info:bmrb/467
type: datablock
references: doi:10.13018/BMR467
alternative label: bmr467
title: Characterization of Selectively 13C-Labeled Synthetic Melittin and Melittin Analogues in Isotropic Solvents by Circular Dichroism, Fluorescence, and NMR Spectroscopy
datablock name: 467
has assembly category: assemblyCategory
has assembly common name category: assembly common nameCategory
has assigned chem shift list category: assigned chem shift listCategory
has atom chem shift category: atom chem shiftCategory
has chem comp category: chem compCategory
has chem comp atom category: chem comp atomCategory
has chem comp bond category: chem comp bondCategory
has chem comp descriptor category: chem comp descriptorCategory
has chem comp identifier category: chem comp identifierCategory
has chem shift completeness char category: chem shift completeness charCategory
has chem shift completeness list category: chem shift completeness listCategory
has chem shift experiment category: chem shift experimentCategory
has chem shift ref category: chem shift refCategory
has chem shift reference category: chem shift referenceCategory
has citation category: citationCategory
has citation author category: citation authorCategory
has data set category: data setCategory
has datum category: datumCategory
has entity category: entityCategory
has entity assembly category: entity assemblyCategory
has entity common name category: entity common nameCategory
has entity comp index category: entity comp indexCategory
has entity db link category: entity db linkCategory
has entity experimental src category: entity experimental srcCategory
has entity experimental src list category: entity experimental src listCategory
has entity natural src category: entity natural srcCategory
has entity natural src list category: entity natural src listCategory
has entity poly seq category: entity poly seqCategory
has entry category: entryCategory
has entry author category: entry authorCategory
has experiment category: experimentCategory
has experiment list category: experiment listCategory
has nmr spectrometer category: nmr spectrometerCategory
has nmr spectrometer list category: nmr spectrometer listCategory
has nmr spectrometer view category: nmr spectrometer viewCategory
has release category: releaseCategory
has sample category: sampleCategory
has sample condition list category: sample condition listCategory
has sample condition variable category: sample condition variableCategory

467,1
type: assembly
of datablock: info:bmrb/467
reference to entry: entry
assembly.entry id: 467
assembly.id: 1
assembly.name: melittin
assembly.paramagnetic: no
assembly.sf category: assembly
assembly.sf framecode: system_melittin

1,467,melittin,system
type: assembly common name
of datablock: info:bmrb/467
assembly common name.assembly id: 1
assembly common name.entry id: 467
assembly common name.name: melittin
assembly common name.type: system

467,1
type: assigned chem shift list
of datablock: info:bmrb/467
reference to entry: entry
assigned chem shift list.entry id: 467
assigned chem shift list.id: 1
assigned chem shift list.chem shift reference id: 1
assigned chem shift list.chem shift reference label: chem_shift_reference_par_set_one
assigned chem shift list.sample condition list id: 1
assigned chem shift list.sample condition list label: sample_condition_set_one
assigned chem shift list.sf category: assigned_chemical_shifts
assigned chem shift list.sf framecode: chemical_shift_assignment_data_set_one

1,467,1
type: atom chem shift
of datablock: info:bmrb/467
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 467
atom chem shift.id: 1
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: GLY
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 42.77
atom chem shift.val err: 0.05

1,467,2
type: atom chem shift
of datablock: info:bmrb/467
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 467
atom chem shift.id: 2
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: TRP
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 17
atom chem shift.val: 124.31
atom chem shift.val err: 0.05

467,NH2
type: chem comp
of datablock: info:bmrb/467
reference to entry: entry
chem comp.entry id: 467
chem comp.id: NH2
chem comp.ambiguous flag: yes
chem comp.aromatic: no
chem comp.bmrb code: NH2
chem comp.formal charge: 0
chem comp.formula: H2 N
chem comp.formula weight: 16.023
chem comp.ideal coordinates details: OpenEye OEToolkits
chem comp.ideal coordinates missing flag: no
chem comp.inchi code: InChI=1/H3N/h1H3
chem comp.initial date: 1999-07-07Z
chem comp.model coordinates db code: 2FLY
chem comp.model coordinates missing flag: no
chem comp.modified date: 2011-12-13Z
chem comp.name: AMINO GROUP
chem comp.number atoms all: 3
chem comp.number atoms nh: 1
chem comp.pdb code: NH2
chem comp.processing site: RCSB
chem comp.provenance: PDB
chem comp.release status: REL
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_NH2
chem comp.three letter code: NH2
chem comp.type: NON-POLYMER

