
'_deduced_h_bond.h_atom_seq_id' '_entity_poly_seq.num'
'_terminal_residue.seq_id' '_entity_poly_seq.num'
'_rep_conf.seq_id' '_entity_poly_seq.num'
'_angular_order_param.seq_id' '_entity_poly_seq.num'
'_tertiary_struct.seq_id' '_entity_poly_seq.num'
'_secondary_struct.seq_id_start' '_entity_poly_seq.num'
'_secondary_struct.seq_id_end' '_entity_poly_seq.num'
'_bond_annotation.seq_id_1' '_entity_poly_seq.num'
'_bond_annotation.seq_id_2' '_entity_poly_seq.num'
'_structure_interaction.seq_id_1' '_entity_poly_seq.num'
'_structure_interaction.seq_id_2' '_entity_poly_seq.num'
'_other_struct_feature.seq_id' '_entity_poly_seq.num'
'_tensor.seq_id' '_entity_poly_seq.num'
'_interatomic_dist.seq_id_1' '_entity_poly_seq.num'
'_interatomic_dist.seq_id_2' '_entity_poly_seq.num'
'_gen_dist_constraint.seq_id_1' '_entity_poly_seq.num'
'_gen_dist_constraint.seq_id_2' '_entity_poly_seq.num'
'_dist_constraint.seq_id' '_entity_poly_seq.num'
'_floating_chirality.seq_id_1' '_entity_poly_seq.num'
'_floating_chirality.seq_id_2' '_entity_poly_seq.num'
'_torsion_angle_constraint.seq_id_1' '_entity_poly_seq.num'
'_torsion_angle_constraint.seq_id_2' '_entity_poly_seq.num'
'_torsion_angle_constraint.seq_id_3' '_entity_poly_seq.num'
'_torsion_angle_constraint.seq_id_4' '_entity_poly_seq.num'
# BMRB/XML: Fatal error while DDL mapping
# '_rdc_constraint_list.tensor_seq_id' '_entity_poly_seq.num'
'_rdc_constraint.seq_id_1' '_entity_poly_seq.num'
'_rdc_constraint.seq_id_2' '_entity_poly_seq.num'
'_j_three_bond_constraint.seq_id_1' '_entity_poly_seq.num'
'_j_three_bond_constraint.seq_id_2' '_entity_poly_seq.num'
'_j_three_bond_constraint.seq_id_3' '_entity_poly_seq.num'
'_j_three_bond_constraint.seq_id_4' '_entity_poly_seq.num'
'_ca_cb_constraint.seq_id_1' '_entity_poly_seq.num'
'_ca_cb_constraint.seq_id_2' '_entity_poly_seq.num'
'_ca_cb_constraint.seq_id_3' '_entity_poly_seq.num'
'_ca_cb_constraint.seq_id_4' '_entity_poly_seq.num'
'_ca_cb_constraint.seq_id_5' '_entity_poly_seq.num'
'_h_chem_shift_constraint.seq_id' '_entity_poly_seq.num'
stop_
_item_type.code 'int'
save_
save__entity_poly_seq.comp_index_id
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_entity_poly_seq.comp_index_id'
_item.category_id 'entity_poly_seq'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__entity_poly_seq.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity_poly_seq.entry_id'
_item.category_id 'entity_poly_seq'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__entity_poly_seq.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_entity_poly_seq.entity_id'
_item.category_id 'entity_poly_seq'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_entity_chimera_segment
_category.description
;
Items in the entity_chimera_segment category describe the beginning and ending points of the two segments of a biopolymer that form the hybrid biopolymer.
;
_category.id 'entity_chimera_segment'
_category.mandatory_code yes
loop_
_category_key.name
'_entity_chimera_segment.id'
'_entity_chimera_segment.entry_id'
'_entity_chimera_segment.entity_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entity'
stop_
save_
save__entity_chimera_segment.id
_item_description.description
;
The value of '_Entity_chimera_segment.ID' must uniquely identify a record
in the Entity_fragment list.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_entity_chimera_segment.id' 'entity_chimera_segment' yes
'_entity_db_link.chimera_segment_id' 'entity_db_link' yes
'_entity_natural_src.entity_chimera_segment_id' 'entity_natural_src' yes
'_natural_source_db.entity_chimera_segment_id' 'natural_source_db' yes
'_entity_experimental_src.entity_chimera_segment_id' 'entity_experimental_src' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_entity_db_link.chimera_segment_id' '_entity_chimera_segment.id'
'_entity_natural_src.entity_chimera_segment_id' '_entity_chimera_segment.id'
'_natural_source_db.entity_chimera_segment_id' '_entity_chimera_segment.id'
'_entity_experimental_src.entity_chimera_segment_id' '_entity_chimera_segment.id'
stop_
_item_type.code 'int'
loop_
_item_examples.case
;
1
;
stop_
save_
save__entity_chimera_segment.comp_index_id_begin
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_entity_chimera_segment.comp_index_id_begin'
_item.category_id 'entity_chimera_segment'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__entity_chimera_segment.comp_index_id_end
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_entity_chimera_segment.comp_index_id_end'
_item.category_id 'entity_chimera_segment'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__entity_chimera_segment.seq_id_begin
_item_description.description
;
Pointer to '_Entity_poly_seq.Num'
;
_item.name '_entity_chimera_segment.seq_id_begin'
_item.category_id 'entity_chimera_segment'
_item.mandatory_code yes
_item_type.code 'int'
loop_
_item_examples.case
;
25
;
stop_
save_
save__entity_chimera_segment.seq_id_end
_item_description.description
;
Pointer to '_Entity_poly_seq.Num'
;
_item.name '_entity_chimera_segment.seq_id_end'
_item.category_id 'entity_chimera_segment'
_item.mandatory_code yes
_item_type.code 'int'
loop_
_item_examples.case
;
78
;
stop_
save_
save__entity_chimera_segment.details
_item_description.description
;
Text providing additional information about the fragment from the molecular
entity.
;
_item.name '_entity_chimera_segment.details'
_item.category_id 'entity_chimera_segment'
_item.mandatory_code no
_item_type.code 'text'
save_
save__entity_chimera_segment.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity_chimera_segment.entry_id'
_item.category_id 'entity_chimera_segment'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__entity_chimera_segment.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_entity_chimera_segment.entity_id'
_item.category_id 'entity_chimera_segment'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_entity_comp_index_alt
_category.description
;
Items in the entity_comp_index_alt category define an alternate residue numbering scheme for the an entity.
;
_category.id 'entity_comp_index_alt'
_category.mandatory_code yes
loop_
_category_key.name
'_entity_comp_index_alt.entity_comp_index_id'
'_entity_comp_index_alt.comp_id'
'_entity_comp_index_alt.entry_id'
'_entity_comp_index_alt.entity_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entity'
stop_
save_
save__entity_comp_index_alt.entity_comp_index_id
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_entity_comp_index_alt.entity_comp_index_id'
_item.category_id 'entity_comp_index_alt'
_item.mandatory_code yes
_item_type.code 'int'
loop_
_item_examples.case
;
35
;
stop_
save_
save__entity_comp_index_alt.auth_seq_id
_item_description.description
;
Author supplied sequence number identifying the position in the sequence
of the polymer where the alternate residue or chemical compound is located.
;
_item.name '_entity_comp_index_alt.auth_seq_id'
_item.category_id 'entity_comp_index_alt'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
27
;
stop_
save_
save__entity_comp_index_alt.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_entity_comp_index_alt.comp_id'
_item.category_id 'entity_comp_index_alt'
_item.mandatory_code yes
_item_type.code 'code'
loop_
_item_examples.case
;
ALA
;
stop_
save_
save__entity_comp_index_alt.comp_label
_item_description.description
;
Pointer to a saveframe of the category chem_comp.
;
_item.name '_entity_comp_index_alt.comp_label'
_item.category_id 'entity_comp_index_alt'
_item.mandatory_code yes
_item_type.code 'framecode'
loop_
_item_examples.case
;
ALA
;
stop_
save_
save__entity_comp_index_alt.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity_comp_index_alt.entry_id'
_item.category_id 'entity_comp_index_alt'
_item.mandatory_code yes
_item_type.code 'code'
loop_
_item_examples.case
;
6021
;
stop_
save_
save__entity_comp_index_alt.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_entity_comp_index_alt.entity_id'
_item.category_id 'entity_comp_index_alt'
_item.mandatory_code yes
_item_type.code 'int'
loop_
_item_examples.case
;
1
;
stop_
save_
save_entity_atom_list
_category.description
;
NOT AVAILABLE
;
_category.id 'entity_atom_list'
_category.mandatory_code yes
loop_
_category_key.name
'_entity_atom_list.id'
'_entity_atom_list.entry_id'
'_entity_atom_list.entity_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entity'
stop_
save_
save__entity_atom_list.id
_item_description.description
;
The value of '_Entity_atom_list.ID' must uniquely identify an atom in the
entity.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_entity_atom_list.id' 'entity_atom_list' yes
'_entity_deleted_atom.entity_atom_list_id' 'entity_deleted_atom' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_entity_deleted_atom.entity_atom_list_id' '_entity_atom_list.id'
stop_
_item_type.code 'int'
save_
save__entity_atom_list.comp_index_id
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_entity_atom_list.comp_index_id'
_item.category_id 'entity_atom_list'
_item.mandatory_code no
_item_type.code 'int'
save_
save__entity_atom_list.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_entity_atom_list.comp_id'
_item.category_id 'entity_atom_list'
_item.mandatory_code no
_item_type.code 'code'
save_
save__entity_atom_list.atom_id
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_entity_atom_list.atom_id'
_item.category_id 'entity_atom_list'
_item.mandatory_code no
_item_type.code 'atcode'
save_
save__entity_atom_list.sf_id
_item_description.description
;
Pointer to '_Entity.Sf_ID'
;
_item.name '_entity_atom_list.sf_id'
_item.category_id 'entity_atom_list'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__entity_atom_list.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity_atom_list.entry_id'
_item.category_id 'entity_atom_list'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__entity_atom_list.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_entity_atom_list.entity_id'
_item.category_id 'entity_atom_list'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_entity_chem_comp_deleted_atom
_category.description
;
NOT AVAILABLE
;
_category.id 'entity_chem_comp_deleted_atom'
_category.mandatory_code yes
loop_
_category_key.name
'_entity_chem_comp_deleted_atom.comp_index_id'
'_entity_chem_comp_deleted_atom.atom_id'
'_entity_chem_comp_deleted_atom.entry_id'
'_entity_chem_comp_deleted_atom.entity_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entity'
stop_
save_
save__entity_chem_comp_deleted_atom.comp_index_id
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_entity_chem_comp_deleted_atom.comp_index_id'
_item.category_id 'entity_chem_comp_deleted_atom'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__entity_chem_comp_deleted_atom.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_entity_chem_comp_deleted_atom.comp_id'
_item.category_id 'entity_chem_comp_deleted_atom'
_item.mandatory_code no
_item_type.code 'code'
save_
save__entity_chem_comp_deleted_atom.atom_id
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_entity_chem_comp_deleted_atom.atom_id'
_item.category_id 'entity_chem_comp_deleted_atom'
_item.mandatory_code yes
_item_type.code 'atcode'
save_
save__entity_chem_comp_deleted_atom.sf_id
_item_description.description
;
Pointer to '_Entity.Sf_ID'
;
_item.name '_entity_chem_comp_deleted_atom.sf_id'
_item.category_id 'entity_chem_comp_deleted_atom'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__entity_chem_comp_deleted_atom.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity_chem_comp_deleted_atom.entry_id'
_item.category_id 'entity_chem_comp_deleted_atom'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__entity_chem_comp_deleted_atom.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_entity_chem_comp_deleted_atom.entity_id'
_item.category_id 'entity_chem_comp_deleted_atom'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_entity_bond
_category.description
;
Items in the entity_bond category define chemical bonds that are unique to the entity.
;
_category.id 'entity_bond'
_category.mandatory_code yes
loop_
_category_key.name
'_entity_bond.id'
'_entity_bond.entry_id'
'_entity_bond.entity_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entity'
stop_
save_
save__entity_bond.id
_item_description.description
;
The value of _Entity_bond.id must uniquely identify a record in the Entity_bond
list.
;
_item.name '_entity_bond.id'
_item.category_id 'entity_bond'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__entity_bond.type
_item_description.description
;
A common chemical bond descriptive name.
;
_item.name '_entity_bond.type'
_item.category_id 'entity_bond'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
amide ?
covalent ?
directed ?
disulfide ?
ester ?
ether ?
hydrogen ?
'metal coordination' ?
peptide ?
thioether ?
oxime ?
thioester ?
phosphoester ?
phosphodiester ?
diselenide ?
na ?
stop_
save_
save__entity_bond.value_order
_item_description.description
;
The value that should be taken as the target for the chemical bond associated
with the specified atoms expressed as a bond order.
;
_item.name '_entity_bond.value_order'
_item.category_id 'entity_bond'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag yes
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
sing 'single bond'
doub 'double bond'
trip 'triple bond'
quad 'quadruple bond'
arom 'aromatic bond'
poly 'polymeric bond'
delo 'delocalized double bond'
pi 'pi bond'
directed 'N ->O'
stop_
save_
save__entity_bond.comp_index_id_1
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_entity_bond.comp_index_id_1'
_item.category_id 'entity_bond'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__entity_bond.comp_id_1
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_entity_bond.comp_id_1'
_item.category_id 'entity_bond'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__entity_bond.atom_id_1
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_entity_bond.atom_id_1'
_item.category_id 'entity_bond'
_item.mandatory_code yes
_item_type.code 'atcode'
save_
save__entity_bond.comp_index_id_2
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_entity_bond.comp_index_id_2'
_item.category_id 'entity_bond'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__entity_bond.comp_id_2
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_entity_bond.comp_id_2'
_item.category_id 'entity_bond'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__entity_bond.atom_id_2
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_entity_bond.atom_id_2'
_item.category_id 'entity_bond'
_item.mandatory_code yes
_item_type.code 'atcode'
save_
save__entity_bond.details
_item_description.description
;
A text description of the bond.
;
_item.name '_entity_bond.details'
_item.category_id 'entity_bond'
_item.mandatory_code no
_item_type.code 'text'
save_
save__entity_bond.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity_bond.entry_id'
_item.category_id 'entity_bond'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__entity_bond.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_entity_bond.entity_id'
_item.category_id 'entity_bond'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_entity_citation
_category.description
;
Items in the entity_citation category provide pointers to citations save frames where citations that describe the entity are defined.
;
_category.id 'entity_citation'
_category.mandatory_code yes
loop_
_category_key.name
'_entity_citation.citation_id'
'_entity_citation.entry_id'
'_entity_citation.entity_id'
stop_
loop_
_category_group.id
'inclusive_group'
'entity'
stop_
save_
save__entity_citation.citation_id
_item_description.description
;
Pointer to '_Citation.ID'
;
_item.name '_entity_citation.citation_id'
_item.category_id 'entity_citation'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__entity_citation.citation_label
_item_description.description
;
Pointer to a saveframe of the category citation.
;
_item.name '_entity_citation.citation_label'
_item.category_id 'entity_citation'
_item.mandatory_code yes
_item_type.code 'framecode'
loop_
_item_examples.case
;
citation 1
;
stop_
save_
save__entity_citation.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity_citation.entry_id'
_item.category_id 'entity_citation'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__entity_citation.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_entity_citation.entity_id'
_item.category_id 'entity_citation'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_entity_natural_src_list
_category.description
;
Items in the entity_natural_src_list category define an entity natural source save frame.
;
_category.id 'entity_natural_src_list'
_category.mandatory_code yes
loop_
_category_key.name
'_entity_natural_src_list.entry_id'
'_entity_natural_src_list.id'
stop_
loop_
_category_group.id
'inclusive_group'
'natural_source'
stop_
save_
save__entity_natural_src_list.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_entity_natural_src_list.sf_category'
_item.category_id 'entity_natural_src_list'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__entity_natural_src_list.sf_framecode
_item_description.description
;
Framecode for the save frame where the natural sources for each entity
are listed.
;
_item.name '_entity_natural_src_list.sf_framecode'
_item.category_id 'entity_natural_src_list'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__entity_natural_src_list.entry_id
_item_description.description
;
Pointer to '_Entry.ID'.
;
_item.name '_entity_natural_src_list.entry_id'
_item.category_id 'entity_natural_src_list'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__entity_natural_src_list.id
_item_description.description
;
An integer value that is the unique identifier for saveframes of the type
'natural_source'.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_entity_natural_src_list.id' 'entity_natural_src_list' yes
'_entity_natural_src.entity_natural_src_list_id' 'entity_natural_src' yes
'_natural_source_db.entity_natural_src_list_id' 'natural_source_db' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_entity_natural_src.entity_natural_src_list_id' '_entity_natural_src_list.id'
'_natural_source_db.entity_natural_src_list_id' '_entity_natural_src_list.id'
stop_
_item_type.code 'int'
save_
save_entity_natural_src
_category.description
;
Items in the entity_natural_src category describe the organism, virus, or other naturally occurring object that is the original source for a molecular entity or a major portion of a molecular entity.
;
_category.id 'entity_natural_src'
_category.mandatory_code yes
loop_
_category_key.name
'_entity_natural_src.id'
'_entity_natural_src.entry_id'
'_entity_natural_src.entity_natural_src_list_id'
stop_
loop_
_category_group.id
'inclusive_group'
'natural_source'
stop_
save_
save__entity_natural_src.id
_item_description.description
;
An integer value that uniquely identifies the natural source provided.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_entity_natural_src.id' 'entity_natural_src' yes
'_natural_source_db.entity_natural_src_id' 'natural_source_db' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_natural_source_db.entity_natural_src_id' '_entity_natural_src.id'
stop_
_item_type.code 'int'
save_
save__entity_natural_src.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_entity_natural_src.entity_id'
_item.category_id 'entity_natural_src'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__entity_natural_src.entity_label
_item_description.description
;
Pointer to a saveframe of the category 'entity.' This is the label assigned
to the molecular entity by the author when completing the molecular entity
portion of the deposition.
;
_item.name '_entity_natural_src.entity_label'
_item.category_id 'entity_natural_src'
_item.mandatory_code yes
_item_type.code 'framecode'
loop_
_item_examples.case
;
lysozyme
;
stop_
save_
save__entity_natural_src.entity_chimera_segment_id
_item_description.description
;
Pointer to '_Entity_chimera_segment.ID'
;
_item.name '_entity_natural_src.entity_chimera_segment_id'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
_item_type.code 'int'
save_
save__entity_natural_src.ncbi_taxonomy_id
_item_description.description
;
NCBI taxonomy ID
;
_item.name '_entity_natural_src.ncbi_taxonomy_id'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
9606
;
stop_
save_
save__entity_natural_src.type
_item_description.description
;
The general type of natural source for the entity or an indication if no
natural source or multiple natural sources.
;
_item.name '_entity_natural_src.type'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
_item_default.value 'organism'
loop_
_item_enumeration.value
_item_enumeration.detail
organism ?
virus ?
plasmid ?
cosmid ?
'multiple natural sources' ?
'no natural source' ?
'not applicable' ?
stop_
loop_
_item_examples.case
;
organism
;
stop_
save_
save__entity_natural_src.common
_item_description.description
;
The molecular entity or biopolymer is common to more than one natural source.
;
_item.name '_entity_natural_src.common'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
_item_type.code 'yes_no'
loop_
_item_enumeration.value
_item_enumeration.detail
yes ?
no ?
stop_
save_
save__entity_natural_src.organism_name_scientific
_item_description.description
;
Scientific name for the organism. Usually a combination of the genus and
species for the organism.
;
_item.name '_entity_natural_src.organism_name_scientific'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
