data_nef_c30692_6v4i 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 6V4I 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 2 TBG C 1 3 MEA N 1 2 TBG N 1 7 ITZ CJ 1 3 MEA C 1 4 PRO N 1 6 PRO C 1 7 ITZ 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 0 GLY start . false 2 A 1 TBG middle -OXT,-H2 . 3 A 2 MEA middle -H,-OXT . 4 A 3 PRO middle -H true 5 A 4 ILE middle . . 6 A 5 PRO middle -OXT false 7 A 6 ITZ end -OXT,-H2 . 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 TBG H H 1 7.840 0.013 A 1 TBG HA H 1 5.150 0.013 A 2 MEA H H 1 3.250 0.013 A 2 MEA HA H 1 4.550 0.013 A 3 PRO HA H 1 3.700 0.013 A 4 ILE H H 1 9.140 0.013 A 4 ILE HA H 1 4.220 0.013 A 5 PRO HA H 1 4.200 0.013 A 6 ITZ H1 H 1 8.240 0.013 A 6 ITZ HA H 1 5.330 0.013 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-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 4 ILE H A 3 PRO HA 1.0 0.0 5.0 2 2 A 4 ILE H A 3 PRO HDy 1.0 0.0 6.0 3 3 A 3 PRO HA A 4 ILE HA 1.0 0.0 6.0 4 4 A 4 ILE HA A 5 PRO HDx 1.0 0.0 4.0 5 4 A 4 ILE HA A 5 PRO HDy 1.0 0.0 4.0 6 5 A 4 ILE HB A 5 PRO HDx 1.0 0.0 6.0 7 5 A 4 ILE HB A 5 PRO HDy 1.0 0.0 6.0 8 6 A 4 ILE HG21 A 5 PRO HDx 1.0 0.0 6.0 9 6 A 4 ILE HG21 A 5 PRO HDy 1.0 0.0 6.0 10 7 A 4 ILE HG21 A 5 PRO HGx 1.0 0.0 6.0 11 7 A 4 ILE HG21 A 5 PRO HGy 1.0 0.0 6.0 12 8 A 4 ILE HD11 A 5 PRO HGx 1.0 0.0 7.0 13 8 A 5 PRO HGy A 4 ILE HD11 1.0 0.0 7.0 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type . save_