info:pdb-ccd/NH2

pdb-ccd:NH2

info:pdb.ligand/NH2

pdb.ligand:NH2

N,NH2,467
type: chem comp atom
of datablock: info:bmrb/467
reference to entry: entry
chem comp atom.atom id: N
chem comp atom.comp id: NH2
chem comp atom.entry id: 467
chem comp atom.align: 1
chem comp atom.alt atom id: N
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: N
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 10.091
chem comp atom.model cartn x ideal: 0.000
chem comp atom.model cartn y: 8.978
chem comp atom.model cartn y ideal: 0.000
chem comp atom.model cartn z: -7.810
chem comp atom.model cartn z ideal: 0.000
chem comp atom.pdb atom id: N
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: N
chem comp atom.type symbol: N

HN1,NH2,467
type: chem comp atom
of datablock: info:bmrb/467
reference to entry: entry
chem comp atom.atom id: HN1
chem comp atom.comp id: NH2
chem comp atom.entry id: 467
chem comp atom.align: 1
chem comp atom.alt atom id: 1HN
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HN1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 9.517
chem comp atom.model cartn x ideal: -0.385
chem comp atom.model cartn y: 8.769
chem comp atom.model cartn y ideal: -0.545
chem comp atom.model cartn z: -7.044
chem comp atom.model cartn z ideal: -0.771
chem comp atom.pdb atom id: HN1
chem comp atom.pdbx ordinal: 2
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HN2,NH2,467
type: chem comp atom
of datablock: info:bmrb/467
reference to entry: entry
chem comp atom.atom id: HN2
chem comp atom.comp id: NH2
chem comp atom.entry id: 467
chem comp atom.align: 1
chem comp atom.alt atom id: 2HN
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HN2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 10.323
chem comp atom.model cartn x ideal: 1.020
chem comp atom.model cartn y: 9.890
chem comp atom.model cartn y ideal: 0.000
chem comp atom.model cartn z: -8.082
chem comp atom.model cartn z ideal: 0.000
chem comp atom.pdb atom id: HN2
chem comp atom.pdbx ordinal: 3
chem comp atom.stereo config: N
chem comp atom.type symbol: H

NH2,467,1
type: chem comp bond
of datablock: info:bmrb/467
chem comp bond.comp id: NH2
chem comp bond.entry id: 467
chem comp bond.id: 1
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N
chem comp bond.atom id 2: HN1
chem comp bond.ordinal: 1
chem comp bond.stereo config: N
chem comp bond.value order: SING

NH2,467,2
type: chem comp bond
of datablock: info:bmrb/467
chem comp bond.comp id: NH2
chem comp bond.entry id: 467
chem comp bond.id: 2
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N
chem comp bond.atom id 2: HN2
chem comp bond.ordinal: 2
chem comp bond.stereo config: N
chem comp bond.value order: SING

http://bmrbpub.pdbj.org/rdf/bmr467/chem_comp_descriptor/NH2,InChI%3D1%2FH3N%2Fh1H3,467,na,1.02b,INCHI
type: chem comp descriptor
of datablock: info:bmrb/467
chem comp descriptor.comp id: NH2
chem comp descriptor.descriptor: InChI=1/H3N/h1H3
chem comp descriptor.entry id: 467
chem comp descriptor.program: na
chem comp descriptor.program version: 1.02b
chem comp descriptor.type: INCHI

NH2,N,467,ACD,10.04,SMILES
type: chem comp descriptor
of datablock: info:bmrb/467
chem comp descriptor.comp id: NH2
chem comp descriptor.descriptor: N
chem comp descriptor.entry id: 467
chem comp descriptor.program: ACD
chem comp descriptor.program version: 10.04
chem comp descriptor.type: SMILES