# loop_
# _item_enumeration.value
# _item_enumeration.detail
#
# BMRB/XML: Eliminated the following enumerations.
# BMRB/XML: Replaced enumerations based on BMRB entries.
# 'Acanthamoeba castellanii' ?
# 'Acanthamoeba culbertsoni' ?
# 'Acholeplasma laidlawii' ?
# 'Achromobacter cycloclastes' ?
# 'Acidianus filamentous virus 1' ?
# 'Acidiphilium cryptum' ?
# 'Acinetobacter baumannii' ?
# 'Actinia equina' ?
# 'Actinomyces sp.' ?
# 'Actinoplanes teichomyceticus' ?
# 'Acutodesmus obliquus' ?
# 'Aedes aegypti' ?
# 'Aequorea aequorea' ?
# 'Aequorea victoria' ?
# 'Aeromonas hydrophila' ?
# 'Aeromonas sobria' ?
# 'Aeropyrum pernix' ?
# 'Aesculus hippocastanum' ?
# 'African swine fever virus' ?
# 'African swine fever virus BA71V' ?
# 'Agkistrodon piscivorus' ?
# 'Agrobacterium fabrum str. C58' ?
# 'Agrobacterium tumefaciens' ?
# 'Ajellomyces capsulatus' ?
# 'Ajellomyces dermatitidis' ?
# 'Alcaligenes faecalis' ?
# 'Alicyclobacillus acidocaldarius subsp. acidocaldarius' ?
# 'Aliivibrio fischeri' ?
# 'Allamanda oenotherifolia' ?
# 'Allochromatium vinosum' ?
# 'Alphacoronavirus' ?
# 'Alstonia scholaris' ?
# 'Alternaria alternata' ?
# 'Alvinella pompejana' ?
# 'Alytes obstetricans' ?
# 'Amaranthus caudatus' ?
# 'Amaranthus hypochondriacus' ?
# 'Ambrosia trifida' ?
# 'Amphitrite ornata' ?
# 'Anabaena sp.' ?
# 'Anabaena variabilis' ?
# 'Ananas comosus' ?
# 'Anaplasma phagocytophilum' ?
# 'Ancylostoma caninum' ?
# 'Andes virus' ?
# 'Androctonus australis' ?
# 'Androctonus mauritanicus' ?
# 'Anemonia sulcata' ?
# 'Angiococcus disciformis' ?
# 'Anguilla' ?
# 'Anguilla japonica' ?
# 'Anisakis simplex' ?
# 'Anoplius samariensis' ?
# 'Anterhynchium flavomarginatum micado' ?
# 'Antheraea polyphemus' ?
# 'Antheraea yamamai' ?
# 'Anthopleura elegantissima' ?
# 'Anthopleura xanthogrammica' ?
# 'Aphanizomenon flos-aquae' ?
# 'Aphonopelma' ?
# 'Apis mellifera' ?
# 'Aplysia californica' ?
# 'Aplysia limacina' ?
# 'Apomastus schlingeri' ?
# 'Aquifex aeolicus' ?
# 'Aquifex aeolicus VF5' ?
# 'Arabidopsis' ?
# 'Arabidopsis halleri' ?
# 'Arabidopsis thaliana' ?
# 'Arachis hypogaea' ?
# 'Araneae' ?
# 'Araneus diadematus' ?
# 'Araneus ventricosus' ?
# 'Archaeoglobus fulgidus' ?
# 'Arenicola marina' ?
# 'Argiope trifasciata' ?
# 'Armoracia rusticana' ?
# 'Artemisia vulgaris' ?
# 'Arthrobacter aurescens TC1' ?
# 'Arthroderma otae' ?
# 'Arthrospira maxima' ?
# 'Arthrospira platensis' ?
# 'Ascaris lumbricoides' ?
# 'Ascaris suum' ?
# 'Aspergillus amstelodami' ?
# 'Aspergillus flavus' ?
# 'Aspergillus fumigatus' ?
# 'Aspergillus giganteus' ?
# 'Aspergillus nidulans' ?
# 'Aspergillus niger' ?
# 'Aspergillus oryzae' ?
# 'Aspergillus parasiticus' ?
# 'Asterias rubens' ?
# 'Asteropus' ?
# 'Asticcacaulis excentricus' ?
# 'Atractaspis engaddensis' ?
# 'Atractaspis irregularis' ?
# 'Atractaspis microlepidota' ?
# 'Aurelia aurita' ?
# 'Avian myelocytomatosis virus' ?
# 'Azotobacter vinelandii' ?
# 'Babesia bovis' ?
# 'Babesia bovis T2Bo' ?
# 'Babesia canis' ?
# 'Babesia divergens' ?
# 'Bacillus' ?
# '[Bacillus] agaradhaerens' ?
# 'Bacillus amyloliquefaciens' ?
# 'Bacillus anthracis' ?
# 'Bacillus cereus' ?
# 'Bacillus circulans' ?
# 'Bacillus halodurans' ?
# 'Bacillus licheniformis' ?
# 'Bacillus phage Gamma' ?
# 'Bacillus phage phi29' ?
# 'Bacillus phage SPP1' ?
# '[Bacillus] schlegelii' ?
# 'Bacillus sp.' ?
# 'Bacillus sp. PS3' ?
# 'Bacillus subtilis' ?
# 'Bacillus subtilis subsp. spizizenii ATCC 6633' ?
# 'Bacillus subtilis subsp. subtilis' ?
# 'Bacillus subtilis subsp. subtilis str. 168' ?
# 'Bacillus thermoproteolyticus' ?
# 'Bacillus thuringiensis' ?
# 'Bacteroides fragilis' ?
# 'Bacteroides ovatus ATCC 8483' ?
# 'Bacteroides sp.' ?
# 'Bacteroides thetaiotaomicron' ?
# 'Bacteroides uniformis' ?
# 'Bacteroides vulgatus' ?
# 'Bacteroides vulgatus ATCC 8482' ?
# 'Barnavirus' ?
# 'Bartonella henselae' ?
# 'Bartonella henselae str. Houston-1' ?
# 'Bartonella sp. RR11755TX' ?
# 'Bdellovibrio bacteriovorus HD100' ?
# 'Bertholletia excelsa' ?
# 'Betula pendula' ?
# 'Bitis arietans' ?
# 'Bizionia argentinensis' ?
# 'Bizionia argentinensis JUB59' ?
# 'Blomia tropicalis' ?
# 'Bombina bombina' ?
# 'Bombina maxima' ?
# 'Bombina orientalis' ?
# 'Bombina variegata' ?
# 'Bombyx mori' ?
# 'Bordetella bronchiseptica' ?
# 'Bordetella parapertussis' ?
# 'Bordetella pertussis' ?
# 'Borrelia burgdorferi' ?
# 'Borrelia burgdorferi B31' ?
# 'Borrelia burgdorferi N40' ?
# 'Borrelia garinii PBr' ?
# 'Bos primigenius' ?
# 'Bos taurus' ?
# 'Bovine papillomavirus type 1' ?
# 'Bovine respiratory syncytial virus' ?
# 'Bovine viral diarrhea virus 1-CP7' ?
# 'Branchiostoma lanceolatum' ?
# 'Brassica napus' ?
# 'Brassica rapa' ?
# 'Brevibacillus brevis' ?
# 'Brevibacillus thermoruber' ?
# 'Brome mosaic virus' ?
# 'Bromovirus' ?
# 'Brucella melitensis' ?
# 'Brugia malayi' ?
# 'Bryum coronatum' ?
# 'Bungarus candidus' ?
# 'Bungarus fasciatus' ?
# 'Bungarus multicinctus' ?
# 'Burkholderia pseudomallei' ?
# 'Burkholderia pseudomallei 1710b' ?
# 'Burkholderia thailandensis' ?
# 'Burkholderia xenovorans' ?
# 'Burkholderia vietnamiensis' ?
# 'Caenorhabditis elegans' ?
# 'Candidatus Caldiarchaeum subterraneum' ?
# 'Callipepla' ?
# 'Calloselasma rhodostoma' ?
# 'Camelidae' ?
# 'Campylobacter jejuni' ?
# 'Canavalia ensiformis' ?
# 'Candida albicans' ?
# 'Candida glabrata' ?
# 'Canis lupus familiaris' ?
# 'Canis sp.' ?
# 'Carassius auratus' ?
# 'Carausius morosus' ?
# 'Carcinoscorpius rotundicauda' ?
# 'Carnobacterium maltaromaticum' ?
# 'Catharanthus roseus' ?
# 'Caulobacter crescentus CB15' ?
# 'Caulobacter segnis' ?
# 'Caulobacter sp. K31' ?
# 'Caulobacter vibrioides' ?
# 'Cavia porcellus' ?
# 'Cellulomonas fimi' ?
# 'Cellvibrio japonicus' ?
# 'Cenarchaeum symbiosum' ?
# 'Cenarchaeum symbiosum A' ?
# 'Centruroides exilicauda' ?
# 'Centruroides margaritatus' ?
# 'Centruroides noxius' ?
# 'Centruroides sculpturatus' ?
# 'Centruroides suffusus suffusus' ?
# 'Ceratocystis platani' ?
# 'Ceratocystis populicola' ?
# 'Cervus elaphus nelsoni' ?
# 'Chaerilus tricostatus' ?
# 'Chaetomium thermophilum' ?
# 'Chilobrachys guangxiensis' ?
# 'Chlamydia pneumoniae' ?
# 'Chlamydomonas reinhardtii' ?
# 'Chlorella virus' ?
# 'Chlorella vulgaris' ?
# 'Chlorobaculum tepidum' ?
# 'Chlorobium tepidum TLS' ?
# 'Choristoneura fumiferana' ?
# 'Chromobacterium violaceum' ?
# 'Chromobacterium violaceum ATCC 12472' ?
# 'Chryseobacterium proteolyticum' ?
# 'Chrysodeixis includens' ?
# 'Citrobacter freundii' ?
# 'Clitoria ternatea' ?
# 'Clostridium acetobutylicum' ?
# '[Clostridiu cellulolyticum' ?
# 'Clostridium histolyticum' ?
# '[Clostridiu leptum' ?
# 'Clostridium pasteurianum' ?
# 'Clostridium perfringens' ?
# '[Clostridiu symbiosum' ?
# 'Clostridium tetanomorphum' ?
# 'Clytia gregaria' ?
# 'Colwellia psychrerythraea' ?
# 'Comamonas testosteroni' ?
# 'Condylactis gigantea' ?
# 'Conus araneosus' ?
# 'Conus bullatus' ?
# 'Conus consors' ?
# 'Conus ermineus' ?
# 'Conus geographus' ?
# 'Conus imperialis' ?
# 'Conus inscriptus' ?
# 'Conus kinoshitai' ?
# 'Conus litteratus' ?
# 'Conus longurionis' ?
# 'Conus loroisii' ?
# 'Conus magus' ?
# 'Conus marmoreus' ?
# 'Cocos nucifera' ?
# 'Conus omaria' ?
# 'Conus pictus' ?
# 'Conus planorbis' ?
# 'Conus pulicarius' ?
# 'Conus purpurascens' ?
# 'Conus radiatus' ?
# 'Conus regius' ?
# 'Conus rolani' ?
# 'Conus stercusmuscarum' ?
# 'Conus striatus' ?
# 'Conus sulcatus' ?
# 'Conus textile' ?
# 'Conus tulipa' ?
# 'Conus ventricosus' ?
# 'Conus victoriae' ?
# 'Conus villepinii' ?
# 'Coprinopsis cinerea' ?
# 'Copris tripartitus' ?
# 'Coptotermes formosanus' ?
# 'Corynebacterium diphtheriae' ?
# 'Corynebacterium glutamicum' ?
# 'Coturnix coturnix' ?
# 'Coturnix japonica' ?
# 'Coxsackievirus B3' ?
# 'Crambe hispanica subsp. abyssinica' ?
# 'Crassostrea gigas' ?
# 'Cricetinae' ?
# 'Cricetulus griseus' ?
# 'Crimean-Congo hemorrhagic fever virus' ?
# 'Crithidia fasciculata' ?
# 'Crotalus durissus terrificus' ?
# 'Cucurbita maxima' ?
# 'Culex quinquefasciatus' ?
# 'Cupiennius salei' ?
# 'Cupriavidus metallidurans' ?
# 'Cupriavidus metallidurans CH34' ?
# 'Cyanothece sp. ATCC 51142' ?
# 'Cylindrotheca fusiformis' ?
# 'Cyprinus carpio' ?
# 'Cytophaga hutchinsonii' ?
# 'Danio rerio' ?
# 'Deinococcus radiodurans' ?
# 'Dendroaspis jamesoni kaimosae' ?
# 'Dendroaspis polylepis' ?
# 'Dendroaspis polylepis polylepis' ?
# 'Dengue virus' ?
# 'Dengue virus 2' ?
# 'Dermatophagoides farinae' ?
# 'Desulfitobacterium hafniense' ?
# 'Desulfovibrio desulfuricans' ?
# 'Desulfovibrio fructosivorans' ?
# 'Desulfovibrio gigas' ?
# 'Desulfovibrio vulgaris' ?
# 'Desulfovibrio vulgaris str. Hildenborough' ?
# 'Desulfuromonas acetoxidans' ?
# 'Dickeya dadantii' ?
# 'Dicksonia antarctica' ?
# 'Dicrocoelium dendriticum' ?
# 'Dictyostelium discoideum' ?
# 'Diguetia canities' ?
# 'Dilta' ?
# 'Dioscoreophyllum cumminsii' ?
# 'Dipetalogaster maximus' ?
# 'Diploptera punctata' ?
# 'Drosophila' ?
# 'Drosophila melanogaster' ?
# 'Drosophila virilis' ?
# 'Dryopteris crassirhizoma' ?
# 'Duck hepatitis B virus' ?
# 'Ebola virus sp.' ?
# 'Ecballium elaterium' ?
# 'Echinochloa crus-galli' ?
# 'Echinophyllia sp. SC22' ?
# 'Echinopsis pachanoi' ?
# 'Echis carinatus' ?
# 'Ehrlichia chaffeensis' ?
# 'Ehrlichia chaffeensis str. Arkansas' ?
# 'Eimeria tenella' ?
# 'Eledone moschata' ?
# 'Elephas maximus' ?
# 'Emericellopsis minima' ?
# 'Emericellopsis salmosynnemata' ?
# 'Encephalomyocarditis virus' ?
# 'Entamoeba histolytica' ?
# 'Enterobacter aerogenes' ?
# 'Enterobacteria phage f1' ?
# 'Enterobacteria phage G4' ?
# 'Enterobacteria phage HK022' ?
# 'Enterobacteria phage Ike' ?
# 'Enterobacteria phage lambda' ?
# 'Enterobacteria phage M13' ?
# 'Enterobacteria phage Mu' ?
# 'Enterobacteria phage P1' ?
# 'Enterobacteria phage P2' ?
# 'Enterobacteria phage P22' ?
# 'Enterobacteria phage T2' ?
# 'Enterobacteria phage T4' ?
# 'Enterobacteria phage T4 sensu lato' ?
# 'Enterobacteria phage T5' ?
# 'Enterobacteria phage T7' ?
# 'Enterococcus faecalis' ?
# 'Enterococcus faecium' ?
# 'Enterococcus hirae' ?
# 'Enterovirus B' ?
# 'Enterovirus C' ?
# 'Enterovirus E' ?
# 'Equine arteritis virus' ?
# 'Equine infectious anemia virus' ?
# 'Equus asinus' ?
# 'Equus caballus' ?
# 'Erwinia amylovora' ?
# 'Erwinia chrysanthemi' ?
# 'Erythrobacter litoralis HTCC2594' ?
# 'Escherichia' ?
# 'Escherichia coli' ?
# 'Escherichia coli BL21(DE3)' ?
# 'Escherichia coli K-12' ?
# 'Escherichia coli O157:H7' ?
# 'Esox lucius' ?
# 'Eubacterium rectale' ?
# 'Eucommia ulmoides' ?
# 'Euglena gracilis' ?
# 'Euplotes nobilii' ?
# 'Euplotes raikovi' ?
# 'Euprosthenops australis' ?
# 'Ebolavirus' ?
# 'Faba bean necrotic yellows virus' ?
# 'Fagopyrum esculentum' ?
# 'Feline calicivirus' ?
# 'Felis catus' ?
# 'Filamentous phage' ?
# 'Finegoldia magna' ?
# 'Finegoldia magna ATCC 29328' ?
# 'Foot-and-mouth disease virus' ?
# 'Fragaria x ananassa' ?
# 'Fusarium solani' ?
# 'Fuselloviridae' ?
# 'Gadus morhua' ?
# 'Galinsoga quadriradiata' ?
# 'Galleria mellonella' ?
# 'Gallus gallus' ?
# 'Gammaproteobacteria' ?
# 'Gammaretrovirus' ?
# 'Gastrophysa atrocyanea' ?
# 'Geobacillus kaustophilus' ?
# 'Geobacillus stearothermophilus' ?
# 'Geobacillus thermodenitrificans' ?
# 'Geobacter metallireducens' ?
# 'Geobacter sulfurreducens' ?
# 'Geolycosa sp. A267TDLS2-KZARNA' ?
# 'Giardia intestinalis' ?
# 'Giardia lamblia ATCC 50803' ?
# 'Ginkgo biloba' ?
# 'Ginglymostoma cirratum' ?
# 'Glandirana rugosa' ?
# 'Gloeobacter violaceus' ?
# 'Gloydius halys' ?
# 'Glycine max' ?
# 'Griffithsia' ?
# 'Guillardia theta' ?
# 'Gymnema sylvestre' ?
# 'Hadronyche versuta' ?
# 'Haemophilus ducreyi' ?
# 'Haemophilus influenzae' ?
# 'Haemopis marmorata' ?
# 'Hahella chejuensis' ?
# 'Haloarcula marismortui' ?
# 'Halobacterium salinarum' ?
# 'Halobacterium sp.' ?
# 'Halocynthia roretzi' ?
# 'Haloferax volcanii' ?
# 'Halorhodospira halophila' ?
# 'Haplopelma' ?
# 'Haplopelma hainanum' ?
# 'Haplopelma schmidti' ?
# 'Hediste diversicolor' ?
# 'Helianthus annuus' ?
# 'Helicobacter pylori' ?
# 'Helicobacter pylori 26695' ?
# 'Helicoverpa armigera' ?
# 'Heliopsis helianthoides var. scabra' ?
# 'Heliothis virescens' ?
# 'Helleborus purpurascens' ?
# 'Heloderma suspectum' ?
# 'Hemachatus haemachatus' ?
# 'Hemitriakis japanica' ?
# 'Hemitripterus americanus' ?
# 'Hepacivirus' ?
# 'Hepatitis A virus' ?
# 'Hepatitis B virus' ?
# 'Hepatitis C virus' ?
# 'Hepatitis C virus (isolate BK)' ?
# 'Hepatitis C virus (isolate Con1)' ?
# 'Hepatitis C virus isolate HC-J4' ?
# 'Hepatitis C virus subtype 1a' ?
# 'Hepatitis C virus subtype 1b' ?
# 'Hepatitis E virus' ?
# 'Hepatitis GB virus B' ?
# 'Heriaeus melloteei' ?
# 'Heterometrus spinifer' ?
# 'Heteropoda venatoria' ?
# 'Hevea brasiliensis' ?
# 'Hirsutella thompsonii' ?
# 'Hirudo medicinalis' ?
# 'HIV-1 M:B_HXB2R' ?
# 'HIV-1 M:C_ETH2220' ?
# 'Homarus americanus' ?
# 'Homo sapiens' ?
# 'Hordeum vulgare' ?
# 'Human herpesvirus 1' ?
# 'Human herpesvirus 4' ?
# 'Human herpesvirus 4 (strain B95-8)' ?
# 'Human herpesvirus 5' ?
# 'Human herpesvirus 8' ?
# 'Human immunodeficiency virus' ?
# 'Human immunodeficiency virus 1' ?
# 'Human immunodeficiency virus 2' ?
# 'Human immunodeficiency virus type 1 BH10' ?
# 'Human immunodeficiency virus type 2 (ISOLATE ROD)' ?
# 'Human papillomavirus' ?
# 'Human papillomavirus type 16' ?
# 'Human papillomavirus type 51' ?
# 'Human rhinovirus B14' ?
# 'Human spumaretrovirus' ?
# 'Human T-lymphotropic virus 1' ?
# 'Humicola insolens' ?
# 'Hyaloperonospora parasitica' ?
# 'Hyalophora cecropia' ?
# 'Hydra' ?
# 'Hydra vulgaris' ?
# 'Hydrogenobacter thermophilus' ?
# 'Hydrogenophilus thermoluteolus' ?
# 'Hyla annectans' ?
# 'Hyperthermus butylicus' ?
# 'Hypomyces chrysospermus' ?
# 'Hypsiboas albopunctatus' ?
# 'Hypsiboas punctatus' ?
# 'Icaria sp.' ?
# 'Infectious bursal disease virus' ?
# 'Influenza A virus' ?
# 'Influenza A virus (A/Puerto Rico/8/1934(H1N1))' ?
# 'Influenza A virus (A/Victoria/3/1975(H3N2))' ?
# 'Influenza A virus (A/WSN/1933(H1N1))' ?
# 'Influenza B virus (B/Lee/1940)' ?
# 'Influenzavirus A' ?
# 'Iostephane heterophylla' ?
# 'JC polyomavirus' ?
# 'Jannaschia sp. CCS1' ?
# 'Kassina senegalensis' ?
# 'Katsuwonus pelamis' ?
# 'Klebsiella oxytoca' ?
# 'Klebsiella pneumoniae' ?
# 'Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044' ?
# 'Kluyveromyces lactis' ?
# 'Kluyveromyces marxianus' ?
# 'Komagataella pastoris' ?
# 'Lachesana tarabaevi' ?
# 'Lactobacillus acidophilus' ?
# 'Lactobacillus acidophilus NCFM' ?
# 'Lactobacillus casei' ?
# 'Lactobacillus curvatus' ?
# 'Lactobacillus plantarum' ?
# 'Lactobacillus reuteri' ?
# 'Lactococcus lactis' ?
# 'Lactococcus lactis subsp. lactis' ?
# 'Lama glama' ?
# 'Lampetra tridentata' ?
# 'Langat virus' ?
# 'Lasioglossum laticeps' ?
# 'Lassa virus' ?
# 'Laticauda semifasciata' ?
# 'Latrodectus hesperus' ?
# 'Legionella pneumophila' ?
# 'Leishmania braziliensis' ?
# 'Leishmania donovani' ?
# 'Leishmania major' ?
# 'Leishmania major strain Friedlin' ?
# 'Leishmania mexicana' ?
# 'Leiurus quinquestriatus' ?
# 'Leiurus quinquestriatus hebraeus' ?
# 'Lens culinaris' ?
# 'Lentzea kentuckyensis' ?
# 'Lentivirus' ?
# 'Leptospira' ?
# 'Leptospira interrogans' ?
# 'Leptospira interrogans serovar Pomona' ?
# 'Lethocerus indicus' ?
# 'Leuconostoc gelidum' ?
# 'Limulus polyphemus' ?
# 'Liocheles australasiae' ?
# 'Liocheles waigiensis' ?
# 'Lissoclinum patella' ?
# 'Listeria innocua' ?
# 'Listeria monocytogenes' ?
# 'Litopenaeus setiferus' ?
# 'Litopenaeus vannamei' ?
# 'Litoria infrafrenata' ?
# 'Litoria genimaculata' ?
# 'Locusta migratoria' ?
# 'Lodderomyces elongisporus' ?
# 'Loligo vulgaris' ?
# 'Lophura nycthemera' ?
# 'Lucilia sericata' ?
# 'Lumbricus terrestris' ?
# 'Lupinus angustifolius' ?
# 'Lupinus luteus' ?
# 'Lychas mucronatus' ?
# 'Lycodichthys dearborni' ?
# 'Lyngbya majuscula' ?
# 'Lysobacter enzymogenes' ?
# 'Macaca mulatta' ?
# 'Macropus eugenii' ?
# 'Macrothele gigas' ?
# 'Magnaporthe oryzae' ?
# 'Maize chlorotic mottle virus' ?
# 'Mamestra brassicae' ?
# 'Mammalia' ?
# 'Manduca sexta' ?
# 'Marsupenaeus japonicus' ?
# 'Martes americana' ?
# 'Mason-Pfizer monkey virus' ?
# 'Measles virus' ?
# 'Medicago scutellata' ?
# 'Medicago truncatula' ?
# 'Megabalanus rosa' ?
# 'Megasphaera elsdenii' ?
# 'melanogaster group' ?
# 'Meleagris gallopavo' ?
# 'Meloidogyne hapla' ?
# 'Mengo virus' ?
# 'Mesobuthus' ?
# 'Mesobuthus eupeus' ?
# 'Mesobuthus martensii' ?
# 'Mesobuthus tamulus' ?
# 'Mesocricetus auratus' ?
# 'Mesorhizobium loti' ?
# 'Methanocaldococcus jannaschii' ?
# 'Methanocaldococcus jannaschii DSM 2661' ?
# 'Methanococcus maripaludis' ?
# 'Methanosarcina acetivorans' ?
# 'Methanosarcina mazei' ?
# 'Methanothermobacter thermautotrophicus' ?
# 'Methanothermobacter thermautotrophicus str. Delta H' ?
# 'Methanothermococcus thermolithotrophicus' ?
# 'Methylobacillus flagellatus' ?
# 'Methylococcus capsulatus' ?
# 'Methylophilus methylotrophus' ?
# 'Methylosinus trichosporium' ?
# 'Microbispora sp. 107891' ?
# 'Microbispora sp. ATCC PTA-5024' ?
# 'Microcystis aeruginosa' ?
# 'Microcystis viridis' ?
# 'Micromonospora echinospora' ?
# 'Mizuhopecten yessoensis' ?
# 'Moloney murine leukemia virus' ?
# 'Momordica charantia' ?
# 'Momordica cochinchinensis' ?
# 'Moniezia expansa' ?
# 'Moniliformopses' ?
# 'Monodelphis domestica' ?
# 'Morganella morganii' ?
# 'Moritella profunda' ?
# 'Morone chrysops' ?
# 'Morone chrysops x Morone saxatilis' ?
# 'Morone saxatilis' ?
# 'Murid herpesvirus 1' ?
# 'Murine endogenous retrovirus' ?
# 'Murine hepatitis virus' ?
# 'Murine hepatitis virus strain A59' ?
# 'Murine leukemia virus' ?
# 'Murine norovirus' ?
# 'Murine polyomavirus' ?
# 'Mus musculus' ?
# 'Mycobacterium abscessus' ?
# 'Mycobacterium bovis' ?
# 'Mycobacterium marinum ATCC BAA-535' ?
# 'Mycobacterium smegmatis' ?
# 'Mycobacterium tuberculosis' ?
# 'Mycobacterium tuberculosis H37Rv' ?
# 'Mycobacterium ulcerans' ?
# 'Mycoplasma genitalium' ?
# 'Mycoplasma genitalium G37' ?
# 'Mycoplasma pneumoniae' ?
# 'Myodes glareolus' ?
# 'Myoxocephalus scorpius' ?
# 'Mythimna separata' ?
# 'Mytilus galloprovincialis' ?
# 'Myxococcus xanthus' ?
# 'Myxoma virus' ?
# 'Naja atra' ?
# 'Naja kaouthia' ?
# 'Naja mossambica' ?
# 'Naja naja' ?
# 'Naja oxiana' ?
# 'Nannochloropsis oceanica' ?
# 'Nasonia vitripennis' ?
# 'Natronomonas pharaonis' ?
# 'Necator americanus' ?
# 'Neisseria gonorrhoeae' ?
# 'Neisseria meningitidis' ?
# 'Neosparassus' ?
# 'Nephila antipodiana' ?
# 'Nephila clavipes' ?
# 'Neurospora' ?
# 'Neurospora crassa' ?
# 'Nicotiana alata' ?
# 'Nicotiana tabacum' ?
# 'Nitrosomonas europaea' ?
# 'Nitrosopumilus maritimus' ?
# 'Nitrosospira multiformis' ?
# 'Nitrosospira multiformis ATCC 25196' ?
# 'Norovirus' ?
# 'Norwalk virus' ?
# 'Nostoc ellipsosporum' ?
# 'Nostoc punctiforme' ?
# 'Nostoc sp.' ?
# 'Nostoc sp. PCC 7119' ?
# 'Nostoc sp. PCC 7120' ?
# 'Notophthalmus viridescens' ?
# 'Oceanobacillus iheyensis' ?
# 'Odorrana grahami' ?
# 'Oldenlandia affinis' ?
# 'Olea europaea' ?
# 'Omsk hemorrhagic fever virus' ?
# 'Oncorhynchus mykiss' ?
# 'Oncorhynchus sp.' ?
# 'Opisthacanthus madagascariensis' ?
# 'Opsanus tau' ?
# 'Ornithorhynchus anatinus' ?
# 'Orthoreovirus' ?
# 'Oryctes rhinoceros' ?
# 'Oryctolagus cuniculus' ?
# 'Oryza sativa' ?
# 'Oryza sativa Japonica Group' ?
# 'Oryzias latipes' ?
# 'Otopappus epaleaceus' ?
# 'Ovis aries' ?
# 'Oxyopes takobius' ?
# 'Pachycara brachycephalum' ?
# 'Paenibacillus campinasensis' ?
# 'Paenibacillus fukuinensis' ?
# 'Paenibacillus polymyxa' ?
# 'Pandinus imperator' ?
# 'Pantoea ananatis' ?
# 'Pan troglodytes' ?
# 'Panax ginseng' ?
# 'Papilio xuthus' ?
# 'Papillomaviridae' ?
# 'Papio anubis' ?
# 'Parabacteroides distasonis' ?
# 'Parabuthus transvaalicus' ?
# 'Paracoccus denitrificans' ?
# 'Paracoccus pantotrophus' ?
# 'Paracoccus versutus' ?
# 'Paramecium' ?
# 'Paramecium bursaria' ?
# 'Paramecium tetraurelia' ?
# 'Paraponera clavata' ?
# 'Pasteurella multocida' ?
# 'Pavo cristatus' ?
# 'Pea enation mosaic virus-1' ?
# 'Pectobacterium carotovorum' ?
# 'Pediococcus pentosaceus' ?
# 'Peirates turpis' ?
# 'Pelodiscus sinensis' ?
# 'Pelophylax saharicus' ?
# 'Penaeus monodon' ?
# 'Penicillium chrysogenum' ?
# 'Pentadiplandra brazzeana' ?
# 'Peptoclostridium difficile' ?
# 'Petroselinum crispum' ?
# 'Petunia x hybrida' ?
# 'Phage 434' ?
# 'Phaseolus vulgaris' ?
# 'Phleum pratense' ?
# 'Phoradendron liga' ?
# 'Phoradendron tomentosum' ?
# 'Photinus pyralis' ?
# 'Phyllomedusa distincta' ?
# 'Physeter catodon' ?
# 'Phytolacca americana' ?
# 'Phytophthora capsici' ?
# 'Phytophthora sojae' ?
# 'Pichia kudriavzevii' ?
# 'Pieris brassicae' ?
# 'Piriformospora indica' ?
# 'Piromyces equi' ?
# 'Pisum sativum' ?
# 'Planktothrix agardhii' ?
# 'Plasmodium falciparum' ?
# 'Plasmodium falciparum 3D7' ?
# 'Plasmodium vivax' ?
# 'Plasmodium yoelii' ?
# 'Plethodon shermani' ?
# 'Plodia interpunctella' ?
# 'Pneumovirus' ?
# 'Podisus maculiventris' ?
# 'Podospora anserina' ?
# 'Polyandrocarpa misakiensis' ?
# 'Polyomavirus' ?
# 'Populus' ?
# 'Populus nigra' ?
# 'Populus sp.' ?
# 'Populus tremula x Populus tremuloides' ?
# 'Populus trichocarpa' ?
# 'Porcine circovirus' ?
# 'Porcine epidemic diarrhea virus' ?
# 'Porphyra umbilicalis' ?
# 'Porphyromonas gingivalis' ?
# 'Prochloron didemni' ?
# 'Prochlorothrix hollandica' ?
# 'Propionibacterium freudenreichii subsp. shermanii' ?
# 'Propionigenium modestum' ?
# 'Protobothrops jerdonii' ?
# 'Protophormia terraenovae' ?
# 'Prunus avium' ?
# 'Prunus persica' ?
# 'Psalmopoeus cambridgei' ?
# 'Pseudoalteromonas haloplanktis' ?
# 'Pseudoflavonifractor capillosus ATCC 29799' ?
# 'Pseudomonas' ?
# 'Pseudomonas aeruginosa' ?
# 'Pseudomonas aeruginosa PAO1' ?
# 'Pseudomonas fluorescens' ?
# 'Pseudomonas mendocina' ?
# 'Pseudomonas phage JBD30' ?
# 'Pseudomonas phage Pf1' ?
# 'Pseudomonas putida' ?
# 'Pseudomonas stutzeri' ?
# 'Pseudomonas stutzeri ATCC 14405 = CCUG 16156' ?
# 'Pseudomonas syringae' ?
# 'Pseudomonas syringae pv. maculicola str. ES4326' ?
# 'Pseudomonas syringae pv. phaseolicola 1448A' ?
# 'Pseudoplectania nigrella' ?
# 'Pseudopleuronectes americanus' ?
# 'Puma concolor' ?
# 'Pyrobaculum aerophilum' ?
# 'Pyrococcus abyssi' ?
# 'Pyrococcus furiosus' ?
# 'Pyrococcus furiosus DSM 3638' ?
# 'Pyrococcus horikoshii' ?
# 'Pyrococcus horikoshii OT3' ?
# 'Rabbitpox virus' ?
# 'Radianthus paumotensis' ?
# 'Rana cascadae' ?
# 'Rana catesbeiana' ?
# 'Rana pipiens' ?
# 'Rana septentrionalis' ?
# 'Rana temporaria' ?
# 'Raphanus sativus' ?
# 'Rattus norvegicus' ?
# 'Rattus rattus' ?
# 'Reptilian orthoreovirus' ?
# 'Respirovirus' ?
# 'Rhesus rotavirus' ?
# 'Rhipicephalus appendiculatus' ?
# 'Rhipicephalus bursa' ?
# 'Rhipicephalus microplus' ?
# 'Rhizobium etli' ?
# 'Rhizopus oryzae' ?
# 'Rhodnius prolixus' ?
# 'Rhodobacter capsulatus' ?
# 'Rhodobacter sphaeroides' ?
# 'Rhodobacter sphaeroides 2.4.1' ?
# 'Rhodoblastus acidophilus' ?
# 'Rhodopseudomonas palustris' ?
# 'Rhodopseudomonas palustris CGA009' ?
# 'Rhodospirillum rubrum' ?
# 'Rhodothermus marinus' ?
# 'Rhynchosporium secalis' ?
# 'Ricinus communis' ?
# 'Rickettsia prowazekii' ?
# 'Rift Valley fever virus' ?
# 'Rous sarcoma virus' ?
# 'Rous sarcoma virus - Prague C' ?
# 'Rous sarcoma virus (strain Schmidt-Ruppin)' ?
# 'Ruegeria pomeroyi' ?
# 'Ruminiclostridium thermocellum' ?
# 'Ruminococcus gnavus ATCC 29149' ?
# 'Saccharomyces cerevisiae' ?
# 'Saccharomyces cerevisiae S288c' ?
# 'Saccharopolyspora erythraea' ?
# 'Saccharopolyspora spinosa' ?
# 'Saccharum officinarum' ?
# 'Saimiriine herpesvirus 2' ?
# 'Salinibacter ruber' ?
# 'Salmonella enterica' ?
# 'Salmonella enterica subsp. enterica serovar Newport' ?
# 'Salmonella enterica subsp. enterica serovar Typhi' ?
# 'Salmonella enterica subsp. enterica serovar Typhimurium' ?
# 'Salmonella enterica subsp. enterica serovar Typhimurium str. LT2' ?
# 'Saprolegnia monoica' ?
# 'Sarcophaga peregrina' ?
# 'SARS coronavirus' ?
# 'SARS coronavirus AS' ?
# 'SARS coronavirus Tor2' ?
# 'Schistocerca gregaria' ?
# 'Schistosoma mansoni' ?
# 'Schizosaccharomyces pombe' ?
# 'Scolopendra mutilans' ?
# 'Scolopendra subspinipes' ?
# 'Scorpaena' ?
# 'Scorpio maurus' ?
# 'Scorpiones' ?
# 'Scorpionidae' ?
# 'Scylla serrata' ?
# 'Secale cereale' ?
# 'Segestria florentina' ?
# 'Selenotypus plumipes' ?
# 'Sendai virus (strain Harris)' ?
# 'Serratia marcescens' ?
# 'Shewanella amazonensis' ?
# 'Shewanella frigidimarina' ?
# 'Shewanella loihica PV-4' ?
# 'Shewanella oneidensis' ?
# 'Shewanella oneidensis MR-1' ?
# 'Shewanella putrefaciens' ?
# 'Shewanella sp.' ?
# 'Shigella dysenteriae' ?
# 'Shigella dysenteriae Sd197' ?
# 'Shigella flexneri' ?
# 'Shigella flexneri 2a' ?
# 'Shigella flexneri 6' ?
# 'Sicarius dolichocephalus' ?
# 'Simian foamy virus' ?
# 'Simian immunodeficiency virus' ?
# 'Simian virus 40' ?
# 'Simplexvirus' ?
# 'Sinorhizobium meliloti' ?
# 'Solanum lycopersicum' ?
# 'Solanum tuberosum' ?
# 'Sphingomonas sp. Fr1' ?
# 'Spinacia oleracea' ?
# 'Spodoptera litura' ?
# 'Sporosarcina pasteurii' ?
# 'Staphylococcus aureus' ?
# 'Staphylococcus aureus subsp. aureus Mu50' ?
# 'Staphylococcus carnosus' ?
# 'Staphylococcus epidermidis' ?
# 'Staphylococcus haemolyticus' ?
# 'Staphylococcus hominis' ?
# 'Staphylococcus phage 29' ?
# 'Staphylococcus phage GH15' ?
# 'Staphylococcus saprophyticus' ?
# 'Stellaria media' ?
# 'Stichodactyla helianthus' ?
# 'Streptoalloteichus hindustanus' ?
# 'Streptoalloteichus sp.' ?
# 'Streptococcus' ?
# 'Streptococcus agalactiae' ?
# 'Streptococcus canis' ?
# 'Streptococcus dysgalactiae' ?
# 'Streptococcus equi' ?
# 'Streptococcus equi subsp. zooepidemicus' ?
# 'Streptococcus equinus' ?
# 'Streptococcus gordonii str. Challis' ?
# 'Streptococcus mutans' ?
# 'Streptococcus pneumoniae' ?
# 'Streptococcus pneumoniae D39' ?
# 'Streptococcus pneumoniae TIGR4' ?
# 'Streptococcus pyogenes' ?
# 'Streptococcus sp.' ?
# "Streptococcus sp. 'group G'" ?
# 'Streptococcus thermophilus' ?
# 'Streptomonospora alba' ?
# 'Streptomyces' ?
# 'Streptomyces actuosus' ?
# 'Streptomyces albogriseolus' ?
# 'Streptomyces ambofaciens' ?
# 'Streptomyces aureofaciens' ?
# 'Streptomyces azureus' ?
# 'Streptomyces carzinostaticus' ?
# 'Streptomyces coelicolor' ?
# 'Streptomyces coelicolor A3(2)' ?
# 'Streptomyces filamentosus' ?
# 'Streptomyces flavovirens' ?
# 'Streptomyces globisporus' ?
# 'Streptomyces griseinus' ?
# 'Streptomyces griseosporeus' ?
# 'Streptomyces hygroscopicus' ?
# 'Streptomyces leeuwenhoekii' ?
# 'Streptomyces lividans' ?
# 'Streptomyces nigrescens' ?
# 'Streptomyces olivaceoviridis' ?
# 'Streptomyces parvulus' ?
# 'Streptomyces rimosus' ?
# 'Streptomyces sp.' ?
# 'Streptomyces sp. I08A-00426' ?
# 'Streptomyces sviceus' ?
# 'Streptomyces tendae' ?
# 'Streptomyces verticillus' ?
# 'Streptomyces virginiae' ?
# 'Strongylocentrotus purpuratus' ?
# 'Struthio camelus' ?
# 'Sugarcane yellow leaf virus' ?
# 'Sulfolobus acidocaldarius' ?
# 'Sulfolobus islandicus' ?
# 'Sulfolobus islandicus rod-shaped virus 1' ?
# 'Sulfolobus shibatae' ?
# 'Sulfolobus solfataricus' ?
# 'Sulfolobus solfataricus P2' ?
# 'Sulfolobus virus Ragged Hills' ?
# 'Sus scrofa' ?
# 'Synechococcus elongatus' ?
# 'Synechococcus elongatus PCC 6301' ?
# 'Synechococcus elongatus PCC 7942' ?
# 'Synechococcus sp.' ?
# 'Synechococcus sp. PCC 7002' ?
# 'Synechocystis sp.' ?
# 'Synechocystis sp. PCC 6803' ?
# 'Tachyglossus aculeatus' ?
# 'Tachypleus sp.' ?
# 'Tachypleus tridentatus' ?
# 'Tegenaria agrestis' ?
# 'Tenebrio molitor' ?
# 'Terebra cf. variegata NP' ?
# 'Tetrahymena thermophila' ?
# 'Themiste hennahi' ?
# 'Thermobifida fusca' ?
# 'Thermococcus celer' ?
# 'Thermoplasma' ?
# 'Thermoplasma acidophilum' ?
# 'Thermosynechococcus elongatus' ?
# 'Thermosynechococcus elongatus BP-1' ?
# 'Thermotoga maritima' ?
# 'Thermotoga maritima MSB8' ?
# 'Thermus aquaticus' ?
# 'Thermus thermophilus' ?
# 'Thermus thermophilus HB8' ?
# 'Thomomys bottae' ?
# 'Thrixopelma pruriens' ?
# 'Tityus cambridgei' ?
# 'Tityus discrepans' ?
# 'Tityus serrulatus' ?
# 'Tityus trivittatus' ?
# 'Tomato yellow leaf curl Sardinia virus' ?
# 'Torpedo californica' ?
# 'Torpedo marmorata' ?
# 'Toxoplasma gondii' ?
# 'Trachemys scripta' ?
# 'Triatoma infestans' ?
# 'Trichoderma reesei' ?
# 'Trichoderma reesei QM6a' ?
# 'Trichomonas vaginalis' ?
# 'Triticum aestivum' ?
# 'Triticum kiharae' ?
# 'Tritrichomonas foetus' ?
# 'Trypanosoma brucei' ?
# 'Trypanosoma brucei brucei' ?
# 'Trypanosoma cruzi' ?
# 'Turnip yellow mosaic virus' ?
# 'uncultured bacterium A41' ?
# 'uncultured gamma proteobacterium' ?
# 'unidentified adenovirus' ?
# 'unidentified baculovirus' ?
# 'unidentified herpesvirus' ?
# 'unidentified influenza virus' ?
# 'unidentified phage' ?
# 'Ureaplasma parvum' ?
# 'Urticina' ?
# 'Vaccinia virus' ?
# 'Vaccinia virus WR' ?
# 'Venturia inaequalis' ?
# 'Vespa' ?
# 'Vespa simillima xanthoptera' ?
# 'Vibrio anguillarum' ?
# 'Vibrio cholerae' ?
# 'Vibrio harveyi' ?
# 'Vibrio parahaemolyticus' ?
# 'Vibrio vulnificus' ?
# 'Vigna radiata' ?
# 'Viola hederacea' ?
# 'Viola odorata' ?
# 'Vipera' ?
# 'Viscum album' ?
# 'Vitis riparia' ?
# 'Vitreoscilla beggiatoides' ?
# 'West Nile virus' ?
# 'White spot syndrome virus' ?
# 'Wrightia religiosa' ?
# 'Xanthomonas axonopodis' ?
# 'Xanthomonas campestris' ?
# 'Xanthomonas citri' ?
# 'Xanthomonas gardneri' ?
# 'Xenopus laevis' ?
# 'Xenopus (Silurana) tropicalis' ?
# 'Xylella fastidiosa' ?
# 'Yellow fever virus' ?
# 'Yersinia enterocolitica' ?
# 'Yersinia pestis' ?
# 'Yersinia pseudotuberculosis' ?
# 'Zea mays' ?
# 'Zoarces americanus' ?
# 'Zoarces elongatus' ?
# 'unidentified' ?
#
# stop_
loop_
_item_examples.case
;
Homo sapiens
;
stop_
save_
save__entity_natural_src.organism_name_common
_item_description.description
;
Common name used for the biological organism.
;
_item.name '_entity_natural_src.organism_name_common'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
baker's yeast
;
stop_
save_
save__entity_natural_src.organism_acronym
_item_description.description
;
A common acronym used to identify the organism.
;
_item.name '_entity_natural_src.organism_acronym'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
_item_type.code 'line'
save_
save__entity_natural_src.ictvdb_decimal_code
_item_description.description
;
ICTV database decimal code for a virus
;
_item.name '_entity_natural_src.ictvdb_decimal_code'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
_item_type.code 'line'
save_
save__entity_natural_src.superkingdom
_item_description.description
;
Scientific superkingdom classification for an organism as defined by NCBI
taxonomists.
;
_item.name '_entity_natural_src.superkingdom'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag yes
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
Archaea ?
Bacteria prokaryotes
Eukaryota ?
Viroid ?
Viruses ?
Other ?
Unclassified ?
stop_
loop_
_item_examples.case
;
Eukaryota
;
stop_
save_
save__entity_natural_src.kingdom
_item_description.description
;
Kingdom classifications for an organism as defined by NCBI taxonomists.
;
_item.name '_entity_natural_src.kingdom'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag yes
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
Metazoa ?
Fungi ?
Viridiplantae ?
Loebvirae ?
Orthornavirae ?
Pararnavirae ?
Heunggongvirae ?
Bamfordvirae ?
Helvetiavirae ?
Sangervirae ?
Shotokuvirae ?
Trapavirae ?
Zilligvirae ?
'Not applicable' ?
stop_
loop_
_item_examples.case
;
Metazoa
;
stop_
save_
save__entity_natural_src.genus
_item_description.description
;
Genus for the natural organism
;
_item.name '_entity_natural_src.genus'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
Saccharomyces
;
stop_
save_
save__entity_natural_src.species
_item_description.description
;
Scientific name for the species of the organism as defined by NCBI taxonomists
whenever possible.
;
_item.name '_entity_natural_src.species'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
cerevisiae
;
stop_
save_
save__entity_natural_src.strain
_item_description.description
;
The scientific name for the strain of an organism.
;
_item.name '_entity_natural_src.strain'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
gm3c2; BH10 isolate
;
stop_
save_
save__entity_natural_src.variant
_item_description.description
;
Name used to classify the variant of an organism.
;
_item.name '_entity_natural_src.variant'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
BRU isolate
;
stop_
save_
save__entity_natural_src.subvariant
_item_description.description
;
Name used to define a subvariant of an organism.
;
_item.name '_entity_natural_src.subvariant'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
_item_type.code 'line'
save_
save__entity_natural_src.organ
_item_description.description
;
The organ of a higher organism where the biopolymer is found in nature.
;
_item.name '_entity_natural_src.organ'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
brain ?
heart ?
intestine ?
kidney ?
liver ?
lung ?
pancreas ?
skin ?
testicle ?
leaf ?
'venom gland' ?
'oral mucosa submandibular-sublingual glands' ?
'salivary glands' ?
oocyte ?
breast ?
stomach ?
'electric organ' ?
eye ?
ileum ?
'small intestine' ?
seed ?
blood ?
duodendum ?
jejunum ?
vulva ?
hepatopancreas ?
placenta ?
'skeletal muscle' ?
aorta ?
telson ?
ubiquitous ?
'aciniform gland' ?
endoskeleton ?
heamolymph ?
'mucous epithelium' ?
'cardiac skeletal muscle' ?
'seminal vesicles' ?
antennae ?
fruit ?
thymus ?
'egg white' ?
na ?
stop_
loop_
_item_examples.case
;
pancreas
;
stop_
save_
save__entity_natural_src.tissue
_item_description.description
;
The tissue from an organism that is the natural or experimental source
of the molecule.
;
_item.name '_entity_natural_src.tissue'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
# loop_
# _item_enumeration.value
# _item_enumeration.detail
#
# BMRB/XML: Eliminated the following enumerations.
# skin ?
#
# stop_
loop_
_item_examples.case
;
muscle
;
stop_
save_
save__entity_natural_src.tissue_fraction
_item_description.description
;
The fraction of the tissue that was used as the source of the molecular entity.
;
_item.name '_entity_natural_src.tissue_fraction'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
_item_type.code 'line'
save_
save__entity_natural_src.cell_line
_item_description.description
;
Name the specific line of cells used in the experiment.
;
_item.name '_entity_natural_src.cell_line'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
4-4-20 murine-murine hybridoma
;
stop_
save_
save__entity_natural_src.cell_type
_item_description.description
;
Identify the particular kind of cell.
;
_item.name '_entity_natural_src.cell_type'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
B-lymphocyte
;
stop_
save_
save__entity_natural_src.atcc_number
_item_description.description
;
Organism culture number defined in the American Type Culture Collection.
;
_item.name '_entity_natural_src.atcc_number'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
27355
;
stop_
save_
save__entity_natural_src.organelle
_item_description.description
;
Organized structure within a cell.
;
_item.name '_entity_natural_src.organelle'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
chloroplast ?
'endoplasmic reticulum' ?
'golgi apparatus' ?
mitochondria ?
nucleus ?
vacuole ?
acrosome ?
autophagosome ?
centriole ?
cilium ?
'eyespot apparatus' ?
glycosome ?
glyoxysome ?
hydrogenosome ?
lysosome ?
melanosome ?
mitosome ?
myofibril ?
nucleolus ?
parenthesome ?
peroxisome ?
proteasome ?
ribosome ?
vesicle ?
cytosol ?
cytoskeleton ?
'endomembrane system' ?
nucleosome ?
microtubule ?
'cell membrane' ?
# BMRB/XML: Added na.
na ?
stop_
loop_
_item_examples.case
;
mitochondria
;
stop_
save_
save__entity_natural_src.cellular_location
_item_description.description
;
The cellular location where the molecular entity is found with in the natural
source for the molecular entity.
;
_item.name '_entity_natural_src.cellular_location'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
cytoplasm
;
stop_
save_
save__entity_natural_src.fragment
_item_description.description
;
A domain or fragment of the molecule.
;
_item.name '_entity_natural_src.fragment'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
_item_type.code 'line'
save_
save__entity_natural_src.fraction
_item_description.description
;
Indicate cellular location here such as cytoplasm periplasm extracellular etc.
;
_item.name '_entity_natural_src.fraction'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
cytoplasm
;
stop_
save_
save__entity_natural_src.secretion
_item_description.description
;
If the molecule was isolated from a particular secretion such as saliva
urine or venom this is stated here.
;
_item.name '_entity_natural_src.secretion'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
saliva ?
semen ?
'vaginal fluid' ?
venom ?
'hen egg white' ?
'sensillum lymph' ?
milk ?
blood ?
dermal ?
urine ?
extracellular ?
cement ?
# BMRB/XML: Added na.
na ?
stop_
loop_
_item_examples.case
;
venom
;
stop_
save_
save__entity_natural_src.plasmid
_item_description.description
;
The name for a plasmid that naturally contains the gene for the biopolymer.
;
_item.name '_entity_natural_src.plasmid'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
PPED5-399
;
stop_
save_
save__entity_natural_src.plasmid_details
_item_description.description
;
Text details describing the plasmid that is the natural source for the
molecular entity.
;
_item.name '_entity_natural_src.plasmid_details'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
_item_type.code 'text'
save_
save__entity_natural_src.gene_mnemonic
_item_description.description
;
Name of the gene that is the source of the biopolymer
;
_item.name '_entity_natural_src.gene_mnemonic'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
tmoC
;
stop_
save_
save__entity_natural_src.dev_stage
_item_description.description
;
For molecular entities that are present in an organism only at a define
stage in the development of the organism, the stage they are present.
;
_item.name '_entity_natural_src.dev_stage'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
_item_type.code 'text'
save_
save__entity_natural_src.details
_item_description.description
;
Give any other remarks or comments on the biological source which may be
relevant.
;
_item.name '_entity_natural_src.details'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
_item_type.code 'text'
loop_
_item_examples.case
;
German collection of microorganisms (DSM)
;
stop_
save_
save__entity_natural_src.citation_id
_item_description.description
;
Pointer to '_Citation.ID'
;
_item.name '_entity_natural_src.citation_id'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
_item_type.code 'int'
save_
save__entity_natural_src.citation_label
_item_description.description
;
Pointer to a saveframe of the category citation.
;
_item.name '_entity_natural_src.citation_label'
_item.category_id 'entity_natural_src'
_item.mandatory_code no
_item_type.code 'framecode'
save_
save__entity_natural_src.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity_natural_src.entry_id'
_item.category_id 'entity_natural_src'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__entity_natural_src.entity_natural_src_list_id
_item_description.description
;
Pointer to '_Entity_natural_src_list.ID'
;
_item.name '_entity_natural_src.entity_natural_src_list_id'
_item.category_id 'entity_natural_src'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_natural_source_db
_category.description
;
Items in the natural_source_db category define links to databases that contain information about the organisms and entities that are the natural source for molecular entities.
;
_category.id 'natural_source_db'
_category.mandatory_code yes
loop_
_category_key.name
'_natural_source_db.entity_natural_src_id'
'_natural_source_db.database_code'
'_natural_source_db.entry_code'
'_natural_source_db.entry_id'
'_natural_source_db.entity_natural_src_list_id'
stop_
loop_
_category_group.id
'inclusive_group'
'natural_source'
stop_
save_
save__natural_source_db.entity_natural_src_id
_item_description.description
;
Pointer to '_Entity_natural_src.ID'
;
_item.name '_natural_source_db.entity_natural_src_id'
_item.category_id 'natural_source_db'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__natural_source_db.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_natural_source_db.entity_id'
_item.category_id 'natural_source_db'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__natural_source_db.entity_label
_item_description.description
;
Pointer to a saveframe of the category 'entity'
;
_item.name '_natural_source_db.entity_label'
_item.category_id 'natural_source_db'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__natural_source_db.entity_chimera_segment_id
_item_description.description
;
Pointer to '_Entity_chimera_segment.ID'
;
_item.name '_natural_source_db.entity_chimera_segment_id'
_item.category_id 'natural_source_db'
_item.mandatory_code no
_item_type.code 'int'
save_
save__natural_source_db.database_code
_item_description.description
;
Code or abbreviation used by a database organization.
;
_item.name '_natural_source_db.database_code'
_item.category_id 'natural_source_db'
_item.mandatory_code yes
_item_type.code 'line'
loop_
_item_examples.case
;
TAIR
;
stop_
save_
save__natural_source_db.database_type
_item_description.description
;
The kind of database where the data are located.
;
_item.name '_natural_source_db.database_type'
_item.category_id 'natural_source_db'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
sequence; structure; genome
;
stop_
save_
save__natural_source_db.entry_code
_item_description.description
;
The accession code assigned to the entry by the database.
;
_item.name '_natural_source_db.entry_code'
_item.category_id 'natural_source_db'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__natural_source_db.entry_type
_item_description.description
;
Defines whether the current version of the entry is the original version
or an updated version.
;
_item.name '_natural_source_db.entry_type'
_item.category_id 'natural_source_db'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
original
;
stop_
save_
save__natural_source_db.orf_code
_item_description.description
;
Code assigned to the open reading frame coding for a protein or nucleic acid.
;
_item.name '_natural_source_db.orf_code'
_item.category_id 'natural_source_db'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
at1g01020
;
stop_
save_
save__natural_source_db.gene_locus_code
_item_description.description
;
Unique code assigned to the locus for the gene in the genome.
;
_item.name '_natural_source_db.gene_locus_code'
_item.category_id 'natural_source_db'
_item.mandatory_code no
_item_type.code 'line'
save_
save__natural_source_db.gene_cdna_code
_item_description.description
;
The unique code assigned to a cDNA sequence for the gene.
;
_item.name '_natural_source_db.gene_cdna_code'
_item.category_id 'natural_source_db'
_item.mandatory_code no
_item_type.code 'line'
save_
save__natural_source_db.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_natural_source_db.entry_id'
_item.category_id 'natural_source_db'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__natural_source_db.entity_natural_src_list_id
_item_description.description
;
Pointer to '_Entity_natural_src_list.ID'
;
_item.name '_natural_source_db.entity_natural_src_list_id'
_item.category_id 'natural_source_db'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_entity_experimental_src_list
_category.description
;
Items in the entity_experimental_src_list category define an entity experimental source save frame.
;
_category.id 'entity_experimental_src_list'
_category.mandatory_code yes
loop_
_category_key.name
'_entity_experimental_src_list.entry_id'
'_entity_experimental_src_list.id'
stop_
loop_
_category_group.id
'inclusive_group'
'experimental_source'
stop_
save_
save__entity_experimental_src_list.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_entity_experimental_src_list.sf_category'
_item.category_id 'entity_experimental_src_list'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__entity_experimental_src_list.sf_framecode
_item_description.description
;
The framecode for the save frame where the experimental sources for each
entity are listed.
;
_item.name '_entity_experimental_src_list.sf_framecode'
_item.category_id 'entity_experimental_src_list'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__entity_experimental_src_list.entry_id
_item_description.description
;
Pointer to '_Entry.ID'.
;
_item.name '_entity_experimental_src_list.entry_id'
_item.category_id 'entity_experimental_src_list'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__entity_experimental_src_list.id
_item_description.description
;
An integer value that uniquely identifies one Entity_experimental_src saveframe
from all other saveframes of this category.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_entity_experimental_src_list.id' 'entity_experimental_src_list' yes
'_entity_experimental_src.entity_experimental_src_list_id' 'entity_experimental_src' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_entity_experimental_src.entity_experimental_src_list_id' '_entity_experimental_src_list.id'
stop_
_item_type.code 'int'
save_
save_entity_experimental_src
_category.description
;
Items in the entity_experimental_src category describe the biological system or other means used to produce a molecular entity for experimental purposes.
;
_category.id 'entity_experimental_src'
_category.mandatory_code yes
loop_
_category_key.name
'_entity_experimental_src.id'
'_entity_experimental_src.entry_id'
'_entity_experimental_src.entity_experimental_src_list_id'
stop_
loop_
_category_group.id
'inclusive_group'
'experimental_source'
stop_
save_
save__entity_experimental_src.id
_item_description.description
;
An integer value that uniquely identifies each experimental source in the
list of experimental sources.
;
_item.name '_entity_experimental_src.id'
_item.category_id 'entity_experimental_src'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__entity_experimental_src.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_entity_experimental_src.entity_id'
_item.category_id 'entity_experimental_src'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__entity_experimental_src.entity_label
_item_description.description
;
Pointer to a saveframe of the category 'entity.' This is the label assigned
to the molecular entity by the author when completing the molecular entity
portion of the deposition.
;
_item.name '_entity_experimental_src.entity_label'
_item.category_id 'entity_experimental_src'
_item.mandatory_code yes
_item_type.code 'framecode'
loop_
_item_examples.case
;
lysozyme
;
stop_
save_
save__entity_experimental_src.entity_chimera_segment_id
_item_description.description
;
Pointer to '_Entity_chimera_segment.ID'
;
_item.name '_entity_experimental_src.entity_chimera_segment_id'
_item.category_id 'entity_experimental_src'
_item.mandatory_code no
_item_type.code 'int'
save_
save__entity_experimental_src.production_method
_item_description.description
;
The laboratory method used to obtain the biopolymers studied.
;
_item.name '_entity_experimental_src.production_method'
_item.category_id 'entity_experimental_src'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
_item_default.value 'recombinant technology'
loop_
_item_enumeration.value
_item_enumeration.detail
'recombinant technology' ?
'purified from the natural source' ?
'chemical synthesis' ?
'cell free synthesis' ?
'enzymatic semisynthesis' ?
'reverse transcriptase' ?
'obtained from a collaborator' ?
'obtained from a vendor' ?
na ?
stop_
loop_
_item_examples.case
;
recombinant technology
;
stop_
save_
save__entity_experimental_src.host_org_scientific_name
_item_description.description
;
The scientific name of the organism that served as host for the production
of the entity.
;
_item.name '_entity_experimental_src.host_org_scientific_name'
_item.category_id 'entity_experimental_src'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
# loop_
# _item_enumeration.value
# _item_enumeration.detail
#
# BMRB/XML: Replaced enumerations based on BMRB entries.
# 'Acholeplasma laidlawii' ?
# 'Acidiphilium cryptum' ?
# 'Ajellomyces capsulatus' ?
# 'Allamanda oenotherifolia' ?
# 'Amphitrite ornata' ?
# 'Apis mellifera' ?
# 'Aspergillus flavus' ?
# 'Aspergillus niger' ?
# 'Aspergillus oryzae' ?
# 'Aspergillus parasiticus' ?
# 'Asteropus' ?
# 'Bacillus licheniformis' ?
# 'Bacillus subtilis' ?
# 'Bacillus thuringiensis' ?
# 'Blomia tropicalis' ?
# 'Bombyx mori' ?
# 'Borrelia burgdorferi' ?
# 'Borreliella burgdorferi' ?
# 'Brevibacillus choshinensis' ?
# 'Bungarus candidus' ?
# 'Carausius morosus' ?
# 'Carnobacterium maltaromaticum' ?
# 'Centruroides sculpturatus' ?
# 'Centruroides suffusus suffusus' ?
# 'Chlorobaculum tepidum' ?
# 'Conus araneosus' ?
# 'Conus marmoreus' ?
# 'Conus radiatus' ?
# 'Corynebacterium glutamicum' ?
# 'Cricetulus griseus' ?
# 'Cupiennius salei' ?
# 'Dengue virus' ?
# 'Desulfovibrio desulfuricans' ?
# 'Dictyostelium discoideum' ?
# 'Diploptera punctata' ?
# 'Drosophila melanogaster' ?
# 'Echinochloa crus-galli' ?
# 'Eleftheria terrae' ?
# 'Emericellopsis minima' ?
# 'Emericellopsis salmosynnemata' ?
# 'Enterobacteria phage T7' ?
# 'Enterococcus faecalis' ?
# 'Enterococcus faecium' ?
# 'Escherichia' ?
# 'Escherichia coli' ?
# 'Escherichia coli 536' ?
# 'Escherichia coli B' ?
# 'Escherichia coli BL21' ?
# 'Escherichia coli BL21(DE3)' ?
# 'Escherichia coli 'BL21-Gold(DE3)pLysS AG'' ?
# 'Escherichia coli B41' ?
# 'Escherichia coli BW25113' ?
# 'Escherichia coli DH1' ?
# 'Escherichia coli DH5[alpha]' ?
# 'Escherichia coli K-12' ?
# 'Escherichia coli O103:H2 str. 12009' ?
# 'Escherichia coli-Pichia pastoris shuttle vector pPpARG4' ?
# 'Escherichia phage Ecwhy_1' ?
# 'Euplotes nobilii' ?
# 'Euplotes petzi' ?
# 'Euplotes raikovi' ?
# 'Gadus morhua' ?
# 'Gallus gallus' ?
# 'Geobacillus thermodenitrificans' ?
# 'Geobacter metallireducens' ?
# 'Hahella chejuensis' ?
# 'Helicobacter pylori' ?
# 'Halobacterium salinarum' ?
# 'Hirsutella thompsonii' ?
# 'Histoplasma capsulatum' ?
# 'Homo sapiens' ?
# 'Human immunodeficiency virus 1' ?
# 'Hypsiboas albopunctatus' ?
# 'in vitro transcription vector pT7-Fluc(deltai)' ?
# 'Jasminum sambac' ?
# 'Juglans hindsii' ?
# 'Komagataella pastoris' ?
# 'Komagataella phaffii GS115' ?
# 'Lactobacillus acidophilus' ?
# 'Lactobacillus plantarum' ?
# 'Lactococcus lactis' ?
# 'Leishmania major' ?
# 'Lentzea kentuckyensis' ?
# 'Leuconostoc gelidum' ?
# 'Mesobuthus eupeus' ?
# 'Microbispora sp. 107891' ?
# 'Momordica charantia' ?
# 'Momordica cochinchinensis' ?
# 'Mus musculus' ?
# 'Mycobacterium smegmatis' ?
# 'Mycobacterium tuberculosis' ?
# 'Mycolicibacterium smegmatis' ?
# 'Naja atra' ?
# 'Naja oxiana' ?
# 'Nicotiana tabacum' ?
# 'Nigella sativa' ?
# 'Neurospora' ?
# 'Novosphingobium subterraneum' ?
# 'Ogataea angusta' ?
# 'Oldenlandia affinis' ?
# 'Panax ginseng' ?
# 'Pelodiscus sinensis' ?
# 'Penicillium chrysogenum' ?
# 'Penicillium rubens Wisconsin 54-1255' ?
# 'Petroselinum crispum' ?
# 'Pichia' ?
# 'Pisum sativum' ?
# 'Populus fremontii' ?
# 'Pseudocerastes persicus' ?
# 'Pseudomonas aeruginosa' ?
# 'Pseudomonas fluorescens' ?
# 'Rana cascadae' ?
# 'Reptilian orthoreovirus' ?
# 'Rhodopseudomonas palustris' ?
# 'Saccharomyces cerevisiae' ?
# 'Shigella flexneri' ?
# 'Spodoptera frugiperda' ?
# 'Staphylococcus epidermidis' ?
# 'Stellaria media' ?
# 'Streptomonospora alba' ?
# 'Streptomyces avermitilis' ?
# 'Streptomyces coelicolor' ?
# 'Streptomyces leeuwenhoekii' ?
# 'Streptomyces lividans' ?
# 'Streptomyces sp. I08A-00426' ?
# 'Styela clava' ?
# 'Sulfolobus solfataricus' ?
# 'Sus scrofa' ?
# 'synthetic construct' ?
# 'Thioalkalivibrio paradoxus' ?
# 'Triticum aestivum' ?
# 'Vibrio sp. 60' ?
# 'Vitis vinifera' ?
# 'Wrightia religiosa' ?
# 'unidentified' ?
#
# stop_
loop_
_item_examples.case
;
Escherichia coli
;
stop_
save_
save__entity_experimental_src.host_org_name_common
_item_description.description
;
Common name for the organism used as a host in producing a biopolymer.
;
_item.name '_entity_experimental_src.host_org_name_common'
_item.category_id 'entity_experimental_src'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
E. coli
;
stop_
save_
save__entity_experimental_src.host_org_details
_item_description.description
;
Additional information or comments regarding the host organism.
;
_item.name '_entity_experimental_src.host_org_details'
_item.category_id 'entity_experimental_src'
_item.mandatory_code no
_item_type.code 'text'
save_
save__entity_experimental_src.host_org_ncbi_taxonomy_id
_item_description.description
;
Unique ID assigned by the NCBI to organisms.
;
_item.name '_entity_experimental_src.host_org_ncbi_taxonomy_id'
_item.category_id 'entity_experimental_src'
_item.mandatory_code no
_item_type.code 'code'
save_
save__entity_experimental_src.host_org_genus
_item_description.description
;
Genus of the host organism
;
_item.name '_entity_experimental_src.host_org_genus'
_item.category_id 'entity_experimental_src'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_examples.case
;
Escherichia
;
stop_
save_
save__entity_experimental_src.host_org_species
_item_description.description
;
Scientific name for the species of the organism as defined by NCBI taxonomists
whenever possible.
;
_item.name '_entity_experimental_src.host_org_species'
_item.category_id 'entity_experimental_src'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_examples.case
;
coli
;
stop_
save_
save__entity_experimental_src.host_org_strain
_item_description.description
;
The scientific name for the strain of an organism.
;
_item.name '_entity_experimental_src.host_org_strain'
_item.category_id 'entity_experimental_src'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
K12
;
stop_
save_
save__entity_experimental_src.host_org_variant
_item_description.description
;
Name used to classify the variant of an organism.
;
_item.name '_entity_experimental_src.host_org_variant'
_item.category_id 'entity_experimental_src'
_item.mandatory_code no
_item_type.code 'line'
save_
save__entity_experimental_src.host_org_subvariant
_item_description.description
;
In the hierarchy of organism nomenclature, the name or code designating
a subvariant of the organism used to express the entity. These may specific hosts
designed with mutations to knock out proteases or other enzymes deleterious to
the production of the entity.
;
_item.name '_entity_experimental_src.host_org_subvariant'
_item.category_id 'entity_experimental_src'
_item.mandatory_code no
_item_type.code 'line'
save_
save__entity_experimental_src.host_org_organ
_item_description.description
;
Cell lines used as hosts in producing macromolecules often originate from
a particular organ (e.g. chinese hamster ovary cells). If this is true for the
system used in this study please enter the name of the organ that was the source
for the cell line used.
;
_item.name '_entity_experimental_src.host_org_organ'
_item.category_id 'entity_experimental_src'
_item.mandatory_code no
_item_type.code 'line'
save_
save__entity_experimental_src.host_org_tissue
_item_description.description
;
The tissue from an organism that is the natural or experimental source
of the molecule.
;
_item.name '_entity_experimental_src.host_org_tissue'
_item.category_id 'entity_experimental_src'
_item.mandatory_code no
_item_type.code 'line'
save_
save__entity_experimental_src.host_org_tissue_fraction
_item_description.description
;
The fraction of the tissue which expressed the molecule.
;
_item.name '_entity_experimental_src.host_org_tissue_fraction'
_item.category_id 'entity_experimental_src'
_item.mandatory_code no
_item_type.code 'line'
save_
save__entity_experimental_src.host_org_cell_line
_item_description.description
;
The name for the cell line used in producing the biopolymer.
;
_item.name '_entity_experimental_src.host_org_cell_line'
_item.category_id 'entity_experimental_src'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
hela
;
stop_
save_
save__entity_experimental_src.host_org_cell_type
_item_description.description
;
Specific type of cell if used to produce the biopolymer.
;
_item.name '_entity_experimental_src.host_org_cell_type'
_item.category_id 'entity_experimental_src'
_item.mandatory_code no
_item_type.code 'line'
save_
save__entity_experimental_src.host_org_cellular_location
_item_description.description
;
Identifies the location inside (or outside) the cell which expressed the
molecule. Proteins may be excreted from a production host or produced in the periplasmic
space as opposed to the cytoplasm.
