data_nef_c34165_5ojt save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5OJT stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 4 DCY SG 1 8 LE1 SG 1 1 ACE C 1 2 ARG N 1 3 ALA C 1 4 DCY N 1 4 DCY C 1 5 ARG N 1 5 ARG C 1 6 NAL N 1 6 NAL C 1 7 HIS N 1 7 HIS C 1 8 LE1 N stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 ACE start . . 2 A 2 ARG middle -H2 . 3 A 3 ALA middle -OXT . 4 A 4 DCY middle -H2,-OXT . 5 A 5 ARG middle -H2,-OXT . 6 A 6 NAL middle -H2,-OXT . 7 A 7 HIS middle -H2,-OXT . 8 A 8 LE1 end -HNA . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 ACE H% H 1 2.218 0.000 A 2 ARG H H 1 8.119 0.000 A 2 ARG HA H 1 4.157 0.000 A 2 ARG HBx H 1 1.852 0.000 A 2 ARG HBy H 1 1.852 0.000 A 2 ARG HDx H 1 3.219 0.000 A 2 ARG HDy H 1 3.219 0.000 A 2 ARG HE H 1 7.145 0.001 A 2 ARG HGx H 1 1.728 0.000 A 2 ARG HGy H 1 1.728 0.000 A 3 ALA H H 1 8.440 0.000 A 3 ALA HA H 1 4.376 0.000 A 3 ALA HB% H 1 1.477 0.001 A 4 DCY H H 1 7.852 0.000 A 4 DCY HA H 1 4.350 0.000 A 4 DCY HBx H 1 3.168 0.000 A 4 DCY HBy H 1 3.286 0.000 A 5 ARG H H 1 8.096 0.000 A 5 ARG HA H 1 4.181 0.000 A 5 ARG HBx H 1 0.959 0.000 A 5 ARG HBy H 1 1.137 0.000 A 5 ARG HDx H 1 2.352 0.000 A 5 ARG HDy H 1 2.565 0.002 A 5 ARG HE H 1 6.663 0.000 A 5 ARG HGx H 1 0.679 0.000 A 5 ARG HGy H 1 0.851 0.000 A 6 NAL H H 1 8.240 0.000 A 6 NAL H1 H 1 7.745 0.000 A 6 NAL H3 H 1 7.441 0.001 A 6 NAL H4 H 1 7.797 0.000 A 6 NAL H5 H 1 7.377 0.000 A 6 NAL H6 H 1 7.714 0.001 A 6 NAL H9x H 1 3.084 0.001 A 6 NAL H9y H 1 3.255 0.000 A 6 NAL HA H 1 4.919 0.003 A 7 HIS H H 1 8.560 0.002 A 7 HIS HA H 1 4.561 0.002 A 7 HIS HBx H 1 2.940 0.000 A 7 HIS HBy H 1 3.422 0.000 A 7 HIS HD2 H 1 7.183 0.000 A 7 HIS HE1 H 1 8.489 0.001 A 8 LE1 H H 1 7.743 0.001 A 8 LE1 y% H 1 1.137 0.001 A 8 LE1 HA H 1 4.337 0.003 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 ARG H A 2 ARG HBx 1.0 . 3.99 2 1 A 2 ARG H A 2 ARG HBy 1.0 . 3.99 3 2 A 2 ARG H A 2 ARG HGx 1.0 . 4.76 4 2 A 2 ARG H A 2 ARG HGy 1.0 . 4.76 5 3 A 2 ARG H A 2 ARG HDx 1.0 . 6.38 6 3 A 2 ARG H A 2 ARG HDy 1.0 . 6.38 7 4 A 3 ALA H A 2 ARG H 1.0 . 3.24 8 5 A 2 ARG HA A 2 ARG HDx 1.0 . 5.60 9 5 A 2 ARG HA A 2 ARG HDy 1.0 . 5.60 10 6 A 2 ARG HA A 3 ALA H 1.0 . 3.02 11 7 A 2 ARG HA A 3 ALA HB% 1.0 . 6.31 12 8 A 2 ARG HE A 2 ARG HBx 1.0 . 5.42 13 8 A 2 ARG HBy A 2 ARG HE 1.0 . 5.42 14 9 A 3 ALA H A 2 ARG HBx 1.0 . 4.58 15 9 A 3 ALA H A 2 ARG HBy 1.0 . 4.58 16 10 A 3 ALA H A 2 ARG HGx 1.0 . 6.38 17 10 A 3 ALA H A 2 ARG HGy 1.0 . 6.38 18 11 A 3 ALA H A 3 ALA HB% 1.0 . 3.99 19 12 A 3 ALA HB% A 5 ARG H 1.0 . 5.29 20 13 A 3 ALA HB% A 5 ARG HDy 1.0 . 6.30 21 13 A 3 ALA HB% A 5 ARG HDx 1.0 . 6.30 22 14 A 3 ALA HB% A 5 ARG HE 1.0 . 6.53 23 15 A 5 ARG H A 5 ARG HBx 1.0 . 3.33 24 16 A 5 ARG H A 5 ARG HBy 1.0 . 3.33 25 17 A 5 ARG H A 5 ARG HBy 1.0 . 2.89 26 17 A 5 ARG H A 5 ARG HBx 1.0 . 2.89 27 18 A 5 ARG H A 5 ARG HGy 1.0 . 4.41 28 18 A 5 ARG H A 5 ARG HGx 1.0 . 4.41 29 19 A 5 ARG H A 7 HIS H 1.0 . 4.57 30 20 A 5 ARG HGx A 5 ARG HA 1.0 . 4.07 31 21 A 5 ARG HA A 5 ARG HGy 1.0 . 4.07 32 22 A 5 ARG HA A 5 ARG HDy 1.0 . 4.10 33 22 A 5 ARG HDx A 5 ARG HA 1.0 . 4.10 34 23 A 5 ARG HE A 5 ARG HBx 1.0 . 5.04 35 24 A 5 ARG HE A 5 ARG HBy 1.0 . 5.04 36 25 A 5 ARG HE A 5 ARG HGx 1.0 . 4.23 37 26 A 5 ARG HE A 5 ARG HGy 1.0 . 4.23 38 27 A 7 HIS H A 7 HIS HA 1.0 . 2.93 39 28 A 7 HIS H A 7 HIS HBx 1.0 . 3.48 40 29 A 7 HIS H A 7 HIS HBy 1.0 . 3.48 41 30 A 7 HIS HD2 A 7 HIS H 1.0 . 4.82 42 31 A 7 HIS HD2 A 7 HIS HA 1.0 . 3.76 stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 2 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 17 . folded . . 2 ppm . . 17 . folded . . stop_ save_