NH2,[NH2],467,CACTVS,3.341,SMILES
type: chem comp descriptor
of datablock: info:bmrb/467
chem comp descriptor.comp id: NH2
chem comp descriptor.descriptor: [NH2]
chem comp descriptor.entry id: 467
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES

NH2,[NH2],467,OECHEM,1.5.0,SMILES
type: chem comp descriptor
of datablock: info:bmrb/467
chem comp descriptor.comp id: NH2
chem comp descriptor.descriptor: [NH2]
chem comp descriptor.entry id: 467
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES

NH2,[NH2],467,CACTVS,3.341,SMILES CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/467
chem comp descriptor.comp id: NH2
chem comp descriptor.descriptor: [NH2]
chem comp descriptor.entry id: 467
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES_CANONICAL

NH2,[NH2],467,OECHEM,1.5.0,SMILES CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/467
chem comp descriptor.comp id: NH2
chem comp descriptor.descriptor: [NH2]
chem comp descriptor.entry id: 467
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES_CANONICAL

NH2,QGZKDVFQNNGYKY-UHFFFAOYAF,467,na,1.02b,INCHI
type: chem comp descriptor
of datablock: info:bmrb/467
chem comp descriptor.comp id: NH2
chem comp descriptor.descriptor: QGZKDVFQNNGYKY-UHFFFAOYAF
chem comp descriptor.entry id: 467
chem comp descriptor.program: na
chem comp descriptor.program version: 1.02b
chem comp descriptor.type: INCHI

NH2,467,ammonia,ACD,10.04,systematic name
type: chem comp identifier
of datablock: info:bmrb/467
chem comp identifier.comp id: NH2
chem comp identifier.entry id: 467
chem comp identifier.identifier: ammonia
chem comp identifier.program: ACD
chem comp identifier.program version: 10.04
chem comp identifier.type: systematic name

NH2,467,l {2}-azane,OECHEM,1.5.0,systematic name
type: chem comp identifier
of datablock: info:bmrb/467
chem comp identifier.comp id: NH2
chem comp identifier.entry id: 467
chem comp identifier.identifier: l^{2}-azane
chem comp identifier.program: OECHEM
chem comp identifier.program version: 1.5.0
chem comp identifier.type: systematic name

1,467,1
type: chem shift completeness char
of datablock: info:bmrb/467
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 467
chem shift completeness char.id: 1
chem shift completeness char.bb chem shift 13c coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 1
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 4670301

1,467,2
type: chem shift completeness char
of datablock: info:bmrb/467
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 467
chem shift completeness char.id: 2
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 2
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 4670301

1,467,3
type: chem shift completeness char
of datablock: info:bmrb/467
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 467
chem shift completeness char.id: 3
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 3
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 4670301

1,467,4
type: chem shift completeness char
of datablock: info:bmrb/467
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 467
chem shift completeness char.id: 4
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 4
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 4670301

1,467,5
type: chem shift completeness char
of datablock: info:bmrb/467
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 467
chem shift completeness char.id: 5
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 5
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 4670301

1,467,6
type: chem shift completeness char
of datablock: info:bmrb/467
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 467
chem shift completeness char.id: 6
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 6
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 4670301

1,467,7
type: chem shift completeness char
of datablock: info:bmrb/467
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 467
chem shift completeness char.id: 7
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 7
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 4670301

1,467,8
type: chem shift completeness char
of datablock: info:bmrb/467
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 467
chem shift completeness char.id: 8
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 8
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 4670301

1,467,9
type: chem shift completeness char
of datablock: info:bmrb/467
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 467
chem shift completeness char.id: 9
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 9
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.250
chem shift completeness char.sc chem shift coverage: 0.250
chem shift completeness char.sf id: 4670301

1,467,10
type: chem shift completeness char
of datablock: info:bmrb/467
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 467
chem shift completeness char.id: 10
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 10
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 4670301

1,467,11
type: chem shift completeness char
of datablock: info:bmrb/467
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 467
chem shift completeness char.id: 11
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 11
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 4670301