;
_item.name '_entity_experimental_src.host_org_cellular_location'
_item.category_id 'entity_experimental_src'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
cytoplasm
;
stop_
save_
save__entity_experimental_src.host_org_organelle
_item_description.description
;
Specific organelle which expressed the molecule.
;
_item.name '_entity_experimental_src.host_org_organelle'
_item.category_id 'entity_experimental_src'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
mitochondria
;
stop_
save_
save__entity_experimental_src.host_org_gene
_item_description.description
;
Specific gene which expressed the molecule.
;
_item.name '_entity_experimental_src.host_org_gene'
_item.category_id 'entity_experimental_src'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
HIV-1 pol
;
stop_
save_
save__entity_experimental_src.host_org_culture_collection
_item_description.description
;
Culture collection of the expression system.
;
_item.name '_entity_experimental_src.host_org_culture_collection'
_item.category_id 'entity_experimental_src'
_item.mandatory_code no
_item_type.code 'line'
save_
save__entity_experimental_src.host_org_atcc_number
_item_description.description
;
Organism culture number defined in the American Type Culture Collection.
;
_item.name '_entity_experimental_src.host_org_atcc_number'
_item.category_id 'entity_experimental_src'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
27355
;
stop_
save_
save__entity_experimental_src.vector_type
_item_description.description
;
The kind of biological object used to insert a gene into a host organism
for the production of a biological molecule studied in the entry.
;
_item.name '_entity_experimental_src.vector_type'
_item.category_id 'entity_experimental_src'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
_item_default.value 'plasmid'
# loop_
# _item_enumeration.value
# _item_enumeration.detail
#
# BMRB/XML: Eliminated the following enumerations.
# plasmid ?
# baculovirus ?
# 'other virus' ?
# cosmid ?
#
# stop_
loop_
_item_examples.case
;
'plasmid'
;
stop_
save_
save__entity_experimental_src.pdbview_host_org_vector_name
_item_description.description
;
The name of a vector used to insert a gene into a eukaryotic host to express
the biopolymer used in the experiments.
;
_item.name '_entity_experimental_src.pdbview_host_org_vector_name'
_item.category_id 'entity_experimental_src'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
baculovirus
;
stop_
save_
save__entity_experimental_src.pdbview_plasmid_name
_item_description.description
;
The name of a plasmid used in a bacterial system to generate the protein
or nucleic acid used in the experiments.
;
_item.name '_entity_experimental_src.pdbview_plasmid_name'
_item.category_id 'entity_experimental_src'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
pBR322
;
stop_
save_
save__entity_experimental_src.vector_name
_item_description.description
;
Name given to the vector used to insert a gene into a host organism.
;
_item.name '_entity_experimental_src.vector_name'
_item.category_id 'entity_experimental_src'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
pBR322
;
stop_
save_
save__entity_experimental_src.vector_details
_item_description.description
;
Text comments regarding the vector used to produce the biopolymer.
;
_item.name '_entity_experimental_src.vector_details'
_item.category_id 'entity_experimental_src'
_item.mandatory_code no
_item_type.code 'text'
save_
save__entity_experimental_src.vendor_name
_item_description.description
;
Commercial or academic vendor that supplied the defined item.
;
_item.name '_entity_experimental_src.vendor_name'
_item.category_id 'entity_experimental_src'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
Aldrich
;
stop_
save_
save__entity_experimental_src.host_org_dev_stage
_item_description.description
;
A string to indicate the life-cycle or cell development cycle in which
the gene is expressed and the mature protein is active.
;
_item.name '_entity_experimental_src.host_org_dev_stage'
_item.category_id 'entity_experimental_src'
_item.mandatory_code no
_item_type.code 'text'
save_
save__entity_experimental_src.details
_item_description.description
;
Additional information relevant to the data in the current saveframe or
to a specific data item is entered as a value to this tag. The information entered
must supplement information already present. Whenever possible data should
associated with specific data tags and not included in the value to a '_Details' tag.
;
_item.name '_entity_experimental_src.details'
_item.category_id 'entity_experimental_src'
_item.mandatory_code no
_item_type.code 'text'
save_
save__entity_experimental_src.citation_id
_item_description.description
;
Pointer to '_Citation.ID'
;
_item.name '_entity_experimental_src.citation_id'
_item.category_id 'entity_experimental_src'
_item.mandatory_code no
_item_type.code 'int'
save_
save__entity_experimental_src.citation_label
_item_description.description
;
Pointer to a saveframe of the category 'citation.' The citation would describe
how, for example, the vector was constructed and the host organism picked.
;
_item.name '_entity_experimental_src.citation_label'
_item.category_id 'entity_experimental_src'
_item.mandatory_code no
_item_type.code 'framecode'
save_
save__entity_experimental_src.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity_experimental_src.entry_id'
_item.category_id 'entity_experimental_src'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__entity_experimental_src.entity_experimental_src_list_id
_item_description.description
;
Pointer to '_Entity_experimental_src_list.ID'
;
_item.name '_entity_experimental_src.entity_experimental_src_list_id'
_item.category_id 'entity_experimental_src'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_chem_comp
_category.description
;
Items in the chem_comp category describe the chemical components that make up a molecular entity.
;
_category.id 'chem_comp'
loop_
_category_key.name
'_chem_comp.entry_id'
'_chem_comp.id'
stop_
loop_
_category_group.id
'inclusive_group'
'chem_comp'
stop_
save_
save__chem_comp.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_chem_comp.sf_category'
_item.category_id 'chem_comp'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__chem_comp.sf_framecode
_item_description.description
;
A descriptive label that uniquely identifies this chemical component.
;
_item.name '_chem_comp.sf_framecode'
_item.category_id 'chem_comp'
_item.mandatory_code yes
_item_type.code 'framecode'
loop_
_item_examples.case
;
NADP
;
stop_
save_
save__chem_comp.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_chem_comp.entry_id'
_item.category_id 'chem_comp'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__chem_comp.id
_item_description.description
;
A code that uniquely identifies the chemical component from all other chemical
components in the entry.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_chem_comp.id' 'chem_comp' yes
'_bond.comp_id_1' 'bond' yes
'_bond.comp_id_2' 'bond' yes
'_entity_deleted_atom.comp_id' 'entity_deleted_atom' yes
'_chem_comp_assembly.comp_id' 'chem_comp_assembly' yes
'_pdbx_poly_seq_scheme.comp_id' 'pdbx_poly_seq_scheme' yes
'_pdbx_nonpoly_scheme.comp_id' 'pdbx_nonpoly_scheme' yes
'_atom.comp_id' 'atom' yes
'_atom.pdb_comp_id' 'atom' yes
'_angle.comp_id_1' 'angle' yes
'_angle.comp_id_2' 'angle' yes
'_angle.comp_id_3' 'angle' yes
'_torsion_angle.comp_id_1' 'torsion_angle' yes
'_torsion_angle.comp_id_2' 'torsion_angle' yes
'_torsion_angle.comp_id_3' 'torsion_angle' yes
'_torsion_angle.comp_id_4' 'torsion_angle' yes
'_assembly_segment.comp_id' 'assembly_segment' yes
'_author_annotation.comp_id' 'author_annotation' yes
'_entity.nonpolymer_comp_id' 'entity' yes
'_entity_comp_index.comp_id' 'entity_comp_index' yes
'_entity_comp_index_alt.comp_id' 'entity_comp_index_alt' yes
'_entity_atom_list.comp_id' 'entity_atom_list' yes
'_entity_chem_comp_deleted_atom.comp_id' 'entity_chem_comp_deleted_atom' yes
'_entity_bond.comp_id_1' 'entity_bond' yes
'_entity_bond.comp_id_2' 'entity_bond' yes
'_chem_comp_common_name.comp_id' 'chem_comp_common_name' yes
'_chem_comp_bio_function.comp_id' 'chem_comp_bio_function' yes
'_chem_struct_descriptor.comp_id' 'chem_struct_descriptor' yes
'_chem_comp_descriptor.comp_id' 'chem_comp_descriptor' yes
'_chem_comp_identifier.comp_id' 'chem_comp_identifier' yes
'_chem_comp_systematic_name.comp_id' 'chem_comp_systematic_name' yes
'_chem_comp_smiles.comp_id' 'chem_comp_smiles' yes
'_chem_comp_keyword.comp_id' 'chem_comp_keyword' yes
'_pdbx_chem_comp_feature.comp_id' 'pdbx_chem_comp_feature' yes
'_characteristic.comp_id' 'characteristic' yes
'_chem_comp_atom.comp_id' 'chem_comp_atom' yes
'_atom_nomenclature.comp_id' 'atom_nomenclature' yes
'_chem_comp_bond.comp_id' 'chem_comp_bond' yes
'_chem_comp_tor.comp_id' 'chem_comp_tor' yes
'_chem_comp_angle.comp_id' 'chem_comp_angle' yes
'_chem_comp_db_link.comp_id' 'chem_comp_db_link' yes
'_chem_comp_citation.comp_id' 'chem_comp_citation' yes
'_sample_component_atom_isotope.comp_id' 'sample_component_atom_isotope' yes
'_atom_chem_shift.comp_id' 'atom_chem_shift' yes
'_theoretical_chem_shift.comp_id' 'theoretical_chem_shift' yes
'_coupling_constant.comp_id_1' 'coupling_constant' yes
'_coupling_constant.comp_id_2' 'coupling_constant' yes
'_theoretical_coupling_constant.comp_id_1' 'theoretical_coupling_constant' yes
'_theoretical_coupling_constant.comp_id_2' 'theoretical_coupling_constant' yes
'_assigned_peak_chem_shift.comp_id' 'assigned_peak_chem_shift' yes
'_peak_row_format.comp_id_1' 'peak_row_format' yes
'_peak_row_format.comp_id_2' 'peak_row_format' yes
'_peak_row_format.comp_id_3' 'peak_row_format' yes
'_peak_row_format.comp_id_4' 'peak_row_format' yes
'_peak_row_format.comp_id_5' 'peak_row_format' yes
'_assigned_spectral_transition.comp_id' 'assigned_spectral_transition' yes
'_resonance_assignment.comp_id' 'resonance_assignment' yes
'_spin_system.comp_id' 'spin_system' yes
'_isotope_effect.comp_id' 'isotope_effect' yes
'_isotope_label_pattern.comp_id' 'isotope_label_pattern' yes
'_chem_shift_perturbation.comp_id' 'chem_shift_perturbation' yes
'_cs_anisotropy.comp_id' 'cs_anisotropy' yes
'_rdc.comp_id_1' 'rdc' yes
'_rdc.comp_id_2' 'rdc' yes
'_dipolar_coupling.comp_id_1' 'dipolar_coupling' yes
'_dipolar_coupling.comp_id_2' 'dipolar_coupling' yes
'_spectral_density.comp_id' 'spectral_density' yes
'_other_data.comp_id' 'other_data' yes
'_chemical_rate.comp_id' 'chemical_rate' yes
'_h_exch_rate.comp_id' 'h_exch_rate' yes
'_h_exch_protection_factor.comp_id' 'h_exch_protection_factor' yes
'_homonucl_noe.comp_id_1' 'homonucl_noe' yes
'_homonucl_noe.comp_id_2' 'homonucl_noe' yes
'_heteronucl_noe.comp_id_1' 'heteronucl_noe' yes
'_heteronucl_noe.comp_id_2' 'heteronucl_noe' yes
'_theoretical_heteronucl_noe.comp_id_1' 'theoretical_heteronucl_noe' yes
'_theoretical_heteronucl_noe.comp_id_2' 'theoretical_heteronucl_noe' yes
'_t1.comp_id' 't1' yes
'_theoretical_t1.comp_id' 'theoretical_t1' yes
'_t1rho.comp_id' 't1rho' yes
'_t2.comp_id' 't2' yes
'_theoretical_t2.comp_id' 'theoretical_t2' yes
'_auto_relaxation.comp_id' 'auto_relaxation' yes
'_theoretical_auto_relaxation.comp_id' 'theoretical_auto_relaxation' yes
'_dipole_dipole_relax.comp_id_1' 'dipole_dipole_relax' yes
'_dipole_dipole_relax.comp_id_2' 'dipole_dipole_relax' yes
'_cross_correlation_dd.dipole_1_comp_id_1' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_1_comp_id_2' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_2_comp_id_1' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_2_comp_id_2' 'cross_correlation_dd' yes
'_theoretical_cross_correlation_dd.dipole_1_comp_id_1' 'theoretical_cross_correlation_dd' yes
'_theoretical_cross_correlation_dd.dipole_1_comp_id_2' 'theoretical_cross_correlation_dd' yes
'_theoretical_cross_correlation_dd.dipole_2_comp_id_1' 'theoretical_cross_correlation_dd' yes
'_theoretical_cross_correlation_dd.dipole_2_comp_id_2' 'theoretical_cross_correlation_dd' yes
'_cross_correlation_d_csa.dipole_comp_id_1' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.dipole_comp_id_2' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.csa_comp_id_1' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.csa_comp_id_2' 'cross_correlation_d_csa' yes
'_order_param.comp_id' 'order_param' yes
'_ph_titr_result.atm_obs_comp_id' 'ph_titr_result' yes
'_ph_titr_result.atm_titr_comp_id' 'ph_titr_result' yes
'_d_h_fractionation_factor.comp_id' 'd_h_fractionation_factor' yes
'_binding_result.atm_obs_comp_id' 'binding_result' yes
'_deduced_secd_struct_feature.comp_id' 'deduced_secd_struct_feature' yes
'_deduced_h_bond.heavy_atom_comp_id_1' 'deduced_h_bond' yes
'_deduced_h_bond.heavy_atom_comp_id_2' 'deduced_h_bond' yes
'_deduced_h_bond.h_atom_comp_id' 'deduced_h_bond' yes
'_atom_site.label_comp_id' 'atom_site' yes
'_atom_site.pdbx_label_comp_id' 'atom_site' yes
'_terminal_residue.comp_id' 'terminal_residue' yes
'_rep_conf.comp_id' 'rep_conf' yes
'_angular_order_param.comp_id' 'angular_order_param' yes
'_tertiary_struct.comp_id' 'tertiary_struct' yes
'_struct_anno_char.comp_id' 'struct_anno_char' yes
'_bond_annotation.comp_id_1' 'bond_annotation' yes
'_bond_annotation.comp_id_2' 'bond_annotation' yes
'_structure_interaction.comp_id_1' 'structure_interaction' yes
'_structure_interaction.comp_id_2' 'structure_interaction' yes
'_tensor.comp_id' 'tensor' yes
'_interatomic_dist.comp_id_1' 'interatomic_dist' yes
'_interatomic_dist.comp_id_2' 'interatomic_dist' yes
'_gen_dist_constraint.comp_id_1' 'gen_dist_constraint' yes
'_gen_dist_constraint.comp_id_2' 'gen_dist_constraint' yes
'_dist_constraint.comp_id' 'dist_constraint' yes
'_floating_chirality.comp_id_1' 'floating_chirality' yes
'_floating_chirality.comp_id_2' 'floating_chirality' yes
'_torsion_angle_constraint.comp_id_1' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.comp_id_2' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.comp_id_3' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.comp_id_4' 'torsion_angle_constraint' yes
# BMRB/XML: Fatal error while DDL mapping
# '_rdc_constraint_list.tensor_comp_id' 'rdc_constraint_list' yes
'_rdc_constraint.comp_id_1' 'rdc_constraint' yes
'_rdc_constraint.comp_id_2' 'rdc_constraint' yes
'_j_three_bond_constraint.comp_id_1' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.comp_id_2' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.comp_id_3' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.comp_id_4' 'j_three_bond_constraint' yes
'_ca_cb_constraint.comp_id_1' 'ca_cb_constraint' yes
'_ca_cb_constraint.comp_id_2' 'ca_cb_constraint' yes
'_ca_cb_constraint.comp_id_3' 'ca_cb_constraint' yes
'_ca_cb_constraint.comp_id_4' 'ca_cb_constraint' yes
'_ca_cb_constraint.comp_id_5' 'ca_cb_constraint' yes
'_h_chem_shift_constraint.comp_id' 'h_chem_shift_constraint' yes
'_mz_precursor_ion_annotation.comp_id' 'mz_precursor_ion_annotation' yes
'_mz_product_ion_annotation.comp_id' 'mz_product_ion_annotation' yes
'_ms_chrom_ion_annotation.comp_id' 'ms_chrom_ion_annotation' yes
# BMRB/XML: LACS extension
'_lacs_char.comp_id' 'lacs_char' yes
# BMRB/XML: PB extension
'_pb_char.comp_id' 'pb_char' yes
# BMRB/XML: CS completeness
'_chem_shift_completeness_char.comp_id' 'chem_shift_completeness_char' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_bond.comp_id_1' '_chem_comp.id'
'_bond.comp_id_2' '_chem_comp.id'
'_entity_deleted_atom.comp_id' '_chem_comp.id'
'_chem_comp_assembly.comp_id' '_chem_comp.id'
'_pdbx_poly_seq_scheme.comp_id' '_chem_comp.id'
'_pdbx_nonpoly_scheme.comp_id' '_chem_comp.id'
'_atom.comp_id' '_chem_comp.id'
'_atom.pdb_comp_id' '_chem_comp.id'
'_angle.comp_id_1' '_chem_comp.id'
'_angle.comp_id_2' '_chem_comp.id'
'_angle.comp_id_3' '_chem_comp.id'
'_torsion_angle.comp_id_1' '_chem_comp.id'
'_torsion_angle.comp_id_2' '_chem_comp.id'
'_torsion_angle.comp_id_3' '_chem_comp.id'
'_torsion_angle.comp_id_4' '_chem_comp.id'
'_assembly_segment.comp_id' '_chem_comp.id'
'_author_annotation.comp_id' '_chem_comp.id'
'_entity.nonpolymer_comp_id' '_chem_comp.id'
'_entity_comp_index.comp_id' '_chem_comp.id'
'_entity_comp_index_alt.comp_id' '_chem_comp.id'
'_entity_atom_list.comp_id' '_chem_comp.id'
'_entity_chem_comp_deleted_atom.comp_id' '_chem_comp.id'
'_entity_bond.comp_id_1' '_chem_comp.id'
'_entity_bond.comp_id_2' '_chem_comp.id'
'_chem_comp_common_name.comp_id' '_chem_comp.id'
'_chem_comp_bio_function.comp_id' '_chem_comp.id'
'_chem_struct_descriptor.comp_id' '_chem_comp.id'
'_chem_comp_descriptor.comp_id' '_chem_comp.id'
'_chem_comp_identifier.comp_id' '_chem_comp.id'
'_chem_comp_systematic_name.comp_id' '_chem_comp.id'
'_chem_comp_smiles.comp_id' '_chem_comp.id'
'_chem_comp_keyword.comp_id' '_chem_comp.id'
'_pdbx_chem_comp_feature.comp_id' '_chem_comp.id'
'_characteristic.comp_id' '_chem_comp.id'
'_chem_comp_atom.comp_id' '_chem_comp.id'
'_atom_nomenclature.comp_id' '_chem_comp.id'
'_chem_comp_bond.comp_id' '_chem_comp.id'
'_chem_comp_tor.comp_id' '_chem_comp.id'
'_chem_comp_angle.comp_id' '_chem_comp.id'
'_chem_comp_db_link.comp_id' '_chem_comp.id'
'_chem_comp_citation.comp_id' '_chem_comp.id'
'_sample_component_atom_isotope.comp_id' '_chem_comp.id'
'_atom_chem_shift.comp_id' '_chem_comp.id'
'_theoretical_chem_shift.comp_id' '_chem_comp.id'
'_coupling_constant.comp_id_1' '_chem_comp.id'
'_coupling_constant.comp_id_2' '_chem_comp.id'
'_theoretical_coupling_constant.comp_id_1' '_chem_comp.id'
'_theoretical_coupling_constant.comp_id_2' '_chem_comp.id'
'_assigned_peak_chem_shift.comp_id' '_chem_comp.id'
'_peak_row_format.comp_id_1' '_chem_comp.id'
'_peak_row_format.comp_id_2' '_chem_comp.id'
'_peak_row_format.comp_id_3' '_chem_comp.id'
'_peak_row_format.comp_id_4' '_chem_comp.id'
'_peak_row_format.comp_id_5' '_chem_comp.id'
'_assigned_spectral_transition.comp_id' '_chem_comp.id'
'_resonance_assignment.comp_id' '_chem_comp.id'
'_spin_system.comp_id' '_chem_comp.id'
'_isotope_effect.comp_id' '_chem_comp.id'
'_isotope_label_pattern.comp_id' '_chem_comp.id'
'_chem_shift_perturbation.comp_id' '_chem_comp.id'
'_cs_anisotropy.comp_id' '_chem_comp.id'
'_rdc.comp_id_1' '_chem_comp.id'
'_rdc.comp_id_2' '_chem_comp.id'
'_dipolar_coupling.comp_id_1' '_chem_comp.id'
'_dipolar_coupling.comp_id_2' '_chem_comp.id'
'_spectral_density.comp_id' '_chem_comp.id'
'_other_data.comp_id' '_chem_comp.id'
'_chemical_rate.comp_id' '_chem_comp.id'
'_h_exch_rate.comp_id' '_chem_comp.id'
'_h_exch_protection_factor.comp_id' '_chem_comp.id'
'_homonucl_noe.comp_id_1' '_chem_comp.id'
'_homonucl_noe.comp_id_2' '_chem_comp.id'
'_heteronucl_noe.comp_id_1' '_chem_comp.id'
'_heteronucl_noe.comp_id_2' '_chem_comp.id'
'_theoretical_heteronucl_noe.comp_id_1' '_chem_comp.id'
'_theoretical_heteronucl_noe.comp_id_2' '_chem_comp.id'
'_t1.comp_id' '_chem_comp.id'
'_theoretical_t1.comp_id' '_chem_comp.id'
'_t1rho.comp_id' '_chem_comp.id'
'_t2.comp_id' '_chem_comp.id'
'_theoretical_t2.comp_id' '_chem_comp.id'
'_auto_relaxation.comp_id' '_chem_comp.id'
'_theoretical_auto_relaxation.comp_id' '_chem_comp.id'
'_dipole_dipole_relax.comp_id_1' '_chem_comp.id'
'_dipole_dipole_relax.comp_id_2' '_chem_comp.id'
'_cross_correlation_dd.dipole_1_comp_id_1' '_chem_comp.id'
'_cross_correlation_dd.dipole_1_comp_id_2' '_chem_comp.id'
'_cross_correlation_dd.dipole_2_comp_id_1' '_chem_comp.id'
'_cross_correlation_dd.dipole_2_comp_id_2' '_chem_comp.id'
'_theoretical_cross_correlation_dd.dipole_1_comp_id_1' '_chem_comp.id'
'_theoretical_cross_correlation_dd.dipole_1_comp_id_2' '_chem_comp.id'
'_theoretical_cross_correlation_dd.dipole_2_comp_id_1' '_chem_comp.id'
'_theoretical_cross_correlation_dd.dipole_2_comp_id_2' '_chem_comp.id'
'_cross_correlation_d_csa.dipole_comp_id_1' '_chem_comp.id'
'_cross_correlation_d_csa.dipole_comp_id_2' '_chem_comp.id'
'_cross_correlation_d_csa.csa_comp_id_1' '_chem_comp.id'
'_cross_correlation_d_csa.csa_comp_id_2' '_chem_comp.id'
'_order_param.comp_id' '_chem_comp.id'
'_ph_titr_result.atm_obs_comp_id' '_chem_comp.id'
'_ph_titr_result.atm_titr_comp_id' '_chem_comp.id'
'_d_h_fractionation_factor.comp_id' '_chem_comp.id'
'_binding_result.atm_obs_comp_id' '_chem_comp.id'
'_deduced_secd_struct_feature.comp_id' '_chem_comp.id'
'_deduced_h_bond.heavy_atom_comp_id_1' '_chem_comp.id'
'_deduced_h_bond.heavy_atom_comp_id_2' '_chem_comp.id'
'_deduced_h_bond.h_atom_comp_id' '_chem_comp.id'
'_atom_site.label_comp_id' '_chem_comp.id'
'_atom_site.pdbx_label_comp_id' '_chem_comp.id'
'_terminal_residue.comp_id' '_chem_comp.id'
'_rep_conf.comp_id' '_chem_comp.id'
'_angular_order_param.comp_id' '_chem_comp.id'
'_tertiary_struct.comp_id' '_chem_comp.id'
'_struct_anno_char.comp_id' '_chem_comp.id'
'_bond_annotation.comp_id_1' '_chem_comp.id'
'_bond_annotation.comp_id_2' '_chem_comp.id'
'_structure_interaction.comp_id_1' '_chem_comp.id'
'_structure_interaction.comp_id_2' '_chem_comp.id'
'_tensor.comp_id' '_chem_comp.id'
'_interatomic_dist.comp_id_1' '_chem_comp.id'
'_interatomic_dist.comp_id_2' '_chem_comp.id'
'_gen_dist_constraint.comp_id_1' '_chem_comp.id'
'_gen_dist_constraint.comp_id_2' '_chem_comp.id'
'_dist_constraint.comp_id' '_chem_comp.id'
'_floating_chirality.comp_id_1' '_chem_comp.id'
'_floating_chirality.comp_id_2' '_chem_comp.id'
'_torsion_angle_constraint.comp_id_1' '_chem_comp.id'
'_torsion_angle_constraint.comp_id_2' '_chem_comp.id'
'_torsion_angle_constraint.comp_id_3' '_chem_comp.id'
'_torsion_angle_constraint.comp_id_4' '_chem_comp.id'
# BMRB/XML: Fatal error while DDL mapping
# '_rdc_constraint_list.tensor_comp_id' '_chem_comp.id'
'_rdc_constraint.comp_id_1' '_chem_comp.id'
'_rdc_constraint.comp_id_2' '_chem_comp.id'
'_j_three_bond_constraint.comp_id_1' '_chem_comp.id'
'_j_three_bond_constraint.comp_id_2' '_chem_comp.id'
'_j_three_bond_constraint.comp_id_3' '_chem_comp.id'
'_j_three_bond_constraint.comp_id_4' '_chem_comp.id'
'_ca_cb_constraint.comp_id_1' '_chem_comp.id'
'_ca_cb_constraint.comp_id_2' '_chem_comp.id'
'_ca_cb_constraint.comp_id_3' '_chem_comp.id'
'_ca_cb_constraint.comp_id_4' '_chem_comp.id'
'_ca_cb_constraint.comp_id_5' '_chem_comp.id'
'_h_chem_shift_constraint.comp_id' '_chem_comp.id'
'_mz_precursor_ion_annotation.comp_id' '_chem_comp.id'
'_mz_product_ion_annotation.comp_id' '_chem_comp.id'
'_ms_chrom_ion_annotation.comp_id' '_chem_comp.id'
# BMRB/XML: LACS extension
'_lacs_char.comp_id' '_chem_comp.id'
# BMRB/XML: PB extension
'_pb_char.comp_id' '_chem_comp.id'
# BMRB/XML: CS completeness
'_chem_shift_completeness_char.comp_id' '_chem_comp.id'
stop_
_item_type.code 'code'
save_
save__chem_comp.provenance
_item_description.description
;
The tag value defines the source of the data used to construct the chem_comp
record.
;
_item.name '_chem_comp.provenance'
_item.category_id 'chem_comp'
_item.mandatory_code yes
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
BMRB ?
PDB ?
PubChem ?
# BMRB/XML: Added na.
na ?
stop_
loop_
_item_examples.case
;
BMRB
;
stop_
save_
save__chem_comp.name
_item_description.description
;
A common name for the chemical component or monomer.
;
_item.name '_chem_comp.name'
_item.category_id 'chem_comp'
_item.mandatory_code yes
_item_type.code 'line'
loop_
_item_examples.case
;
NADP
;
stop_
save_
save__chem_comp.type
_item_description.description
;
Chemical components can be of two molecular types either a complete chemical
compound or a fragment of a complete chemical compound.
;
_item.name '_chem_comp.type'
_item.category_id 'chem_comp'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag yes
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
'D-PEPTIDE LINKING' ?
'L-PEPTIDE LINKING' ?
'D-PEPTIDE NH3 AMINO TERMINUS' ?
'L-PEPTIDE NH3 AMINO TERMINUS' ?
'D-PEPTIDE COOH CARBOXY TERMINUS' ?
'L-PEPTIDE COOH CARBOXY TERMINUS' ?
'DNA LINKING' ?
'RNA LINKING' ?
'L-RNA LINKING' ?
'L-DNA LINKING' ?
'DNA OH 5 PRIME TERMINUS' ?
'RNA OH 5 PRIME TERMINUS' ?
'DNA OH 3 PRIME TERMINUS' ?
'RNA OH 3 PRIME TERMINUS' ?
'D-SACCHARIDE 1,4 AND 1,4 LINKING' ?
'L-SACCHARIDE 1,4 AND 1,4 LINKING' ?
'D-SACCHARIDE 1,4 AND 1,6 LINKING' ?
'L-SACCHARIDE 1,4 AND 1,6 LINKING' ?
L-SACCHARIDE ?
D-SACCHARIDE ?
SACCHARIDE ?
NON-POLYMER ?
'PEPTIDE LINKING' ?
PEPTIDE-LIKE ?
'L-GAMMA-PEPTIDE, C-DELTA LINKING' ?
'D-GAMMA-PEPTIDE, C-DELTA LINKING' ?
'L-BETA-PEPTIDE, C-GAMMA LINKING' ?
'D-BETA-PEPTIDE, C-GAMMA LINKING' ?
OTHER ?
stop_
loop_
_item_examples.case
;
L-peptide linking
;
stop_
save_
save__chem_comp.bmrb_code
_item_description.description
;
Twelve character code assigned to the chemical component by BMRB.
;
_item.name '_chem_comp.bmrb_code'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'code'
save_
save__chem_comp.pdb_code
_item_description.description
;
Three character code assigned to the chemical component by the PDB.
;
_item.name '_chem_comp.pdb_code'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
ALA
;
stop_
save_
save__chem_comp.ambiguous_flag
_item_description.description
;
A preliminary classification used by PDB to indicate that the chemistry
of this component while described as clearly as possible is still ambiguous. Software
tools may not be able to process this component definition.
;
_item.name '_chem_comp.ambiguous_flag'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_enumeration.value
_item_enumeration.detail
yes ?
no ?
stop_
save_
save__chem_comp.initial_date
_item_description.description
;
Date the chemical component was added to the database.
;
_item.name '_chem_comp.initial_date'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'yyyy-mm-dd'
save_
save__chem_comp.modified_date
_item_description.description
;
Date that the component was last modified.
;
_item.name '_chem_comp.modified_date'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'yyyy-mm-dd'
save_
save__chem_comp.release_status
_item_description.description
;
This data item holds the current release status for the component.
;
_item.name '_chem_comp.release_status'
_item.category_id 'chem_comp'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag yes
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
REL Released
HOLD 'On hold until yyyy-mm-dd'
HPUB 'On hold until publication'
OBS 'Entry has been obsoleted and replaced by another entry'
DEL 'Entry has been deleted'
stop_
save_
save__chem_comp.replaced_by
_item_description.description
;
Identifies the _chem_comp.id of the new component that has replaced this
component.
;
_item.name '_chem_comp.replaced_by'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'ucode'
save_
save__chem_comp.replaces
_item_description.description
;
Identifies the _chem_comp.id of the component this entry replaces. Converse
of _replaced_by.
;
_item.name '_chem_comp.replaces'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'uline'
save_
save__chem_comp.one_letter_code
_item_description.description
;
For standard polymer components, the one-letter code for the component.
If there is not a standard one-letter code for this component, or if this is a
non-polymer component, the one-letter code should be given as 'X'. This code may
be preceded by a '+' character to indicate that the component is a modification
of a standard component.
;
_item.name '_chem_comp.one_letter_code'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'uchar1'
save_
save__chem_comp.three_letter_code
_item_description.description
;
For standard polymer components, the three-letter code for the component.
If there is not a standard three-letter code for this component, or if this is
a non-polymer component, the three-letter code should be given as 'UNK'. This
code may be preceded by a '+' character to indicate that the component is a modification
of a standard component.
;
_item.name '_chem_comp.three_letter_code'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'uchar3'
save_
save__chem_comp.number_atoms_all
_item_description.description
;
The total number of atoms in the component.
;
_item.name '_chem_comp.number_atoms_all'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'int'
save_
save__chem_comp.number_atoms_nh
_item_description.description
;
The number of non-hydrogen atoms in the component.
;
_item.name '_chem_comp.number_atoms_nh'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'int'
save_
save__chem_comp.atom_nomenclature_source
_item_description.description
;
The code assigned by PubChem to the chemical component.
;
_item.name '_chem_comp.atom_nomenclature_source'
_item.category_id 'chem_comp'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
ALATIS ?
BMRB ?
stop_
loop_
_item_examples.case
;
IUPAC
;
stop_
save_
save__chem_comp.pubchem_code
_item_description.description
;
The substance ID code assigned to the compound by the PubChem database.
;
_item.name '_chem_comp.pubchem_code'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
33768
;
stop_
save_
save__chem_comp.subcomponent_list
_item_description.description
;
The list of subcomponents contained in this component.
;
_item.name '_chem_comp.subcomponent_list'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'text'
loop_
_item_examples.case
;
TSM DPH HIS CHF EMR
;
stop_
save_
save__chem_comp.inchi_code
_item_description.description
;
Enter the InChI code that uniquely describes the chemical structure of
the compound.
;
_item.name '_chem_comp.inchi_code'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'text'
save_
save__chem_comp.mon_nstd_flag
_item_description.description
;
A flag defining the non-standard status of the chemical component. A value
of Y indicates that the compound is a standard molecule.
;
_item.name '_chem_comp.mon_nstd_flag'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'yes_no'
loop_
_item_enumeration.value
_item_enumeration.detail
yes ?
no ?
stop_
loop_
_item_examples.case
;
yes
;
stop_
save_
save__chem_comp.mon_nstd_class
_item_description.description
;
A description of the class of a nonstandard monomer if the nonstandard
monomer represents a modification of a standard monomer.
;
_item.name '_chem_comp.mon_nstd_class'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'text'
loop_
_item_examples.case
;
iodinated base
;
stop_
save_
save__chem_comp.mon_nstd_details
_item_description.description
;
A description of special details of a nonstandard monomer.
;
_item.name '_chem_comp.mon_nstd_details'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'text'
save_
save__chem_comp.mon_nstd_parent
_item_description.description
;
The name of the parent monomer of the nonstandard monomer, if the nonstandard
monomer represents a modification of a standard monomer.
;
_item.name '_chem_comp.mon_nstd_parent'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'text'
save_
save__chem_comp.mon_nstd_parent_comp_id
_item_description.description
;
The identifier for the parent component of the nonstandard component. May
be a comma-separated list if this component is derived from multiple components.
;
_item.name '_chem_comp.mon_nstd_parent_comp_id'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'uline'
save_
save__chem_comp.std_deriv_one_letter_code
_item_description.description
;
The one letter code for the standard monomer from which the chemical component
is derived.
;
_item.name '_chem_comp.std_deriv_one_letter_code'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
Y
;
stop_
save_
save__chem_comp.std_deriv_three_letter_code
_item_description.description
;
The three letter code for the standard monomer from which the chemical
component is derived.
;
_item.name '_chem_comp.std_deriv_three_letter_code'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
TYR
;
stop_
save_
save__chem_comp.std_deriv_bmrb_code
_item_description.description
;
The BMRB code for the standard monomer from which the chemical component
is derived.
;
_item.name '_chem_comp.std_deriv_bmrb_code'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'code'
save_
save__chem_comp.std_deriv_pdb_code
_item_description.description
;
The PDB code for the standard monomer from which the chemical component
is derived.
;
_item.name '_chem_comp.std_deriv_pdb_code'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'code'
save_
save__chem_comp.std_deriv_chem_comp_name
_item_description.description
;
The name of the standard chemical component from which the chemical component
was derived.
;
_item.name '_chem_comp.std_deriv_chem_comp_name'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'line'
save_
save__chem_comp.synonyms
_item_description.description
;
Synonym list for the component.
;
_item.name '_chem_comp.synonyms'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'line'
save_
save__chem_comp.formal_charge
_item_description.description
;
The formal electrical charge on the chemical compound.
;
_item.name '_chem_comp.formal_charge'
_item.category_id 'chem_comp'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'code'
loop_
_item_enumeration.value
_item_enumeration.detail
5+ ?
4+ ?
3+ ?
2+ ?
1+ ?
0 ?
1- ?
2- ?
3- ?
4- ?
5- ?
stop_
loop_
_item_examples.case
;
2+
;
stop_
save_
save__chem_comp.paramagnetic
_item_description.description
;
A boolean flag that defines the paramagnetic status of the chemical component.
;
_item.name '_chem_comp.paramagnetic'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'yes_no'
loop_
_item_enumeration.value
_item_enumeration.detail
yes ?
no ?
stop_
loop_
_item_examples.case
;
yes
;
stop_
save_
save__chem_comp.aromatic
_item_description.description
;
A boolean flag that defines the aromatic status of the chemical component.
;
_item.name '_chem_comp.aromatic'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'yes_no'
loop_
_item_enumeration.value
_item_enumeration.detail
yes ?
no ?
stop_
loop_
_item_examples.case
;
no
;
stop_
save_
save__chem_comp.formula
_item_description.description
;
The empirical chemical formula for the chemical component.
;
_item.name '_chem_comp.formula'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
C9 H11 N O3
;
stop_
save_
save__chem_comp.formula_weight
_item_description.description
;
Formula mass in daltons of the chemical component.
;
_item.name '_chem_comp.formula_weight'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'float'
loop_
_item_examples.case
;
181.19
;
stop_
save_
save__chem_comp.formula_mono_iso_wt_nat
_item_description.description
;
Mono-isotopic formula mass calculated using the most abundant naturally
occuring isotope for each atom.
;
_item.name '_chem_comp.formula_mono_iso_wt_nat'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'float'
save_
save__chem_comp.formula_mono_iso_wt_13c
_item_description.description
;
Mono-isotopic formula mass calculated using the most abundant naturally
occuring isotope for each atom except carbon, where the mass of the 13C isotope is used.
;
_item.name '_chem_comp.formula_mono_iso_wt_13c'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'float'
save_
save__chem_comp.formula_mono_iso_wt_15n
_item_description.description
;
Mono-isotopic formula mass calculated using the most abundant naturally
occuring isotope for each atom except nitrogen, where the mass of the 15N isotope
is used.
;
_item.name '_chem_comp.formula_mono_iso_wt_15n'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'float'
save_
save__chem_comp.formula_mono_iso_wt_13c_15n
_item_description.description
;
Mono-isotopic formula mass calculated using the most abundant naturally
occuring isotope for each atom except carbon and nitrogen, where the mass of the
13C and 15N isotopes are used.
;
_item.name '_chem_comp.formula_mono_iso_wt_13c_15n'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'float'
save_
save__chem_comp.image_file_name
_item_description.description
;
Name of the file that contains an image of the chemical compound.
;
_item.name '_chem_comp.image_file_name'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'line'
_item_default.value 'not applicable'
loop_
_item_examples.case
;
sucrose.jpg
;
stop_
save_
save__chem_comp.image_file_format
_item_description.description
;
Type of image file format
;
_item.name '_chem_comp.image_file_format'
_item.category_id 'chem_comp'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
gif ?
jpeg ?
pdf ?
png ?
ps ?
tiff ?
'not applicable' ?
stop_
loop_
_item_examples.case
;
jpg; gif; tiff
;
stop_
save_
save__chem_comp.topo_file_name
_item_description.description
;
Name of the file containing the information about the topology of the chemical
compound.
;
_item.name '_chem_comp.topo_file_name'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'line'
save_
save__chem_comp.topo_file_format
_item_description.description
;
The type of format for the file containing the topology information for
the chemical compound.
;
_item.name '_chem_comp.topo_file_format'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'line'
save_
save__chem_comp.struct_file_name
_item_description.description
;
Name of a structure file attached to the entry for a chemical component.
;
_item.name '_chem_comp.struct_file_name'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'line'
save_
save__chem_comp.struct_file_format
_item_description.description
;
File format for the attached structure file.
;
_item.name '_chem_comp.struct_file_format'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'line'
save_
save__chem_comp.stereochem_param_file_name
_item_description.description
;
Name of a file that contains the stereochemical parameters for the chemical
component.
;
_item.name '_chem_comp.stereochem_param_file_name'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'line'
save_
save__chem_comp.stereochem_param_file_format
_item_description.description
;
File format for the attached stereochemical parameter file.
;
_item.name '_chem_comp.stereochem_param_file_format'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'line'
save_
save__chem_comp.model_details
_item_description.description
;
A description of special aspects of the generation of the coordinates for
the model of the component.
;
_item.name '_chem_comp.model_details'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'text'
loop_
_item_examples.case
;
geometry idealized but not minimized
;
stop_
save_
save__chem_comp.model_erf
_item_description.description
;
A pointer to an external reference file from which the atomic
;
_item.name '_chem_comp.model_erf'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'line'
save_
save__chem_comp.model_source
_item_description.description
;
The source of the coordinates for the model of the component.
;
_item.name '_chem_comp.model_source'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'text'
loop_
_item_examples.case
;
CSD entry ABCDEF
;
stop_
save_
save__chem_comp.model_coordinates_details
_item_description.description
;
Provides additional details about the model coordinates in the component
definition.
;
_item.name '_chem_comp.model_coordinates_details'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'text'
save_
save__chem_comp.model_coordinates_missing_flag
_item_description.description
;
This data item identifies if model coordinates are missing in this definition.
;
_item.name '_chem_comp.model_coordinates_missing_flag'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'ucode'
loop_
_item_enumeration.value
_item_enumeration.detail
yes ?
no ?
stop_
save_
save__chem_comp.ideal_coordinates_details
_item_description.description
;
Identifies the source of the ideal coordinates in the component definition.
;
_item.name '_chem_comp.ideal_coordinates_details'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'text'
save_
save__chem_comp.ideal_coordinates_missing_flag
_item_description.description
;
Identifies if ideal coordinates are missing in this definition.
;
_item.name '_chem_comp.ideal_coordinates_missing_flag'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'ucode'
loop_
_item_enumeration.value
_item_enumeration.detail
yes ?
no ?
stop_
save_
save__chem_comp.model_coordinates_db_code
_item_description.description
;
This item identifies the PDB database code from which the atom model coordinates
were obtained.
;
_item.name '_chem_comp.model_coordinates_db_code'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'line'
save_
save__chem_comp.processing_site
_item_description.description
;
This data item identifies the deposition site that processed this chemical
component defintion.
;
_item.name '_chem_comp.processing_site'
_item.category_id 'chem_comp'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag yes
_item_type.code 'code'
loop_
_item_enumeration.value
_item_enumeration.detail
EBI ?
MSD ?
PDBE ?
PDBJ ?
RCSB ?
stop_
save_
save__chem_comp.vendor
_item_description.description
;
Name of the company where the compound was purchased.
;
_item.name '_chem_comp.vendor'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
Sigma ?
Aldrich ?
Sigma/Aldrich ?
stop_
save_
save__chem_comp.vendor_product_code
_item_description.description
;
The product code assigned to the compound by the vender where the compound
was purchased.
;
_item.name '_chem_comp.vendor_product_code'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'line'
save_
save__chem_comp.details
_item_description.description
;
Additional text information that is relevant to the data in the current
saveframe or to a specific data item in the saveframe. This tag is often used
to include information that cannot be associated with a specific tag in the saveframe,
but is important.
;
_item.name '_chem_comp.details'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'text'
save_
save__chem_comp.db_query_date
_item_description.description
;
Date when the last query was carried out to search for information on the
chemical compound.
;
_item.name '_chem_comp.db_query_date'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'yyyy-mm-dd'
save_
save__chem_comp.db_last_query_revised_last_date
_item_description.description
;
Date the last time new information for the compound was found when a query
was executed.
;
_item.name '_chem_comp.db_last_query_revised_last_date'
_item.category_id 'chem_comp'
_item.mandatory_code no
_item_type.code 'yyyy-mm-dd'
save_
save_chem_comp_common_name
_category.description
;
Items in the chem_comp_common_name category provide a list of common names for a chemical component.
;
_category.id 'chem_comp_common_name'
loop_
_category_key.name
'_chem_comp_common_name.name'
'_chem_comp_common_name.type'
'_chem_comp_common_name.entry_id'
'_chem_comp_common_name.comp_id'
stop_
loop_
_category_group.id
'inclusive_group'
'chem_comp'
stop_
save_
save__chem_comp_common_name.name
_item_description.description
;
A synonym for the chemical component or monomer.
;
_item.name '_chem_comp_common_name.name'
_item.category_id 'chem_comp_common_name'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__chem_comp_common_name.type
_item_description.description
;
The type of name given to the compound (abbreviation, etc.).
