data_nef_c36167_5zcn 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 5ZCN 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 ASP N 1 9 GLU CD 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 ASP start -H2 . 2 A 2 GLY middle . false 3 A 3 MET middle . . 4 A 4 GLY middle . false 5 A 5 GLU middle . . 6 A 6 GLU middle . . 7 A 7 PHE middle . . 8 A 8 ILE middle . . 9 A 9 GLU middle . . 10 A 10 GLY middle . false 11 A 11 LEU middle . . 12 A 12 VAL middle . . 13 A 13 ARG middle . . 14 A 14 ASP middle . . 15 A 15 SER middle . . 16 A 16 LEU middle . . 17 A 17 TYR middle . . 18 A 18 PRO middle . false 19 A 19 PRO middle . false 20 A 20 ALA middle . . 21 A 21 GLY end . false 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 ASP H1 H 1 8.59 . A 1 ASP HA H 1 4.21 . A 1 ASP HBy H 1 2.89 . A 1 ASP HBx H 1 2.41 . A 2 GLY H H 1 8.61 . A 2 GLY HAy H 1 3.81 . A 2 GLY HAx H 1 3.73 . A 2 GLY CA C 13 44.1 . A 3 MET H H 1 9.24 . A 3 MET HA H 1 4.35 . A 3 MET HBy H 1 2.03 . A 3 MET HBx H 1 1.97 . A 3 MET HGy H 1 2.57 . A 3 MET HGx H 1 2.27 . A 3 MET CA C 13 52.5 . A 3 MET CB C 13 31.3 . A 3 MET CG C 13 29.5 . A 4 GLY H H 1 6.86 . A 4 GLY HAy H 1 3.82 . A 4 GLY HAx H 1 3.73 . A 4 GLY CA C 13 42.1 . A 5 GLU H H 1 8.61 . A 5 GLU HA H 1 4.42 . A 5 GLU HBy H 1 1.96 . A 5 GLU HBx H 1 1.64 . A 5 GLU HGy H 1 2.18 . A 5 GLU HGx H 1 2.05 . A 5 GLU CA C 13 51.4 . A 5 GLU CB C 13 26.3 . A 5 GLU CG C 13 30.0 . A 6 GLU H H 1 7.40 . A 6 GLU HA H 1 3.93 . A 6 GLU HBy H 1 1.86 . A 6 GLU HBx H 1 1.41 . A 6 GLU HGy H 1 2.06 . A 6 GLU HGx H 1 1.92 . A 7 PHE H H 1 8.03 . A 7 PHE HA H 1 4.63 . A 7 PHE HBy H 1 3.29 . A 7 PHE HBx H 1 2.16 . A 7 PHE HDx H 1 7.07 . A 7 PHE HDy H 1 7.07 . A 7 PHE HEx H 1 7.20 . A 7 PHE HEy H 1 7.20 . A 7 PHE HZ H 1 7.13 . A 7 PHE CA C 13 51.9 . A 7 PHE CDx C 13 130.3 . A 7 PHE CDy C 13 130.3 . A 7 PHE CEx C 13 127.9 . A 7 PHE CEy C 13 127.9 . A 7 PHE CZ C 13 126.1 . A 8 ILE H H 1 8.54 . A 8 ILE HA H 1 4.52 . A 8 ILE HB H 1 1.70 . A 8 ILE HD1% H 1 0.77 . A 8 ILE HG1y H 1 1.41 . A 8 ILE HG1x H 1 1.10 . A 8 ILE HG2% H 1 0.81 . A 8 ILE CA C 13 58.0 . A 8 ILE CB C 13 37.2 . A 8 ILE CD1 C 13 11.0 . A 8 ILE CG1 C 13 24.6 . A 8 ILE CG2 C 13 18.2 . A 9 GLU H H 1 8.53 . A 9 GLU HA H 1 4.19 . A 9 GLU HBy H 1 1.91 . A 9 GLU HBx H 1 1.69 . A 9 GLU HGy H 1 2.35 . A 9 GLU HGx H 1 2.18 . A 10 GLY H H 1 7.85 . A 10 GLY HA2 H 1 3.91 . A 10 GLY HA3 H 1 3.91 . A 10 GLY CA C 13 43.1 . A 11 