1,467,12
type: chem shift completeness char
of datablock: info:bmrb/467
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 467
chem shift completeness char.id: 12
chem shift completeness char.bb chem shift 13c coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 12
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 4670301

1,467,13
type: chem shift completeness char
of datablock: info:bmrb/467
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 467
chem shift completeness char.id: 13
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 13
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 4670301

1,467,14
type: chem shift completeness char
of datablock: info:bmrb/467
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 467
chem shift completeness char.id: 14
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 14
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 4670301

1,467,15
type: chem shift completeness char
of datablock: info:bmrb/467
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 467
chem shift completeness char.id: 15
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 15
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 4670301

1,467,16
type: chem shift completeness char
of datablock: info:bmrb/467
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 467
chem shift completeness char.id: 16
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 16
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 4670301

1,467,17
type: chem shift completeness char
of datablock: info:bmrb/467
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 467
chem shift completeness char.id: 17
chem shift completeness char.arom chem shift 13c coverage: 0.200
chem shift completeness char.arom chem shift coverage: 0.200
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.125
chem shift completeness char.chem shift coverage: 0.125
chem shift completeness char.comp id: TRP
chem shift completeness char.comp index id: 17
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.167
chem shift completeness char.sc chem shift coverage: 0.167
chem shift completeness char.sf id: 4670301

1,467,18
type: chem shift completeness char
of datablock: info:bmrb/467
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 467
chem shift completeness char.id: 18
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: SER
chem shift completeness char.comp index id: 18
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 4670301

1,467,19
type: chem shift completeness char
of datablock: info:bmrb/467
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 467
chem shift completeness char.id: 19
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
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1,467,20
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1,467,21
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1,467,22
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1,467,23
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1,467,24
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1,467,25
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1,467
type: chem shift completeness list
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reference to entry: entry
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chem shift completeness list.arom chem shift 13c fraction: 1/5
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chem shift completeness list.assigned residue coverage: 0.154
chem shift completeness list.bb chem shift 13c fraction: 5/72
chem shift completeness list.bb chem shift fraction: 5/72
chem shift completeness list.chem shift 13c fraction: 6/120
chem shift completeness list.chem shift fraction: 6/120
chem shift completeness list.electronic address: https://bmrbpub.pdbj.org/archive/cs_complete/bmr467_chem_shift_completeness.str
chem shift completeness list.entity polymer type: polypeptide(L)
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chem shift completeness list.queried date: 2020-07-22Z
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chem shift completeness list.sf category: chem_shift_completeness_list
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chem shift ref.mol common name: TMS
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type: chem shift reference
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467,1
type: citation
of datablock: info:bmrb/467
reference to entry: entry
citation.entry id: 467
citation.id: 1
citation.class: entry citation
citation.full citation: Weaver, Arthur J., Kemple, Marvin D., Prendergast, Franklyn G., "Characterization of Selectively 13C-Labeled Synthetic Melittin and Melittin Analogues in Isotropic Solvents by Circular Dichroism, Fluorescence, and NMR Spectroscopy," Biochemistry 28, 8614-8623 (1989).
citation.journal abbrev: Biochemistry
citation.journal issn: 0006-2960
citation.journal issue: 21
citation.journal name full: Biochemistry
citation.journal volume: 28
citation.page first: 8614
citation.page last: 8623
citation.pubmed id: 2605211
citation.sf category: citations
citation.sf framecode: entry_citation
citation.status: published
citation.title: Characterization of selectively 13C-labeled synthetic melittin and melittin analogues in isotropic solvents by circular dichroism, fluorescence, and NMR spectroscopy.
citation.type: journal
citation.year: 1989

urn:ISSN:0006-2960

issn:0006-2960

info:pmid/2605211

pubmed:2605211

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type: citation author
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citation author.ordinal: 1
citation author.family name: Weaver
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citation author.middle initials: J.
citation author.pdbx name: Weaver, A.J.

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citation author.ordinal: 2
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citation author.middle initials: D.
citation author.pdbx name: Kemple, M.D.

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citation author.family name: Prendergast
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citation author.pdbx name: Prendergast, F.G.