;
_item.name '_chem_comp_common_name.type'
_item.category_id 'chem_comp_common_name'
_item.mandatory_code yes
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
abbreviation ?
name ?
na 'not available'
stop_
save_
save__chem_comp_common_name.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_chem_comp_common_name.entry_id'
_item.category_id 'chem_comp_common_name'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__chem_comp_common_name.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_chem_comp_common_name.comp_id'
_item.category_id 'chem_comp_common_name'
_item.mandatory_code yes
_item_type.code 'code'
save_
save_chem_comp_bio_function
_category.description
;
NOT AVAILABLE
;
_category.id 'chem_comp_bio_function'
loop_
_category_key.name
'_chem_comp_bio_function.biological_function'
'_chem_comp_bio_function.entry_id'
'_chem_comp_bio_function.comp_id'
stop_
loop_
_category_group.id
'inclusive_group'
'chem_comp'
stop_
save_
save__chem_comp_bio_function.biological_function
_item_description.description
;
A specific function carried out by the molecular entity in its native biological
system.
;
_item.name '_chem_comp_bio_function.biological_function'
_item.category_id 'chem_comp_bio_function'
_item.mandatory_code yes
_item_type.code 'text'
loop_
_item_examples.case
;
electron transport; protease; kinase
;
stop_
save_
save__chem_comp_bio_function.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_chem_comp_bio_function.entry_id'
_item.category_id 'chem_comp_bio_function'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__chem_comp_bio_function.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_chem_comp_bio_function.comp_id'
_item.category_id 'chem_comp_bio_function'
_item.mandatory_code yes
_item_type.code 'code'
save_
save_chem_struct_descriptor
_category.description
;
NOT AVAILABLE
;
_category.id 'chem_struct_descriptor'
loop_
_category_key.name
'_chem_struct_descriptor.id'
'_chem_struct_descriptor.entry_id'
'_chem_struct_descriptor.comp_id'
stop_
loop_
_category_group.id
'inclusive_group'
'chem_comp'
stop_
save_
save__chem_struct_descriptor.id
_item_description.description
;
A value that uniquely identifies each chemical structure descriptor provided
in the list.
;
_item.name '_chem_struct_descriptor.id'
_item.category_id 'chem_struct_descriptor'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__chem_struct_descriptor.descriptor
_item_description.description
;
A chemical structure descriptor.
;
_item.name '_chem_struct_descriptor.descriptor'
_item.category_id 'chem_struct_descriptor'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
alcohol ?
aldehyde ?
alkyne ?
alkene ?
alkane ?
amide ?
'carboxylic acid' ?
ester ?
ether ?
ketone ?
amine ?
nitrile ?
'primary amine' ?
'secondary amine' ?
'teritary amine' ?
thiol ?
'three carbon ring' ?
'four carbon ring' ?
'five carbon ring' ?
'six carbon ring' ?
'seven carbon ring' ?
'eight carbon ring' ?
'three member heterocycle' ?
'four member heterocycle' ?
'five member heterocycle' ?
'six member heterocycle' ?
'seven member heterocycle' ?
'eight member heterocycle' ?
'benzyl group' ?
'phenyl group' ?
phenol ?
imidazole ?
'beta lactam' ?
methyl ?
methylene ?
stop_
save_
save__chem_struct_descriptor.type
_item_description.description
;
The type of descriptor provided.
;
_item.name '_chem_struct_descriptor.type'
_item.category_id 'chem_struct_descriptor'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
linkage ?
'chemical fragment' ?
'functional group' ?
stop_
save_
save__chem_struct_descriptor.count
_item_description.description
;
The number of chemical structures of the same kind in the chemical compound.
;
_item.name '_chem_struct_descriptor.count'
_item.category_id 'chem_struct_descriptor'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__chem_struct_descriptor.software_id
_item_description.description
;
Pointer to '_Software.ID'
;
_item.name '_chem_struct_descriptor.software_id'
_item.category_id 'chem_struct_descriptor'
_item.mandatory_code no
_item_type.code 'int'
save_
save__chem_struct_descriptor.software_label
_item_description.description
;
Pointer to a saveframe of the category software.
;
_item.name '_chem_struct_descriptor.software_label'
_item.category_id 'chem_struct_descriptor'
_item.mandatory_code no
_item_type.code 'framecode'
save_
save__chem_struct_descriptor.sf_id
_item_description.description
;
Pointer to '_Chem_comp.Sf_ID'
;
_item.name '_chem_struct_descriptor.sf_id'
_item.category_id 'chem_struct_descriptor'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__chem_struct_descriptor.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_chem_struct_descriptor.entry_id'
_item.category_id 'chem_struct_descriptor'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__chem_struct_descriptor.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_chem_struct_descriptor.comp_id'
_item.category_id 'chem_struct_descriptor'
_item.mandatory_code yes
_item_type.code 'code'
save_
save_chem_comp_descriptor
_category.description
;
Data items in the chem_comp_descriptor category provide string descriptors of component chemical structure.
;
_category.id 'chem_comp_descriptor'
loop_
_category_key.name
'_chem_comp_descriptor.descriptor'
'_chem_comp_descriptor.type'
'_chem_comp_descriptor.program'
'_chem_comp_descriptor.program_version'
'_chem_comp_descriptor.entry_id'
'_chem_comp_descriptor.comp_id'
stop_
loop_
_category_group.id
'inclusive_group'
'chem_comp'
stop_
save_
save__chem_comp_descriptor.descriptor
_item_description.description
;
This data item contains the descriptor value for this component.
;
_item.name '_chem_comp_descriptor.descriptor'
_item.category_id 'chem_comp_descriptor'
_item.mandatory_code yes
_item_type.code 'text'
save_
save__chem_comp_descriptor.type
_item_description.description
;
This data item contains the descriptor type.
;
_item.name '_chem_comp_descriptor.type'
_item.category_id 'chem_comp_descriptor'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
# BMRB/XML: InChI -> INCHI to fit existing value.
SMILES_CANONICAL 'Canonical SMILES descriptor'
SMILES_ISOMERIC 'Isomeric SMILES descriptor'
SMILES 'SMILES descriptor'
INCHI 'InChI descriptor'
INCHI_MAIN 'InChI descriptor- main layer'
INCHI_MAIN_FORMULA 'InChI descriptor- main layer - chemical formula sub-layer'
INCHI_MAIN_CONNECT 'InChI descriptor- main layer - atom connection sub-layer'
INCHI_MAIN_HATOM 'InChI descriptor- main layer - hydrogen atom sub-layer'
INCHI_CHARGE 'InChI descriptor- charge layer'
INCHI_STEREO 'InChI descriptor- stereochemical layer'
INCHI_ISOTOPE 'InChI descriptor- isotopic layer'
INCHI_FIXEDH 'InChI descriptor- fixed hydrogren layer'
INCHI_RECONNECT 'InChI descriptor- reconnected layer'
# BMRB/XML: Added na.
na 'not available'
stop_
save_
save__chem_comp_descriptor.program
_item_description.description
;
This data item contains the name of the program or library used to compute
the descriptor.
;
_item.name '_chem_comp_descriptor.program'
_item.category_id 'chem_comp_descriptor'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
ACD 'Advanced Chemistry Development'
OECHEM 'OpenEye OECHEM library'
CACTVS 'CACTVS program library'
DAYLIGHT 'Daylight program library'
OTHER 'Other program or library'
na 'not available'
stop_
save_
save__chem_comp_descriptor.program_version
_item_description.description
;
This data item contains the version of the program
;
_item.name '_chem_comp_descriptor.program_version'
_item.category_id 'chem_comp_descriptor'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__chem_comp_descriptor.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_chem_comp_descriptor.entry_id'
_item.category_id 'chem_comp_descriptor'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__chem_comp_descriptor.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_chem_comp_descriptor.comp_id'
_item.category_id 'chem_comp_descriptor'
_item.mandatory_code yes
_item_type.code 'code'
save_
save_chem_comp_identifier
_category.description
;
Data items in the chem_comp_identifier category provide identifiers for chemical components.
;
_category.id 'chem_comp_identifier'
loop_
_category_key.name
'_chem_comp_identifier.identifier'
'_chem_comp_identifier.type'
'_chem_comp_identifier.program'
'_chem_comp_identifier.program_version'
'_chem_comp_identifier.entry_id'
'_chem_comp_identifier.comp_id'
stop_
loop_
_category_group.id
'inclusive_group'
'chem_comp'
stop_
save_
save__chem_comp_identifier.identifier
_item_description.description
;
This data item contains the identifier value for this component.
;
_item.name '_chem_comp_identifier.identifier'
_item.category_id 'chem_comp_identifier'
_item.mandatory_code yes
_item_type.code 'text'
save_
save__chem_comp_identifier.type
_item_description.description
;
This data item contains the identifier type.
;
_item.name '_chem_comp_identifier.type'
_item.category_id 'chem_comp_identifier'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
'common name' 'Common chemical name'
'systematic name' 'Systematic chemical name'
'CAS Registry number' 'Chemical Abstracts Registry Number'
'PUBCHEM Identifier' 'PubChem accession number'
'PUBCHEM CID' 'PubChem compound identifier'
'PUBCHEM SID' 'PubChem substance identifier'
'MDL Identifier' 'Molecular Design Limited Identifier'
# BMRB/XML: Added for metabolomics database.
PUBCHEM_IUPAC_NAME ?
PUBCHEM_IUPAC_CAS_NAME ?
PUBCHEM_IUPAC_OPENEYE_NAME ?
PUBCHEM_IUPAC_SYSTEMATIC_NAME ?
PUBCHEM_IUPAC_TRADITIONAL_NAME ?
'NSC NUMBER' 'National Safety Code Certificate Number'
stop_
save_
save__chem_comp_identifier.program
_item_description.description
;
This data item contains the name of the program or library used to compute
the identifier.
;
_item.name '_chem_comp_identifier.program'
_item.category_id 'chem_comp_identifier'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
OECHEM 'OpenEye OECHEM program'
DAYLIGHT 'Daylight program library'
ACD 'Advanced Chemistry Development Naming Program'
AUTONOM 'Belstein AutoNom Naming Program'
OTHER 'Other program or library'
stop_
save_
save__chem_comp_identifier.program_version
_item_description.description
;
This data item contains the version of the program or library used to compute
the identifier.
;
_item.name '_chem_comp_identifier.program_version'
_item.category_id 'chem_comp_identifier'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__chem_comp_identifier.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_chem_comp_identifier.entry_id'
_item.category_id 'chem_comp_identifier'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__chem_comp_identifier.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_chem_comp_identifier.comp_id'
_item.category_id 'chem_comp_identifier'
_item.mandatory_code yes
_item_type.code 'code'
save_
save_chem_comp_systematic_name
_category.description
;
Items in the chem_comp_systematic_name category provide a list of systematic names for a chemical component and define the systematic naming systems.
;
_category.id 'chem_comp_systematic_name'
loop_
_category_key.name
'_chem_comp_systematic_name.naming_system'
'_chem_comp_systematic_name.entry_id'
'_chem_comp_systematic_name.comp_id'
stop_
loop_
_category_group.id
'inclusive_group'
'chem_comp'
stop_
save_
save__chem_comp_systematic_name.name
_item_description.description
;
A name for the chemical compound that has been defined by an official body
or is derived from rules defined by an official organization recognized by the
scientific community.
;
_item.name '_chem_comp_systematic_name.name'
_item.category_id 'chem_comp_systematic_name'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__chem_comp_systematic_name.naming_system
_item_description.description
;
An official method of nomenclature or defined set of nomenclature for chemical
compounds recognized by the scientific community.
;
_item.name '_chem_comp_systematic_name.naming_system'
_item.category_id 'chem_comp_systematic_name'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
IUPAC ?
'CAS name' ?
'CAS registry number' ?
BMRB ?
'One letter code' ?
'Three letter code' ?
Beilstein ?
'Lignin abbreviation' ?
stop_
loop_
_item_examples.case
;
IUPAC
;
stop_
save_
save__chem_comp_systematic_name.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_chem_comp_systematic_name.entry_id'
_item.category_id 'chem_comp_systematic_name'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__chem_comp_systematic_name.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_chem_comp_systematic_name.comp_id'
_item.category_id 'chem_comp_systematic_name'
_item.mandatory_code yes
_item_type.code 'code'
save_
save_chem_comp_smiles
_category.description
;
Items in the chem_comp_SMILES category define a SMILES string for a chemical component and the type of SMILES string that is provided.
;
_category.id 'chem_comp_smiles'
loop_
_category_key.name
'_chem_comp_smiles.type'
'_chem_comp_smiles.string'
'_chem_comp_smiles.entry_id'
'_chem_comp_smiles.comp_id'
stop_
loop_
_category_group.id
'inclusive_group'
'chem_comp'
stop_
save_
save__chem_comp_smiles.type
_item_description.description
;
The type of SMILES string provided is defined by this tag value.
;
_item.name '_chem_comp_smiles.type'
_item.category_id 'chem_comp_smiles'
_item.mandatory_code yes
_item_type.code 'line'
loop_
_item_examples.case
;
canonical; isomeric; unique
;
stop_
save_
save__chem_comp_smiles.string
_item_description.description
;
SMILES string for the chemical component.
;
_item.name '_chem_comp_smiles.string'
_item.category_id 'chem_comp_smiles'
_item.mandatory_code yes
_item_type.code 'text'
loop_
_item_examples.case
;
C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O
;
stop_
save_
save__chem_comp_smiles.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_chem_comp_smiles.entry_id'
_item.category_id 'chem_comp_smiles'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__chem_comp_smiles.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_chem_comp_smiles.comp_id'
_item.category_id 'chem_comp_smiles'
_item.mandatory_code yes
_item_type.code 'code'
save_
save_chem_comp_keyword
_category.description
;
Items in the chem_comp_keyword category provide a list of keywords that describe a chemical component.
;
_category.id 'chem_comp_keyword'
loop_
_category_key.name
'_chem_comp_keyword.keyword'
'_chem_comp_keyword.entry_id'
'_chem_comp_keyword.comp_id'
stop_
loop_
_category_group.id
'inclusive_group'
'chem_comp'
stop_
save_
save__chem_comp_keyword.keyword
_item_description.description
;
A keyword or brief phrase describing the chemical compound.
;
_item.name '_chem_comp_keyword.keyword'
_item.category_id 'chem_comp_keyword'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__chem_comp_keyword.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_chem_comp_keyword.entry_id'
_item.category_id 'chem_comp_keyword'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__chem_comp_keyword.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_chem_comp_keyword.comp_id'
_item.category_id 'chem_comp_keyword'
_item.mandatory_code yes
_item_type.code 'code'
save_
save_pdbx_chem_comp_feature
_category.description
;
NOT AVAILABLE
;
_category.id 'pdbx_chem_comp_feature'
loop_
_category_key.name
'_pdbx_chem_comp_feature.type'
'_pdbx_chem_comp_feature.value'
'_pdbx_chem_comp_feature.source'
'_pdbx_chem_comp_feature.entry_id'
'_pdbx_chem_comp_feature.comp_id'
stop_
loop_
_category_group.id
'inclusive_group'
'chem_comp'
stop_
save_
save__pdbx_chem_comp_feature.type
_item_description.description
;
The component feature type.
;
_item.name '_pdbx_chem_comp_feature.type'
_item.category_id 'pdbx_chem_comp_feature'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__pdbx_chem_comp_feature.value
_item_description.description
;
The component feature value.
;
_item.name '_pdbx_chem_comp_feature.value'
_item.category_id 'pdbx_chem_comp_feature'
_item.mandatory_code yes
_item_type.code 'text'
save_
save__pdbx_chem_comp_feature.source
_item_description.description
;
The information source for the component feature.
;
_item.name '_pdbx_chem_comp_feature.source'
_item.category_id 'pdbx_chem_comp_feature'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__pdbx_chem_comp_feature.support
_item_description.description
;
The supporting evidence for this feature.
;
_item.name '_pdbx_chem_comp_feature.support'
_item.category_id 'pdbx_chem_comp_feature'
_item.mandatory_code no
_item_type.code 'text'
save_
save__pdbx_chem_comp_feature.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_pdbx_chem_comp_feature.entry_id'
_item.category_id 'pdbx_chem_comp_feature'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__pdbx_chem_comp_feature.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_pdbx_chem_comp_feature.comp_id'
_item.category_id 'pdbx_chem_comp_feature'
_item.mandatory_code yes
_item_type.code 'code'
save_
save_characteristic
_category.description
;
Items in the characteristics category define specific physical characteristics for a chemical component and links to the source of the information.
;
_category.id 'characteristic'
loop_
_category_key.name
'_characteristic.id'
'_characteristic.entry_id'
'_characteristic.comp_id'
stop_
loop_
_category_group.id
'inclusive_group'
'chem_comp'
stop_
save_
save__characteristic.id
_item_description.description
;
A value that uniquely identifies each characteristic provided in the list.
;
_item.name '_characteristic.id'
_item.category_id 'characteristic'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__characteristic.name
_item_description.description
;
Name for the reported characteristic of the chemical component.
;
_item.name '_characteristic.name'
_item.category_id 'characteristic'
_item.mandatory_code yes
_item_type.code 'line'
loop_
_item_examples.case
;
UV absorption maximum
;
stop_
save_
save__characteristic.atom_id
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_characteristic.atom_id'
_item.category_id 'characteristic'
_item.mandatory_code yes
_item_type.code 'atcode'
save_
save__characteristic.chemical_group
_item_description.description
;
Chemical group that is responsible for the observed characteristic of the
chemical component.
;
_item.name '_characteristic.chemical_group'
_item.category_id 'characteristic'
_item.mandatory_code no
_item_type.code 'line'
save_
save__characteristic.val
_item_description.description
;
Value for the defined characteristic of the chemical component.
;
_item.name '_characteristic.val'
_item.category_id 'characteristic'
_item.mandatory_code yes
_item_type.code 'float'
save_
save__characteristic.val_err
_item_description.description
;
Estimated error in the reported characteristic of the chemical component.
;
_item.name '_characteristic.val_err'
_item.category_id 'characteristic'
_item.mandatory_code yes
_item_type.code 'float'
save_
save__characteristic.source
_item_description.description
;
Experimental source for the value reported for the chemical component.
;
_item.name '_characteristic.source'
_item.category_id 'characteristic'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__characteristic.citation_id
_item_description.description
;
Pointer to '_Citation.ID'
;
_item.name '_characteristic.citation_id'
_item.category_id 'characteristic'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__characteristic.citation_label
_item_description.description
;
Pointer to a saveframe of the category citation.
;
_item.name '_characteristic.citation_label'
_item.category_id 'characteristic'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__characteristic.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_characteristic.entry_id'
_item.category_id 'characteristic'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__characteristic.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_characteristic.comp_id'
_item.category_id 'characteristic'
_item.mandatory_code yes
_item_type.code 'code'
save_
save_chem_comp_atom
_category.description
;
Items in the chem_comp_atom category define the atoms in a chemical component, the name for each atom, and characteristics of each atom in the chemical component.
;
_category.id 'chem_comp_atom'
loop_
_category_key.name
'_chem_comp_atom.atom_id'
'_chem_comp_atom.entry_id'
'_chem_comp_atom.comp_id'
stop_
loop_
_category_group.id
'inclusive_group'
'chem_comp'
stop_
save_
save__chem_comp_atom.atom_id
_item_description.description
;
The value of _chem_comp_atom.atom_ID must uniquely identify each atom in
each monomer in the CHEM_COMP_ATOM list.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_chem_comp_atom.atom_id' 'chem_comp_atom' yes
'_bond.atom_id_1' 'bond' yes
'_bond.atom_id_2' 'bond' yes
'_entity_deleted_atom.atom_id' 'entity_deleted_atom' yes
'_angle.atom_id_1' 'angle' yes
'_angle.atom_id_2' 'angle' yes
'_angle.atom_id_3' 'angle' yes
'_torsion_angle.atom_id_1' 'torsion_angle' yes
'_torsion_angle.atom_id_2' 'torsion_angle' yes
'_torsion_angle.atom_id_3' 'torsion_angle' yes
'_torsion_angle.atom_id_4' 'torsion_angle' yes
'_assembly_segment.atom_id' 'assembly_segment' yes
'_author_annotation.atom_id' 'author_annotation' yes
'_entity_atom_list.atom_id' 'entity_atom_list' yes
'_entity_chem_comp_deleted_atom.atom_id' 'entity_chem_comp_deleted_atom' yes
'_entity_bond.atom_id_1' 'entity_bond' yes
'_entity_bond.atom_id_2' 'entity_bond' yes
'_characteristic.atom_id' 'characteristic' yes
'_atom_nomenclature.atom_id' 'atom_nomenclature' yes
'_chem_comp_bond.atom_id_1' 'chem_comp_bond' yes
'_chem_comp_bond.atom_id_2' 'chem_comp_bond' yes
'_chem_comp_tor.atom_id_1' 'chem_comp_tor' yes
'_chem_comp_tor.atom_id_2' 'chem_comp_tor' yes
'_chem_comp_tor.atom_id_3' 'chem_comp_tor' yes
'_chem_comp_tor.atom_id_4' 'chem_comp_tor' yes
'_chem_comp_angle.atom_id_1' 'chem_comp_angle' yes
'_chem_comp_angle.atom_id_2' 'chem_comp_angle' yes
'_chem_comp_angle.atom_id_3' 'chem_comp_angle' yes
'_sample_component_atom_isotope.atom_id' 'sample_component_atom_isotope' yes
'_atom_chem_shift.atom_id' 'atom_chem_shift' yes
'_theoretical_chem_shift.atom_id' 'theoretical_chem_shift' yes
'_coupling_constant.atom_id_1' 'coupling_constant' yes
'_coupling_constant.atom_id_2' 'coupling_constant' yes
'_theoretical_coupling_constant.atom_id_1' 'theoretical_coupling_constant' yes
'_theoretical_coupling_constant.atom_id_2' 'theoretical_coupling_constant' yes
'_assigned_peak_chem_shift.atom_id' 'assigned_peak_chem_shift' yes
'_peak_row_format.atom_id_1' 'peak_row_format' yes
'_peak_row_format.atom_id_2' 'peak_row_format' yes
'_peak_row_format.atom_id_3' 'peak_row_format' yes
'_peak_row_format.atom_id_4' 'peak_row_format' yes
'_peak_row_format.atom_id_5' 'peak_row_format' yes
'_assigned_spectral_transition.atom_id' 'assigned_spectral_transition' yes
'_resonance_assignment.atom_id' 'resonance_assignment' yes
'_isotope_effect.atom_id' 'isotope_effect' yes
'_isotope_label_pattern.atom_id' 'isotope_label_pattern' yes
'_chem_shift_perturbation.atom_id' 'chem_shift_perturbation' yes
'_cs_anisotropy.atom_id' 'cs_anisotropy' yes
'_rdc.atom_id_1' 'rdc' yes
'_rdc.atom_id_2' 'rdc' yes
'_dipolar_coupling.atom_id_1' 'dipolar_coupling' yes
'_dipolar_coupling.atom_id_2' 'dipolar_coupling' yes
'_spectral_density.atom_id' 'spectral_density' yes
'_other_data.atom_id' 'other_data' yes
'_chemical_rate.atom_id' 'chemical_rate' yes
'_h_exch_rate.atom_id' 'h_exch_rate' yes
'_h_exch_protection_factor.atom_id' 'h_exch_protection_factor' yes
'_homonucl_noe.atom_id_1' 'homonucl_noe' yes
'_homonucl_noe.atom_id_2' 'homonucl_noe' yes
'_heteronucl_noe.atom_id_1' 'heteronucl_noe' yes
'_heteronucl_noe.atom_id_2' 'heteronucl_noe' yes
'_theoretical_heteronucl_noe.atom_id_1' 'theoretical_heteronucl_noe' yes
'_theoretical_heteronucl_noe.atom_id_2' 'theoretical_heteronucl_noe' yes
'_t1.atom_id' 't1' yes
'_theoretical_t1.atom_id' 'theoretical_t1' yes
'_t1rho.atom_id' 't1rho' yes
'_t2.atom_id' 't2' yes
'_theoretical_t2.atom_id' 'theoretical_t2' yes
'_auto_relaxation.atom_id' 'auto_relaxation' yes
'_theoretical_auto_relaxation.atom_id' 'theoretical_auto_relaxation' yes
'_dipole_dipole_relax.atom_id_1' 'dipole_dipole_relax' yes
'_dipole_dipole_relax.atom_id_2' 'dipole_dipole_relax' yes
'_cross_correlation_dd.dipole_1_atom_id_1' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_1_atom_id_2' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_2_atom_id_1' 'cross_correlation_dd' yes
'_cross_correlation_dd.dipole_2_atom_id_2' 'cross_correlation_dd' yes
'_theoretical_cross_correlation_dd.dipole_1_atom_id_1' 'theoretical_cross_correlation_dd' yes
'_theoretical_cross_correlation_dd.dipole_1_atom_id_2' 'theoretical_cross_correlation_dd' yes
'_theoretical_cross_correlation_dd.dipole_2_atom_id_1' 'theoretical_cross_correlation_dd' yes
'_theoretical_cross_correlation_dd.dipole_2_atom_id_2' 'theoretical_cross_correlation_dd' yes
'_cross_correlation_d_csa.dipole_atom_id_1' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.dipole_atom_id_2' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.csa_atom_id_1' 'cross_correlation_d_csa' yes
'_cross_correlation_d_csa.csa_atom_id_2' 'cross_correlation_d_csa' yes
'_order_param.atom_id' 'order_param' yes
'_ph_titr_result.atm_obs_atom_id' 'ph_titr_result' yes
'_ph_titr_result.atm_titr_atom_id' 'ph_titr_result' yes
'_d_h_fractionation_factor.atom_id' 'd_h_fractionation_factor' yes
'_binding_result.atm_obs_atom_id' 'binding_result' yes
'_deduced_secd_struct_feature.atom_id' 'deduced_secd_struct_feature' yes
'_deduced_h_bond.donor_atom_id' 'deduced_h_bond' yes
'_deduced_h_bond.heavy_atom_atom_id_1' 'deduced_h_bond' yes
'_deduced_h_bond.heavy_atom_atom_id_2' 'deduced_h_bond' yes
'_deduced_h_bond.h_atom_id' 'deduced_h_bond' yes
'_atom_site.label_atom_id' 'atom_site' yes
'_rep_conf.atom_id' 'rep_conf' yes
'_tertiary_struct.atom_id' 'tertiary_struct' yes
'_bond_annotation.atom_id_1' 'bond_annotation' yes
'_bond_annotation.atom_id_2' 'bond_annotation' yes
'_structure_interaction.atom_id_1' 'structure_interaction' yes
'_structure_interaction.atom_id_2' 'structure_interaction' yes
'_tensor.atom_id' 'tensor' yes
'_interatomic_dist.atom_id_1' 'interatomic_dist' yes
'_interatomic_dist.atom_id_2' 'interatomic_dist' yes
'_gen_dist_constraint.atom_id_1' 'gen_dist_constraint' yes
'_gen_dist_constraint.atom_id_2' 'gen_dist_constraint' yes
'_dist_constraint.atom_id' 'dist_constraint' yes
'_floating_chirality.atom_id_1' 'floating_chirality' yes
'_floating_chirality.atom_id_2' 'floating_chirality' yes
'_torsion_angle_constraint.atom_id_1' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.atom_id_2' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.atom_id_3' 'torsion_angle_constraint' yes
'_torsion_angle_constraint.atom_id_4' 'torsion_angle_constraint' yes
'_rdc_constraint.atom_id_1' 'rdc_constraint' yes
'_rdc_constraint.atom_id_2' 'rdc_constraint' yes
'_j_three_bond_constraint.atom_id_1' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.atom_id_2' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.atom_id_3' 'j_three_bond_constraint' yes
'_j_three_bond_constraint.atom_id_4' 'j_three_bond_constraint' yes
'_ca_cb_constraint.atom_id_1' 'ca_cb_constraint' yes
'_ca_cb_constraint.atom_id_2' 'ca_cb_constraint' yes
'_ca_cb_constraint.atom_id_3' 'ca_cb_constraint' yes
'_ca_cb_constraint.atom_id_4' 'ca_cb_constraint' yes
'_ca_cb_constraint.atom_id_5' 'ca_cb_constraint' yes
'_h_chem_shift_constraint.atom_id' 'h_chem_shift_constraint' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_bond.atom_id_1' '_chem_comp_atom.atom_id'
'_bond.atom_id_2' '_chem_comp_atom.atom_id'
'_entity_deleted_atom.atom_id' '_chem_comp_atom.atom_id'
'_angle.atom_id_1' '_chem_comp_atom.atom_id'
'_angle.atom_id_2' '_chem_comp_atom.atom_id'
'_angle.atom_id_3' '_chem_comp_atom.atom_id'
'_torsion_angle.atom_id_1' '_chem_comp_atom.atom_id'
'_torsion_angle.atom_id_2' '_chem_comp_atom.atom_id'
'_torsion_angle.atom_id_3' '_chem_comp_atom.atom_id'
'_torsion_angle.atom_id_4' '_chem_comp_atom.atom_id'
'_assembly_segment.atom_id' '_chem_comp_atom.atom_id'
'_author_annotation.atom_id' '_chem_comp_atom.atom_id'
'_entity_atom_list.atom_id' '_chem_comp_atom.atom_id'
'_entity_chem_comp_deleted_atom.atom_id' '_chem_comp_atom.atom_id'
'_entity_bond.atom_id_1' '_chem_comp_atom.atom_id'
'_entity_bond.atom_id_2' '_chem_comp_atom.atom_id'
'_characteristic.atom_id' '_chem_comp_atom.atom_id'
'_atom_nomenclature.atom_id' '_chem_comp_atom.atom_id'
'_chem_comp_bond.atom_id_1' '_chem_comp_atom.atom_id'
'_chem_comp_bond.atom_id_2' '_chem_comp_atom.atom_id'
'_chem_comp_tor.atom_id_1' '_chem_comp_atom.atom_id'
'_chem_comp_tor.atom_id_2' '_chem_comp_atom.atom_id'
'_chem_comp_tor.atom_id_3' '_chem_comp_atom.atom_id'
'_chem_comp_tor.atom_id_4' '_chem_comp_atom.atom_id'
'_chem_comp_angle.atom_id_1' '_chem_comp_atom.atom_id'
'_chem_comp_angle.atom_id_2' '_chem_comp_atom.atom_id'
'_chem_comp_angle.atom_id_3' '_chem_comp_atom.atom_id'
'_sample_component_atom_isotope.atom_id' '_chem_comp_atom.atom_id'
'_atom_chem_shift.atom_id' '_chem_comp_atom.atom_id'
'_theoretical_chem_shift.atom_id' '_chem_comp_atom.atom_id'
'_coupling_constant.atom_id_1' '_chem_comp_atom.atom_id'
'_coupling_constant.atom_id_2' '_chem_comp_atom.atom_id'
'_theoretical_coupling_constant.atom_id_1' '_chem_comp_atom.atom_id'
'_theoretical_coupling_constant.atom_id_2' '_chem_comp_atom.atom_id'
'_assigned_peak_chem_shift.atom_id' '_chem_comp_atom.atom_id'
'_peak_row_format.atom_id_1' '_chem_comp_atom.atom_id'
'_peak_row_format.atom_id_2' '_chem_comp_atom.atom_id'
'_peak_row_format.atom_id_3' '_chem_comp_atom.atom_id'
'_peak_row_format.atom_id_4' '_chem_comp_atom.atom_id'
'_peak_row_format.atom_id_5' '_chem_comp_atom.atom_id'
'_assigned_spectral_transition.atom_id' '_chem_comp_atom.atom_id'
'_resonance_assignment.atom_id' '_chem_comp_atom.atom_id'
'_isotope_effect.atom_id' '_chem_comp_atom.atom_id'
'_isotope_label_pattern.atom_id' '_chem_comp_atom.atom_id'
'_chem_shift_perturbation.atom_id' '_chem_comp_atom.atom_id'
'_cs_anisotropy.atom_id' '_chem_comp_atom.atom_id'
'_rdc.atom_id_1' '_chem_comp_atom.atom_id'
'_rdc.atom_id_2' '_chem_comp_atom.atom_id'
'_dipolar_coupling.atom_id_1' '_chem_comp_atom.atom_id'
'_dipolar_coupling.atom_id_2' '_chem_comp_atom.atom_id'
'_spectral_density.atom_id' '_chem_comp_atom.atom_id'
'_other_data.atom_id' '_chem_comp_atom.atom_id'
'_chemical_rate.atom_id' '_chem_comp_atom.atom_id'
'_h_exch_rate.atom_id' '_chem_comp_atom.atom_id'
'_h_exch_protection_factor.atom_id' '_chem_comp_atom.atom_id'
'_homonucl_noe.atom_id_1' '_chem_comp_atom.atom_id'
'_homonucl_noe.atom_id_2' '_chem_comp_atom.atom_id'
'_heteronucl_noe.atom_id_1' '_chem_comp_atom.atom_id'
'_heteronucl_noe.atom_id_2' '_chem_comp_atom.atom_id'
'_theoretical_heteronucl_noe.atom_id_1' '_chem_comp_atom.atom_id'
'_theoretical_heteronucl_noe.atom_id_2' '_chem_comp_atom.atom_id'
'_t1.atom_id' '_chem_comp_atom.atom_id'
'_theoretical_t1.atom_id' '_chem_comp_atom.atom_id'
'_t1rho.atom_id' '_chem_comp_atom.atom_id'
'_t2.atom_id' '_chem_comp_atom.atom_id'
'_theoretical_t2.atom_id' '_chem_comp_atom.atom_id'
'_auto_relaxation.atom_id' '_chem_comp_atom.atom_id'
'_theoretical_auto_relaxation.atom_id' '_chem_comp_atom.atom_id'
'_dipole_dipole_relax.atom_id_1' '_chem_comp_atom.atom_id'
'_dipole_dipole_relax.atom_id_2' '_chem_comp_atom.atom_id'
'_cross_correlation_dd.dipole_1_atom_id_1' '_chem_comp_atom.atom_id'
'_cross_correlation_dd.dipole_1_atom_id_2' '_chem_comp_atom.atom_id'
'_cross_correlation_dd.dipole_2_atom_id_1' '_chem_comp_atom.atom_id'
'_cross_correlation_dd.dipole_2_atom_id_2' '_chem_comp_atom.atom_id'
'_theoretical_cross_correlation_dd.dipole_1_atom_id_1' '_chem_comp_atom.atom_id'
'_theoretical_cross_correlation_dd.dipole_1_atom_id_2' '_chem_comp_atom.atom_id'
'_theoretical_cross_correlation_dd.dipole_2_atom_id_1' '_chem_comp_atom.atom_id'
'_theoretical_cross_correlation_dd.dipole_2_atom_id_2' '_chem_comp_atom.atom_id'
'_cross_correlation_d_csa.dipole_atom_id_1' '_chem_comp_atom.atom_id'
'_cross_correlation_d_csa.dipole_atom_id_2' '_chem_comp_atom.atom_id'
'_cross_correlation_d_csa.csa_atom_id_1' '_chem_comp_atom.atom_id'
'_cross_correlation_d_csa.csa_atom_id_2' '_chem_comp_atom.atom_id'
'_order_param.atom_id' '_chem_comp_atom.atom_id'
'_ph_titr_result.atm_obs_atom_id' '_chem_comp_atom.atom_id'
'_ph_titr_result.atm_titr_atom_id' '_chem_comp_atom.atom_id'
'_d_h_fractionation_factor.atom_id' '_chem_comp_atom.atom_id'
'_binding_result.atm_obs_atom_id' '_chem_comp_atom.atom_id'
'_deduced_secd_struct_feature.atom_id' '_chem_comp_atom.atom_id'
'_deduced_h_bond.donor_atom_id' '_chem_comp_atom.atom_id'
'_deduced_h_bond.heavy_atom_atom_id_1' '_chem_comp_atom.atom_id'
'_deduced_h_bond.heavy_atom_atom_id_2' '_chem_comp_atom.atom_id'
'_deduced_h_bond.h_atom_id' '_chem_comp_atom.atom_id'
'_atom_site.label_atom_id' '_chem_comp_atom.atom_id'
'_rep_conf.atom_id' '_chem_comp_atom.atom_id'
'_tertiary_struct.atom_id' '_chem_comp_atom.atom_id'
'_bond_annotation.atom_id_1' '_chem_comp_atom.atom_id'
'_bond_annotation.atom_id_2' '_chem_comp_atom.atom_id'
'_structure_interaction.atom_id_1' '_chem_comp_atom.atom_id'
'_structure_interaction.atom_id_2' '_chem_comp_atom.atom_id'
'_tensor.atom_id' '_chem_comp_atom.atom_id'
'_interatomic_dist.atom_id_1' '_chem_comp_atom.atom_id'
'_interatomic_dist.atom_id_2' '_chem_comp_atom.atom_id'
'_gen_dist_constraint.atom_id_1' '_chem_comp_atom.atom_id'
'_gen_dist_constraint.atom_id_2' '_chem_comp_atom.atom_id'
'_dist_constraint.atom_id' '_chem_comp_atom.atom_id'
'_floating_chirality.atom_id_1' '_chem_comp_atom.atom_id'
'_floating_chirality.atom_id_2' '_chem_comp_atom.atom_id'
'_torsion_angle_constraint.atom_id_1' '_chem_comp_atom.atom_id'
'_torsion_angle_constraint.atom_id_2' '_chem_comp_atom.atom_id'
'_torsion_angle_constraint.atom_id_3' '_chem_comp_atom.atom_id'
'_torsion_angle_constraint.atom_id_4' '_chem_comp_atom.atom_id'
'_rdc_constraint.atom_id_1' '_chem_comp_atom.atom_id'
'_rdc_constraint.atom_id_2' '_chem_comp_atom.atom_id'
'_j_three_bond_constraint.atom_id_1' '_chem_comp_atom.atom_id'
'_j_three_bond_constraint.atom_id_2' '_chem_comp_atom.atom_id'
'_j_three_bond_constraint.atom_id_3' '_chem_comp_atom.atom_id'
'_j_three_bond_constraint.atom_id_4' '_chem_comp_atom.atom_id'
'_ca_cb_constraint.atom_id_1' '_chem_comp_atom.atom_id'
'_ca_cb_constraint.atom_id_2' '_chem_comp_atom.atom_id'
'_ca_cb_constraint.atom_id_3' '_chem_comp_atom.atom_id'
'_ca_cb_constraint.atom_id_4' '_chem_comp_atom.atom_id'
'_ca_cb_constraint.atom_id_5' '_chem_comp_atom.atom_id'
'_h_chem_shift_constraint.atom_id' '_chem_comp_atom.atom_id'
stop_
_item_type.code 'atcode'
save_
save__chem_comp_atom.bmrb_code
_item_description.description
;
A code assigned to the atom by BMRB that is unique within the chemical compound.
;
_item.name '_chem_comp_atom.bmrb_code'
_item.category_id 'chem_comp_atom'
_item.mandatory_code no
_item_type.code 'atcode'
save_
save__chem_comp_atom.pdb_atom_id
_item_description.description
;
Name given to the atom by the PDB.
;
_item.name '_chem_comp_atom.pdb_atom_id'
_item.category_id 'chem_comp_atom'
_item.mandatory_code no
_item_type.code 'atcode'
save_
save__chem_comp_atom.alt_atom_id
_item_description.description
;
An alternative identifier for the atom. This data item would be used in
cases where alternative nomenclatures exist for labelling atoms in a group.
;
_item.name '_chem_comp_atom.alt_atom_id'
_item.category_id 'chem_comp_atom'
_item.mandatory_code no
_item_type.code 'atcode'
save_
save__chem_comp_atom.auth_atom_id
_item_description.description
;
An alternative identifier for Atom_ID that may be provided by an author
in order to match that used in the publication that describes the experimental data.
;
_item.name '_chem_comp_atom.auth_atom_id'
_item.category_id 'chem_comp_atom'
_item.mandatory_code no
_item_type.code 'code'
loop_
_item_examples.case
;
HB1
;
stop_
save_
save__chem_comp_atom.type_symbol
_item_description.description
;
The IUPAC symbol used for the atom (H; C; P; O; S).
;
_item.name '_chem_comp_atom.type_symbol'
_item.category_id 'chem_comp_atom'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__chem_comp_atom.isotope_number
_item_description.description
;
Mass number assigned to the atom.
;
_item.name '_chem_comp_atom.isotope_number'
_item.category_id 'chem_comp_atom'
_item.mandatory_code no
_item_type.code 'int'
save_
save__chem_comp_atom.chirality
_item_description.description
;
The chiral or prochiral characteristic of the atom.
;
_item.name '_chem_comp_atom.chirality'
_item.category_id 'chem_comp_atom'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag yes
_item_type.code 'code'
loop_
_item_enumeration.value
_item_enumeration.detail
N 'atom is not a chiral center'
E '(E)- alkene (German, entgegen = opposite)'
Z '(Z)- alkene (German, zusammen = together)'
R 'rectus - right handed configuration'
S 'sinister - left handed configuration'
pro-R 'If substituted for a higher molecular weight entity will make the attached atom an R chiral center'
pro-S 'If substituted for a higher molecular weight entity will make the attached atom an S chiral center'
stop_
loop_
_item_examples.case
;
R;S;E;Z;pro-R;pro-S
;
stop_
save_
save__chem_comp_atom.stereo_config
_item_description.description
;
The chiral configuration of the atom that is a chiral center.
;
_item.name '_chem_comp_atom.stereo_config'
_item.category_id 'chem_comp_atom'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag yes
_item_type.code 'ucode'
loop_
_item_enumeration.value
_item_enumeration.detail
N 'atom is not a chiral center'
E '(E)- alkene (German, entgegen = opposite)'
Z '(Z)- alkene (German, zusammen = together)'
R 'rectus - right handed configuration'
S 'sinister - left handed configuration'
stop_
loop_
_item_examples.case
;
E;Z;N
;
stop_
save_
save__chem_comp_atom.charge
_item_description.description
;
The net integer charge assigned to this atom. This is the formal charge
assignment normally found in chemical diagrams.
;
_item.name '_chem_comp_atom.charge'
_item.category_id 'chem_comp_atom'
_item.mandatory_code no
_item_type.code 'code'
save_
save__chem_comp_atom.partial_charge
_item_description.description
;
The partial charge assigned to this atom.
;
_item.name '_chem_comp_atom.partial_charge'
_item.category_id 'chem_comp_atom'
_item.mandatory_code no
_item_type.code 'float'
save_
save__chem_comp_atom.oxidation_number
_item_description.description
;
The oxidation number for the atom.
;
_item.name '_chem_comp_atom.oxidation_number'
_item.category_id 'chem_comp_atom'
_item.mandatory_code no
_item_type.code 'code'
save_
save__chem_comp_atom.unpaired_electron_number
_item_description.description
;
The number of unpaired electrons on the atom.
;
_item.name '_chem_comp_atom.unpaired_electron_number'
_item.category_id 'chem_comp_atom'
_item.mandatory_code no
_item_type.code 'int'
save_
save__chem_comp_atom.align
_item_description.description
;
Determines which column the atom name appears within the PDB coordinate
files. The possible values are 0 or 1.
;
_item.name '_chem_comp_atom.align'
_item.category_id 'chem_comp_atom'
_item.mandatory_code no
_item_type.code 'int'
save_
save__chem_comp_atom.aromatic_flag
_item_description.description
;
A flag indicating an aromatic atom.
;
_item.name '_chem_comp_atom.aromatic_flag'
_item.category_id 'chem_comp_atom'
_item.mandatory_code no
_item_type.code 'yes_no'
loop_
_item_enumeration.value
_item_enumeration.detail
yes ?
no ?
stop_
loop_
_item_examples.case
;
yes
;
stop_
save_
save__chem_comp_atom.leaving_atom_flag
_item_description.description
;
A flag indicating a leaving atom.
;
_item.name '_chem_comp_atom.leaving_atom_flag'
_item.category_id 'chem_comp_atom'
_item.mandatory_code no
_item_type.code 'yes_no'
loop_
_item_enumeration.value
_item_enumeration.detail
yes ?
no ?
stop_
save_
save__chem_comp_atom.substruct_code
_item_description.description
;
This data item assigns the atom to a substructure of the component, if
appropriate.
;
_item.name '_chem_comp_atom.substruct_code'
_item.category_id 'chem_comp_atom'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag yes
_item_type.code 'ucode'
loop_
_item_enumeration.value
_item_enumeration.detail
main 'main chain of an amino acid'
side 'side chain of an amino acid'
base 'base of a nucleic acid'
phos 'phosphate of a nucleic acid'
sugar 'sugar of a nucleic acid'
none 'not appropriate for this monomer'
stop_
save_
save__chem_comp_atom.ionizable
_item_description.description
;
A code indicating the potential for the atom to be in an ionized state.
;
_item.name '_chem_comp_atom.ionizable'
_item.category_id 'chem_comp_atom'
_item.mandatory_code no
_item_type.code 'yes_no'
loop_
_item_enumeration.value
_item_enumeration.detail
yes ?
no ?
stop_
save_
save__chem_comp_atom.drawing_2d_coord_x
_item_description.description
;
X coordinate of a data point in a two-dimensional drawing of the chemical
compound.
;
_item.name '_chem_comp_atom.drawing_2d_coord_x'
_item.category_id 'chem_comp_atom'
_item.mandatory_code no
_item_type.code 'float'
save_
save__chem_comp_atom.drawing_2d_coord_y
_item_description.description
;
Y coordinate of a data point in a two-dimensional drawing of the chemical
compound.
