data_nef_c30347_6b35 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 6B35 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 1 DPN C 1 2 BE2 N2 1 1 DPN N 1 10 LEU C 1 2 BE2 C 1 3 PHE N 1 3 PHE C 1 4 DPN N 1 4 DPN C 1 5 ASN N 1 8 VAL C 1 9 ORN N 1 9 ORN C 1 10 LEU 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 DPN cyclic -OXT,-H2 . 2 A 2 BE2 middle . . 3 A 3 PHE middle -H2,-OXT . 4 A 4 DPN middle -H2,-OXT . 5 A 5 ASN middle -H2 . 6 A 6 LYS middle . . 7 A 7 TYR middle . . 8 A 8 VAL middle -OXT . 9 A 9 ORN middle -H2,-OXT . 10 A 10 LEU cyclic -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 DPN H H 1 7.985 0.002 A 1 DPN HA H 1 4.819 0.004 A 1 DPN HBy H 1 3.320 0.005 A 1 DPN HBx H 1 2.939 0.004 A 2 BE2 H3 H 1 7.862 0.001 A 2 BE2 H4 H 1 7.509 0.001 A 2 BE2 H5 H 1 7.222 0.001 A 2 BE2 H6 H 1 7.421 0.0 A 2 BE2 HN21 H 1 10.526 0.002 A 3 PHE H H 1 7.953 . A 3 PHE HA H 1 4.700 0.002 A 3 PHE HBy H 1 3.014 0.0 A 3 PHE HBx H 1 2.967 0.001 A 4 DPN H H 1 7.948 0.002 A 4 DPN HA H 1 4.899 0.002 A 4 DPN HBx H 1 2.918 0.004 A 4 DPN HBy H 1 2.922 0.007 A 5 ASN H H 1 8.331 0.002 A 5 ASN HA H 1 4.637 0.004 A 5 ASN HBx H 1 2.543 0.004 A 5 ASN HBy H 1 2.775 0.007 A 5 ASN HD21 H 1 6.627 0.003 A 5 ASN HD22 H 1 7.254 0.001 A 6 LYS H H 1 7.920 0.001 A 6 LYS HA H 1 3.862 0.002 A 6 LYS HB2 H 1 1.427 0.01 A 6 LYS HB3 H 1 1.427 0.01 A 6 LYS HE2 H 1 2.757 . A 6 LYS HE3 H 1 2.757 . A 7 TYR H H 1 7.945 0.001 A 7 TYR HA H 1 4.381 0.003 A 7 TYR HBy H 1 3.070 0.005 A 7 TYR HBx H 1 2.835 0.004 A 7 TYR HD1 H 1 7.040 0.002 A 7 TYR HD2 H 1 7.040 0.002 A 7 TYR HE1 H 1 6.743 0.003 A 7 TYR HE2 H 1 6.743 0.003 A 8 VAL H H 1 7.576 0.003 A 8 VAL HA H 1 4.112 0.002 A 8 VAL HB H 1 1.934 0.004 A 8 VAL HG1% H 1 0.792 0.004 A 8 VAL HG2% H 1 0.792 0.004 A 9 ORN H H 1 7.961 0.001 A 9 ORN HA H 1 4.448 0.003 A 9 ORN HBy H 1 1.784 0.003 A 9 ORN HBx H 1 1.681 0.002 A 9 ORN HDx H 1 2.830 0.003 A 9 ORN HDy H 1 2.830 0.003 A 9 ORN HE1 H 1 7.294 0.001 A 9 ORN HE2 H 1 7.294 0.001 A 9 ORN HE3 H 1 7.294 0.001 A 9 ORN HG2 H 1 1.565 0.003 A 9 ORN HG3 H 1 1.565 0.003 A 10 LEU H H 1 7.480 0.002 A 10 LEU HA H 1 4.460 0.004 A 10 LEU HB2 H 1 1.220 0.003 A 10 LEU HB3 H 1 1.220 0.003 A 10 LEU HDx% H 1 0.746 0.003 A 10 LEU HDy% H 1 0.799 0.003 A 10 