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datum.type: 13C chemical shifts
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type: entity
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entity.entry id: 467
entity.id: 1
entity.db query revised last date: 2014-05-11Z
entity.formula weight: 2717.324
entity.name: melittin
entity.number of monomers: 26
entity.parent entity id: 1
entity.polymer seq one letter code: GIGAVLKVLTTGLPALWSLIKRKRQX
entity.polymer seq one letter code can: GIGAVLKVLTTGLPALWSLIKRKRQ(NH2)
entity.polymer type: polypeptide(L)
entity.sf category: entity
entity.sf framecode: melittin
entity.type: polymer

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type: entity db link
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entity db link.accession code: 466
entity db link.database code: BMRB
entity db link.entity id: 1
entity db link.entry id: 467
entity db link.author supplied: no
entity db link.entry mol name: melittin
entity db link.seq homology expectation val: 6.25E-6
entity db link.seq identity: 100.00
entity db link.seq positive: 100.00
entity db link.seq query to submitted percent: 96.00
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info:bmrb/466

2269,BMRB,1,467
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entity db link.entry mol name: melittin
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info:bmrb/2269

460,BMRB,1,467
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info:bmrb/460

461,BMRB,1,467
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info:bmrb/461

462,BMRB,1,467
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entity db link.seq homology expectation val: 6.25E-6
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entity db link.seq positive: 100.00
entity db link.seq query to submitted percent: 96.00
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info:bmrb/462

463,BMRB,1,467
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info:bmrb/463

464,BMRB,1,467
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info:bmrb/464

465,BMRB,1,467
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info:bmrb/465

1,467,1
type: entity experimental src
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entity experimental src.id: 1
entity experimental src.citation id: 0
entity experimental src.entity chimera segment id: 0
entity experimental src.entity id: 1
entity experimental src.entity label: melittin
entity experimental src.host org genus: Not applicable
entity experimental src.host org name common: unidentified
entity experimental src.host org scientific name: unidentified
entity experimental src.host org species: unidentified
entity experimental src.production method: na

467,1
type: entity experimental src list
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entity natural src.entity label: melittin
entity natural src.fraction: venom
entity natural src.genus: Apis
entity natural src.kingdom: Metazoa
entity natural src.ncbi taxonomy id: 7460
entity natural src.organism name common: bee
entity natural src.organism name scientific: Apis mellifera
entity natural src.species: mellifera
entity natural src.superkingdom: Eukaryota
entity natural src.type: organism

info:taxonomy/7460

taxonomy:7460

467,1
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1,467,14
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entity poly seq.mon id: PRO

1,467,15
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1,467,16
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1,467,18
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1,467,19
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http://bmrbpub.pdbj.org/rdf/bmr467/entry/467
type: entry
of datablock: info:bmrb/467
entry.id: 467
entry.accession date: 1996-04-11Z
entry.experimental method: NMR
entry.last release date: 2010-06-10Z
entry.nmr star version: 3.1.1.61
entry.original release date: 1995-07-30Z
entry.origination: BMRB
entry.sf category: entry_information
entry.sf framecode: entry_information
entry.submission date: 1995-07-30Z
entry.title: Characterization of Selectively 13C-Labeled Synthetic Melittin and Melittin Analogues in Isotropic Solvents by Circular Dichroism, Fluorescence, and NMR Spectroscopy
entry.type: macromolecule
entry.version type: update

467,1
type: entry author
of datablock: info:bmrb/467
reference to entry: entry
entry author.entry id: 467
entry author.ordinal: 1
entry author.family name: Weaver
entry author.given name: Arthur
entry author.middle initials: J.
entry author.pdbx name: Weaver, A.J.

467,2
type: entry author
of datablock: info:bmrb/467
reference to entry: entry
entry author.entry id: 467
entry author.ordinal: 2
entry author.family name: Kemple
entry author.given name: Marvin
entry author.middle initials: D.
entry author.pdbx name: Kemple, M.D.