;
_item.name '_chem_comp_atom.drawing_2d_coord_y'
_item.category_id 'chem_comp_atom'
_item.mandatory_code no
_item_type.code 'float'
save_
save__chem_comp_atom.model_cartn_x
_item_description.description
;
X coordinate in a Cartesian system for an atom in the chemical compound.
;
_item.name '_chem_comp_atom.model_cartn_x'
_item.category_id 'chem_comp_atom'
_item.mandatory_code no
_item_type.code 'float'
save_
save__chem_comp_atom.model_cartn_x_esd
_item_description.description
;
The standard uncertainty (estimated standard deviation) of _chem_comp_atom.model_Cartn_x.
;
_item.name '_chem_comp_atom.model_cartn_x_esd'
_item.category_id 'chem_comp_atom'
_item.mandatory_code no
_item_type.code 'float'
save_
save__chem_comp_atom.model_cartn_y
_item_description.description
;
Y coordinate in a Cartesian system for an atom in the chemical compound.
;
_item.name '_chem_comp_atom.model_cartn_y'
_item.category_id 'chem_comp_atom'
_item.mandatory_code no
_item_type.code 'float'
save_
save__chem_comp_atom.model_cartn_y_esd
_item_description.description
;
The standard uncertainty (estimated standard deviation) of _chem_comp_atom.model_Cartn_y.
;
_item.name '_chem_comp_atom.model_cartn_y_esd'
_item.category_id 'chem_comp_atom'
_item.mandatory_code no
_item_type.code 'float'
save_
save__chem_comp_atom.model_cartn_z
_item_description.description
;
Z coordinate in a Cartesian system for an atom in the chemical compound.
;
_item.name '_chem_comp_atom.model_cartn_z'
_item.category_id 'chem_comp_atom'
_item.mandatory_code no
_item_type.code 'float'
save_
save__chem_comp_atom.model_cartn_z_esd
_item_description.description
;
The standard uncertainty (estimated standard deviation) of _chem_comp_atom.model_Cartn_z.
;
_item.name '_chem_comp_atom.model_cartn_z_esd'
_item.category_id 'chem_comp_atom'
_item.mandatory_code no
_item_type.code 'float'
save_
save__chem_comp_atom.model_cartn_x_ideal
_item_description.description
;
Computed idealized coordinates, x component of the vector (in Angstroms)
;
_item.name '_chem_comp_atom.model_cartn_x_ideal'
_item.category_id 'chem_comp_atom'
_item.mandatory_code no
_item_type.code 'float'
save_
save__chem_comp_atom.model_cartn_y_ideal
_item_description.description
;
Computed idealized coordinates, y component of the vector (in Angstroms)
;
_item.name '_chem_comp_atom.model_cartn_y_ideal'
_item.category_id 'chem_comp_atom'
_item.mandatory_code no
_item_type.code 'float'
save_
save__chem_comp_atom.model_cartn_z_ideal
_item_description.description
;
Computed idealized coordinates, z component of the vector (in Angstroms)
;
_item.name '_chem_comp_atom.model_cartn_z_ideal'
_item.category_id 'chem_comp_atom'
_item.mandatory_code no
_item_type.code 'float'
save_
save__chem_comp_atom.pdbx_ordinal
_item_description.description
;
Ordinal index for the chemical component atom list.
;
_item.name '_chem_comp_atom.pdbx_ordinal'
_item.category_id 'chem_comp_atom'
_item.mandatory_code no
_item_type.code 'int'
save_
save__chem_comp_atom.details
_item_description.description
;
Text providing additional information about the atom.
;
_item.name '_chem_comp_atom.details'
_item.category_id 'chem_comp_atom'
_item.mandatory_code no
_item_type.code 'text'
save_
save__chem_comp_atom.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_chem_comp_atom.entry_id'
_item.category_id 'chem_comp_atom'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__chem_comp_atom.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_chem_comp_atom.comp_id'
_item.category_id 'chem_comp_atom'
_item.mandatory_code yes
_item_type.code 'code'
save_
save_atom_nomenclature
_category.description
;
Items in the atom_nomenclature category define alternative atom nomenclature for the atoms in a chemical compound.
;
_category.id 'atom_nomenclature'
loop_
_category_key.name
'_atom_nomenclature.atom_id'
'_atom_nomenclature.entry_id'
'_atom_nomenclature.comp_id'
stop_
loop_
_category_group.id
'inclusive_group'
'chem_comp'
stop_
save_
save__atom_nomenclature.atom_id
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_atom_nomenclature.atom_id'
_item.category_id 'atom_nomenclature'
_item.mandatory_code yes
_item_type.code 'atcode'
save_
save__atom_nomenclature.atom_name
_item_description.description
;
Alternate atom name defined by an organization or official body.
;
_item.name '_atom_nomenclature.atom_name'
_item.category_id 'atom_nomenclature'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__atom_nomenclature.naming_system
_item_description.description
;
The name of the systematic atom nomenclature.
;
_item.name '_atom_nomenclature.naming_system'
_item.category_id 'atom_nomenclature'
_item.mandatory_code no
_item_type.code 'line'
save_
save__atom_nomenclature.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_atom_nomenclature.entry_id'
_item.category_id 'atom_nomenclature'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__atom_nomenclature.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_atom_nomenclature.comp_id'
_item.category_id 'atom_nomenclature'
_item.mandatory_code yes
_item_type.code 'code'
save_
save_chem_comp_bond
_category.description
;
Items in the chem_comp_bond category define the chemical bonds in a chemical component.
;
_category.id 'chem_comp_bond'
loop_
_category_key.name
'_chem_comp_bond.id'
'_chem_comp_bond.entry_id'
'_chem_comp_bond.comp_id'
stop_
loop_
_category_group.id
'inclusive_group'
'chem_comp'
stop_
save_
save__chem_comp_bond.id
_item_description.description
;
The value of _chem_comp_bond.id must uniquely identify a record in the
Chem_comp_bond list.
;
_item.name '_chem_comp_bond.id'
_item.category_id 'chem_comp_bond'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__chem_comp_bond.type
_item_description.description
;
A common chemical bond descriptive name.
;
_item.name '_chem_comp_bond.type'
_item.category_id 'chem_comp_bond'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
amide ?
covalent ?
directed ?
disulfide ?
ester ?
ether ?
hydrogen ?
'metal coordination' ?
peptide ?
thioether ?
stop_
save_
save__chem_comp_bond.value_order
_item_description.description
;
The value that should be taken as the target for the chemical bond associated
with the specified atoms, expressed as a bond order.
;
_item.name '_chem_comp_bond.value_order'
_item.category_id 'chem_comp_bond'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag yes
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
SING 'single bond'
DOUB 'double bond'
TRIP 'triple bond'
QUAD 'quadruple bond'
AROM 'aromatic bond'
POLY 'polymeric bond'
DELO 'delocalized double bond'
PI 'pi bond'
DIRECTED 'N ->O'
stop_
save_
save__chem_comp_bond.atom_id_1
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_chem_comp_bond.atom_id_1'
_item.category_id 'chem_comp_bond'
_item.mandatory_code yes
_item_type.code 'atcode'
save_
save__chem_comp_bond.atom_id_2
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_chem_comp_bond.atom_id_2'
_item.category_id 'chem_comp_bond'
_item.mandatory_code yes
_item_type.code 'atcode'
save_
save__chem_comp_bond.aromatic_flag
_item_description.description
;
A flag indicating an aromatic bond.
;
_item.name '_chem_comp_bond.aromatic_flag'
_item.category_id 'chem_comp_bond'
_item.mandatory_code no
_item_type.code 'yes_no'
loop_
_item_enumeration.value
_item_enumeration.detail
yes 'Yes - an aromatic bond'
no 'No - not an aromatic bond'
stop_
loop_
_item_examples.case
;
no
;
stop_
save_
save__chem_comp_bond.stereo_config
_item_description.description
;
Stereochemical configuration across a double bond.
;
_item.name '_chem_comp_bond.stereo_config'
_item.category_id 'chem_comp_bond'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag yes
_item_type.code 'ucode'
loop_
_item_enumeration.value
_item_enumeration.detail
E 'zusammen for together'
Z 'entgegen for opposite'
N 'none'
stop_
loop_
_item_examples.case
;
E
;
stop_
save_
save__chem_comp_bond.ordinal
_item_description.description
;
Ordinal index for the component bond list.
;
_item.name '_chem_comp_bond.ordinal'
_item.category_id 'chem_comp_bond'
_item.mandatory_code no
_item_type.code 'int'
loop_
_item_examples.case
;
1
;
stop_
save_
save__chem_comp_bond.details
_item_description.description
;
A text description of the bond.
;
_item.name '_chem_comp_bond.details'
_item.category_id 'chem_comp_bond'
_item.mandatory_code no
_item_type.code 'text'
save_
save__chem_comp_bond.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_chem_comp_bond.entry_id'
_item.category_id 'chem_comp_bond'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__chem_comp_bond.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_chem_comp_bond.comp_id'
_item.category_id 'chem_comp_bond'
_item.mandatory_code yes
_item_type.code 'code'
save_
save_chem_comp_tor
_category.description
;
Items in the chem_comp_tor category define the torsion angles in a chemical component.
;
_category.id 'chem_comp_tor'
loop_
_category_key.name
'_chem_comp_tor.id'
'_chem_comp_tor.entry_id'
'_chem_comp_tor.comp_id'
stop_
loop_
_category_group.id
'inclusive_group'
'chem_comp'
stop_
save_
save__chem_comp_tor.id
_item_description.description
;
The value of _chem_comp_tor.id must uniquely identify a record in the Chem_comp_tor
list.
;
_item.name '_chem_comp_tor.id'
_item.category_id 'chem_comp_tor'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__chem_comp_tor.atom_id_1
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_chem_comp_tor.atom_id_1'
_item.category_id 'chem_comp_tor'
_item.mandatory_code yes
_item_type.code 'atcode'
save_
save__chem_comp_tor.atom_id_2
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_chem_comp_tor.atom_id_2'
_item.category_id 'chem_comp_tor'
_item.mandatory_code yes
_item_type.code 'atcode'
save_
save__chem_comp_tor.atom_id_3
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_chem_comp_tor.atom_id_3'
_item.category_id 'chem_comp_tor'
_item.mandatory_code yes
_item_type.code 'atcode'
save_
save__chem_comp_tor.atom_id_4
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_chem_comp_tor.atom_id_4'
_item.category_id 'chem_comp_tor'
_item.mandatory_code yes
_item_type.code 'atcode'
save_
save__chem_comp_tor.details
_item_description.description
;
A text description of the torsion angle.
;
_item.name '_chem_comp_tor.details'
_item.category_id 'chem_comp_tor'
_item.mandatory_code no
_item_type.code 'text'
save_
save__chem_comp_tor.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_chem_comp_tor.entry_id'
_item.category_id 'chem_comp_tor'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__chem_comp_tor.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_chem_comp_tor.comp_id'
_item.category_id 'chem_comp_tor'
_item.mandatory_code yes
_item_type.code 'code'
save_
save_chem_comp_angle
_category.description
;
Items in the chem_comp_angle category define the two bond angles in a chemical component.
;
_category.id 'chem_comp_angle'
loop_
_category_key.name
'_chem_comp_angle.id'
'_chem_comp_angle.entry_id'
'_chem_comp_angle.comp_id'
stop_
loop_
_category_group.id
'inclusive_group'
'chem_comp'
stop_
save_
save__chem_comp_angle.id
_item_description.description
;
The value of _chem_comp_angle.id must uniquely identify a record in the
Chem_comp_tor list.
;
_item.name '_chem_comp_angle.id'
_item.category_id 'chem_comp_angle'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__chem_comp_angle.atom_id_1
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_chem_comp_angle.atom_id_1'
_item.category_id 'chem_comp_angle'
_item.mandatory_code yes
_item_type.code 'atcode'
save_
save__chem_comp_angle.atom_id_2
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_chem_comp_angle.atom_id_2'
_item.category_id 'chem_comp_angle'
_item.mandatory_code yes
_item_type.code 'atcode'
save_
save__chem_comp_angle.atom_id_3
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_chem_comp_angle.atom_id_3'
_item.category_id 'chem_comp_angle'
_item.mandatory_code yes
_item_type.code 'atcode'
save_
save__chem_comp_angle.details
_item_description.description
;
Text providing additional information regarding the angle formed by the
three atoms.
;
_item.name '_chem_comp_angle.details'
_item.category_id 'chem_comp_angle'
_item.mandatory_code no
_item_type.code 'text'
save_
save__chem_comp_angle.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_chem_comp_angle.entry_id'
_item.category_id 'chem_comp_angle'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__chem_comp_angle.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_chem_comp_angle.comp_id'
_item.category_id 'chem_comp_angle'
_item.mandatory_code yes
_item_type.code 'code'
save_
save_chem_comp_db_link
_category.description
;
Items in the chem_comp_db_link category provide the names of databases and accession numbers for entries in the databases that are related to a chemical component and information about the linked entry.
;
_category.id 'chem_comp_db_link'
loop_
_category_key.name
'_chem_comp_db_link.database_code'
'_chem_comp_db_link.accession_code'
'_chem_comp_db_link.entry_id'
'_chem_comp_db_link.comp_id'
stop_
loop_
_category_group.id
'inclusive_group'
'chem_comp'
stop_
save_
save__chem_comp_db_link.author_supplied
_item_description.description
;
A code indicating if the database link was provided by the author of the
deposition (yes) or by another source (no).
;
_item.name '_chem_comp_db_link.author_supplied'
_item.category_id 'chem_comp_db_link'
_item.mandatory_code no
_item_type.code 'yes_no'
loop_
_item_enumeration.value
_item_enumeration.detail
yes ?
no ?
stop_
save_
save__chem_comp_db_link.database_code
_item_description.description
;
Enter the abbreviation or acronym for the database site for the entry for
the chemical compound.
;
_item.name '_chem_comp_db_link.database_code'
_item.category_id 'chem_comp_db_link'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
# loop_
# _item_enumeration.value
# _item_enumeration.detail
# BMRB/XML: Eliminated the following enumerations.
# CDDC ?
# PDB "PDB ligand library"
# 'PubChem SID' "NCBI PubChem substance ID"
# 'PubChem CID' "NCBI PubChem chemical ID"
# KEGG "Kyoto Encyclopedia of Genes and Genomes"
#
# stop_
loop_
_item_examples.case
;
PDB
;
stop_
save_
save__chem_comp_db_link.accession_code
_item_description.description
;
Enter the accession code for the chemical compound from the database listed.
;
_item.name '_chem_comp_db_link.accession_code'
_item.category_id 'chem_comp_db_link'
_item.mandatory_code yes
_item_type.code 'line'
loop_
_item_examples.case
;
HEM
;
stop_
save_
save__chem_comp_db_link.accession_code_type
_item_description.description
;
The type of accession code reported.
;
_item.name '_chem_comp_db_link.accession_code_type'
_item.category_id 'chem_comp_db_link'
_item.mandatory_code no
_item_type.code 'line'
save_
save__chem_comp_db_link.entry_mol_code
_item_description.description
;
Code used by the database for the molecule.
;
_item.name '_chem_comp_db_link.entry_mol_code'
_item.category_id 'chem_comp_db_link'
_item.mandatory_code no
_item_type.code 'line'
save_
save__chem_comp_db_link.entry_mol_name
_item_description.description
;
Name given by the database to the molecule.
;
_item.name '_chem_comp_db_link.entry_mol_name'
_item.category_id 'chem_comp_db_link'
_item.mandatory_code no
_item_type.code 'line'
save_
save__chem_comp_db_link.entry_experimental_method
_item_description.description
;
If appropriate, list the experimental technique (NMR, mass spectrometry,
X-ray crystallography) that was used to collect the data in the entry at the database
listed.
;
_item.name '_chem_comp_db_link.entry_experimental_method'
_item.category_id 'chem_comp_db_link'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
NMR
;
stop_
save_
save__chem_comp_db_link.entry_relation_type
_item_description.description
;
Describe the relationship between the entry in the listed database and
this BMRB entry. This might include the physical properties of the compound or
the position of the compound in a metabolic pathway, for example.
;
_item.name '_chem_comp_db_link.entry_relation_type'
_item.category_id 'chem_comp_db_link'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
Physical properties of the compound
;
stop_
save_
save__chem_comp_db_link.entry_details
_item_description.description
;
If appropriate, additional text information regarding the entry in the
listed database can be entered in this field.
;
_item.name '_chem_comp_db_link.entry_details'
_item.category_id 'chem_comp_db_link'
_item.mandatory_code no
_item_type.code 'text'
loop_
_item_examples.case
;
A variety of physical parameters are available from this site, including pKa values and UV absorption data for protoporphyrin IX.
;
stop_
save_
save__chem_comp_db_link.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_chem_comp_db_link.entry_id'
_item.category_id 'chem_comp_db_link'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__chem_comp_db_link.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_chem_comp_db_link.comp_id'
_item.category_id 'chem_comp_db_link'
_item.mandatory_code yes
_item_type.code 'code'
save_
save_chem_comp_citation
_category.description
;
Items in the chem_comp_citation category provide pointers to the citations category where information defining citations that describe a chemical component can be found.
;
_category.id 'chem_comp_citation'
loop_
_category_key.name
'_chem_comp_citation.citation_id'
'_chem_comp_citation.entry_id'
'_chem_comp_citation.comp_id'
stop_
loop_
_category_group.id
'inclusive_group'
'chem_comp'
stop_
save_
save__chem_comp_citation.citation_id
_item_description.description
;
Pointer to '_Citation.ID'
;
_item.name '_chem_comp_citation.citation_id'
_item.category_id 'chem_comp_citation'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__chem_comp_citation.citation_label
_item_description.description
;
Pointer to a saveframe of the category citation.
;
_item.name '_chem_comp_citation.citation_label'
_item.category_id 'chem_comp_citation'
_item.mandatory_code yes
_item_type.code 'framecode'
loop_
_item_examples.case
;
citation 1
;
stop_
save_
save__chem_comp_citation.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_chem_comp_citation.entry_id'
_item.category_id 'chem_comp_citation'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__chem_comp_citation.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_chem_comp_citation.comp_id'
_item.category_id 'chem_comp_citation'
_item.mandatory_code yes
_item_type.code 'code'
save_
save_sample
_category.description
;
Items in the sample category describe the characteristics of the samples used to collect experimental data.
;
_category.id 'sample'
_category.mandatory_code yes
loop_
_category_key.name
'_sample.entry_id'
'_sample.id'
stop_
loop_
_category_group.id
'inclusive_group'
'sample'
stop_
save_
save__sample.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_sample.sf_category'
_item.category_id 'sample'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__sample.sf_framecode
_item_description.description
;
A value that uniquely identifies this sample from the other samples listed
in the entry.
;
_item.name '_sample.sf_framecode'
_item.category_id 'sample'
_item.mandatory_code yes
_item_type.code 'framecode'
_item_default.value 'sample_1'
save_
save__sample.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_sample.entry_id'
_item.category_id 'sample'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__sample.id
_item_description.description
;
A value that uniquely identifies the sample described from the other samples
listed in the entry.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_sample.id' 'sample' yes
'_sample_component.sample_id' 'sample_component' yes
'_sample_component_atom_isotope.sample_id' 'sample_component_atom_isotope' yes
'_sample_citation.sample_id' 'sample_citation' yes
'_entity_purity.sample_id' 'entity_purity' yes
'_experiment.sample_id' 'experiment' yes
'_chem_shift_experiment.sample_id' 'chem_shift_experiment' yes
'_coupling_constant_experiment.sample_id' 'coupling_constant_experiment' yes
'_theoretical_coupling_constant_experiment.sample_id' 'theoretical_coupling_constant_experiment' yes
'_spectral_peak_list.sample_id' 'spectral_peak_list' yes
'_isotope_effect_experiment.sample_id' 'isotope_effect_experiment' yes
'_isotope_effect.label_sample_id_1' 'isotope_effect' yes
'_isotope_effect.label_sample_id_2' 'isotope_effect' yes
'_chem_shift_perturbation_experiment.sample_id' 'chem_shift_perturbation_experiment' yes
'_cs_anisotropy_experiment.sample_id' 'cs_anisotropy_experiment' yes
'_rdc_experiment.sample_id' 'rdc_experiment' yes
'_dipolar_coupling_experiment.sample_id' 'dipolar_coupling_experiment' yes
'_spectral_density_experiment.sample_id' 'spectral_density_experiment' yes
'_other_data_experiment.sample_id' 'other_data_experiment' yes
'_chemical_rate_experiment.sample_id' 'chemical_rate_experiment' yes
'_h_exch_rate_experiment.sample_id' 'h_exch_rate_experiment' yes
'_h_exch_protection_fact_experiment.sample_id' 'h_exch_protection_fact_experiment' yes
'_homonucl_noe_experiment.sample_id' 'homonucl_noe_experiment' yes
'_heteronucl_noe_experiment.sample_id' 'heteronucl_noe_experiment' yes
'_theoretical_heteronucl_noe_experiment.sample_id' 'theoretical_heteronucl_noe_experiment' yes
'_heteronucl_t1_experiment.sample_id' 'heteronucl_t1_experiment' yes
'_theoretical_heteronucl_t1_experiment.sample_id' 'theoretical_heteronucl_t1_experiment' yes
'_heteronucl_t1rho_experiment.sample_id' 'heteronucl_t1rho_experiment' yes
'_heteronucl_t2_experiment.sample_id' 'heteronucl_t2_experiment' yes
'_theoretical_heteronucl_t2_experiment.sample_id' 'theoretical_heteronucl_t2_experiment' yes
'_auto_relaxation_experiment.sample_id' 'auto_relaxation_experiment' yes
'_theoretical_auto_relaxation_experiment.sample_id' 'theoretical_auto_relaxation_experiment' yes
'_dipole_dipole_relax_experiment.sample_id' 'dipole_dipole_relax_experiment' yes
'_cross_correlation_dd_experiment.sample_id' 'cross_correlation_dd_experiment' yes
'_theoretical_cross_correlation_dd_experiment.sample_id' 'theoretical_cross_correlation_dd_experiment' yes
'_cross_correlation_d_csa_experiment.sample_id' 'cross_correlation_d_csa_experiment' yes
'_order_parameter_experiment.sample_id' 'order_parameter_experiment' yes
'_ph_titration_experiment.sample_id' 'ph_titration_experiment' yes
'_d_h_fract_factor_experiment.sample_id' 'd_h_fract_factor_experiment' yes
'_binding_experiment.sample_id' 'binding_experiment' yes
'_deduced_secd_struct_experiment.sample_id' 'deduced_secd_struct_experiment' yes
'_deduced_h_bond_experiment.sample_id' 'deduced_h_bond_experiment' yes
'_conformer_family_coord_set_expt.sample_id' 'conformer_family_coord_set_expt' yes
'_gen_dist_constraint_expt.sample_id' 'gen_dist_constraint_expt' yes
'_distance_constraint_expt.sample_id' 'distance_constraint_expt' yes
'_torsion_angle_constraints_expt.sample_id' 'torsion_angle_constraints_expt' yes
'_rdc_constraint_expt.sample_id' 'rdc_constraint_expt' yes
'_j_three_bond_constraint_expt.sample_id' 'j_three_bond_constraint_expt' yes
'_ca_cb_constraint_expt.sample_id' 'ca_cb_constraint_expt' yes
'_h_chem_shift_constraint_expt.sample_id' 'h_chem_shift_constraint_expt' yes
'_saxs_constraint_expt.sample_id' 'saxs_constraint_expt' yes
'_other_constraint_expt.sample_id' 'other_constraint_expt' yes
'_mz_ratio_experiment.sample_id' 'mz_ratio_experiment' yes
'_ms_chromatogram_experiment.sample_id' 'ms_chromatogram_experiment' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_sample_component.sample_id' '_sample.id'
'_sample_component_atom_isotope.sample_id' '_sample.id'
'_sample_citation.sample_id' '_sample.id'
'_entity_purity.sample_id' '_sample.id'
'_experiment.sample_id' '_sample.id'
'_chem_shift_experiment.sample_id' '_sample.id'
'_coupling_constant_experiment.sample_id' '_sample.id'
'_theoretical_coupling_constant_experiment.sample_id' '_sample.id'
'_spectral_peak_list.sample_id' '_sample.id'
'_isotope_effect_experiment.sample_id' '_sample.id'
'_isotope_effect.label_sample_id_1' '_sample.id'
'_isotope_effect.label_sample_id_2' '_sample.id'
'_chem_shift_perturbation_experiment.sample_id' '_sample.id'
'_cs_anisotropy_experiment.sample_id' '_sample.id'
'_rdc_experiment.sample_id' '_sample.id'
'_dipolar_coupling_experiment.sample_id' '_sample.id'
'_spectral_density_experiment.sample_id' '_sample.id'
'_other_data_experiment.sample_id' '_sample.id'
'_chemical_rate_experiment.sample_id' '_sample.id'
'_h_exch_rate_experiment.sample_id' '_sample.id'
'_h_exch_protection_fact_experiment.sample_id' '_sample.id'
'_homonucl_noe_experiment.sample_id' '_sample.id'
'_heteronucl_noe_experiment.sample_id' '_sample.id'
'_theoretical_heteronucl_noe_experiment.sample_id' '_sample.id'
'_heteronucl_t1_experiment.sample_id' '_sample.id'
'_theoretical_heteronucl_t1_experiment.sample_id' '_sample.id'
'_heteronucl_t1rho_experiment.sample_id' '_sample.id'
'_heteronucl_t2_experiment.sample_id' '_sample.id'
'_theoretical_heteronucl_t2_experiment.sample_id' '_sample.id'
'_auto_relaxation_experiment.sample_id' '_sample.id'
'_theoretical_auto_relaxation_experiment.sample_id' '_sample.id'
'_dipole_dipole_relax_experiment.sample_id' '_sample.id'
'_cross_correlation_dd_experiment.sample_id' '_sample.id'
'_theoretical_cross_correlation_dd_experiment.sample_id' '_sample.id'
'_cross_correlation_d_csa_experiment.sample_id' '_sample.id'
'_order_parameter_experiment.sample_id' '_sample.id'
'_ph_titration_experiment.sample_id' '_sample.id'
'_d_h_fract_factor_experiment.sample_id' '_sample.id'
'_binding_experiment.sample_id' '_sample.id'
'_deduced_secd_struct_experiment.sample_id' '_sample.id'
'_deduced_h_bond_experiment.sample_id' '_sample.id'
'_conformer_family_coord_set_expt.sample_id' '_sample.id'
'_gen_dist_constraint_expt.sample_id' '_sample.id'
'_distance_constraint_expt.sample_id' '_sample.id'
'_torsion_angle_constraints_expt.sample_id' '_sample.id'
'_rdc_constraint_expt.sample_id' '_sample.id'
'_j_three_bond_constraint_expt.sample_id' '_sample.id'
'_ca_cb_constraint_expt.sample_id' '_sample.id'
'_h_chem_shift_constraint_expt.sample_id' '_sample.id'
'_saxs_constraint_expt.sample_id' '_sample.id'
'_other_constraint_expt.sample_id' '_sample.id'
'_mz_ratio_experiment.sample_id' '_sample.id'
'_ms_chromatogram_experiment.sample_id' '_sample.id'
stop_
_item_type.code 'int'
save_
save__sample.name
_item_description.description
;
A name assigned to the save frame.
;
_item.name '_sample.name'
_item.category_id 'sample'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
13C 15N sample
;
stop_
save_
save__sample.type
_item_description.description
;
A descriptive term for the sample that defines the general physical properties
of the sample.
;
_item.name '_sample.type'
_item.category_id 'sample'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
_item_default.value 'solution'
loop_
_item_enumeration.value
_item_enumeration.detail
solution ?
solid ?
bicelle ?
emulsion ?
fiber 'solid-state fiber sample'
'filamentous virus' ?
'gel solution' 'gel samples used for solution NMR'
'gel solid' 'gel samples used for solid-state NMR'
liposome ?
membrane ?
micelle ?
'lyophilized powder' ?
'oriented membrane film' ?
'fibrous protein' ?
'polycrystalline powder' ?
'reverse micelle' ?
'single crystal' ?
microcrystalline ?
'liquid crystal' ?
in-cell ?
stop_
loop_
_item_examples.case
;
solution
;
stop_
save_
save__sample.sub_type
_item_description.description
;
Solid and solution NMR samples of different types are often used. Please
select the specific type of sample used.
;
_item.name '_sample.sub_type'
_item.category_id 'sample'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
polycrystalline
;
stop_
save_
save__sample.details
_item_description.description
;
Describe the sample. Note any atypical components or conditions and discuss
their importance.
;
_item.name '_sample.details'
_item.category_id 'sample'
_item.mandatory_code no
_item_type.code 'text'
loop_
_item_examples.case
;
The added glycerol was used to raise the viscosity of the solution to 1.05 poisson.
;
stop_
save_
save__sample.aggregate_sample_number
_item_description.description
;
Total number of samples represented by the concentration range reported
in category _Sample_component.
;
_item.name '_sample.aggregate_sample_number'
_item.category_id 'sample'
_item.mandatory_code no
_item_type.code 'int'
_item_default.value '1'
loop_
_item_examples.case
;
3
;
stop_
save_
save__sample.solvent_system
_item_description.description
;
The solvent components of the sample.
;
_item.name '_sample.solvent_system'
_item.category_id 'sample'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
# loop_
# _item_enumeration.value
# _item_enumeration.detail
#
# BMRB/XML: Eliminated the following enumerations.
# '90% H2O/10% D2O' ?
# '93% H2O/7% D2O' ?
# '95% H2O/5% D2O' ?
# '50% H2O/50% D2O' ?
# '100% D2O' ?
# acetone ?
# chloroform ?
# DMSO ?
# ethanol/water ?
# methanol ?
# 'trifluoroacetic acid' ?
# trifluoroethanol/water ?
#
# stop_
loop_
_item_examples.case
;
95% H2O/5% D2O
;
stop_
save_
save__sample.preparation_date
_item_description.description
;
Date the sample was prepared.
;
_item.name '_sample.preparation_date'
_item.category_id 'sample'
_item.mandatory_code no
_item_type.code 'yyyy-mm-dd'
save_
save__sample.preparation_expiration_date
_item_description.description
;
Date after which the sample should not be used.
;
_item.name '_sample.preparation_expiration_date'
_item.category_id 'sample'
_item.mandatory_code no
_item_type.code 'yyyy-mm-dd'
save_
save__sample.polycrystallization_protocol
_item_description.description
;
Protocol used for preparing polycrystalline samples.
;
_item.name '_sample.polycrystallization_protocol'
_item.category_id 'sample'
_item.mandatory_code no
_item_type.code 'text'
save_
save__sample.single_crystal_protocol
_item_description.description
;
Text protocol used to prepare single crystals.
;
_item.name '_sample.single_crystal_protocol'
_item.category_id 'sample'
_item.mandatory_code no
_item_type.code 'text'
save_
save__sample.crystal_grow_apparatus
_item_description.description
;
Apparatus used to grow the crystals
;
_item.name '_sample.crystal_grow_apparatus'
_item.category_id 'sample'
_item.mandatory_code no
_item_type.code 'line'
save_
save__sample.crystal_grow_atmosphere
_item_description.description
;
Atmosphere used to grow the crystals.
;
_item.name '_sample.crystal_grow_atmosphere'
_item.category_id 'sample'
_item.mandatory_code no
_item_type.code 'line'
save_
save__sample.crystal_grow_details
_item_description.description
;
Text providing additional information regarding the methods used to grow
crystals.
;
_item.name '_sample.crystal_grow_details'
_item.category_id 'sample'
_item.mandatory_code no
_item_type.code 'text'
save_
save__sample.crystal_grow_method
_item_description.description
;
Name for the method used to grow the crystals.
;
_item.name '_sample.crystal_grow_method'
_item.category_id 'sample'
_item.mandatory_code no
_item_type.code 'text'
save_
save__sample.crystal_grow_method_cit_id
_item_description.description
;
Pointer to '_Citation.ID' The citation referenced provides a description
of the method used to grow the crystals.
;
_item.name '_sample.crystal_grow_method_cit_id'
_item.category_id 'sample'
_item.mandatory_code no
_item_type.code 'int'
save_
save__sample.crystal_grow_ph
_item_description.description
;
The pH used to grow the crystals, if a specific value was used.
;
_item.name '_sample.crystal_grow_ph'
_item.category_id 'sample'
_item.mandatory_code no
_item_type.code 'float'
save_
save__sample.crystal_grow_ph_range
_item_description.description
;
The pH range over which the crystals were grown, where a single pH value
was not used or known.
;
_item.name '_sample.crystal_grow_ph_range'
_item.category_id 'sample'
_item.mandatory_code no
_item_type.code 'line'
save_
save__sample.crystal_grow_pressure
_item_description.description
;
Pressure under which the crystals were grown.
;
_item.name '_sample.crystal_grow_pressure'
_item.category_id 'sample'
_item.mandatory_code no
_item_type.code 'float'
loop_
_item_examples.case
;
ambient
;
stop_
save_
save__sample.crystal_grow_pressure_esd
_item_description.description
;
Estemated error in the pressure value used to grow the crystals.
;
_item.name '_sample.crystal_grow_pressure_esd'
_item.category_id 'sample'
_item.mandatory_code no
_item_type.code 'float'
save_
save__sample.crystal_grow_seeding
_item_description.description
;
Code defining the type of seeding used to initiate the growth of the crystals.
;
_item.name '_sample.crystal_grow_seeding'
_item.category_id 'sample'
_item.mandatory_code no
_item_type.code 'line'
save_
save__sample.crystal_grow_seeding_cit_id
_item_description.description
;
Pointer to '_Citation.ID' The citation referenced provides a description
of the method used to seed the crystallization.
;
_item.name '_sample.crystal_grow_seeding_cit_id'
_item.category_id 'sample'
_item.mandatory_code no
_item_type.code 'int'
save_
save__sample.crystal_grow_temp
_item_description.description
;
Temperature used to grw the crystals.
;
_item.name '_sample.crystal_grow_temp'
_item.category_id 'sample'
_item.mandatory_code no
_item_type.code 'float'
save_
save__sample.crystal_grow_temp_details
_item_description.description
;
Text providing additional information regarding the temperature used to
grow the crystals.
;
_item.name '_sample.crystal_grow_temp_details'
_item.category_id 'sample'
_item.mandatory_code no
_item_type.code 'text'
save_
save__sample.crystal_grow_temp_esd
_item_description.description
;
Estimated error in the reported temperature value used to grow the crystals.
;
_item.name '_sample.crystal_grow_temp_esd'
_item.category_id 'sample'
_item.mandatory_code no
_item_type.code 'float'
save_
save__sample.crystal_grow_time
_item_description.description
;
The time required to grow the crystals.
;
_item.name '_sample.crystal_grow_time'
_item.category_id 'sample'
_item.mandatory_code no
_item_type.code 'float'
save_
save__sample.oriented_sample_prep_protocol
_item_description.description
;
Protocol used to prepare oriented crystal samples.
;
_item.name '_sample.oriented_sample_prep_protocol'
_item.category_id 'sample'
_item.mandatory_code no
_item_type.code 'text'
save_
save__sample.lyophilization_cryo_protectant
_item_description.description
;
Chemical used to protect the sample during lyophilization.
;
_item.name '_sample.lyophilization_cryo_protectant'
_item.category_id 'sample'
_item.mandatory_code no
_item_type.code 'line'
save_
save__sample.storage_protocol
_item_description.description
;
Protocol used for storing sample.
;
_item.name '_sample.storage_protocol'
_item.category_id 'sample'
_item.mandatory_code no
_item_type.code 'text'
save_
save_sample_component
_category.description
;
Items in the sample_component category define the components of a sample, their concentration in the sample, and the isotopic labeling for the component.
;
_category.id 'sample_component'
_category.mandatory_code yes
loop_
_category_key.name
'_sample_component.id'
'_sample_component.entry_id'
'_sample_component.sample_id'
stop_
loop_
_category_group.id
'inclusive_group'
'sample'
stop_
save_
save__sample_component.id
_item_description.description
;
A value that uniquely identifies each component of the sample in the component
list.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_sample_component.id' 'sample_component' yes
'_sample_component_atom_isotope.sample_component_id' 'sample_component_atom_isotope' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_sample_component_atom_isotope.sample_component_id' '_sample_component.id'
stop_
_item_type.code 'int'
save_
save__sample_component.mol_common_name
_item_description.description
;
Enter the common name for a component of the sample. Include molecules
under study as well as buffers and salts.
;
_item.name '_sample_component.mol_common_name'
_item.category_id 'sample_component'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
# loop_
# _item_enumeration.value
# _item_enumeration.detail
#
# BMRB/XML: Eliminated the following enumerations.
# D2O ?
# DSS ?
# DTT ?
# H2O ?
# PMSF ?
# 'potassium chloride' ?
# 'potassium phosphate' ?
# 'sodium azide' ?
# 'sodium chloride' ?
# 'sodium phosphate' ?
# TRIS ?
# TSP ?
# 'acetic acid' ?
# 'AEBSF protease inhibitor' ?
# 'ammonium acetate' ?
# 'ammonium citrate' ?
# 'ammonium sulfate' ?
# APMSF ?
# ascorbate ?
# beta-mercaptoethanol ?
# cacodylate ?
# CHAPS ?
# chloroform ?
# DHPC ?
# DMPC ?
# DMPG ?
# DMSO ?
# DPC ?
# EDTA ?
# ethanol ?
# formate ?
# glycerol ?
# glycine ?
# HEPES ?
# imidazole ?
# MES ?
# methanol ?
# pefabloc ?
# 'Pf1 phage' ?
# PIPES ?
# 'potassium cyanide' ?
# SDS ?
# 'sodium acetate' ?
# 'sodium dithionite' ?
# 'sodium sulfate' ?
# 'succinic acid' ?
# t-butanol ?
# TCEP ?
# TES ?
# TFA ?
# TFE ?
# urea ?
#
# stop_
loop_
_item_examples.case
;
CheY; DTT; PMSF
;
stop_
save_
save__sample_component.isotopic_labeling
_item_description.description
;
If this molecule in the sample was isotopically labeled provide a description
of the labeling using the methods recommended by the current IUPAC/IUBMB/IUPAB
Interunion Task Group
;
_item.name '_sample_component.isotopic_labeling'
_item.category_id 'sample_component'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
# loop_
# _item_enumeration.value
# _item_enumeration.detail
#
# BMRB/XML: Eliminated the following enumerations.
# 'natural abundance' ?
# '[U-100% 15N]' ?
# '[U-99% 15N]' 'Uniformly labeled with 15N at a level of 99 percent'
# '[U-98% 15N]' ?
# '[U-95% 15N]' ?
# '[U-90% 15N]' ?
# '[U-15N]' 'Uniformly labeled with 15N at an unknown percentage'
# '[U-100% 13C]' ?
# '[U-95% 13C]' ?
# '[U-10% 13C]' 'Uniformly labeled with 13C at a level of 10 percent'
# '[U-13C]' 'Uniformly labeled with 13C at an unknown percentage'
# '[U-100% 13C; U-100% 15N]' ?
# '[U-99% 13C; U-99% 15N]' 'Uniformly labeled with 13C at 99 percent and 15N at 99 percent'
# '[U-98% 13C; U-98% 15N]' ?
# '[U-95% 13C; U-95% 15N]' ?
# '[U-95% 13C; U-90% 15N]' ?
# '[U-10% 13C; U-100% 15N]' ?
# '[U-10% 13C; U-99% 15N]' ?
# '[U-13C; U-15N]' 'Uniformly labeled with 13C and 15N at unknown percentages'
# '[U-100% 13C; U-100% 15N; U-80% 2H]' ?
# '[U-13C; U-15N; U-2H]' 'Uniformly labeled with 13C, 15N, and 2H at unknown percentages'
# '[U-100% 2H]' ?
# '[U-99% 2H]' ?
# '[U-2H]' ?
# '[U-13C; U-15N]-Ade' 'All adenine nucleotides labeled fully with both 13C and 15N'
# '[U-13C; U-15N]-Cyt' 'All cytosine nucleotides labeled fully with both 13C and 15N'
# '[U-13C; U-15N]-Gua' 'All guanine nucleotides labeled fully with both 13C and 15N'
# '[U-13C; U-15N]-Ura' 'All uracil nucleotides labeled fully with both 13C and 15N'
# '[U-15N]-Leu' 'Uniformly labeled 15N Leu residues'
# '[95% 13CA]-Trp' 'All Trp residues labeled 95 percent with 13C in the CA position'
#
# stop_
loop_
_item_examples.case
;
[U-95% 13C; U-90% 15N]
;
stop_
save_
save__sample_component.assembly_id
_item_description.description
;
Pointer to '_Assembly.ID'
;
_item.name '_sample_component.assembly_id'
_item.category_id 'sample_component'
_item.mandatory_code no
_item_type.code 'int'
save_
save__sample_component.assembly_label
_item_description.description
;
Pointer to a saveframe of the category assembly.
;
_item.name '_sample_component.assembly_label'
_item.category_id 'sample_component'
_item.mandatory_code no
_item_type.code 'framecode'
save_
save__sample_component.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_sample_component.entity_id'
_item.category_id 'sample_component'
_item.mandatory_code no
_item_type.code 'int'
save_
save__sample_component.entity_label
_item_description.description
;
Pointer to a saveframe of the category entity.
;
_item.name '_sample_component.entity_label'
_item.category_id 'sample_component'
_item.mandatory_code no
_item_type.code 'framecode'
save_
save__sample_component.product_id
_item_description.description
;
Not currently modeled. This ID would be a pointer to the categories describing
the production and purification of the sample component.
;
_item.name '_sample_component.product_id'
_item.category_id 'sample_component'
_item.mandatory_code no
_item_type.code 'int'
save_
save__sample_component.type
_item_description.description
;
Enter the class of molecule ( proteins DNA buffer salt) to which the sample
component belongs.
;
_item.name '_sample_component.type'
_item.category_id 'sample_component'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
protein; DNA; RNA; carbohydrate; buffer; salt
;
stop_
save_
save__sample_component.concentration_val
_item_description.description
;
Value for the concentration of the sample component (units will be entered
below).
;
_item.name '_sample_component.concentration_val'
_item.category_id 'sample_component'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
2 or 0.7-1.2
;
stop_
save_
save__sample_component.concentration_val_min
_item_description.description
;
If entering a range for the concentration of the component provide the
minimal value.
;
_item.name '_sample_component.concentration_val_min'
_item.category_id 'sample_component'
_item.mandatory_code no
_item_type.code 'float'
loop_
_item_examples.case
;
0.5
;
stop_
save_
save__sample_component.concentration_val_max
_item_description.description
;
If entering a range for the concentration of the sample component provide
the maximal value.
;
_item.name '_sample_component.concentration_val_max'
_item.category_id 'sample_component'
_item.mandatory_code no
_item_type.code 'float'
loop_
_item_examples.case
;
3
;
stop_
save_
save__sample_component.concentration_val_units
_item_description.description
;
Units used to express the concentration of the sample component.
;
_item.name '_sample_component.concentration_val_units'
_item.category_id 'sample_component'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
_item_default.value 'mM'
loop_
_item_enumeration.value
_item_enumeration.detail
M Molar
mM millimolar
uM micromolar
nM nanomolar
% percent
v/v 'volume to volume'
w/v 'weight to volume percent'
mg 'milligram'
ug 'microgram'
mg/mL 'mg per milliliter'
g/L 'grams per liter'
pM picomolar
w/w ?
'% v/v' ?
'% w/v' ?
'% w/w' ?
mg/L ?
mg/uL ?
ug/mL ?
ug/uL ?
mL ?
uL ?
A260 ?
eq ?
ratio ?
saturated ?
tablet/100mL ?
na ?
stop_
loop_
_item_examples.case
;
millimolar
;
stop_
save_
save__sample_component.concentration_val_err
_item_description.description
;
Estimate for the standard error associated with the concentration value
of the sample component.
;
_item.name '_sample_component.concentration_val_err'
_item.category_id 'sample_component'
_item.mandatory_code no
_item_type.code 'float'
loop_
_item_examples.case
;
0.2
;
stop_
save_
save__sample_component.vendor
_item_description.description
;
The name of the vendor for a sample component.
;
_item.name '_sample_component.vendor'
_item.category_id 'sample_component'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
Aldrich
;
stop_
save_
save__sample_component.vendor_product_name
_item_description.description
;
The product name assigned by the vendor.
;
_item.name '_sample_component.vendor_product_name'
_item.category_id 'sample_component'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
sucrose
;
stop_
save_
save__sample_component.vendor_product_code
_item_description.description
;
The product code assigned by the vendor.
;
_item.name '_sample_component.vendor_product_code'
_item.category_id 'sample_component'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
1456378
;
stop_
save_
save__sample_component.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_sample_component.entry_id'
_item.category_id 'sample_component'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__sample_component.sample_id
_item_description.description
;
Pointer to '_Sample.ID'
;
_item.name '_sample_component.sample_id'
_item.category_id 'sample_component'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_sample_component_atom_isotope
_category.description
;
Items in the sample_component_atom_isotope category provide information about the isotopic labeling of individual atom in a component of a sample when complex patterns of selective isotopic labeling are used.