LEU HG H 1 1.218 0.002 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 8 VAL HA A 8 VAL H 1.0 2.3 3.5 2 2 A 7 TYR HBx A 7 TYR HA 1.0 1.9 2.9 3 3 A 7 TYR HA A 7 TYR HBy 1.0 2.3 3.5 4 4 A 8 VAL H A 7 TYR HA 1.0 2.5 3.7 5 5 A 7 TYR H A 6 LYS HA 1.0 2.4 3.6 6 6 A 6 LYS HA A 6 LYS H 1.0 2.2 3.2 7 7 A 6 LYS H A 5 ASN HA 1.0 1.9 2.9 8 8 A 5 ASN HA A 5 ASN H 1.0 2.3 3.5 9 9 A 8 VAL H A 7 TYR HBx 1.0 2.9 4.3 10 10 A 8 VAL H A 7 TYR HBy 1.0 2.4 3.6 11 11 A 8 VAL H A 8 VAL HG2% 1.0 2.2 3.4 12 11 A 8 VAL H A 8 VAL HG1% 1.0 2.2 3.4 13 12 A 8 VAL H A 8 VAL HB 1.0 2.3 3.5 14 13 A 5 ASN H A 5 ASN HBy 1.0 3.0 4.4 15 14 A 5 ASN H A 5 ASN HBx 1.0 2.6 4.0 16 15 A 10 LEU HB2 A 10 LEU H 1.0 2.1 3.1 17 15 A 10 LEU HB3 A 10 LEU H 1.0 2.1 3.1 18 16 A 5 ASN H A 8 VAL HB 1.0 3.6 5.4 19 17 A 5 ASN H A 9 ORN HA 1.0 3.2 4.8 20 18 A 10 LEU HA A 10 LEU H 1.0 1.9 2.9 21 19 A 7 TYR HBy A 7 TYR HD% 1.0 1.9 2.9 22 20 A 7 TYR HBx A 7 TYR HD% 1.0 2.0 3.0 23 21 A 8 VAL HG2% A 5 ASN HD22 1.0 2.9 4.3 24 21 A 8 VAL HG1% A 5 ASN HD22 1.0 2.9 4.3 25 22 A 5 ASN HBx A 5 ASN HD22 1.0 3.3 4.9 26 23 A 5 ASN HA A 5 ASN HBy 1.0 2.1 3.1 27 24 A 5 ASN HA A 5 ASN HBx 1.0 2.0 3.0 28 25 A 8 VAL HA A 8 VAL HB 1.0 2.2 3.2 29 26 A 9 ORN HA A 9 ORN HBy 1.0 2.4 3.6 30 27 A 10 LEU HA A 10 LEU HB2 1.0 1.8 2.8 31 27 A 10 LEU HA A 10 LEU HB3 1.0 1.8 2.8 32 28 A 10 LEU HA A 10 LEU HDx% 1.0 2.0 3.0 33 29 A 10 LEU HA A 10 LEU HDy% 1.0 2.3 3.5 34 30 A 8 VAL HA A 8 VAL HG2% 1.0 1.9 2.9 35 30 A 8 VAL HA A 8 VAL HG1% 1.0 1.9 2.9 36 31 A 5 ASN HBy A 5 ASN HBx 1.0 1.7 2.4 37 32 A 5 ASN HD22 A 5 ASN HD21 1.0 2.1 3.1 38 33 A 7 TYR HA A 7 TYR HD% 1.0 2.0 3.0 39 34 A 5 ASN HBx A 5 ASN HD21 1.0 2.2 3.4 40 35 A 10 LEU H A 9 ORN HBy 1.0 3.0 4.4 41 36 A 8 VAL H A 5 ASN H 1.0 3.2 4.8 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _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 8 VAL C A 5 ASN N 1.0 1.7 4.0 2 2 A 5 ASN H A 8 VAL O 1.0 1.8 2.0 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 BE2 C A 3 PHE N A 3 PHE CA A 3 PHE C 1.0 -155.0 -85.0 PHI 2 2 A 5 ASN C A 6 LYS N A 6 LYS CA A 6 LYS C 1.0 -80.0 -40.0 PHI 3 3 A 7 TYR C A 8 VAL N A 8 VAL CA A 8 VAL C 1.0 -145.0 -95.0 PHI 4 4 A 9 ORN C A 10 LEU N A 10 LEU CA A 10 LEU C 1.0 -145.0 -95.0 PHI stop_ save_