467,3
type: entry author
of datablock: info:bmrb/467
reference to entry: entry
entry author.entry id: 467
entry author.ordinal: 3
entry author.family name: Prendergast
entry author.given name: Franklyn
entry author.middle initials: G.
entry author.pdbx name: Prendergast, F.G.

467,1,1
type: experiment
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experiment.entry id: 467
experiment.experiment list id: 1
experiment.id: 1
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: na
experiment.nmr spectrometer id: 1
experiment.nmr spectrometer label: spectrometer_list
experiment.nmr spectrometer probe id: 0
experiment.sample condition list id: 1
experiment.sample condition list label: sample_condition_set_one
experiment.sample id: 1
experiment.sample label: sample_one
experiment.sample state: isotropic

467,1
type: experiment list
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467,1
type: nmr spectrometer
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nmr spectrometer.entry id: 467
nmr spectrometer.id: 1
nmr spectrometer.details: spectrometer information not available
nmr spectrometer.field strength: na
nmr spectrometer.manufacturer: na
nmr spectrometer.model: unknown
nmr spectrometer.sf category: NMR_spectrometer
nmr spectrometer.sf framecode: spectrometer_list

467,1
type: nmr spectrometer list
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reference to entry: entry
nmr spectrometer list.entry id: 467
nmr spectrometer list.id: 1
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467,1,spectrometer 1,1
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nmr spectrometer view.entry id: 467
nmr spectrometer view.id: 1
nmr spectrometer view.name: spectrometer_1
nmr spectrometer view.nmr spectrometer list id: 1
nmr spectrometer view.citation id: 0
nmr spectrometer view.details: spectrometer information not available
nmr spectrometer view.field strength: na
nmr spectrometer view.manufacturer: na
nmr spectrometer view.model: unknown

467,6
type: release
of datablock: info:bmrb/467
reference to entry: entry
release.entry id: 467
release.release number: 6
release.author: BMRB
release.date: 2010-06-10Z
release.detail: Complete natural source information
release.type: revision

467,5
type: release
of datablock: info:bmrb/467
reference to entry: entry
release.entry id: 467
release.release number: 5
release.author: BMRB
release.date: 2008-09-25Z
release.detail: Updating non-standard residue
release.type: revision

467,4
type: release
of datablock: info:bmrb/467
reference to entry: entry
release.entry id: 467
release.release number: 4
release.author: BMRB
release.date: 1999-06-13Z
release.detail: Converted to BMRB NMR-STAR V 2.1 format
release.type: revision

467,3
type: release
of datablock: info:bmrb/467
reference to entry: entry
release.entry id: 467
release.release number: 3
release.author: BMRB
release.date: 1996-04-11Z
release.detail: Error corrected in abrreviations given to non-polymers
release.type: revision

467,2
type: release
of datablock: info:bmrb/467
reference to entry: entry
release.entry id: 467
release.release number: 2
release.author: BMRB
release.date: 1996-03-24Z
release.detail: Converted to the BMRB 1996-03-01 STAR flat-file format
release.type: reformat

467,1
type: release
of datablock: info:bmrb/467
reference to entry: entry
release.entry id: 467
release.release number: 1
release.author: BMRB
release.date: 1995-07-30Z
release.detail: Last release in original BMRB flat-file format
release.type: original

467,1
type: sample
of datablock: info:bmrb/467
reference to entry: entry
sample.entry id: 467
sample.id: 1
sample.crystal grow method cit id: 0
sample.crystal grow seeding cit id: 0
sample.sf category: sample
sample.sf framecode: sample_one
sample.type: solution

467,1
type: sample condition list
of datablock: info:bmrb/467
reference to entry: entry
sample condition list.entry id: 467
sample condition list.id: 1
sample condition list.sf category: sample_conditions
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467,1,pH
type: sample condition variable
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sample condition variable.entry id: 467
sample condition variable.sample condition list id: 1
sample condition variable.type: pH
sample condition variable.val: 6
sample condition variable.val units: Not defined

467,1,temperature
type: sample condition variable
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sample condition variable.entry id: 467
sample condition variable.sample condition list id: 1
sample condition variable.type: temperature
sample condition variable.val: 293
sample condition variable.val units: K