;
_category.id 'sample_component_atom_isotope'
_category.mandatory_code yes
loop_
_category_key.name
'_sample_component_atom_isotope.sample_component_id'
'_sample_component_atom_isotope.entity_id'
'_sample_component_atom_isotope.comp_index_id'
'_sample_component_atom_isotope.atom_id'
'_sample_component_atom_isotope.atom_isotope_number'
'_sample_component_atom_isotope.entry_id'
'_sample_component_atom_isotope.sample_id'
stop_
loop_
_category_group.id
'inclusive_group'
'sample'
stop_
save_
save__sample_component_atom_isotope.sample_component_id
_item_description.description
;
Pointer to '_Sample_component.ID'
;
_item.name '_sample_component_atom_isotope.sample_component_id'
_item.category_id 'sample_component_atom_isotope'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__sample_component_atom_isotope.mol_common_name
_item_description.description
;
A common name used for the labaled chemical compound.
;
_item.name '_sample_component_atom_isotope.mol_common_name'
_item.category_id 'sample_component_atom_isotope'
_item.mandatory_code no
_item_type.code 'line'
save_
save__sample_component_atom_isotope.assembly_atom_id
_item_description.description
;
Pointer to '_Atom.Assembly_atom_ID'
;
_item.name '_sample_component_atom_isotope.assembly_atom_id'
_item.category_id 'sample_component_atom_isotope'
_item.mandatory_code no
_item_type.code 'int'
save_
save__sample_component_atom_isotope.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_sample_component_atom_isotope.entity_id'
_item.category_id 'sample_component_atom_isotope'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__sample_component_atom_isotope.entity_label
_item_description.description
;
Pointer to a saveframe of the category 'entity'
;
_item.name '_sample_component_atom_isotope.entity_label'
_item.category_id 'sample_component_atom_isotope'
_item.mandatory_code no
_item_type.code 'framecode'
save_
save__sample_component_atom_isotope.comp_id
_item_description.description
;
Pointer to '_Chem_comp.ID'
;
_item.name '_sample_component_atom_isotope.comp_id'
_item.category_id 'sample_component_atom_isotope'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__sample_component_atom_isotope.comp_isotope_label_code
_item_description.description
;
A code that uniquely defines the atoms that are isotopically labeled in
a chemical component.
;
_item.name '_sample_component_atom_isotope.comp_isotope_label_code'
_item.category_id 'sample_component_atom_isotope'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__sample_component_atom_isotope.comp_index_id
_item_description.description
;
Pointer to '_Entity_comp_index.ID'
;
_item.name '_sample_component_atom_isotope.comp_index_id'
_item.category_id 'sample_component_atom_isotope'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__sample_component_atom_isotope.seq_id
_item_description.description
;
Pointer to '_Entity_poly_seq.Num'
;
_item.name '_sample_component_atom_isotope.seq_id'
_item.category_id 'sample_component_atom_isotope'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__sample_component_atom_isotope.atom_id
_item_description.description
;
Pointer to '_Chem_comp_atom.Atom_ID'
;
_item.name '_sample_component_atom_isotope.atom_id'
_item.category_id 'sample_component_atom_isotope'
_item.mandatory_code yes
_item_type.code 'atcode'
save_
save__sample_component_atom_isotope.atom_type
_item_description.description
;
Standard symbol used to define the atom element type.
;
_item.name '_sample_component_atom_isotope.atom_type'
_item.category_id 'sample_component_atom_isotope'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__sample_component_atom_isotope.atom_isotope_number
_item_description.description
;
The mass number for the chemical element (number of protons plus number
of neutrons in the nucleus).
;
_item.name '_sample_component_atom_isotope.atom_isotope_number'
_item.category_id 'sample_component_atom_isotope'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__sample_component_atom_isotope.label_pct
_item_description.description
;
The percentage of the atoms at this site that are labeled with the designated
isotope.
;
_item.name '_sample_component_atom_isotope.label_pct'
_item.category_id 'sample_component_atom_isotope'
_item.mandatory_code yes
_item_type.code 'float'
save_
save__sample_component_atom_isotope.auth_entity_assembly_id
_item_description.description
;
An alternative identifier for Entity_assembly_ID that may be provided by
an author in order to match that used in the publication that describes the experimental
data. Note that the value is not required to be a number and does not
need to correspond to the value for Entity_assembly_ID.
;
_item.name '_sample_component_atom_isotope.auth_entity_assembly_id'
_item.category_id 'sample_component_atom_isotope'
_item.mandatory_code no
_item_type.code 'code'
save_
save__sample_component_atom_isotope.auth_entity_id
_item_description.description
;
An alternative identifier for Entity_ID that may be provided by an author
in order to match that used in the publication that describes the experimental
data. Note that the value is not required to be a number and does not need to
correspond to the value for Entity_ID.
;
_item.name '_sample_component_atom_isotope.auth_entity_id'
_item.category_id 'sample_component_atom_isotope'
_item.mandatory_code no
_item_type.code 'code'
save_
save__sample_component_atom_isotope.auth_seq_id
_item_description.description
;
An alternative identifier for Seq_ID that may be provided by an author
in order to match that used in the publication that describes the experimental data.
Note that the value is not required to be a number and does not need to correspond
to the value for Seq_ID or Comp_index_ID.
;
_item.name '_sample_component_atom_isotope.auth_seq_id'
_item.category_id 'sample_component_atom_isotope'
_item.mandatory_code no
_item_type.code 'code'
save_
save__sample_component_atom_isotope.auth_comp_id
_item_description.description
;
An alternative identifier for Comp_ID that may be provided by an author
in order to match that used in the publication that describes the experimental data.
;
_item.name '_sample_component_atom_isotope.auth_comp_id'
_item.category_id 'sample_component_atom_isotope'
_item.mandatory_code no
_item_type.code 'code'
save_
save__sample_component_atom_isotope.auth_atom_id
_item_description.description
;
An alternative identifier for Atom_ID that may be provided by an author
in order to match that used in the publication that describes the experimental data.
;
_item.name '_sample_component_atom_isotope.auth_atom_id'
_item.category_id 'sample_component_atom_isotope'
_item.mandatory_code no
_item_type.code 'code'
save_
save__sample_component_atom_isotope.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_sample_component_atom_isotope.entry_id'
_item.category_id 'sample_component_atom_isotope'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__sample_component_atom_isotope.sample_id
_item_description.description
;
Pointer to '_Sample.ID'
;
_item.name '_sample_component_atom_isotope.sample_id'
_item.category_id 'sample_component_atom_isotope'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_sample_citation
_category.description
;
Items in the sample_citation category provide links to the citations category where reference citations with information about a sample or its preparation can be found.
;
_category.id 'sample_citation'
_category.mandatory_code yes
loop_
_category_key.name
'_sample_citation.citation_id'
'_sample_citation.entry_id'
'_sample_citation.sample_id'
stop_
loop_
_category_group.id
'inclusive_group'
'sample'
stop_
save_
save__sample_citation.citation_id
_item_description.description
;
Pointer to '_Citation.ID'
;
_item.name '_sample_citation.citation_id'
_item.category_id 'sample_citation'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__sample_citation.citation_label
_item_description.description
;
Pointer to a saveframe of the category citation.
;
_item.name '_sample_citation.citation_label'
_item.category_id 'sample_citation'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__sample_citation.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_sample_citation.entry_id'
_item.category_id 'sample_citation'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__sample_citation.sample_id
_item_description.description
;
Pointer to '_Sample.ID'
;
_item.name '_sample_citation.sample_id'
_item.category_id 'sample_citation'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_sample_condition_list
_category.description
;
Items in the sample_conditions_list define a unique set of sample conditions.
;
_category.id 'sample_condition_list'
_category.mandatory_code yes
loop_
_category_key.name
'_sample_condition_list.entry_id'
'_sample_condition_list.id'
stop_
loop_
_category_group.id
'inclusive_group'
'sample_conditions'
stop_
save_
save__sample_condition_list.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_sample_condition_list.sf_category'
_item.category_id 'sample_condition_list'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__sample_condition_list.sf_framecode
_item_description.description
;
A descriptive label that uniquely identifies this set of sample conditions
within an entry.
;
_item.name '_sample_condition_list.sf_framecode'
_item.category_id 'sample_condition_list'
_item.mandatory_code yes
_item_type.code 'framecode'
_item_default.value 'sample_conditions_1'
loop_
_item_examples.case
;
conditions_1
;
stop_
save_
save__sample_condition_list.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_sample_condition_list.entry_id'
_item.category_id 'sample_condition_list'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__sample_condition_list.id
_item_description.description
;
A value that uniquely identifies the set of sample conditions from other sample
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_sample_condition_list.id' 'sample_condition_list' yes
'_sample_condition_variable.sample_condition_list_id' 'sample_condition_variable' yes
'_sample_condition_citation.sample_condition_list_id' 'sample_condition_citation' yes
'_experiment.sample_condition_list_id' 'experiment' yes
'_assigned_chem_shift_list.sample_condition_list_id' 'assigned_chem_shift_list' yes
'_chem_shifts_calc_type.modeled_sample_cond_list_id' 'chem_shifts_calc_type' yes
'_coupling_constant_list.sample_condition_list_id' 'coupling_constant_list' yes
'_theoretical_coupling_constant_list.sample_condition_list_id' 'theoretical_coupling_constant_list' yes
'_spectral_peak_list.sample_condition_list_id' 'spectral_peak_list' yes
'_chem_shift_isotope_effect_list.sample_condition_list_id' 'chem_shift_isotope_effect_list' yes
'_chem_shift_perturbation_list.sample_condition_list_id' 'chem_shift_perturbation_list' yes
'_chem_shift_anisotropy.sample_condition_list_id' 'chem_shift_anisotropy' yes
'_rdc_list.sample_condition_list_id' 'rdc_list' yes
'_dipolar_coupling_list.sample_condition_list_id' 'dipolar_coupling_list' yes
'_spectral_density_list.sample_condition_list_id' 'spectral_density_list' yes
'_other_data_type_list.sample_condition_list_id' 'other_data_type_list' yes
'_chemical_rate_list.sample_condition_list_id' 'chemical_rate_list' yes
'_h_exch_rate_list.sample_condition_list_id' 'h_exch_rate_list' yes
'_h_exch_protection_factor_list.sample_condition_list_id' 'h_exch_protection_factor_list' yes
'_homonucl_noe_list.sample_condition_list_id' 'homonucl_noe_list' yes
'_heteronucl_noe_list.sample_condition_list_id' 'heteronucl_noe_list' yes
'_theoretical_heteronucl_noe_list.sample_condition_list_id' 'theoretical_heteronucl_noe_list' yes
'_heteronucl_t1_list.sample_condition_list_id' 'heteronucl_t1_list' yes
'_theoretical_heteronucl_t1_list.sample_condition_list_id' 'theoretical_heteronucl_t1_list' yes
'_heteronucl_t1rho_list.sample_condition_list_id' 'heteronucl_t1rho_list' yes
'_heteronucl_t2_list.sample_condition_list_id' 'heteronucl_t2_list' yes
'_theoretical_heteronucl_t2_list.sample_condition_list_id' 'theoretical_heteronucl_t2_list' yes
'_auto_relaxation_list.sample_condition_list_id' 'auto_relaxation_list' yes
'_theoretical_auto_relaxation_list.sample_condition_list_id' 'theoretical_auto_relaxation_list' yes
'_dipole_dipole_relax_list.sample_condition_list_id' 'dipole_dipole_relax_list' yes
'_cross_correlation_dd_list.sample_condition_list_id' 'cross_correlation_dd_list' yes
'_theoretical_cross_correlation_dd_list.sample_condition_list_id' 'theoretical_cross_correlation_dd_list' yes
'_cross_correlation_d_csa_list.sample_condition_list_id' 'cross_correlation_d_csa_list' yes
'_order_parameter_list.sample_condition_list_id' 'order_parameter_list' yes
'_ph_titration_list.sample_condition_list_id' 'ph_titration_list' yes
'_d_h_fractionation_factor_list.sample_condition_list_id' 'd_h_fractionation_factor_list' yes
'_binding_value_list.sample_condition_list_id' 'binding_value_list' yes
'_deduced_secd_struct_list.sample_condition_list_id' 'deduced_secd_struct_list' yes
'_deduced_h_bond_list.sample_condition_list_id' 'deduced_h_bond_list' yes
'_conformer_family_coord_set.sample_condition_list_id' 'conformer_family_coord_set' yes
'_saxs_constraint_list.sample_condition_list_id' 'saxs_constraint_list' yes
'_mz_ratio_data_list.sample_condition_list_id' 'mz_ratio_data_list' yes
'_ms_chromatogram_list.sample_condition_list_id' 'ms_chromatogram_list' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_sample_condition_variable.sample_condition_list_id' '_sample_condition_list.id'
'_sample_condition_citation.sample_condition_list_id' '_sample_condition_list.id'
'_experiment.sample_condition_list_id' '_sample_condition_list.id'
'_assigned_chem_shift_list.sample_condition_list_id' '_sample_condition_list.id'
'_chem_shifts_calc_type.modeled_sample_cond_list_id' '_sample_condition_list.id'
'_coupling_constant_list.sample_condition_list_id' '_sample_condition_list.id'
'_theoretical_coupling_constant_list.sample_condition_list_id' '_sample_condition_list.id'
'_spectral_peak_list.sample_condition_list_id' '_sample_condition_list.id'
'_chem_shift_isotope_effect_list.sample_condition_list_id' '_sample_condition_list.id'
'_chem_shift_perturbation_list.sample_condition_list_id' '_sample_condition_list.id'
'_chem_shift_anisotropy.sample_condition_list_id' '_sample_condition_list.id'
'_rdc_list.sample_condition_list_id' '_sample_condition_list.id'
'_dipolar_coupling_list.sample_condition_list_id' '_sample_condition_list.id'
'_spectral_density_list.sample_condition_list_id' '_sample_condition_list.id'
'_other_data_type_list.sample_condition_list_id' '_sample_condition_list.id'
'_chemical_rate_list.sample_condition_list_id' '_sample_condition_list.id'
'_h_exch_rate_list.sample_condition_list_id' '_sample_condition_list.id'
'_h_exch_protection_factor_list.sample_condition_list_id' '_sample_condition_list.id'
'_homonucl_noe_list.sample_condition_list_id' '_sample_condition_list.id'
'_heteronucl_noe_list.sample_condition_list_id' '_sample_condition_list.id'
'_theoretical_heteronucl_noe_list.sample_condition_list_id' '_sample_condition_list.id'
'_heteronucl_t1_list.sample_condition_list_id' '_sample_condition_list.id'
'_theoretical_heteronucl_t1_list.sample_condition_list_id' '_sample_condition_list.id'
'_heteronucl_t1rho_list.sample_condition_list_id' '_sample_condition_list.id'
'_heteronucl_t2_list.sample_condition_list_id' '_sample_condition_list.id'
'_theoretical_heteronucl_t2_list.sample_condition_list_id' '_sample_condition_list.id'
'_auto_relaxation_list.sample_condition_list_id' '_sample_condition_list.id'
'_theoretical_auto_relaxation_list.sample_condition_list_id' '_sample_condition_list.id'
'_dipole_dipole_relax_list.sample_condition_list_id' '_sample_condition_list.id'
'_cross_correlation_dd_list.sample_condition_list_id' '_sample_condition_list.id'
'_theoretical_cross_correlation_dd_list.sample_condition_list_id' '_sample_condition_list.id'
'_cross_correlation_d_csa_list.sample_condition_list_id' '_sample_condition_list.id'
'_order_parameter_list.sample_condition_list_id' '_sample_condition_list.id'
'_ph_titration_list.sample_condition_list_id' '_sample_condition_list.id'
'_d_h_fractionation_factor_list.sample_condition_list_id' '_sample_condition_list.id'
'_binding_value_list.sample_condition_list_id' '_sample_condition_list.id'
'_deduced_secd_struct_list.sample_condition_list_id' '_sample_condition_list.id'
'_deduced_h_bond_list.sample_condition_list_id' '_sample_condition_list.id'
'_conformer_family_coord_set.sample_condition_list_id' '_sample_condition_list.id'
'_saxs_constraint_list.sample_condition_list_id' '_sample_condition_list.id'
'_mz_ratio_data_list.sample_condition_list_id' '_sample_condition_list.id'
'_ms_chromatogram_list.sample_condition_list_id' '_sample_condition_list.id'
stop_
_item_type.code 'int'
save_
save__sample_condition_list.name
_item_description.description
;
A descriptive name that uniquely identifies this set of sample conditions
within the entry.
;
_item.name '_sample_condition_list.name'
_item.category_id 'sample_condition_list'
_item.mandatory_code no
_item_type.code 'line'
save_
save__sample_condition_list.details
_item_description.description
;
General details describing conditions of both the sample and the environment
during measurements.
;
_item.name '_sample_condition_list.details'
_item.category_id 'sample_condition_list'
_item.mandatory_code no
_item_type.code 'text'
loop_
_item_examples.case
;
The high salinity of the sample may have contributed to overheating of the sample during experiments with long saturation periods like the TOCSY experiments.
;
stop_
save_
save_sample_condition_variable
_category.description
;
Items in the sample_condition_variable category define specific sample conditions like temperature or pH and the values for the sample conditions used in collecting experimental data.
;
_category.id 'sample_condition_variable'
_category.mandatory_code yes
loop_
_category_key.name
'_sample_condition_variable.type'
'_sample_condition_variable.entry_id'
'_sample_condition_variable.sample_condition_list_id'
stop_
loop_
_category_group.id
'inclusive_group'
'sample_conditions'
stop_
save_
save__sample_condition_variable.type
_item_description.description
;
The variable used to define a specific sample condition (i.e., temperature)used
when conducting experiments used to derive the experimental data included
in the file.
;
_item.name '_sample_condition_variable.type'
_item.category_id 'sample_condition_variable'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag yes
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
pH ?
pH* ?
pD ?
temperature ?
pressure ?
'ionic strength' ?
viscosity ?
'dielectric constant' ?
'temperature controller setting' ?
# BMRB/XML: Added na.
na ?
stop_
loop_
_item_examples.case
;
temperature, pressure, pH
;
stop_
save_
save__sample_condition_variable.val
_item_description.description
;
Value for the variable (temperature pressure pH). Units will be listed below.
;
_item.name '_sample_condition_variable.val'
_item.category_id 'sample_condition_variable'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
308
;
stop_
save_
save__sample_condition_variable.val_err
_item_description.description
;
Estimate the standard error on the value for the sample condition.
;
_item.name '_sample_condition_variable.val_err'
_item.category_id 'sample_condition_variable'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
0.2
;
stop_
save_
save__sample_condition_variable.val_units
_item_description.description
;
Units for the value of the sample condition (temperature pressure pH).
;
_item.name '_sample_condition_variable.val_units'
_item.category_id 'sample_condition_variable'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
Pa "Pascal, 1 Pa = 1 N m^-2"
bar "bar, 1 bar = 10^5 Pa"
atm ?
mmHg ?
Torr ?
mbar millibar
K Kelvin
C ?
pH ?
M ?
mM ?
P ?
cP ?
m^2/s ?
Pa.s ?
'Not defined' ?
hPa "hecto Pascal"
pD ?
pH* ?
% ?
s second
stop_
loop_
_item_examples.case
;
K
;
stop_
save_
save__sample_condition_variable.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_sample_condition_variable.entry_id'
_item.category_id 'sample_condition_variable'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__sample_condition_variable.sample_condition_list_id
_item_description.description
;
Pointer to '_Sample_condition_list.ID'
;
_item.name '_sample_condition_variable.sample_condition_list_id'
_item.category_id 'sample_condition_variable'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_sample_condition_citation
_category.description
;
Items in the sample_condition_citation category provide links to the citations category where reference citations with information about a set of sample conditions and their use can be found.
;
_category.id 'sample_condition_citation'
_category.mandatory_code yes
loop_
_category_key.name
'_sample_condition_citation.entry_id'
'_sample_condition_citation.sample_condition_list_id'
stop_
loop_
_category_group.id
'inclusive_group'
'sample_conditions'
stop_
save_
save__sample_condition_citation.citation_id
_item_description.description
;
Pointer to '_Citation.ID'
;
_item.name '_sample_condition_citation.citation_id'
_item.category_id 'sample_condition_citation'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__sample_condition_citation.citation_label
_item_description.description
;
Pointer to a saveframe of the category citation.
;
_item.name '_sample_condition_citation.citation_label'
_item.category_id 'sample_condition_citation'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__sample_condition_citation.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_sample_condition_citation.entry_id'
_item.category_id 'sample_condition_citation'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__sample_condition_citation.sample_condition_list_id
_item_description.description
;
Pointer to '_Sample_condition_list.ID'
;
_item.name '_sample_condition_citation.sample_condition_list_id'
_item.category_id 'sample_condition_citation'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_entity_purity_list
_category.description
;
Items in the entity_purity_list category define a unique set of information about the purity of molecular entities in samples used to collect experimental data.
;
_category.id 'entity_purity_list'
loop_
_category_key.name
'_entity_purity_list.entry_id'
'_entity_purity_list.id'
stop_
loop_
_category_group.id
'inclusive_group'
'molecule_purity'
stop_
save_
save__entity_purity_list.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_entity_purity_list.sf_category'
_item.category_id 'entity_purity_list'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__entity_purity_list.sf_framecode
_item_description.description
;
A descriptive label for this set of molecule purity values.
;
_item.name '_entity_purity_list.sf_framecode'
_item.category_id 'entity_purity_list'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__entity_purity_list.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity_purity_list.entry_id'
_item.category_id 'entity_purity_list'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__entity_purity_list.id
_item_description.description
;
An integer value that uniquely identifies this saveframe from other saveframes
in the entry of the same category.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_entity_purity_list.id' 'entity_purity_list' yes
'_entity_purity.entity_purity_list_id' 'entity_purity' yes
'_entity_purity_citation.entity_purity_list_id' 'entity_purity_citation' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_entity_purity.entity_purity_list_id' '_entity_purity_list.id'
'_entity_purity_citation.entity_purity_list_id' '_entity_purity_list.id'
stop_
_item_type.code 'int'
save_
save__entity_purity_list.details
_item_description.description
;
Text providing additional information describing the purity of the molecules
reported.
;
_item.name '_entity_purity_list.details'
_item.category_id 'entity_purity_list'
_item.mandatory_code no
_item_type.code 'text'
save_
save_entity_purity
_category.description
;
Items in the entity_purity category define the purity of a molecular entity in a sample.
;
_category.id 'entity_purity'
loop_
_category_key.name
'_entity_purity.id'
'_entity_purity.entry_id'
'_entity_purity.entity_purity_list_id'
stop_
loop_
_category_group.id
'inclusive_group'
'molecule_purity'
stop_
save_
save__entity_purity.id
_item_description.description
;
An integer value that uniquely identifies the purity value in the table
of reported purity values in the entry.
;
_item.name '_entity_purity.id'
_item.category_id 'entity_purity'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__entity_purity.sample_id
_item_description.description
;
Pointer to '_Sample.ID'
;
_item.name '_entity_purity.sample_id'
_item.category_id 'entity_purity'
_item.mandatory_code no
_item_type.code 'int'
save_
save__entity_purity.sample_label
_item_description.description
;
Pointer to a saveframe of the category sample.
;
_item.name '_entity_purity.sample_label'
_item.category_id 'entity_purity'
_item.mandatory_code no
_item_type.code 'framecode'
_item_default.value 'sample_1'
save_
save__entity_purity.entity_id
_item_description.description
;
Pointer to '_Entity.ID'
;
_item.name '_entity_purity.entity_id'
_item.category_id 'entity_purity'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__entity_purity.entity_label
_item_description.description
;
Pointer to a saveframe of the category entity.
;
_item.name '_entity_purity.entity_label'
_item.category_id 'entity_purity'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__entity_purity.val
_item_description.description
;
Purity value
;
_item.name '_entity_purity.val'
_item.category_id 'entity_purity'
_item.mandatory_code yes
_item_type.code 'float'
save_
save__entity_purity.val_units
_item_description.description
;
Units for the reported purity value.
;
_item.name '_entity_purity.val_units'
_item.category_id 'entity_purity'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__entity_purity.measurement_method
_item_description.description
;
Technique used to determine the purity of the molecule.
;
_item.name '_entity_purity.measurement_method'
_item.category_id 'entity_purity'
_item.mandatory_code yes
_item_type.code 'line'
loop_
_item_examples.case
;
mass spectrometry
;
stop_
save_
save__entity_purity.details
_item_description.description
;
Text describing the reported purity values and measurements.
;
_item.name '_entity_purity.details'
_item.category_id 'entity_purity'
_item.mandatory_code no
_item_type.code 'text'
save_
save__entity_purity.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity_purity.entry_id'
_item.category_id 'entity_purity'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__entity_purity.entity_purity_list_id
_item_description.description
;
Pointer to '_Entity_purity_list.ID'
;
_item.name '_entity_purity.entity_purity_list_id'
_item.category_id 'entity_purity'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_entity_purity_citation
_category.description
;
Items in the entity_purity_citation provide links to the citations category where literature references can be found.
;
_category.id 'entity_purity_citation'
loop_
_category_key.name
'_entity_purity_citation.citation_id'
'_entity_purity_citation.entry_id'
'_entity_purity_citation.entity_purity_list_id'
stop_
loop_
_category_group.id
'inclusive_group'
'molecule_purity'
stop_
save_
save__entity_purity_citation.citation_id
_item_description.description
;
Pointer to '_Citation.ID'
;
_item.name '_entity_purity_citation.citation_id'
_item.category_id 'entity_purity_citation'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__entity_purity_citation.citation_label
_item_description.description
;
Pointer to a saveframe of the category citation.
;
_item.name '_entity_purity_citation.citation_label'
_item.category_id 'entity_purity_citation'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__entity_purity_citation.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_entity_purity_citation.entry_id'
_item.category_id 'entity_purity_citation'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__entity_purity_citation.entity_purity_list_id
_item_description.description
;
Pointer to '_Entity_purity_list.ID'
;
_item.name '_entity_purity_citation.entity_purity_list_id'
_item.category_id 'entity_purity_citation'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_software
_category.description
;
Items in the software category describe software applications.
;
_category.id 'software'
loop_
_category_key.name
'_software.entry_id'
'_software.id'
stop_
loop_
_category_group.id
'inclusive_group'
'software'
stop_
save_
save__software.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_software.sf_category'
_item.category_id 'software'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__software.sf_framecode
_item_description.description
;
A label that uniquely identifies the software from other software listed
in the entry.
;
_item.name '_software.sf_framecode'
_item.category_id 'software'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'framecode'
# loop_
# _item_enumeration.value
# _item_enumeration.detail
#
# BMRB/XML: Eliminated the following enumerations.
# AMBER ?
# AngleSearch ?
# ANSIG ?
# Analysis ?
# AQUA ?
# ARIA ?
# AURELIA ?
# Auremol ?
# AutoAssign ?
# AutoStructure ?
# AVS ?
# AZARA ?
# BIRDER ?
# CAPP ?
# CARA ?
# CppNMR ?
# CING ?
# CNS ?
# CNSSOLVE ?
# CORMA ?
# CSI ?
# CS-Rosetta ?
# CURVES ?
# CYANA ?
# DELTA ?
# DGII ?
# DIAMOD ?
# DISCOVER ?
# DSPACE ?
# DYANA ?
# DYNAMO ?
# EMBOSS ?
# FANTOM ?
# Felix ?
# GARANT ?
# Gaussian ?
# GIFA ?
# GROMOS ?
# HADDOCK ?
# HYPER ?
# InsightII ?
# MARDIGRAS ?
# ModelFree ?
# Molmol ?
# MORASS ?
# NDEE ?
# NMRbox ?
# NMRCOMPASS ?
# NMRDraw ?
# NMRPipe ?
# NMRView ?
# NOAH ?
# NOEID ?
# NUCFIT ?
# NUTS ?
# OPAL ?
# PECAN ?
# PINE ?
# PIPP ?
# PISTACHIO ?
# Procheck ?
# ProcheckNMR ?
# P-ROI ?
# PRONTO ?
# PROSA ?
# PSVS ?
# QUEEN ?
# Relax ?
# RESCUE ?
# SANE ?
# SPARKY ?
# SPARTA ?
# SPARTA+ ?
# SPSCAN ?
# SYBYL ?
# TALOS ?
# TINKER ?
# TOPSPIN ?
# TRIPOS ?
# UXNMR ?
# VNMR ?
# VNMRJ ?
# WhatIF ?
# Wattos ?
# XEASY ?
# X-PLOR ?
# 'X-PLOR NIH' ?
# xwinnmr ?
#
#
# stop_
loop_
_item_examples.case
;
X-PLOR
;
stop_
save_
save__software.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_software.entry_id'
_item.category_id 'software'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__software.id
_item_description.description
;
A value that uniquely identifies the software from other software listed
in the entry.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_software.id' 'software' yes
'_entry.generated_software_id' 'entry' yes
'_chem_struct_descriptor.software_id' 'chem_struct_descriptor' yes
'_vendor.software_id' 'vendor' yes
'_task.software_id' 'task' yes
'_software_citation.software_id' 'software_citation' yes
'_mass_spec_software.software_id' 'mass_spec_software' yes
'_nmr_spec_expt.software_id' 'nmr_spec_expt' yes
'_nmr_spectral_proc_software.software_id' 'nmr_spectral_proc_software' yes
'_ms_expt_software.software_id' 'ms_expt_software' yes
'_fret_expt.software_id' 'fret_expt' yes
'_emr_expt.software_id' 'emr_expt' yes
'_saxs_expt.software_id' 'saxs_expt' yes
'_chem_shift_software.software_id' 'chem_shift_software' yes
'_chem_shifts_calc_software.software_id' 'chem_shifts_calc_software' yes
'_coupling_constant_software.software_id' 'coupling_constant_software' yes
'_theoretical_coupling_constant_software.software_id' 'theoretical_coupling_constant_software' yes
'_spectral_peak_software.software_id' 'spectral_peak_software' yes
'_isotope_effect_software.software_id' 'isotope_effect_software' yes
'_chem_shift_perturbation_software.software_id' 'chem_shift_perturbation_software' yes
'_cs_anisotropy_software.software_id' 'cs_anisotropy_software' yes
'_rdc_software.software_id' 'rdc_software' yes
'_dipolar_coupling_software.software_id' 'dipolar_coupling_software' yes
'_spectral_density_software.software_id' 'spectral_density_software' yes
'_other_data_software.software_id' 'other_data_software' yes
'_chemical_rate_software.software_id' 'chemical_rate_software' yes
'_h_exch_rate_software.software_id' 'h_exch_rate_software' yes
'_h_exch_protection_fact_software.software_id' 'h_exch_protection_fact_software' yes
'_homonucl_noe_software.software_id' 'homonucl_noe_software' yes
'_heteronucl_noe_software.software_id' 'heteronucl_noe_software' yes
'_theoretical_heteronucl_noe_software.software_id' 'theoretical_heteronucl_noe_software' yes
'_heteronucl_t1_software.software_id' 'heteronucl_t1_software' yes
'_theoretical_heteronucl_t1_software.software_id' 'theoretical_heteronucl_t1_software' yes
'_heteronucl_t1rho_software.software_id' 'heteronucl_t1rho_software' yes
'_heteronucl_t2_software.software_id' 'heteronucl_t2_software' yes
'_theoretical_heteronucl_t2_software.software_id' 'theoretical_heteronucl_t2_software' yes
'_auto_relaxation_software.software_id' 'auto_relaxation_software' yes
'_theoretical_auto_relaxation_software.software_id' 'theoretical_auto_relaxation_software' yes
'_dipole_dipole_relax_software.software_id' 'dipole_dipole_relax_software' yes
'_cross_correlation_dd_software.software_id' 'cross_correlation_dd_software' yes
'_theoretical_cross_correlation_dd_software.software_id' 'theoretical_cross_correlation_dd_software' yes
'_cross_correlation_d_csa_software.software_id' 'cross_correlation_d_csa_software' yes
'_order_parameter_software.software_id' 'order_parameter_software' yes
'_ph_titration_software.software_id' 'ph_titration_software' yes
'_d_h_fract_factor_software.software_id' 'd_h_fract_factor_software' yes
'_binding_software.software_id' 'binding_software' yes
'_deduced_secd_struct_software.software_id' 'deduced_secd_struct_software' yes
'_deduced_h_bond_software.software_id' 'deduced_h_bond_software' yes
'_conf_stats_software.software_id' 'conf_stats_software' yes
'_conformer_family_refinement.software_id' 'conformer_family_refinement' yes
'_conformer_family_software.software_id' 'conformer_family_software' yes
'_rep_conf_software.software_id' 'rep_conf_software' yes
'_constraint_file.software_id' 'constraint_file' yes
'_force_constant_software.software_id' 'force_constant_software' yes
'_struct_anno_software.software_id' 'struct_anno_software' yes
'_gen_dist_constraint_software.software_id' 'gen_dist_constraint_software' yes
'_gen_dist_constraint_software_param.software_id' 'gen_dist_constraint_software_param' yes
'_distance_constraint_software.software_id' 'distance_constraint_software' yes
'_dist_constr_software_setting.software_id' 'dist_constr_software_setting' yes
'_floating_chirality_software.software_id' 'floating_chirality_software' yes
'_torsion_angle_constraint_software.software_id' 'torsion_angle_constraint_software' yes
'_rdc_constraint_software.software_id' 'rdc_constraint_software' yes
'_j_three_bond_constraint_software.software_id' 'j_three_bond_constraint_software' yes
'_ca_cb_constraint_software.software_id' 'ca_cb_constraint_software' yes
'_h_chem_shift_constraint_software.software_id' 'h_chem_shift_constraint_software' yes
'_saxs_constraint_software.software_id' 'saxs_constraint_software' yes
'_other_constraint_software.software_id' 'other_constraint_software' yes
'_mz_ratio_software.software_id' 'mz_ratio_software' yes
'_ms_chromatogram_software.software_id' 'ms_chromatogram_software' yes
'_software_applied_methods.software_id' 'software_applied_methods' yes
'_history.software_id' 'history' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_entry.generated_software_id' '_software.id'
'_chem_struct_descriptor.software_id' '_software.id'
'_vendor.software_id' '_software.id'
'_task.software_id' '_software.id'
'_software_citation.software_id' '_software.id'
'_mass_spec_software.software_id' '_software.id'
'_nmr_spec_expt.software_id' '_software.id'
'_nmr_spectral_proc_software.software_id' '_software.id'
'_ms_expt_software.software_id' '_software.id'
'_fret_expt.software_id' '_software.id'
'_emr_expt.software_id' '_software.id'
'_saxs_expt.software_id' '_software.id'
'_chem_shift_software.software_id' '_software.id'
'_chem_shifts_calc_software.software_id' '_software.id'
'_coupling_constant_software.software_id' '_software.id'
'_theoretical_coupling_constant_software.software_id' '_software.id'
'_spectral_peak_software.software_id' '_software.id'
'_isotope_effect_software.software_id' '_software.id'
'_chem_shift_perturbation_software.software_id' '_software.id'
'_cs_anisotropy_software.software_id' '_software.id'
'_rdc_software.software_id' '_software.id'
'_dipolar_coupling_software.software_id' '_software.id'
'_spectral_density_software.software_id' '_software.id'
'_other_data_software.software_id' '_software.id'
'_chemical_rate_software.software_id' '_software.id'
'_h_exch_rate_software.software_id' '_software.id'
'_h_exch_protection_fact_software.software_id' '_software.id'
'_homonucl_noe_software.software_id' '_software.id'
'_heteronucl_noe_software.software_id' '_software.id'
'_theoretical_heteronucl_noe_software.software_id' '_software.id'
'_heteronucl_t1_software.software_id' '_software.id'
'_theoretical_heteronucl_t1_software.software_id' '_software.id'
'_heteronucl_t1rho_software.software_id' '_software.id'
'_heteronucl_t2_software.software_id' '_software.id'
'_theoretical_heteronucl_t2_software.software_id' '_software.id'
'_auto_relaxation_software.software_id' '_software.id'
'_theoretical_auto_relaxation_software.software_id' '_software.id'
'_dipole_dipole_relax_software.software_id' '_software.id'
'_cross_correlation_dd_software.software_id' '_software.id'
'_theoretical_cross_correlation_dd_software.software_id' '_software.id'
'_cross_correlation_d_csa_software.software_id' '_software.id'
'_order_parameter_software.software_id' '_software.id'
'_ph_titration_software.software_id' '_software.id'
'_d_h_fract_factor_software.software_id' '_software.id'
'_binding_software.software_id' '_software.id'
'_deduced_secd_struct_software.software_id' '_software.id'
'_deduced_h_bond_software.software_id' '_software.id'
'_conf_stats_software.software_id' '_software.id'
'_conformer_family_refinement.software_id' '_software.id'
'_conformer_family_software.software_id' '_software.id'
'_rep_conf_software.software_id' '_software.id'
'_constraint_file.software_id' '_software.id'
'_force_constant_software.software_id' '_software.id'
'_struct_anno_software.software_id' '_software.id'
'_gen_dist_constraint_software.software_id' '_software.id'
'_gen_dist_constraint_software_param.software_id' '_software.id'
'_distance_constraint_software.software_id' '_software.id'
'_dist_constr_software_setting.software_id' '_software.id'
'_floating_chirality_software.software_id' '_software.id'
'_torsion_angle_constraint_software.software_id' '_software.id'
'_rdc_constraint_software.software_id' '_software.id'
'_j_three_bond_constraint_software.software_id' '_software.id'
'_ca_cb_constraint_software.software_id' '_software.id'
'_h_chem_shift_constraint_software.software_id' '_software.id'
'_saxs_constraint_software.software_id' '_software.id'
'_other_constraint_software.software_id' '_software.id'
'_mz_ratio_software.software_id' '_software.id'
'_ms_chromatogram_software.software_id' '_software.id'
'_software_applied_methods.software_id' '_software.id'
'_history.software_id' '_software.id'
stop_
_item_type.code 'int'
save_
save__software.type
_item_description.description
;
A value that attempts to classify software applications.
;
_item.name '_software.type'
_item.category_id 'software'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
# loop_
# _item_enumeration.value
# _item_enumeration.detail
# BMRB/XML: Eliminated the following enumerations.
# 'NUS schedule generator' ?
# 'structure calculation' ?
# 'test lex' ?
#
# stop_
save_
save__software.name
_item_description.description
;
The name of the software defined by the author or provider of the software.
;
_item.name '_software.name'
_item.category_id 'software'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
# loop_
# _item_enumeration.value
# _item_enumeration.detail
#
# BMRB/XML: Eliminated the following enumerations.
# AMBER ?
# AngleSearch ?
# ANSIG ?
# Analysis ?
# AQUA ?
# ARIA ?
# AURELIA ?
# AUREMOL ?
# AutoAssign ?
# AutoStructure ?
# AVS ?
# AZARA ?
# BIRDER ?
# CARA ?
# CAPP ?
# CING ?
# CcpNMR ?
# CNS ?
# CNSSOLVE ?
# CORMA ?
# CSI ?
# CS-Rosetta ?
# CURVES ?
# CYANA ?
# DELTA ?
# DGII ?
# DIAMOD ?
# DISCOVER ?
# DSPACE ?
# DYANA ?
# DYNAMO ?
# EMBOSS ?
# FANTOM ?
# Felix ?
# GARANT ?
# Gaussian ?
# GIFA ?
# GROMOS ?
# HADDOCK ?
# HYPER ?
# InsightII ?
# MARDIGRAS ?
# ModelFree ?
# Molmol ?
# MORASS ?
# NDEE ?
# NMRbox ?
# NMRCOMPASS ?
# NMRDraw ?
# NMRPipe ?
# NMRView ?
# NOAH ?
# NOEID ?
# NUCFIT ?
# NUTS ?
# OPAL ?
# PECAN ?
# PINE ?
# PIPP ?
# PISTACHIO ?
# Procheck ?
# ProcheckNMR ?
# P-ROI ?
# PRONTO ?
# PROSA ?
# PSVS ?
# QUEEN ?
# Relax ?
# RESCUE ?
# SANE ?
# SPARKY ?
# SPARTA ?
# SPARTA+ ?
# SPSCAN ?
# SYBYL ?
# TALOS ?
# TINKER ?
# TOPSPIN ?
# TRIPOS ?
# UXNMR ?
# VNMR ?
# VNMRj ?
# WhatIF ?
# Wattos ?
# XEASY ?
# X-PLOR ?
# 'X-PLOR NIH' ?
# xwinnmr ?
#
# stop_
save_
save__software.version
_item_description.description
;
The code assigned to the version of the software.
;
_item.name '_software.version'
_item.category_id 'software'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
v3.0.0.8
;
stop_
save_
save__software.doi
_item_description.description
;
The DOI locator if available for the software application.
;
_item.name '_software.doi'
_item.category_id 'software'
_item.mandatory_code no
_item_type.code 'line'
save_
save__software.details
_item_description.description
;
Text description of the software.
;
_item.name '_software.details'
_item.category_id 'software'
_item.mandatory_code no
_item_type.code 'text'
save_
save_vendor
_category.description
;
Items in the vendor category define from whom a software application can be obtained.
;
_category.id 'vendor'
loop_
_category_key.name
'_vendor.name'
'_vendor.entry_id'
'_vendor.software_id'
stop_
loop_
_category_group.id
'inclusive_group'
'software'
stop_
save_
save__vendor.name
_item_description.description
;
Commercial or academic supplier of the software product.
;
_item.name '_vendor.name'
_item.category_id 'vendor'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
# loop_
# _item_enumeration.value
# _item_enumeration.detail
#
# BMRB/XML: Eliminated the following enumerations.
# '(ACME) - Delaglio, Zhengrong and Bax' ?
# '(AMBER) - Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' ?
# '(ANSIG) - Kraulis' ?
# '(Analysis) - CCPN' ?
# '(AQUA) - Rullmann, Doreleijers and Kaptein' ?
# "(ARIA) - Linge, O'Donoghue and Nilges" ?
# '(AURELIA) - Neidig, Geyer, Gorler, Antz, Saffrich, Beneicke, Kalbitzer' ?
# '(AUREMOL) - Bruker Biospin' ?
# '(AutoAssign) - Zimmerman, Moseley, Kulikowski and Montelione' ?
# '(AutoStructure) - Huang, Tejero, Powers and Montelione' ?
# '(AVS) - Moseley and Montelione' ?
# '(AZARA) - Boucher' ?
# '(CANDID) - Herrmann, Guntert and Wuthrich' ?
# '(CAPP) - Garrett' ?
# '(CARA) - Keller and Wuthrich' ?
# '(CcpNMR) - CCPN' ?
# '(CNS) - Brunger, Adams, Clore, Gros, Nilges and Read' ?
# '(CS-Rosetta) - Shen, Vernon, Baker and Bax' ?
# '(CYANA) - Guntert, Mumenthaler and Wuthrich' ?
# '(DGII) - Accelrys Software Inc.' ?
# '(DIANA) - Guntert, Braun and Wuthrich' ?
# '(DISCOVER) - Accelrys Software Inc.' ?
# '(DSPACE) - Hare' ?
# '(DYANA) - Guntert, Braun and Wuthrich' ?
# '(DYNAMO) - Delaglio and Kuszewski' ?
# '(EMBOSS - Rice, Longden and Bleasby' ?
# '(FANTOM) - Braun' ?
# '(Felix) - Accelrys Software Inc.' ?
# '(GARANT) - Bartels, Guntert, Billeter and Wuthrich' ?
# '(Gaussian) - Gaussian, Inc.' ?
# '(GIFA) - Delsuc' ?
# '(GROMOS) - van Gunsteren and Berendsen' ?
# '(HADDOCK) - Alexandre Bonvin' ?
# '(HYPER) - Tejero, Monleon, Celda, Powers and Montelione' ?
# '(InsightII) - Accelrys Software Inc.' ?
# '(ModelFree) - Palmer' ?
# '(Molmol) - Koradi, Billeter and Wuthrich' ?
# '(MOLPROBITY) - Richardson' ?
# '(MORASS) - Luxon' ?
# '(NDEE) - Roesch and Herrmann' ?
# '(NMRbox) - UConn Health Center' ?
# '(NMRDraw) - Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' ?
# '(NMRPipe) - Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' ?
# '(NMRView) - Johnson, One Moon Scientific' ?
# '(NUTS) - Acorn NMR Inc.' ?
# '(OPAL) - Luginbuhl, Guntert, Billeter and Wuthrich' ?
# '(PECAN) - Eghbalnia, Wang, Bahrami, Assadi, and Markley' ?
# '(PINE) - Bahrami, Markley, Assadi, and Eghbalnia' ?
# '(PIPP) - Garrett' ?
# '(PISTACHIO) - Eghbalnia, Bahrami, Wang, Assadi and Markley' ?
# '(Procheck) - Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton' ?
# '(ProcheckNMR) - Laskowski and MacArthur' ?
# '(P-ROI) - Kohda' ?
# '(PRONTO) - Kjur, Andersen and Poulsen' ?
# '(PROSA) - Guntert' ?
# '(PSVS) - Bhattacharya and Montelione' ?
# '(QUEEN) - Nabuurs, Spronk, Krieger, Maassen, Vriend and Vuister' ?
# '(RESCUE) - Pons and Delsuc' ?
# '(SANE) - Duggan, Legge, Dyson & Wright' ?
# '(SPARKY) - Goddard' ?
# '(SPARTA) - Shen and Bax' ?
# '(SPARTA+) - Shen and Bax' ?
# '(SPSCAN) - Glaser' ?
# '(STAPP) - Garrett' ?
# '(Surflex-Dock) - Tripos' ?
# '(SYBYL) - Tripos' ?
# '(TALOS) - Cornilescu, Delaglio and Bax' ?
# '(TINKER) - Ponder' ?
# '(TOPSPIN) - Bruker Biospin' ?
# '(TRIAD) - Tripos' ?
# '(TRIPOS) - Tripos' ?
# '(UXNMR) - Bruker Biospin' ?
# '(VNMR) - Varian' ?
# '(WhatIF) - Vriend' ?
# '(Wattos) - Doreleijers' ?
# '(XEASY) - Bartels et al.' ?
# '(X-PLOR) - Brunger' ?
# '(X-PLOR NIH) - Schwieters, Kuszewski, Tjandra and Clore' ?
# '(xwinnmr) - Bruker Biospin' ?
#
# stop_
loop_
_item_examples.case
;
NIH
;
stop_
save_
save__vendor.address
_item_description.description
;
Location for the person or company who supplies the software.
;
_item.name '_vendor.address'
_item.category_id 'vendor'
_item.mandatory_code no
_item_type.code 'text'
save_
save__vendor.electronic_address
_item_description.description
;
An internet address for the vendor of the software.
;
_item.name '_vendor.electronic_address'
_item.category_id 'vendor'
_item.mandatory_code no
_item_type.code 'text'
save_
save__vendor.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_vendor.entry_id'
_item.category_id 'vendor'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__vendor.software_id
_item_description.description
;
Pointer to '_Software.ID'
;
_item.name '_vendor.software_id'
_item.category_id 'vendor'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_task
_category.description
;
Items in the task category describe the tasks the software performed.
;
_category.id 'task'
loop_
_category_key.name
'_task.task'
'_task.entry_id'
'_task.software_id'
stop_
loop_
_category_group.id
'inclusive_group'
'software'
stop_
save_
save__task.task
_item_description.description
;
A word or brief phrase that describes the job that a software application
was used to carry out.
;
_item.name '_task.task'
_item.category_id 'task'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
# loop_
# _item_enumeration.value
# _item_enumeration.detail
#
# BMRB/XML: Eliminated the following enumerations.
# collection ?
# 'chemical shift assignment' ?
# 'chemical shift calculation' ?
# 'data analysis' ?
# 'geometry optimization' ?
# 'peak picking' ?
# processing ?
# refinement ?
# 'structure solution' ?
#
# stop_
loop_
_item_examples.case
;
chemical shift assignments
;
stop_
save_
save__task.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_task.entry_id'
_item.category_id 'task'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__task.software_id
_item_description.description
;
Pointer to '_Software.ID'
;
_item.name '_task.software_id'
_item.category_id 'task'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_software_citation
_category.description
;
Items in the software_citation category provide links to the citations category where literature references describing the software can be found.
;
_category.id 'software_citation'
loop_
_category_key.name
'_software_citation.citation_id'
'_software_citation.entry_id'
'_software_citation.software_id'
stop_
loop_
_category_group.id
'inclusive_group'
'software'
stop_
save_
save__software_citation.citation_id
_item_description.description
;
Pointer to '_Citation.ID'
;
_item.name '_software_citation.citation_id'
_item.category_id 'software_citation'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__software_citation.citation_label
_item_description.description
;
Pointer to a saveframe of the category citation.
;
_item.name '_software_citation.citation_label'
_item.category_id 'software_citation'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__software_citation.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_software_citation.entry_id'
_item.category_id 'software_citation'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__software_citation.software_id
_item_description.description
;
Pointer to '_Software.ID'
;
_item.name '_software_citation.software_id'
_item.category_id 'software_citation'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_method
_category.description
;
Items in the method category provide meta data about the reported method.
;
_category.id 'method'
loop_
_category_key.name
'_method.entry_id'
'_method.id'
stop_
loop_
_category_group.id
'inclusive_group'
'method'
stop_
save_
save__method.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_method.sf_category'
_item.category_id 'method'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__method.sf_framecode
_item_description.description
;
Descriptive label used to uniquely identify this method.
;
_item.name '_method.sf_framecode'
_item.category_id 'method'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__method.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_method.entry_id'
_item.category_id 'method'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__method.id
_item_description.description
;
A value that uniquely identifies the method describe from other methods
given in the entry.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_method.id' 'method' yes
'_method_file.method_id' 'method_file' yes
'_method_param.method_id' 'method_param' yes
'_method_citation.method_id' 'method_citation' yes
'_nmr_spec_expt.method_id' 'nmr_spec_expt' yes
'_nmr_spectral_proc_software.method_id' 'nmr_spectral_proc_software' yes
'_ms_expt_software.method_id' 'ms_expt_software' yes
'_fret_expt.method_id' 'fret_expt' yes
'_emr_expt.method_id' 'emr_expt' yes
'_saxs_expt.method_id' 'saxs_expt' yes
'_chem_shift_software.method_id' 'chem_shift_software' yes
'_chem_shifts_calc_software.method_id' 'chem_shifts_calc_software' yes
'_coupling_constant_software.method_id' 'coupling_constant_software' yes
'_theoretical_coupling_constant_software.method_id' 'theoretical_coupling_constant_software' yes
'_spectral_peak_software.method_id' 'spectral_peak_software' yes
'_peak_char.derivation_method_id' 'peak_char' yes
'_isotope_effect_software.method_id' 'isotope_effect_software' yes
'_chem_shift_perturbation_software.method_id' 'chem_shift_perturbation_software' yes
'_cs_anisotropy_software.method_id' 'cs_anisotropy_software' yes
'_rdc_software.method_id' 'rdc_software' yes
'_dipolar_coupling_software.method_id' 'dipolar_coupling_software' yes
'_spectral_density_software.method_id' 'spectral_density_software' yes
'_other_data_software.method_id' 'other_data_software' yes
'_chemical_rate_software.method_id' 'chemical_rate_software' yes
'_h_exch_rate_software.method_id' 'h_exch_rate_software' yes
'_h_exch_protection_fact_software.method_id' 'h_exch_protection_fact_software' yes
'_homonucl_noe_software.method_id' 'homonucl_noe_software' yes
'_heteronucl_noe_software.method_id' 'heteronucl_noe_software' yes
'_theoretical_heteronucl_noe_software.method_id' 'theoretical_heteronucl_noe_software' yes
'_heteronucl_t1_software.method_id' 'heteronucl_t1_software' yes
'_theoretical_heteronucl_t1_software.method_id' 'theoretical_heteronucl_t1_software' yes
'_heteronucl_t1rho_software.method_id' 'heteronucl_t1rho_software' yes
'_heteronucl_t2_software.method_id' 'heteronucl_t2_software' yes
'_theoretical_heteronucl_t2_software.method_id' 'theoretical_heteronucl_t2_software' yes
'_auto_relaxation_software.method_id' 'auto_relaxation_software' yes
'_theoretical_auto_relaxation_software.method_id' 'theoretical_auto_relaxation_software' yes
'_dipole_dipole_relax_software.method_id' 'dipole_dipole_relax_software' yes
'_cross_correlation_dd_software.method_id' 'cross_correlation_dd_software' yes
'_theoretical_cross_correlation_dd_software.method_id' 'theoretical_cross_correlation_dd_software' yes
'_cross_correlation_d_csa_software.method_id' 'cross_correlation_d_csa_software' yes
'_order_parameter_software.method_id' 'order_parameter_software' yes
'_ph_titration_software.method_id' 'ph_titration_software' yes
'_d_h_fract_factor_software.method_id' 'd_h_fract_factor_software' yes
'_binding_software.method_id' 'binding_software' yes
'_deduced_secd_struct_software.method_id' 'deduced_secd_struct_software' yes
'_deduced_secd_struct_exptl.selection_method_id' 'deduced_secd_struct_exptl' yes
'_deduced_h_bond_software.method_id' 'deduced_h_bond_software' yes
'_conf_stats_software.method_id' 'conf_stats_software' yes
'_conformer_family_software.method_id' 'conformer_family_software' yes
'_rep_conf_software.method_id' 'rep_conf_software' yes
'_force_constant_software.method_id' 'force_constant_software' yes
'_tertiary_struct_element_sel.method_id' 'tertiary_struct_element_sel' yes
'_struct_anno_software.method_id' 'struct_anno_software' yes
'_secondary_struct_sel.method_id' 'secondary_struct_sel' yes
'_bond_annotation.selection_method_id' 'bond_annotation' yes
'_structure_interaction.selection_method_id' 'structure_interaction' yes
'_gen_dist_constraint_expt.method_id' 'gen_dist_constraint_expt' yes
'_gen_dist_constraint_software.method_id' 'gen_dist_constraint_software' yes
'_distance_constraint_expt.method_id' 'distance_constraint_expt' yes
'_distance_constraint_software.method_id' 'distance_constraint_software' yes
'_floating_chirality_software.method_id' 'floating_chirality_software' yes
'_torsion_angle_constraints_expt.method_id' 'torsion_angle_constraints_expt' yes
'_torsion_angle_constraint_software.method_id' 'torsion_angle_constraint_software' yes
'_rdc_constraint_expt.method_id' 'rdc_constraint_expt' yes
'_rdc_constraint_software.method_id' 'rdc_constraint_software' yes
'_j_three_bond_constraint_expt.method_id' 'j_three_bond_constraint_expt' yes
'_j_three_bond_constraint_software.method_id' 'j_three_bond_constraint_software' yes
'_ca_cb_constraint_expt.method_id' 'ca_cb_constraint_expt' yes
'_ca_cb_constraint_software.method_id' 'ca_cb_constraint_software' yes
'_h_chem_shift_constraint_expt.method_id' 'h_chem_shift_constraint_expt' yes
'_h_chem_shift_constraint_software.method_id' 'h_chem_shift_constraint_software' yes
'_saxs_constraint_software.method_id' 'saxs_constraint_software' yes
'_other_constraint_expt.method_id' 'other_constraint_expt' yes
'_other_constraint_software.method_id' 'other_constraint_software' yes
'_mz_ratio_software.method_id' 'mz_ratio_software' yes
'_ms_chromatogram_software.method_id' 'ms_chromatogram_software' yes
'_software_applied_methods.methods_id' 'software_applied_methods' yes
'_history.method_id' 'history' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_method_file.method_id' '_method.id'
'_method_param.method_id' '_method.id'
'_method_citation.method_id' '_method.id'
'_nmr_spec_expt.method_id' '_method.id'
'_nmr_spectral_proc_software.method_id' '_method.id'
'_ms_expt_software.method_id' '_method.id'
'_fret_expt.method_id' '_method.id'
'_emr_expt.method_id' '_method.id'
'_saxs_expt.method_id' '_method.id'
'_chem_shift_software.method_id' '_method.id'
'_chem_shifts_calc_software.method_id' '_method.id'
'_coupling_constant_software.method_id' '_method.id'
'_theoretical_coupling_constant_software.method_id' '_method.id'
'_spectral_peak_software.method_id' '_method.id'
'_peak_char.derivation_method_id' '_method.id'
'_isotope_effect_software.method_id' '_method.id'
'_chem_shift_perturbation_software.method_id' '_method.id'
'_cs_anisotropy_software.method_id' '_method.id'
'_rdc_software.method_id' '_method.id'
'_dipolar_coupling_software.method_id' '_method.id'
'_spectral_density_software.method_id' '_method.id'
'_other_data_software.method_id' '_method.id'
'_chemical_rate_software.method_id' '_method.id'
'_h_exch_rate_software.method_id' '_method.id'
'_h_exch_protection_fact_software.method_id' '_method.id'
'_homonucl_noe_software.method_id' '_method.id'
'_heteronucl_noe_software.method_id' '_method.id'
'_theoretical_heteronucl_noe_software.method_id' '_method.id'
'_heteronucl_t1_software.method_id' '_method.id'
'_theoretical_heteronucl_t1_software.method_id' '_method.id'
'_heteronucl_t1rho_software.method_id' '_method.id'
'_heteronucl_t2_software.method_id' '_method.id'
'_theoretical_heteronucl_t2_software.method_id' '_method.id'
'_auto_relaxation_software.method_id' '_method.id'
'_theoretical_auto_relaxation_software.method_id' '_method.id'
'_dipole_dipole_relax_software.method_id' '_method.id'
'_cross_correlation_dd_software.method_id' '_method.id'
'_theoretical_cross_correlation_dd_software.method_id' '_method.id'
'_cross_correlation_d_csa_software.method_id' '_method.id'
'_order_parameter_software.method_id' '_method.id'
'_ph_titration_software.method_id' '_method.id'
'_d_h_fract_factor_software.method_id' '_method.id'
'_binding_software.method_id' '_method.id'
'_deduced_secd_struct_software.method_id' '_method.id'
'_deduced_secd_struct_exptl.selection_method_id' '_method.id'
'_deduced_h_bond_software.method_id' '_method.id'
'_conf_stats_software.method_id' '_method.id'
'_conformer_family_software.method_id' '_method.id'
'_rep_conf_software.method_id' '_method.id'
'_force_constant_software.method_id' '_method.id'
'_tertiary_struct_element_sel.method_id' '_method.id'
'_struct_anno_software.method_id' '_method.id'
'_secondary_struct_sel.method_id' '_method.id'
'_bond_annotation.selection_method_id' '_method.id'
'_structure_interaction.selection_method_id' '_method.id'
'_gen_dist_constraint_expt.method_id' '_method.id'
'_gen_dist_constraint_software.method_id' '_method.id'
'_distance_constraint_expt.method_id' '_method.id'
'_distance_constraint_software.method_id' '_method.id'
'_floating_chirality_software.method_id' '_method.id'
'_torsion_angle_constraints_expt.method_id' '_method.id'
'_torsion_angle_constraint_software.method_id' '_method.id'
'_rdc_constraint_expt.method_id' '_method.id'
'_rdc_constraint_software.method_id' '_method.id'
'_j_three_bond_constraint_expt.method_id' '_method.id'
'_j_three_bond_constraint_software.method_id' '_method.id'
'_ca_cb_constraint_expt.method_id' '_method.id'
'_ca_cb_constraint_software.method_id' '_method.id'
'_h_chem_shift_constraint_expt.method_id' '_method.id'
'_h_chem_shift_constraint_software.method_id' '_method.id'
'_saxs_constraint_software.method_id' '_method.id'
'_other_constraint_expt.method_id' '_method.id'
'_other_constraint_software.method_id' '_method.id'
'_mz_ratio_software.method_id' '_method.id'
'_ms_chromatogram_software.method_id' '_method.id'
'_software_applied_methods.methods_id' '_method.id'
'_history.method_id' '_method.id'
stop_
_item_type.code 'int'
save_
save__method.name
_item_description.description
;
A name assigned to the save frame.
;
_item.name '_method.name'
_item.category_id 'method'
_item.mandatory_code no
_item_type.code 'line'
save_
save__method.derivation_type
_item_description.description
;
The type of derivation used in the reported method.
;
_item.name '_method.derivation_type'
_item.category_id 'method'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__method.details
_item_description.description
;
Text description providing additional information about the reported method.
;
_item.name '_method.details'
_item.category_id 'method'
_item.mandatory_code no
_item_type.code 'text'
save_
save__method.computer_id
_item_description.description
;
Pointer to '_Computer.ID'
;
_item.name '_method.computer_id'
_item.category_id 'method'
_item.mandatory_code no
_item_type.code 'int'
save_
save__method.computer_label
_item_description.description
;
Pointer to a saveframe of the category computer.
;
_item.name '_method.computer_label'
_item.category_id 'method'
_item.mandatory_code no
_item_type.code 'framecode'
save_
save_method_file
_category.description
;
Items in the method_file category provide information regarding external files that contain the reported method.
;
_category.id 'method_file'
loop_
_category_key.name
'_method_file.name'
'_method_file.entry_id'
'_method_file.method_id'
stop_
loop_
_category_group.id
'inclusive_group'
'method'
stop_
save_
save__method_file.id
_item_description.description
;
Unique ID assigned to the file containing source code or other information
for the described method.
;
_item.name '_method_file.id'
_item.category_id 'method_file'
# BMRB/XML: Fatal error while DDL mapping
_item.mandatory_code no
_item_type.code 'int'
save_
save__method_file.name
_item_description.description
;
Name for the file containing the source code or protocol for the reported
method.
;
_item.name '_method_file.name'
_item.category_id 'method_file'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__method_file.text_format
_item_description.description
;
The format used in the ASCII texted document that is the method and is
the value to the tag _Method.Text.
;
_item.name '_method_file.text_format'
_item.category_id 'method_file'
_item.mandatory_code no
_item_type.code 'line'
save_
save__method_file.text
_item_description.description
;
The method provided as an ASCII text document that is included in the NMR-STAR
file as a value to this tag.
;
_item.name '_method_file.text'
_item.category_id 'method_file'
_item.mandatory_code no
_item_type.code 'text'
save_
save__method_file.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_method_file.entry_id'
_item.category_id 'method_file'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__method_file.method_id
_item_description.description
;
Pointer to '_Method.ID'
;
_item.name '_method_file.method_id'
_item.category_id 'method_file'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_method_param
_category.description
;
Items in the method_parameter category provide information regarding an external file that contains the parameters for the reported method.
;
_category.id 'method_param'
loop_
_category_key.name
'_method_param.file_name'
'_method_param.entry_id'
'_method_param.method_id'
stop_
loop_
_category_group.id
'inclusive_group'
'method'
stop_
save_
save__method_param.file_name
_item_description.description
;
Name of the file that contains parameters required to execute the method.
;
_item.name '_method_param.file_name'
_item.category_id 'method_param'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__method_param.text_format
_item_description.description
;
Format in which the method information is encoded.
;
_item.name '_method_param.text_format'
_item.category_id 'method_param'
_item.mandatory_code no
_item_type.code 'line'
save_
save__method_param.text
_item_description.description
;
Text for the reported method.
;
_item.name '_method_param.text'
_item.category_id 'method_param'
_item.mandatory_code no
_item_type.code 'text'
save_
save__method_param.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_method_param.entry_id'
_item.category_id 'method_param'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__method_param.method_id
_item_description.description
;
Pointer to '_Method.ID'
;
_item.name '_method_param.method_id'
_item.category_id 'method_param'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_method_citation
_category.description
;
Items in the method_citation category provide pointers to the citations where the method is described.
;
_category.id 'method_citation'
loop_
_category_key.name
'_method_citation.citation_id'
'_method_citation.entry_id'
'_method_citation.method_id'
stop_
loop_
_category_group.id
'inclusive_group'
'method'
stop_
save_
save__method_citation.citation_id
_item_description.description
;
Pointer to '_Citation.ID'
;
_item.name '_method_citation.citation_id'
_item.category_id 'method_citation'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__method_citation.citation_label
_item_description.description
;
Pointer to a saveframe of the category citation.
;
_item.name '_method_citation.citation_label'
_item.category_id 'method_citation'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__method_citation.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_method_citation.entry_id'
_item.category_id 'method_citation'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__method_citation.method_id
_item_description.description
;
Pointer to '_Method.ID'
;
_item.name '_method_citation.method_id'
_item.category_id 'method_citation'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_mass_spec
_category.description
;
Items in the mass_spec category provide meta information about the mass spectrometer described.
;
_category.id 'mass_spec'
loop_
_category_key.name
'_mass_spec.entry_id'
'_mass_spec.id'
stop_
loop_
_category_group.id
'inclusive_group'
'mass_spectrometer'
stop_
save_
save__mass_spec.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_mass_spec.sf_category'
_item.category_id 'mass_spec'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__mass_spec.sf_framecode
_item_description.description
;
A label that uniquely identifies the Mass spectrometer from other spectrometers
listed in the entry.
;
_item.name '_mass_spec.sf_framecode'
_item.category_id 'mass_spec'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__mass_spec.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_mass_spec.entry_id'
_item.category_id 'mass_spec'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__mass_spec.id
_item_description.description
;
A value that uniquely identifies the Mass spectrometer from other spectrometers
listed in the entry.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_mass_spec.id' 'mass_spec' yes
'_mass_spec_config.mass_spec_id' 'mass_spec_config' yes
'_mass_spec_component_param.mass_spec_id' 'mass_spec_component_param' yes
'_mass_spec_software.mass_spec_id' 'mass_spec_software' yes
'_mass_spec_citation.mass_spec_id' 'mass_spec_citation' yes
'_experiment.mass_spectrometer_id' 'experiment' yes
'_ms_expt.mass_spec_id' 'ms_expt' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_mass_spec_config.mass_spec_id' '_mass_spec.id'
'_mass_spec_component_param.mass_spec_id' '_mass_spec.id'
'_mass_spec_software.mass_spec_id' '_mass_spec.id'
'_mass_spec_citation.mass_spec_id' '_mass_spec.id'
'_experiment.mass_spectrometer_id' '_mass_spec.id'
'_ms_expt.mass_spec_id' '_mass_spec.id'
stop_
_item_type.code 'int'
save_
save__mass_spec.name
_item_description.description
;
A name assigned to the save frame.
;
_item.name '_mass_spec.name'
_item.category_id 'mass_spec'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
Mass spectrometer 1
;
stop_
save_
save__mass_spec.type
_item_description.description
;
The type of mass spectrometer used.
;
_item.name '_mass_spec.type'
_item.category_id 'mass_spec'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
Q-TOF ?
'ion TRAP' ?
FTMS ?
Quadrupole ?
stop_
save_
save__mass_spec.manufacturer
_item_description.description
;
Name of the company or other entity that built the Mass spectrometer.
;
_item.name '_mass_spec.manufacturer'
_item.category_id 'mass_spec'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
'Alpha Omega Technologies Inc.' ?
Agilent ?
'Analytica of Branford' ?
'Bear Instruments' ?
'Bergmann Messgeraete Entwicklung' ?
'Bruker Daltonics' ?
'Ciphergen Biosystems' ?
'Charles Evans & Associates' ?
'Comstock Inc.' ?
In-Situ ?
Micromass ?
'Hitachi Instruments' ?
'JEOL USA' ?
'Kore Technology Ltd.' ?
'Kratos Analytical' ?
LECO ?
'MKS Instruments' ?
'PE Biosystems' ?
'Perkin Elmer' ?
'Prolab Resources' ?
'Sensar Larson Davis' ?
'Shimadzu Scientific Instruments Inc.' ?
'Thermo Scientific' ?
stop_
save_
save__mass_spec.model
_item_description.description
;
The name or acronym used to describe the model of the spectrometer.
;
_item.name '_mass_spec.model'
_item.category_id 'mass_spec'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__mass_spec.serial_number
_item_description.description
;
Unique code assigned to a specific spectrometer by the manufacturer.
;
_item.name '_mass_spec.serial_number'
_item.category_id 'mass_spec'
_item.mandatory_code no
_item_type.code 'line'
save_
save__mass_spec.details
_item_description.description
;
A text description of the Mass spectrometer.
;
_item.name '_mass_spec.details'
_item.category_id 'mass_spec'
_item.mandatory_code no
_item_type.code 'text'
save_
save_mass_spec_config
_category.description
;
NOT AVAILABLE
;
_category.id 'mass_spec_config'
loop_
_category_key.name
'_mass_spec_config.id'
'_mass_spec_config.entry_id'
'_mass_spec_config.mass_spec_id'
stop_
loop_
_category_group.id
'inclusive_group'
'mass_spectrometer'
stop_
save_
save__mass_spec_config.id
_item_description.description
;
An integer value that uniquely identifies the component of the mass spectrometer.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_mass_spec_config.id' 'mass_spec_config' yes
'_mass_spec_component_param.mass_spec_config_id' 'mass_spec_component_param' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_mass_spec_component_param.mass_spec_config_id' '_mass_spec_config.id'
stop_
_item_type.code 'int'
save_
save__mass_spec_config.ordinal
_item_description.description
;
An integer value that uniquely identifies the position of the component
in the mass spectrometer.
;
_item.name '_mass_spec_config.ordinal'
_item.category_id 'mass_spec_config'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__mass_spec_config.component_type
_item_description.description
;
The type of component in the mass spectrometer
;
_item.name '_mass_spec_config.component_type'
_item.category_id 'mass_spec_config'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
source ?
analyzer ?
detector ?
stop_
save_
save__mass_spec_config.component_name
_item_description.description
;
The name of the component in the mass spectrometer.
;
_item.name '_mass_spec_config.component_name'
_item.category_id 'mass_spec_config'
_item.mandatory_code no
_item_type.code 'line'
save_
save__mass_spec_config.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_mass_spec_config.entry_id'
_item.category_id 'mass_spec_config'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__mass_spec_config.mass_spec_id
_item_description.description
;
Pointer to '_Mass_spec.ID'
;
_item.name '_mass_spec_config.mass_spec_id'
_item.category_id 'mass_spec_config'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_mass_spec_component_param
_category.description
;
NOT AVAILABLE
;
_category.id 'mass_spec_component_param'
loop_
_category_key.name
'_mass_spec_component_param.mass_spec_config_id'
'_mass_spec_component_param.id'
'_mass_spec_component_param.entry_id'
'_mass_spec_component_param.mass_spec_id'
stop_
loop_
_category_group.id
'inclusive_group'
'mass_spectrometer'
stop_
save_
save__mass_spec_component_param.mass_spec_config_id
_item_description.description
;
Pointer to '_Mass_spec_config.ID'
;
_item.name '_mass_spec_component_param.mass_spec_config_id'
_item.category_id 'mass_spec_component_param'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__mass_spec_component_param.id
_item_description.description
;
An integer value that uniquely identifies the parameter in the list.
;
_item.name '_mass_spec_component_param.id'
_item.category_id 'mass_spec_component_param'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__mass_spec_component_param.name
_item_description.description
;
The name for the parameter taken from an enumerated list or provided by
a depositor.
;
_item.name '_mass_spec_component_param.name'
_item.category_id 'mass_spec_component_param'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__mass_spec_component_param.value
_item_description.description
;
The value for the parameter. This value may be numeric or a character string.
;
_item.name '_mass_spec_component_param.value'
_item.category_id 'mass_spec_component_param'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__mass_spec_component_param.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_mass_spec_component_param.entry_id'
_item.category_id 'mass_spec_component_param'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__mass_spec_component_param.mass_spec_id
_item_description.description
;
Pointer to '_Mass_spec.ID'
;
_item.name '_mass_spec_component_param.mass_spec_id'
_item.category_id 'mass_spec_component_param'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_mass_spec_software
_category.description
;
NOT AVAILABLE
;
_category.id 'mass_spec_software'
loop_
_category_key.name
'_mass_spec_software.software_id'
'_mass_spec_software.entry_id'
'_mass_spec_software.mass_spec_id'
stop_
loop_
_category_group.id
'inclusive_group'
'mass_spectrometer'
stop_
save_
save__mass_spec_software.software_id
_item_description.description
;
Pointer to '_Software.ID'
;
_item.name '_mass_spec_software.software_id'
_item.category_id 'mass_spec_software'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__mass_spec_software.software_label
_item_description.description
;
Pointer to a saveframe of the category software.
;
_item.name '_mass_spec_software.software_label'
_item.category_id 'mass_spec_software'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__mass_spec_software.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_mass_spec_software.entry_id'
_item.category_id 'mass_spec_software'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__mass_spec_software.mass_spec_id
_item_description.description
;
Pointer to '_Mass_spec.ID'
;
_item.name '_mass_spec_software.mass_spec_id'
_item.category_id 'mass_spec_software'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_mass_spec_citation
_category.description
;
Items in the mass_spec_citation category provide pointers to citations where the mass spectrometer is described.
;
_category.id 'mass_spec_citation'
loop_
_category_key.name
'_mass_spec_citation.citation_id'
'_mass_spec_citation.entry_id'
'_mass_spec_citation.mass_spec_id'
stop_
loop_
_category_group.id
'inclusive_group'
'mass_spectrometer'
stop_
save_
save__mass_spec_citation.citation_id
_item_description.description
;
Pointer to '_Citation.ID'
;
_item.name '_mass_spec_citation.citation_id'
_item.category_id 'mass_spec_citation'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__mass_spec_citation.citation_label
_item_description.description
;
Pointer to a saveframe of the category citation.
;
_item.name '_mass_spec_citation.citation_label'
_item.category_id 'mass_spec_citation'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__mass_spec_citation.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_mass_spec_citation.entry_id'
_item.category_id 'mass_spec_citation'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__mass_spec_citation.mass_spec_id
_item_description.description
;
Pointer to '_Mass_spec.ID'
;
_item.name '_mass_spec_citation.mass_spec_id'
_item.category_id 'mass_spec_citation'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_mass_spectrometer_list
_category.description
;
Items in the mass_spectrometer_list category provide meta information regarding the reported list of mass spectrometers.
;
_category.id 'mass_spectrometer_list'
loop_
_category_key.name
'_mass_spectrometer_list.entry_id'
stop_
loop_
_category_group.id
'inclusive_group'
'mass_spectrometer_list'
stop_
save_
save__mass_spectrometer_list.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_mass_spectrometer_list.sf_category'
_item.category_id 'mass_spectrometer_list'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__mass_spectrometer_list.sf_framecode
_item_description.description
;
A label that uniquely identifies the Mass spectrometer from other spectrometers
listed in the entry.
;
_item.name '_mass_spectrometer_list.sf_framecode'
_item.category_id 'mass_spectrometer_list'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__mass_spectrometer_list.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_mass_spectrometer_list.entry_id'
_item.category_id 'mass_spectrometer_list'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__mass_spectrometer_list.id
_item_description.description
;
A value that uniquely identifies the Mass spectrometer from other spectrometers
listed in the entry.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_mass_spectrometer_list.id' 'mass_spectrometer_list' yes
'_mass_spectrometer_view.mass_spectrometer_list_id' 'mass_spectrometer_view' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_mass_spectrometer_view.mass_spectrometer_list_id' '_mass_spectrometer_list.id'
stop_
_item_type.code 'int'
save_
save__mass_spectrometer_list.name
_item_description.description
;
A name assigned to the save frame.
;
_item.name '_mass_spectrometer_list.name'
_item.category_id 'mass_spectrometer_list'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
Mass spectrometer list
;
stop_
save_
save_mass_spectrometer_view
_category.description
;
Items in the mass_spectrometer_view category provide the characteristics of mass spectrometers used to collect data reported in an entry.
;
_category.id 'mass_spectrometer_view'
loop_
_category_key.name
'_mass_spectrometer_view.id'
'_mass_spectrometer_view.entry_id'
'_mass_spectrometer_view.mass_spectrometer_list_id'
stop_
loop_
_category_group.id
'inclusive_group'
'mass_spectrometer_list'
stop_
save_
save__mass_spectrometer_view.id
_item_description.description
;
Unique local identifier assigned to an NMR spectrometer.
;
_item.name '_mass_spectrometer_view.id'
_item.category_id 'mass_spectrometer_view'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__mass_spectrometer_view.name
_item_description.description
;
Common name used for an NMR spectrometer.
;
_item.name '_mass_spectrometer_view.name'
_item.category_id 'mass_spectrometer_view'
_item.mandatory_code no
_item_type.code 'line'
save_
save__mass_spectrometer_view.manufacturer
_item_description.description
;
Name of the company or other entity that built the Mass spectrometer.
;
_item.name '_mass_spectrometer_view.manufacturer'
_item.category_id 'mass_spectrometer_view'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
'Alpha Omega Technologies Inc.' ?
Agilent ?
'Analytica of Branford' ?
'Bear Instruments' ?
'Bergmann Messgeraete Entwicklung' ?
'Bruker Daltonics' ?
'Ciphergen Biosystems' ?
'Charles Evans & Associates' ?
'Comstock Inc.' ?
In-Situ ?
Micromass ?
'Hitachi Instruments' ?
'JEOL USA' ?
'Kore Technology Ltd.' ?
'Kratos Analytical' ?
LECO ?
'MKS Instruments' ?
'PE Biosystems' ?
'Perkin Elmer' ?
'Prolab Resources' ?
'Sensar Larson Davis' ?
'Shimadzu Scientific Instruments Inc.' ?
'Thermo Scientific' ?
stop_
save_
save__mass_spectrometer_view.model
_item_description.description
;
The name or acronym used to describe the model of the spectrometer.
;
_item.name '_mass_spectrometer_view.model'
_item.category_id 'mass_spectrometer_view'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__mass_spectrometer_view.type
_item_description.description
;
Approximate strength of the magnetic field for the spectrometer as defined
by the proton frequency of the instrument expressed in MHz.
;
_item.name '_mass_spectrometer_view.type'
_item.category_id 'mass_spectrometer_view'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
Q-TOF ?
'ion TRAP' ?
FTMS ?
Quadrupole ?
stop_
save_
save__mass_spectrometer_view.fragmentation_method
_item_description.description
;
The kind of fragmentation method used by the defined mass spectrometer.
;
_item.name '_mass_spectrometer_view.fragmentation_method'
_item.category_id 'mass_spectrometer_view'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
CID ?
ETD 'electron-transfer dissociation'
IRMPD ?
stop_
save_
save__mass_spectrometer_view.ionization_method
_item_description.description
;
The kind of ionization method used by the defined mass spectrometer.
;
_item.name '_mass_spectrometer_view.ionization_method'
_item.category_id 'mass_spectrometer_view'
_item.mandatory_code no
_item_type.code 'line'
save_
save__mass_spectrometer_view.spectrum_type
_item_description.description
;
The type of spectrum produced by the mass spectrometer.
;
_item.name '_mass_spectrometer_view.spectrum_type'
_item.category_id 'mass_spectrometer_view'
_item.mandatory_code no
_item_type.code 'line'
save_
save__mass_spectrometer_view.serial_number
_item_description.description
;
Unique code assigned to a specific spectrometer by the manufacturer.
;
_item.name '_mass_spectrometer_view.serial_number'
_item.category_id 'mass_spectrometer_view'
_item.mandatory_code no
_item_type.code 'line'
save_
save__mass_spectrometer_view.details
_item_description.description
;
A text description of the Mass spectrometer.
;
_item.name '_mass_spectrometer_view.details'
_item.category_id 'mass_spectrometer_view'
_item.mandatory_code no
_item_type.code 'text'
save_
save__mass_spectrometer_view.citation_id
_item_description.description
;
Pointer to '_Citation.ID'
;
_item.name '_mass_spectrometer_view.citation_id'
_item.category_id 'mass_spectrometer_view'
_item.mandatory_code no
_item_type.code 'int'
save_
save__mass_spectrometer_view.citation_label
_item_description.description
;
Pointer to a saveframe of the category citation.
;
_item.name '_mass_spectrometer_view.citation_label'
_item.category_id 'mass_spectrometer_view'
_item.mandatory_code no
_item_type.code 'framecode'
save_
save__mass_spectrometer_view.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_mass_spectrometer_view.entry_id'
_item.category_id 'mass_spectrometer_view'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__mass_spectrometer_view.mass_spectrometer_list_id
_item_description.description
;
Pointer to '_Mass_spectrometer_list.ID'
;
_item.name '_mass_spectrometer_view.mass_spectrometer_list_id'
_item.category_id 'mass_spectrometer_view'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_mass_spec_ref_compd_set
_category.description
;
Items in the mass_spec_ref_compd_set category provide meta data regarding a set of reference compounds used in carrying out mass spectrometry experiments.
;
_category.id 'mass_spec_ref_compd_set'
loop_
_category_key.name
'_mass_spec_ref_compd_set.entry_id'
'_mass_spec_ref_compd_set.id'
stop_
loop_
_category_group.id
'inclusive_group'
'mass_spec_ref_compd'
stop_
save_
save__mass_spec_ref_compd_set.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_mass_spec_ref_compd_set.sf_category'
_item.category_id 'mass_spec_ref_compd_set'
_item.mandatory_code no
_item_type.code 'code'
save_
save__mass_spec_ref_compd_set.sf_framecode
_item_description.description
;
A label that uniquely identifies the mass reference compound.
;
_item.name '_mass_spec_ref_compd_set.sf_framecode'
_item.category_id 'mass_spec_ref_compd_set'
_item.mandatory_code no
_item_type.code 'framecode'
save_
save__mass_spec_ref_compd_set.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_mass_spec_ref_compd_set.entry_id'
_item.category_id 'mass_spec_ref_compd_set'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__mass_spec_ref_compd_set.id
_item_description.description
;
A value that uniquely identifies the mass reference compound from other
mass reference compounds listed in the entry.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_mass_spec_ref_compd_set.id' 'mass_spec_ref_compd_set' yes
'_mass_spec_ref_compd.mass_spec_ref_compd_set_id' 'mass_spec_ref_compd' yes
'_mz_ratio_data_list.mass_spec_ref_compd_set_id' 'mz_ratio_data_list' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_mass_spec_ref_compd.mass_spec_ref_compd_set_id' '_mass_spec_ref_compd_set.id'
'_mz_ratio_data_list.mass_spec_ref_compd_set_id' '_mass_spec_ref_compd_set.id'
stop_
_item_type.code 'int'
save_
save__mass_spec_ref_compd_set.name
_item_description.description
;
A name assigned to the save frame.
;
_item.name '_mass_spec_ref_compd_set.name'
_item.category_id 'mass_spec_ref_compd_set'
_item.mandatory_code no
_item_type.code 'line'
save_
save__mass_spec_ref_compd_set.details
_item_description.description
;
A text description of the mass reference compound.
;
_item.name '_mass_spec_ref_compd_set.details'
_item.category_id 'mass_spec_ref_compd_set'
_item.mandatory_code no
_item_type.code 'text'
save_
save_mass_spec_ref_compd
_category.description
;
Items in the mass_spec_ref_compd category records information about the compounds used as references in a mass spectrometry experiment.
;
_category.id 'mass_spec_ref_compd'
loop_
_category_key.name
'_mass_spec_ref_compd.id'
'_mass_spec_ref_compd.entry_id'
'_mass_spec_ref_compd.mass_spec_ref_compd_set_id'
stop_
loop_
_category_group.id
'inclusive_group'
'mass_spec_ref_compd'
stop_
save_
save__mass_spec_ref_compd.id
_item_description.description
;
Unique local identifier assigned to the mass reference compound.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_mass_spec_ref_compd.id' 'mass_spec_ref_compd' yes
'_mz_ratio_data_list.mass_spec_ref_compd_id' 'mz_ratio_data_list' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_mz_ratio_data_list.mass_spec_ref_compd_id' '_mass_spec_ref_compd.id'
stop_
_item_type.code 'int'
save_
save__mass_spec_ref_compd.name
_item_description.description
;
Name for the mass reference compound.
;
_item.name '_mass_spec_ref_compd.name'
_item.category_id 'mass_spec_ref_compd'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__mass_spec_ref_compd.mono_isotopic_mass
_item_description.description
;
Mass of the compound calculated using the mass of the most abundant isotope
for each atom in the compound.
;
_item.name '_mass_spec_ref_compd.mono_isotopic_mass'
_item.category_id 'mass_spec_ref_compd'
_item.mandatory_code no
_item_type.code 'float'
save_
save__mass_spec_ref_compd.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_mass_spec_ref_compd.entry_id'
_item.category_id 'mass_spec_ref_compd'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__mass_spec_ref_compd.mass_spec_ref_compd_set_id
_item_description.description
;
Pointer to '_Mass_spec_ref_compd_set.ID'
;
_item.name '_mass_spec_ref_compd.mass_spec_ref_compd_set_id'
_item.category_id 'mass_spec_ref_compd'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_chromatographic_system
_category.description
;
Items in the chromatographic_system category record the information describing a chromatographic system used in separating chemical compounds.
;
_category.id 'chromatographic_system'
loop_
_category_key.name
'_chromatographic_system.entry_id'
'_chromatographic_system.id'
stop_
loop_
_category_group.id
'inclusive_group'
'chromatographic_system'
stop_
save_
save__chromatographic_system.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_chromatographic_system.sf_category'
_item.category_id 'chromatographic_system'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__chromatographic_system.sf_framecode
_item_description.description
;
A label that uniquely identifies the Mass spectrometer from other spectrometers
listed in the entry.
;
_item.name '_chromatographic_system.sf_framecode'
_item.category_id 'chromatographic_system'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__chromatographic_system.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_chromatographic_system.entry_id'
_item.category_id 'chromatographic_system'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__chromatographic_system.id
_item_description.description
;
A value that uniquely identifies the Mass spectrometer from other spectrometers
listed in the entry.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_chromatographic_system.id' 'chromatographic_system' yes
'_experiment.chromatographic_system_id' 'experiment' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_experiment.chromatographic_system_id' '_chromatographic_system.id'
stop_
_item_type.code 'int'
save_
save__chromatographic_system.name
_item_description.description
;
A name assigned to the save frame.
;
_item.name '_chromatographic_system.name'
_item.category_id 'chromatographic_system'
_item.mandatory_code no
_item_type.code 'line'
save_
save__chromatographic_system.type
_item_description.description
;
The type of chromatographic system attached to the mass spectrometer used
to separate a chemical mixture.
;
_item.name '_chromatographic_system.type'
_item.category_id 'chromatographic_system'
_item.mandatory_code no
_item_type.code 'line'
save_
save__chromatographic_system.pump_manufacturer
_item_description.description
;
Name of the company or other entity that built the Mass spectrometer.
;
_item.name '_chromatographic_system.pump_manufacturer'
_item.category_id 'chromatographic_system'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__chromatographic_system.pump_model
_item_description.description
;
The name or acronym used to describe the model of the spectrometer.
;
_item.name '_chromatographic_system.pump_model'
_item.category_id 'chromatographic_system'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__chromatographic_system.pump_serial_number
_item_description.description
;
Unique code assigned to a specific spectrometer by the manufacturer.
;
_item.name '_chromatographic_system.pump_serial_number'
_item.category_id 'chromatographic_system'
_item.mandatory_code no
_item_type.code 'line'
save_
save__chromatographic_system.autosampler_manufacturer
_item_description.description
;
Name of the manufacturer of the autosampler.
;
_item.name '_chromatographic_system.autosampler_manufacturer'
_item.category_id 'chromatographic_system'
_item.mandatory_code no
_item_type.code 'line'
save_
save__chromatographic_system.autosampler_model
_item_description.description
;
Model of the listed autosampler.
;
_item.name '_chromatographic_system.autosampler_model'
_item.category_id 'chromatographic_system'
_item.mandatory_code no
_item_type.code 'line'
save_
save__chromatographic_system.autosampler_serial_number
_item_description.description
;
Serial number of the listed autosampler.
;
_item.name '_chromatographic_system.autosampler_serial_number'
_item.category_id 'chromatographic_system'
_item.mandatory_code no
_item_type.code 'line'
save_
save__chromatographic_system.col_compartment_manufacturer
_item_description.description
;
Name of the manufacturer of the column compartment.
;
_item.name '_chromatographic_system.col_compartment_manufacturer'
_item.category_id 'chromatographic_system'
_item.mandatory_code no
_item_type.code 'line'
save_
save__chromatographic_system.col_compartment_model
_item_description.description
;
Model of the listed column compartment.
;
_item.name '_chromatographic_system.col_compartment_model'
_item.category_id 'chromatographic_system'
_item.mandatory_code no
_item_type.code 'line'
save_
save__chromatographic_system.col_compartment_serial_number
_item_description.description
;
Serial number of the listed column compartment.
;
_item.name '_chromatographic_system.col_compartment_serial_number'
_item.category_id 'chromatographic_system'
_item.mandatory_code no
_item_type.code 'line'
save_
save__chromatographic_system.details
_item_description.description
;
Text describing the chromatographic system.
;
_item.name '_chromatographic_system.details'
_item.category_id 'chromatographic_system'
_item.mandatory_code no
_item_type.code 'line'
save_
save_chromatographic_column
_category.description
;
Items in the chromatographic_column category record the characteristics of a column used in a chromatographic system for separating chemical compounds.
;
_category.id 'chromatographic_column'
loop_
_category_key.name
'_chromatographic_column.entry_id'
'_chromatographic_column.id'
stop_
loop_
_category_group.id
'inclusive_group'
'chromatographic_column'
stop_
save_
save__chromatographic_column.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_chromatographic_column.sf_category'
_item.category_id 'chromatographic_column'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__chromatographic_column.sf_framecode
_item_description.description
;
A label that uniquely identifies the Mass spectrometer from other spectrometers
listed in the entry.
;
_item.name '_chromatographic_column.sf_framecode'
_item.category_id 'chromatographic_column'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__chromatographic_column.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_chromatographic_column.entry_id'
_item.category_id 'chromatographic_column'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__chromatographic_column.id
_item_description.description
;
A value that uniquely identifies the Mass spectrometer from other spectrometers
listed in the entry.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_chromatographic_column.id' 'chromatographic_column' yes
'_experiment.chromatographic_column_id' 'experiment' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_experiment.chromatographic_column_id' '_chromatographic_column.id'
stop_
_item_type.code 'int'
save_
save__chromatographic_column.name
_item_description.description
;
A name assigned to the save frame.
;
_item.name '_chromatographic_column.name'
_item.category_id 'chromatographic_column'
_item.mandatory_code no
_item_type.code 'line'
save_
save__chromatographic_column.vendor
_item_description.description
;
Vendor from whom the chromatographic column was purchased.
;
_item.name '_chromatographic_column.vendor'
_item.category_id 'chromatographic_column'
_item.mandatory_code no
_item_type.code 'line'
save_
save__chromatographic_column.type
_item_description.description
;
The type of chromatographic column listed.
;
_item.name '_chromatographic_column.type'
_item.category_id 'chromatographic_column'
_item.mandatory_code no
_item_type.code 'line'
save_
save__chromatographic_column.packing_material
_item_description.description
;
The kind of packing material used in the chromatographic column.
;
_item.name '_chromatographic_column.packing_material'
_item.category_id 'chromatographic_column'
_item.mandatory_code no
_item_type.code 'line'
save_
save__chromatographic_column.packing_material_pore_size
_item_description.description
;
The pore size of the packing material used in the chromatographic column.
;
_item.name '_chromatographic_column.packing_material_pore_size'
_item.category_id 'chromatographic_column'
_item.mandatory_code no
_item_type.code 'float'
save_
save__chromatographic_column.width
_item_description.description
;
The width of the chromatographic column listed.
;
_item.name '_chromatographic_column.width'
_item.category_id 'chromatographic_column'
_item.mandatory_code no
_item_type.code 'float'
save_
save__chromatographic_column.length
_item_description.description
;
The length of the chromatographic column listed.
;
_item.name '_chromatographic_column.length'
_item.category_id 'chromatographic_column'
_item.mandatory_code no
_item_type.code 'float'
save_
save_fluorescence_instrument
_category.description
;
NOT AVAILABLE
;
_category.id 'fluorescence_instrument'
loop_
_category_key.name
'_fluorescence_instrument.entry_id'
'_fluorescence_instrument.id'
stop_
loop_
_category_group.id
'inclusive_group'
'fluorescence_instrument'
stop_
save_
save__fluorescence_instrument.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_fluorescence_instrument.sf_category'
_item.category_id 'fluorescence_instrument'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__fluorescence_instrument.sf_framecode
_item_description.description
;
A label that uniquely identifies the fluorescence instrument from other
Fluorescence instruments listed in the entry.
;
_item.name '_fluorescence_instrument.sf_framecode'
_item.category_id 'fluorescence_instrument'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__fluorescence_instrument.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_fluorescence_instrument.entry_id'
_item.category_id 'fluorescence_instrument'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__fluorescence_instrument.id
_item_description.description
;
A value that uniquely identifies the Fluorescence instrument from other
Fluorescence instruments listed in the entry.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_fluorescence_instrument.id' 'fluorescence_instrument' yes
'_experiment.fluorescence_instrument_id' 'experiment' yes
'_fret_expt.fluorescence_instrument_id' 'fret_expt' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_experiment.fluorescence_instrument_id' '_fluorescence_instrument.id'
'_fret_expt.fluorescence_instrument_id' '_fluorescence_instrument.id'
stop_
_item_type.code 'int'
save_
save__fluorescence_instrument.name
_item_description.description
;
A name assigned to the save frame.
;
_item.name '_fluorescence_instrument.name'
_item.category_id 'fluorescence_instrument'
_item.mandatory_code no
_item_type.code 'line'
save_
save__fluorescence_instrument.details
_item_description.description
;
A text description of the Fluorescence instrument.
;
_item.name '_fluorescence_instrument.details'
_item.category_id 'fluorescence_instrument'
_item.mandatory_code no
_item_type.code 'text'
save_
save__fluorescence_instrument.type
_item_description.description
;
The type of Fluorescence instrument used.
;
_item.name '_fluorescence_instrument.type'
_item.category_id 'fluorescence_instrument'
_item.mandatory_code no
_item_type.code 'line'
save_
save__fluorescence_instrument.manufacturer
_item_description.description
;
Name of the company or other entity that built the Fluorescence instrument.
;
_item.name '_fluorescence_instrument.manufacturer'
_item.category_id 'fluorescence_instrument'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__fluorescence_instrument.model
_item_description.description
;
The name or acronym used to describe the model of the Fluorescence instrument.
;
_item.name '_fluorescence_instrument.model'
_item.category_id 'fluorescence_instrument'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__fluorescence_instrument.serial_number
_item_description.description
;
Unique code assigned to a specific Fluorescence instrument by the manufacturer.
;
_item.name '_fluorescence_instrument.serial_number'
_item.category_id 'fluorescence_instrument'
_item.mandatory_code no
_item_type.code 'line'
save_
save_emr_instrument
_category.description
;
NOT AVAILABLE
;
_category.id 'emr_instrument'
loop_
_category_key.name
'_emr_instrument.entry_id'
'_emr_instrument.id'
stop_
loop_
_category_group.id
'inclusive_group'
'emr_instrument'
stop_
save_
save__emr_instrument.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_emr_instrument.sf_category'
_item.category_id 'emr_instrument'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__emr_instrument.sf_framecode
_item_description.description
;
A label that uniquely identifies the EMR instrument from other EMR instruments
listed in the entry.
;
_item.name '_emr_instrument.sf_framecode'
_item.category_id 'emr_instrument'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__emr_instrument.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_emr_instrument.entry_id'
_item.category_id 'emr_instrument'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__emr_instrument.id
_item_description.description
;
A value that uniquely identifies the EMR instrument from other EMR instruments
listed in the entry.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_emr_instrument.id' 'emr_instrument' yes
'_experiment.emr_instrument_id' 'experiment' yes
'_emr_expt.emr_instrument_id' 'emr_expt' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_experiment.emr_instrument_id' '_emr_instrument.id'
'_emr_expt.emr_instrument_id' '_emr_instrument.id'
stop_
_item_type.code 'int'
save_
save__emr_instrument.name
_item_description.description
;
A name assigned to the save frame.
;
_item.name '_emr_instrument.name'
_item.category_id 'emr_instrument'
_item.mandatory_code no
_item_type.code 'line'
save_
save__emr_instrument.details
_item_description.description
;
A text description of the EMR instrument.
;
_item.name '_emr_instrument.details'
_item.category_id 'emr_instrument'
_item.mandatory_code no
_item_type.code 'text'
save_
save__emr_instrument.type
_item_description.description
;
The type of EMR instrument used.
;
_item.name '_emr_instrument.type'
_item.category_id 'emr_instrument'
_item.mandatory_code no
_item_type.code 'line'
save_
save__emr_instrument.manufacturer
_item_description.description
;
Name of the company or other entity that built the EMR instrument.
;
_item.name '_emr_instrument.manufacturer'
_item.category_id 'emr_instrument'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__emr_instrument.model
_item_description.description
;
The name or acronym used to describe the model of the EMR instrument.
;
_item.name '_emr_instrument.model'
_item.category_id 'emr_instrument'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__emr_instrument.serial_number
_item_description.description
;
Unique code assigned to a specific EMR instrument by the manufacturer.
;
_item.name '_emr_instrument.serial_number'
_item.category_id 'emr_instrument'
_item.mandatory_code no
_item_type.code 'line'
save_
save_xray_instrument
_category.description
;
NOT AVAILABLE
;
_category.id 'xray_instrument'
loop_
_category_key.name
'_xray_instrument.entry_id'
'_xray_instrument.id'
stop_
loop_
_category_group.id
'inclusive_group'
'xray_instrument'
stop_
save_
save__xray_instrument.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_xray_instrument.sf_category'
_item.category_id 'xray_instrument'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__xray_instrument.sf_framecode
_item_description.description
;
A label that uniquely identifies the X-ray instrument from other X-ray
instruments listed in the entry.
;
_item.name '_xray_instrument.sf_framecode'
_item.category_id 'xray_instrument'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__xray_instrument.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_xray_instrument.entry_id'
_item.category_id 'xray_instrument'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__xray_instrument.id
_item_description.description
;
A value that uniquely identifies the X-ray instrument from other X-ray
instruments listed in the entry.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_xray_instrument.id' 'xray_instrument' yes
# BMRB/XML: turned off mandatory_code because of metabolomics database drops this item.
'_experiment.xray_instrument_id' 'experiment' no
'_saxs_expt.xray_instrument_id' 'saxs_expt' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_experiment.xray_instrument_id' '_xray_instrument.id'
'_saxs_expt.xray_instrument_id' '_xray_instrument.id'
stop_
_item_type.code 'int'
save_
save__xray_instrument.details
_item_description.description
;
A text description of the X-ray instrument.
;
_item.name '_xray_instrument.details'
_item.category_id 'xray_instrument'
_item.mandatory_code no
_item_type.code 'text'
save_
save__xray_instrument.location
_item_description.description
;
The location of the X-ray instrument (national facility or other location).
;
_item.name '_xray_instrument.location'
_item.category_id 'xray_instrument'
_item.mandatory_code no
_item_type.code 'line'
save_
save__xray_instrument.type
_item_description.description
;
The type of X-ray instrument uses.
;
_item.name '_xray_instrument.type'
_item.category_id 'xray_instrument'
_item.mandatory_code no
_item_type.code 'line'
save_
save__xray_instrument.manufacturer
_item_description.description
;
Name of the company or other entity that built the X-ray instrument.
;
_item.name '_xray_instrument.manufacturer'
_item.category_id 'xray_instrument'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__xray_instrument.model
_item_description.description
;
The name or acronym used to describe the model of the X-ray instrument.
;
_item.name '_xray_instrument.model'
_item.category_id 'xray_instrument'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__xray_instrument.serial_number
_item_description.description
;
Unique code assigned to a specific X-ray instrument by the manufacturer.
;
_item.name '_xray_instrument.serial_number'
_item.category_id 'xray_instrument'
_item.mandatory_code no
_item_type.code 'line'
save_
save__xray_instrument.detector_type
_item_description.description
;
The type of detector used.
;
_item.name '_xray_instrument.detector_type'
_item.category_id 'xray_instrument'
_item.mandatory_code no
_item_type.code 'line'
save_
save__xray_instrument.source
_item_description.description
;
The source used to generate the X-rays.
;
_item.name '_xray_instrument.source'
_item.category_id 'xray_instrument'
_item.mandatory_code no
_item_type.code 'line'
save_
save__xray_instrument.wavelength
_item_description.description
;
The wavelength used.
;
_item.name '_xray_instrument.wavelength'
_item.category_id 'xray_instrument'
_item.mandatory_code no
_item_type.code 'float'
save_
save__xray_instrument.saxs_detector_sample_distance
_item_description.description
;
The distance from the detector to the sample used for SAXS experiments.
;
_item.name '_xray_instrument.saxs_detector_sample_distance'
_item.category_id 'xray_instrument'
_item.mandatory_code no
_item_type.code 'float'
save_
save__xray_instrument.waxs_detector_sample_distance
_item_description.description
;
The distance from the detector to the sample used for WAXS experiments.
;
_item.name '_xray_instrument.waxs_detector_sample_distance'
_item.category_id 'xray_instrument'
_item.mandatory_code no
_item_type.code 'float'
save_
save_nmr_spectrometer
_category.description
;
Items in the NMR_spectrometer category describe an NMR spectrometer used to collect experimental data.
;
_category.id 'nmr_spectrometer'
loop_
_category_key.name
'_nmr_spectrometer.entry_id'
'_nmr_spectrometer.id'
stop_
loop_
_category_group.id
'inclusive_group'
'nmr_spectrometer'
stop_
save_
save__nmr_spectrometer.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_nmr_spectrometer.sf_category'
_item.category_id 'nmr_spectrometer'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__nmr_spectrometer.sf_framecode
_item_description.description
;
A label that uniquely identifies the NMR spectrometer from other spectrometers
listed in the entry.
;
_item.name '_nmr_spectrometer.sf_framecode'
_item.category_id 'nmr_spectrometer'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__nmr_spectrometer.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_nmr_spectrometer.entry_id'
_item.category_id 'nmr_spectrometer'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__nmr_spectrometer.id
_item_description.description
;
A value that uniquely identifies the NMR spectrometer from other spectrometers
listed in the entry.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_nmr_spectrometer.id' 'nmr_spectrometer' yes
'_nmr_spectrometer_citation.nmr_spectrometer_id' 'nmr_spectrometer_citation' yes
'_experiment.nmr_spectrometer_id' 'experiment' yes
'_nmr_spec_expt.nmr_spectrometer_id' 'nmr_spec_expt' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_nmr_spectrometer_citation.nmr_spectrometer_id' '_nmr_spectrometer.id'
'_experiment.nmr_spectrometer_id' '_nmr_spectrometer.id'
'_nmr_spec_expt.nmr_spectrometer_id' '_nmr_spectrometer.id'
stop_
_item_type.code 'int'
save_
save__nmr_spectrometer.name
_item_description.description
;
A name assigned to the save frame.
;
_item.name '_nmr_spectrometer.name'
_item.category_id 'nmr_spectrometer'
_item.mandatory_code no
_item_type.code 'line'
save_
save__nmr_spectrometer.details
_item_description.description
;
A text description of the NMR spectrometer.
;
_item.name '_nmr_spectrometer.details'
_item.category_id 'nmr_spectrometer'
_item.mandatory_code no
_item_type.code 'text'
save_
save__nmr_spectrometer.manufacturer
_item_description.description
;
Name of the company or other entity that built the NMR spectrometer.
;
_item.name '_nmr_spectrometer.manufacturer'
_item.category_id 'nmr_spectrometer'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
Bruker ?
GE ?
JEOL ?
Varian ?
Agilent ?
Cambridge ?
Oxford ?
FBML ?
Nicolet ?
Home-built ?
na ?
stop_
loop_
_item_examples.case
;
Bruker
;
stop_
save_
save__nmr_spectrometer.model
_item_description.description
;
The name or acronym used to describe the model of the spectrometer.
;
_item.name '_nmr_spectrometer.model'
_item.category_id 'nmr_spectrometer'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
# loop_
# _item_enumeration.value
# _item_enumeration.detail
#
# BMRB/XML: Eliminated the following enumerations.
# AM "from Bruker"
# AMX "from Bruker"
# ARX "from Bruker"
# Avance "from Bruker"
# CMX 'from Bruker'
# DMX "from Bruker"
# DPX "from Bruker"
# DRX "from Bruker"
# MSL "from Bruker"
# ECA "from JEOL"
# ECP "from JEOL"
# 'Uniform NMR System' "from Varian"
# INOVA "from Varian"
# Unity "from Varian"
# UnityPlus "from Varian"
# VXRS "from Varian"
# Gemini "from General Electric"
# GSX "from General Electric"
# GX "from General Electric"
# OMEGA "from General Electric"
# 'OMEGA PSG' "from General Electric"
#
# stop_
loop_
_item_examples.case
;
DMX
;
stop_
save_
save__nmr_spectrometer.serial_number
_item_description.description
;
Unique code assigned to a specific spectrometer by the manufacturer.
;
_item.name '_nmr_spectrometer.serial_number'
_item.category_id 'nmr_spectrometer'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
1234AB5678
;
stop_
save_
save__nmr_spectrometer.field_strength
_item_description.description
;
Approximate strength of the magnetic field for the spectrometer as defined
by the proton frequency of the instrument expressed in MHz.
;
_item.name '_nmr_spectrometer.field_strength'
_item.category_id 'nmr_spectrometer'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
400 ?
500 ?
600 ?
700 ?
750 ?
800 ?
850 ?
900 ?
920 ?
950 ?
1000 ?
1100 ?
1200 ?
# BMRB/XML: Added enumerations based on BMRB database.
200 ?
250 ?
300 ?
350 ?
450 ?
550 ?
720 ?
590 ?
470 ?
360 ?
270 ?
140 ?
120 ?
90 ?
na 'not available'
stop_
loop_
_item_examples.case
;
800
;
stop_
save_
save_nmr_spectrometer_citation
_category.description
;
Items in the NMR_spectrometer_citation category provide links to the citations category where literature references describing an NMR spectrometer can be found.
;
_category.id 'nmr_spectrometer_citation'
loop_
_category_key.name
'_nmr_spectrometer_citation.citation_id'
'_nmr_spectrometer_citation.entry_id'
'_nmr_spectrometer_citation.nmr_spectrometer_id'
stop_
loop_
_category_group.id
'inclusive_group'
'nmr_spectrometer'
stop_
save_
save__nmr_spectrometer_citation.citation_id
_item_description.description
;
Pointer to '_Citation.ID'
;
_item.name '_nmr_spectrometer_citation.citation_id'
_item.category_id 'nmr_spectrometer_citation'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__nmr_spectrometer_citation.citation_label
_item_description.description
;
Pointer to a saveframe of the category citation.
;
_item.name '_nmr_spectrometer_citation.citation_label'
_item.category_id 'nmr_spectrometer_citation'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__nmr_spectrometer_citation.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_nmr_spectrometer_citation.entry_id'
_item.category_id 'nmr_spectrometer_citation'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__nmr_spectrometer_citation.nmr_spectrometer_id
_item_description.description
;
Pointer to '_NMR_spectrometer.ID'
;
_item.name '_nmr_spectrometer_citation.nmr_spectrometer_id'
_item.category_id 'nmr_spectrometer_citation'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_nmr_spectrometer_list
_category.description
;
Items in the NMR_spectrometer_list category define a set of NMR spectrometers and their descriptions.
;
_category.id 'nmr_spectrometer_list'
loop_
_category_key.name
'_nmr_spectrometer_list.entry_id'
'_nmr_spectrometer_list.id'
stop_
loop_
_category_group.id
'inclusive_group'
'nmr_spectrometer_list'
stop_
save_
save__nmr_spectrometer_list.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_nmr_spectrometer_list.sf_category'
_item.category_id 'nmr_spectrometer_list'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__nmr_spectrometer_list.sf_framecode
_item_description.description
;
A label that uniquely identifies the NMR spectrometer from other spectrometers
listed in the entry.
;
_item.name '_nmr_spectrometer_list.sf_framecode'
_item.category_id 'nmr_spectrometer_list'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__nmr_spectrometer_list.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_nmr_spectrometer_list.entry_id'
_item.category_id 'nmr_spectrometer_list'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__nmr_spectrometer_list.id
_item_description.description
;
A value that uniquely identifies the NMR spectrometer from other spectrometers
listed in the entry.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_nmr_spectrometer_list.id' 'nmr_spectrometer_list' yes
'_nmr_spectrometer_view.nmr_spectrometer_list_id' 'nmr_spectrometer_view' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_nmr_spectrometer_view.nmr_spectrometer_list_id' '_nmr_spectrometer_list.id'
stop_
_item_type.code 'int'
save_
save__nmr_spectrometer_list.name
_item_description.description
;
A name assigned to the save frame.
;
_item.name '_nmr_spectrometer_list.name'
_item.category_id 'nmr_spectrometer_list'
_item.mandatory_code no
_item_type.code 'line'
save_
save_nmr_spectrometer_view
_category.description
;
Items in the NMR_spectrometer_view category provide a list of NMR spectrometers and descriptions for each spectrometer in the list.
;
_category.id 'nmr_spectrometer_view'
loop_
_category_key.name
'_nmr_spectrometer_view.id'
'_nmr_spectrometer_view.name'
'_nmr_spectrometer_view.entry_id'
'_nmr_spectrometer_view.nmr_spectrometer_list_id'
stop_
loop_
_category_group.id
'inclusive_group'
'nmr_spectrometer_list'
stop_
save_
save__nmr_spectrometer_view.id
_item_description.description
;
An integer value that uniquely identifies one NMR spectrometer from the
others in the table within an entry.
;
_item.name '_nmr_spectrometer_view.id'
_item.category_id 'nmr_spectrometer_view'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__nmr_spectrometer_view.name
_item_description.description
;
A unique name for the NMR spectrometer needs to be entered to make it possible
to reference the spectromer in later sections of the deposition.
;
_item.name '_nmr_spectrometer_view.name'
_item.category_id 'nmr_spectrometer_view'
_item.mandatory_code yes
_item_type.code 'line'
_item_default.value 'spectrometer_1'
loop_
_item_examples.case
;
spectrometer 1
;
stop_
save_
save__nmr_spectrometer_view.manufacturer
_item_description.description
;
Name of the company or other entity that built the NMR spectrometer.
;
_item.name '_nmr_spectrometer_view.manufacturer'
_item.category_id 'nmr_spectrometer_view'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
Bruker ?
GE ?
JEOL ?
Varian ?
Agilent ?
Cambridge ?
Oxford ?
FBML ?
Nicolet ?
Home-built ?
na ?
stop_
loop_
_item_examples.case
;
Bruker
;
stop_
save_
save__nmr_spectrometer_view.model
_item_description.description
;
The name or acronym used to describe the model of the spectrometer.
;
_item.name '_nmr_spectrometer_view.model'
_item.category_id 'nmr_spectrometer_view'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
# loop_
# _item_enumeration.value
# _item_enumeration.detail
#
# BMRB/XML: Eliminated the following enumerations.
# AM "from Bruker"
# AMX "from Bruker"
# ARX 'from Bruker'
# Avance "from Bruker"
# DMX "from Bruker"
# DPX "from Bruker"
# DRX "from Bruker"
# MSL "from Bruker"
# ECA "from JEOL"
# ECP "from JEOL"
# 'Uniform NMR System' "From Varian"
# INOVA "from Varian"
# Unity "from Varian"
# UnityPlus "from Varian"
# VXRS "from Varian"
# Gemini "from General Electric"
# GSX "from General Electric"
# GX "from General Electric"
# OMEGA "from General Electric"
# 'OMEGA PSG' "from General Electric"
#
# stop_
loop_
_item_examples.case
;
DMX
;
stop_
save_
save__nmr_spectrometer_view.serial_number
_item_description.description
;
Unique code assigned to a specific spectrometer by the manufacturer.
;
_item.name '_nmr_spectrometer_view.serial_number'
_item.category_id 'nmr_spectrometer_view'
_item.mandatory_code no
_item_type.code 'line'
loop_
_item_examples.case
;
1234AB5678
;
stop_
save_
save__nmr_spectrometer_view.field_strength
_item_description.description
;
Approximate strength of the magnetic field for the spectrometer as defined
by the proton frequency of the instrument expressed in MHz.
;
_item.name '_nmr_spectrometer_view.field_strength'
_item.category_id 'nmr_spectrometer_view'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
400 ?
500 ?
600 ?
700 ?
800 ?
900 ?
90 ?
120 ?
140 ?
200 ?
250 ?
270 ?
300 ?
350 ?
360 ?
450 ?
470 ?
550 ?
590 ?
720 ?
750 ?
850 ?
920 ?
950 ?
1000 ?
1100 ?
na 'not available'
stop_
loop_
_item_examples.case
;
800
;
stop_
save_
save__nmr_spectrometer_view.details
_item_description.description
;
A text description of the NMR spectrometer.
;
_item.name '_nmr_spectrometer_view.details'
_item.category_id 'nmr_spectrometer_view'
_item.mandatory_code no
_item_type.code 'text'
save_
save__nmr_spectrometer_view.citation_id
_item_description.description
;
Pointer to '_Citation.ID'
;
_item.name '_nmr_spectrometer_view.citation_id'
_item.category_id 'nmr_spectrometer_view'
_item.mandatory_code no
_item_type.code 'int'
save_
save__nmr_spectrometer_view.citation_label
_item_description.description
;
Pointer to a saveframe of the category citation.
;
_item.name '_nmr_spectrometer_view.citation_label'
_item.category_id 'nmr_spectrometer_view'
_item.mandatory_code no
_item_type.code 'framecode'
save_
save__nmr_spectrometer_view.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_nmr_spectrometer_view.entry_id'
_item.category_id 'nmr_spectrometer_view'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__nmr_spectrometer_view.nmr_spectrometer_list_id
_item_description.description
;
Pointer to '_NMR_spectrometer_list.ID'
;
_item.name '_nmr_spectrometer_view.nmr_spectrometer_list_id'
_item.category_id 'nmr_spectrometer_view'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_nmr_spectrometer_probe
_category.description
;
Items in the NMR_spectrometer_probe category describe an NMR spectrometer probe.
;
_category.id 'nmr_spectrometer_probe'
loop_
_category_key.name
'_nmr_spectrometer_probe.entry_id'
'_nmr_spectrometer_probe.id'
stop_
loop_
_category_group.id
'inclusive_group'
'nmr_spectrometer_probe'
stop_
save_
save__nmr_spectrometer_probe.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_nmr_spectrometer_probe.sf_category'
_item.category_id 'nmr_spectrometer_probe'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__nmr_spectrometer_probe.sf_framecode
_item_description.description
;
A label that uniquely identifies the probe from other probes listed in
the entry.
;
_item.name '_nmr_spectrometer_probe.sf_framecode'
_item.category_id 'nmr_spectrometer_probe'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__nmr_spectrometer_probe.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_nmr_spectrometer_probe.entry_id'
_item.category_id 'nmr_spectrometer_probe'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__nmr_spectrometer_probe.id
_item_description.description
;
A value that uniquely identifies the NMR probe from other probes listed
in the entry.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_nmr_spectrometer_probe.id' 'nmr_spectrometer_probe' yes
'_nmr_probe.nmr_spectrometer_probe_id' 'nmr_probe' yes
'_nmr_spectrometer_probe_citation.nmr_spectrometer_probe_id' 'nmr_spectrometer_probe_citation' yes
'_experiment.nmr_spectrometer_probe_id' 'experiment' yes
'_nmr_spec_expt.nmr_spectrometer_probe_id' 'nmr_spec_expt' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_nmr_probe.nmr_spectrometer_probe_id' '_nmr_spectrometer_probe.id'
'_nmr_spectrometer_probe_citation.nmr_spectrometer_probe_id' '_nmr_spectrometer_probe.id'
'_experiment.nmr_spectrometer_probe_id' '_nmr_spectrometer_probe.id'
'_nmr_spec_expt.nmr_spectrometer_probe_id' '_nmr_spectrometer_probe.id'
stop_
_item_type.code 'int'
save_
save__nmr_spectrometer_probe.name
_item_description.description
;
A name assigned to the save frame.
;
_item.name '_nmr_spectrometer_probe.name'
_item.category_id 'nmr_spectrometer_probe'
_item.mandatory_code no
_item_type.code 'line'
save_
save__nmr_spectrometer_probe.details
_item_description.description
;
Text information describing the NMR spectrometer probe.
;
_item.name '_nmr_spectrometer_probe.details'
_item.category_id 'nmr_spectrometer_probe'
_item.mandatory_code no
_item_type.code 'text'
save_
save__nmr_spectrometer_probe.manufacturer
_item_description.description
;
Name of the company or other entity that built the NMR probe.
;
_item.name '_nmr_spectrometer_probe.manufacturer'
_item.category_id 'nmr_spectrometer_probe'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
Agilent ?
Bruker ?
DOTY ?
GE ?
JEOL ?
Varian ?
na ?
stop_
save_
save__nmr_spectrometer_probe.model
_item_description.description
;
The name or acronym used to describe the model of the probe.
;
_item.name '_nmr_spectrometer_probe.model'
_item.category_id 'nmr_spectrometer_probe'
_item.mandatory_code yes
_item_type.code 'line'
save_
save__nmr_spectrometer_probe.serial_number
_item_description.description
;
Unique code assigned to a specific probe by the manufacturer.
;
_item.name '_nmr_spectrometer_probe.serial_number'
_item.category_id 'nmr_spectrometer_probe'
_item.mandatory_code no
_item_type.code 'line'
save_
save__nmr_spectrometer_probe.diameter
_item_description.description
;
The diameter of the probe bore.
;
_item.name '_nmr_spectrometer_probe.diameter'
_item.category_id 'nmr_spectrometer_probe'
_item.mandatory_code no
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'float'
# loop_
# _item_enumeration.value
# _item_enumeration.detail
# BMRB/XML: Eliminated the following enumerations.
# '1.7 mm' ?
# '3 mm' ?
# '5 mm' ?
# '8 mm' ?
# '10 mm' ?
# '20 mm' ?
#
# stop_
save_
save__nmr_spectrometer_probe.rotor_length
_item_description.description
;
Length of the rotor used in the probe.
;
_item.name '_nmr_spectrometer_probe.rotor_length'
_item.category_id 'nmr_spectrometer_probe'
_item.mandatory_code no
_item_type.code 'float'
save_
save__nmr_spectrometer_probe.rotor_composition
_item_description.description
;
Chemical composition of the rotor used in the probe.
;
_item.name '_nmr_spectrometer_probe.rotor_composition'
_item.category_id 'nmr_spectrometer_probe'
_item.mandatory_code no
_item_type.code 'line'
save_
save__nmr_spectrometer_probe.internal_volume
_item_description.description
;
The internal volume of the probe.
;
_item.name '_nmr_spectrometer_probe.internal_volume'
_item.category_id 'nmr_spectrometer_probe'
_item.mandatory_code no
_item_type.code 'float'
save_
save__nmr_spectrometer_probe.spacer_present
_item_description.description
;
A code indicating the presence of a spacer in the probe.
;
_item.name '_nmr_spectrometer_probe.spacer_present'
_item.category_id 'nmr_spectrometer_probe'
_item.mandatory_code no
_item_type.code 'yes_no'
loop_
_item_enumeration.value
_item_enumeration.detail
no ?
yes ?
stop_
save_
save_nmr_probe
_category.description
;
Items in the NMR_probe category describe the type of probe.
;
_category.id 'nmr_probe'
loop_
_category_key.name
'_nmr_probe.type'
'_nmr_probe.entry_id'
'_nmr_probe.nmr_spectrometer_probe_id'
stop_
loop_
_category_group.id
'inclusive_group'
'nmr_spectrometer_probe'
stop_
save_
save__nmr_probe.type
_item_description.description
;
The type of NMR probe installed in the NMR spectrometer used to collect data.
;
_item.name '_nmr_probe.type'
_item.category_id 'nmr_probe'
_item.mandatory_code yes
# _pdbx_item_enumeration_details.closed_flag no
_item_type.code 'line'
loop_
_item_enumeration.value
_item_enumeration.detail
'transmission line' ?
'home built' ?
'triple resonance' ?
'double resonance' ?
'inverse coil' ?
'solenoid coil' ?
'saddle coil' ?
'room temperature' ?
'cryogenically cooled' ?
na ?
stop_
save_
save__nmr_probe.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_nmr_probe.entry_id'
_item.category_id 'nmr_probe'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__nmr_probe.nmr_spectrometer_probe_id
_item_description.description
;
Pointer to '_NMR_spectrometer_probe.ID'
;
_item.name '_nmr_probe.nmr_spectrometer_probe_id'
_item.category_id 'nmr_probe'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_nmr_spectrometer_probe_citation
_category.description
;
Items in the NMR_spectrometer_probe_citation category provide pointers to the citations category.
;
_category.id 'nmr_spectrometer_probe_citation'
loop_
_category_key.name
'_nmr_spectrometer_probe_citation.citation_id'
'_nmr_spectrometer_probe_citation.entry_id'
'_nmr_spectrometer_probe_citation.nmr_spectrometer_probe_id'
stop_
loop_
_category_group.id
'inclusive_group'
'nmr_spectrometer_probe'
stop_
save_
save__nmr_spectrometer_probe_citation.citation_id
_item_description.description
;
Pointer to '_Citation.ID'
;
_item.name '_nmr_spectrometer_probe_citation.citation_id'
_item.category_id 'nmr_spectrometer_probe_citation'
_item.mandatory_code yes
_item_type.code 'int'
save_
save__nmr_spectrometer_probe_citation.citation_label
_item_description.description
;
Pointer to a saveframe of the category citation.
;
_item.name '_nmr_spectrometer_probe_citation.citation_label'
_item.category_id 'nmr_spectrometer_probe_citation'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__nmr_spectrometer_probe_citation.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_nmr_spectrometer_probe_citation.entry_id'
_item.category_id 'nmr_spectrometer_probe_citation'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__nmr_spectrometer_probe_citation.nmr_spectrometer_probe_id
_item_description.description
;
Pointer to '_NMR_spectrometer_probe.ID'
;
_item.name '_nmr_spectrometer_probe_citation.nmr_spectrometer_probe_id'
_item.category_id 'nmr_spectrometer_probe_citation'
_item.mandatory_code yes
_item_type.code 'int'
save_
save_experiment_list
_category.description
;
Items in the experiment_list category provide meta data about a set of experiments used to collect the data provided in an entry.
;
_category.id 'experiment_list'
loop_
_category_key.name
'_experiment_list.entry_id'
'_experiment_list.id'
stop_
loop_
_category_group.id
'inclusive_group'
'experiment_list'
stop_
save_
save__experiment_list.sf_category
_item_description.description
;
Category assigned to the information in the saveframe.
;
_item.name '_experiment_list.sf_category'
_item.category_id 'experiment_list'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__experiment_list.sf_framecode
_item_description.description
;
Descriptive label used to uniquely identify the NMR experiment list within
the entry.
;
_item.name '_experiment_list.sf_framecode'
_item.category_id 'experiment_list'
_item.mandatory_code yes
_item_type.code 'framecode'
save_
save__experiment_list.entry_id
_item_description.description
;
Pointer to '_Entry.ID'
;
_item.name '_experiment_list.entry_id'
_item.category_id 'experiment_list'
_item.mandatory_code yes
_item_type.code 'code'
save_
save__experiment_list.id
_item_description.description
;
Unique identifier for the list of NMR experiments.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_experiment_list.id' 'experiment_list' yes
'_experiment.experiment_list_id' 'experiment' yes
'_experiment_file.experiment_list_id' 'experiment_file' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_experiment.experiment_list_id' '_experiment_list.id'
'_experiment_file.experiment_list_id' '_experiment_list.id'
stop_
_item_type.code 'int'
save_
save__experiment_list.details
_item_description.description
;
Text providing further information describing the NMR experiment(s) listed.
;
_item.name '_experiment_list.details'
_item.category_id 'experiment_list'
_item.mandatory_code no
_item_type.code 'text'
loop_
_item_examples.case
;
The structure was determined using a combination of NOE and residual dipolar coupling data.
;
stop_
save_
save_experiment
_category.description
;
Items in the experiment category define the experiments carried out and the samples, sample conditions, and if relevant NMR spectrometer used in the experiment.
;
_category.id 'experiment'
loop_
_category_key.name
'_experiment.id'
'_experiment.entry_id'
'_experiment.experiment_list_id'
stop_
loop_
_category_group.id
'inclusive_group'
'experiment_list'
stop_
save_
save__experiment.id
_item_description.description
;
Unique identifier for each experiment listed.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_experiment.id' 'experiment' yes
'_experiment_file.experiment_id' 'experiment_file' yes
'_chem_shift_experiment.experiment_id' 'chem_shift_experiment' yes
'_coupling_constant_experiment.experiment_id' 'coupling_constant_experiment' yes
'_theoretical_coupling_constant_experiment.experiment_id' 'theoretical_coupling_constant_experiment' yes
'_spectral_peak_list.experiment_id' 'spectral_peak_list' yes
'_isotope_effect_experiment.experiment_id' 'isotope_effect_experiment' yes
'_chem_shift_perturbation_experiment.experiment_id' 'chem_shift_perturbation_experiment' yes
'_cs_anisotropy_experiment.experiment_id' 'cs_anisotropy_experiment' yes
'_rdc_experiment.experiment_id' 'rdc_experiment' yes
'_dipolar_coupling_experiment.experiment_id' 'dipolar_coupling_experiment' yes
'_spectral_density_experiment.experiment_id' 'spectral_density_experiment' yes
'_other_data_experiment.experiment_id' 'other_data_experiment' yes
'_chemical_rate_experiment.experiment_id' 'chemical_rate_experiment' yes
'_h_exch_rate_experiment.experiment_id' 'h_exch_rate_experiment' yes
'_h_exch_protection_fact_experiment.experiment_id' 'h_exch_protection_fact_experiment' yes
'_homonucl_noe_experiment.experiment_id' 'homonucl_noe_experiment' yes
'_heteronucl_noe_experiment.experiment_id' 'heteronucl_noe_experiment' yes
'_theoretical_heteronucl_noe_experiment.experiment_id' 'theoretical_heteronucl_noe_experiment' yes
'_heteronucl_t1_experiment.experiment_id' 'heteronucl_t1_experiment' yes
'_theoretical_heteronucl_t1_experiment.experiment_id' 'theoretical_heteronucl_t1_experiment' yes
'_heteronucl_t1rho_experiment.experiment_id' 'heteronucl_t1rho_experiment' yes
'_heteronucl_t2_experiment.experiment_id' 'heteronucl_t2_experiment' yes
'_theoretical_heteronucl_t2_experiment.experiment_id' 'theoretical_heteronucl_t2_experiment' yes
'_auto_relaxation_experiment.experiment_id' 'auto_relaxation_experiment' yes
'_theoretical_auto_relaxation_experiment.experiment_id' 'theoretical_auto_relaxation_experiment' yes
'_dipole_dipole_relax_experiment.experiment_id' 'dipole_dipole_relax_experiment' yes
'_cross_correlation_dd_experiment.experiment_id' 'cross_correlation_dd_experiment' yes
'_theoretical_cross_correlation_dd_experiment.experiment_id' 'theoretical_cross_correlation_dd_experiment' yes
'_cross_correlation_d_csa_experiment.experiment_id' 'cross_correlation_d_csa_experiment' yes
'_order_parameter_experiment.experiment_id' 'order_parameter_experiment' yes
'_ph_titration_experiment.experiment_id' 'ph_titration_experiment' yes
'_d_h_fract_factor_experiment.experiment_id' 'd_h_fract_factor_experiment' yes
'_binding_experiment.experiment_id' 'binding_experiment' yes
'_binding_result.experiment_id' 'binding_result' yes
'_deduced_secd_struct_experiment.experiment_id' 'deduced_secd_struct_experiment' yes
'_deduced_h_bond_experiment.experiment_id' 'deduced_h_bond_experiment' yes
'_conformer_family_coord_set_expt.experiment_id' 'conformer_family_coord_set_expt' yes
'_gen_dist_constraint_expt.experiment_id' 'gen_dist_constraint_expt' yes
'_distance_constraint_expt.experiment_id' 'distance_constraint_expt' yes
'_dist_constraint_value.source_experiment_id' 'dist_constraint_value' yes
'_torsion_angle_constraints_expt.experiment_id' 'torsion_angle_constraints_expt' yes
'_torsion_angle_constraint.source_experiment_id' 'torsion_angle_constraint' yes
'_rdc_constraint_expt.experiment_id' 'rdc_constraint_expt' yes
'_rdc_constraint.source_experiment_id' 'rdc_constraint' yes
'_j_three_bond_constraint_expt.experiment_id' 'j_three_bond_constraint_expt' yes
'_j_three_bond_constraint.source_experiment_id' 'j_three_bond_constraint' yes
'_ca_cb_constraint_expt.experiment_id' 'ca_cb_constraint_expt' yes
'_ca_cb_constraint.source_experiment_id' 'ca_cb_constraint' yes
'_h_chem_shift_constraint_expt.experiment_id' 'h_chem_shift_constraint_expt' yes
'_h_chem_shift_constraint.source_experiment_id' 'h_chem_shift_constraint' yes
'_saxs_constraint_expt.experiment_id' 'saxs_constraint_expt' yes
'_other_constraint_expt.experiment_id' 'other_constraint_expt' yes
'_mz_ratio_experiment.experiment_id' 'mz_ratio_experiment' yes
'_ms_chromatogram_experiment.experiment_id' 'ms_chromatogram_experiment' yes
stop_
loop_
_item_linked.child_name
_item_linked.parent_name
'_experiment_file.experiment_id' '_experiment.id'
'_chem_shift_experiment.experiment_id' '_experiment.id'
'_coupling_constant_experiment.experiment_id' '_experiment.id'
'_theoretical_coupling_constant_experiment.experiment_id' '_experiment.id'
'_spectral_peak_list.experiment_id' '_experiment.id'
'_isotope_effect_experiment.experiment_id' '_experiment.id'
'_chem_shift_perturbation_experiment.experiment_id' '_experiment.id'
'_cs_anisotropy_experiment.experiment_id' '_experiment.id'
'_rdc_experiment.experiment_id' '_experiment.id'
'_dipolar_coupling_experiment.experiment_id' '_experiment.id'
'_spectral_density_experiment.experiment_id' '_experiment.id'
'_other_data_experiment.experiment_id' '_experiment.id'
'_chemical_rate_experiment.experiment_id' '_experiment.id'
'_h_exch_rate_experiment.experiment_id' '_experiment.id'
'_h_exch_protection_fact_experiment.experiment_id' '_experiment.id'
'_homonucl_noe_experiment.experiment_id' '_experiment.id'
'_heteronucl_noe_experiment.experiment_id' '_experiment.id'
'_theoretical_heteronucl_noe_experiment.experiment_id' '_experiment.id'
'_heteronucl_t1_experiment.experiment_id' '_experiment.id'
'_theoretical_heteronucl_t1_experiment.experiment_id' '_experiment.id'
'_heteronucl_t1rho_experiment.experiment_id' '_experiment.id'
'_heteronucl_t2_experiment.experiment_id' '_experiment.id'
'_theoretical_heteronucl_t2_experiment.experiment_id' '_experiment.id'
'_auto_relaxation_experiment.experiment_id' '_experiment.id'
'_theoretical_auto_relaxation_experiment.experiment_id' '_experiment.id'
'_dipole_dipole_relax_experiment.experiment_id' '_experiment.id'
'_cross_correlation_dd_experiment.experiment_id' '_experiment.id'
'_theoretical_cross_correlation_dd_experiment.experiment_id' '_experiment.id'
'_cross_correlation_d_csa_experiment.experiment_id' '_experiment.id'
'_order_parameter_experiment.experiment_id' '_experiment.id'
'_ph_titration_experiment.experiment_id' '_experiment.id'
'_d_h_fract_factor_experiment.experiment_id' '_experiment.id'
'_binding_experiment.experiment_id' '_experiment.id'
'_binding_result.experiment_id' '_experiment.id'
'_deduced_secd_struct_experiment.experiment_id' '_experiment.id'
'_deduced_h_bond_experiment.experiment_id' '_experiment.id'
'_conformer_family_coord_set_expt.experiment_id' '_experiment.id'
'_gen_dist_constraint_expt.experiment_id' '_experiment.id'
'_distance_constraint_expt.experiment_id' '_experiment.id'
'_dist_constraint_value.source_experiment_id' '_experiment.id'
'_torsion_angle_constraints_expt.experiment_id' '_experiment.id'
'_torsion_angle_constraint.source_experiment_id' '_experiment.id'
'_rdc_constraint_expt.experiment_id' '_experiment.id'
'_rdc_constraint.source_experiment_id' '_experiment.id'
'_j_three_bond_constraint_expt.experiment_id' '_experiment.id'
'_j_three_bond_constraint.source_experiment_id' '_experiment.id'
'_ca_cb_constraint_expt.experiment_id' '_experiment.id'
'_ca_cb_constraint.source_experiment_id' '_experiment.id'
'_h_chem_shift_constraint_expt.experiment_id' '_experiment.id'
'_h_chem_shift_constraint.source_experiment_id' '_experiment.id'
'_saxs_constraint_expt.experiment_id' '_experiment.id'
'_other_constraint_expt.experiment_id' '_experiment.id'
'_mz_ratio_experiment.experiment_id' '_experiment.id'
'_ms_chromatogram_experiment.experiment_id' '_experiment.id'
stop_
_item_type.code 'int'
save_
save__experiment.name
_item_description.description
;
Names for NMR experiments commonly found in the literature.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_experiment.name' 'experiment' yes
'_chem_shift_experiment.experiment_name' 'chem_shift_experiment' yes
'_coupling_constant_experiment.experiment_name' 'coupling_constant_experiment' yes
'_theoretical_coupling_constant_experiment.experiment_name' 'theoretical_coupling_constant_experiment' yes
'_spectral_peak_list.experiment_name' 'spectral_peak_list' yes
'_isotope_effect_experiment.experiment_name' 'isotope_effect_experiment' yes
'_chem_shift_perturbation_experiment.experiment_name' 'chem_shift_perturbation_experiment' yes
'_cs_anisotropy_experiment.experiment_name' 'cs_anisotropy_experiment' yes
'_rdc_experiment.experiment_name' 'rdc_experiment' yes
'_dipolar_coupling_experiment.experiment_name' 'dipolar_coupling_experiment' yes
'_spectral_density_experiment.experiment_name' 'spectral_density_experiment' yes
'_other_data_experiment.experiment_name' 'other_data_experiment' yes
'_chemical_rate_experiment.experiment_name' 'chemical_rate_experiment' yes
'_h_exch_rate_experiment.experiment_name' 'h_exch_rate_experiment' yes
'_h_exch_protection_fact_experiment.experiment_name' 'h_exch_protection_fact_experiment' yes
'_homonucl_noe