LEU H H 1 8.38 . A 11 LEU HA H 1 3.95 . A 11 LEU HBx H 1 1.52 . A 11 LEU HBy H 1 1.53 . A 11 LEU HDx% H 1 0.89 . A 11 LEU HDy% H 1 0.83 . A 11 LEU HG H 1 1.64 . A 11 LEU CA C 13 54.1 . A 11 LEU CB C 13 40.4 . A 11 LEU CDy C 13 23.1 . A 11 LEU CDx C 13 21.5 . A 11 LEU CG C 13 26.3 . A 12 VAL H H 1 7.78 . A 12 VAL HA H 1 4.19 . A 12 VAL HB H 1 2.21 . A 12 VAL HG1% H 1 0.81 . A 12 VAL HG2% H 1 0.81 . A 12 VAL CA C 13 58.1 . A 12 VAL CB C 13 30.1 . A 12 VAL CGy C 13 20.6 . A 12 VAL CGx C 13 19.8 . A 13 ARG H H 1 7.20 . A 13 ARG HA H 1 4.62 . A 13 ARG HB2 H 1 1.70 . A 13 ARG HB3 H 1 1.70 . A 13 ARG HD2 H 1 3.00 . A 13 ARG HD3 H 1 3.00 . A 13 ARG HE H 1 7.26 . A 13 ARG HG2 H 1 1.54 . A 13 ARG HG3 H 1 1.54 . A 14 ASP H H 1 8.83 . A 14 ASP HA H 1 5.03 . A 14 ASP HB2 H 1 2.77 . A 14 ASP HB3 H 1 2.77 . A 14 ASP CA C 13 50.0 . A 14 ASP CB C 13 36.6 . A 15 SER H H 1 8.25 . A 15 SER HA H 1 4.89 . A 15 SER HBy H 1 3.63 . A 15 SER HBx H 1 3.24 . A 15 SER CA C 13 53.4 . A 15 SER CB C 13 65.2 . A 16 LEU HA H 1 4.08 . A 16 LEU HB2 H 1 1.95 . A 16 LEU HB3 H 1 1.95 . A 16 LEU HDx% H 1 0.67 . A 16 LEU HDy% H 1 0.93 . A 16 LEU HG H 1 0.80 . A 16 LEU CA C 13 54.3 . A 16 LEU CDx C 13 23.7 . A 17 TYR H H 1 9.15 . A 17 TYR HA H 1 4.51 . A 17 TYR HBy H 1 2.76 . A 17 TYR HBx H 1 2.62 . A 17 TYR HDx H 1 7.12 . A 17 TYR HDy H 1 7.12 . A 17 TYR HEx H 1 6.58 . A 17 TYR HEy H 1 6.58 . A 17 TYR HH H 1 9.15 . A 17 TYR CA C 13 52.6 . A 17 TYR CB C 13 34.3 . A 17 TYR CDx C 13 130.2 . A 17 TYR CDy C 13 130.2 . A 17 TYR CEx C 13 114.8 . A 17 TYR CEy C 13 114.8 . A 18 PRO HD2 H 1 3.50 . A 18 PRO HD3 H 1 3.50 . A 19 PRO HA H 1 4.26 . A 19 PRO HBy H 1 1.98 . A 19 PRO HBx H 1 1.84 . A 19 PRO HD2 H 1 3.21 . A 19 PRO HD3 H 1 3.21 . A 19 PRO HGy H 1 2.12 . A 19 PRO HGx H 1 1.94 . A 19 PRO CA C 13 59.4 . A 19 PRO CB C 13 29.2 . A 19 PRO CD C 13 47.1 . A 19 PRO CG C 13 24.8 . A 20 ALA H H 1 7.85 . A 20 ALA HA H 1 4.16 . A 20 ALA HB% H 1 1.15 . A 20 ALA C C 13 172.6 . A 20 ALA CA C 13 48.0 . A 20 ALA CB C 13 18.1 . A 21 GLY H H 1 8.00 . A 21 GLY HAy H 1 3.72 . A 21 GLY HAx H 1 3.68 . A 21 GLY CA C 13 40.6 . 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 1 ASP HA A 2 GLY H 1.0 1.8 5.0 2 2 A 3 MET H A 2 GLY HAy 1.0 1.8 6.0 3 2 A 2 GLY HAx A 3 MET H 1.0 1.8 6.0 4 3 A 3 MET HA A 4 GLY H 1.0 1.8 5.0 5 4 A 3 MET H A 3 MET HBy 1.0 1.8 6.0 6 4 A 3 MET H A 3 MET HBx 1.0 1.8 6.0 7 5 A 3 MET H A 3 MET HGy 1.0 1.8 6.0 8 5 A 3 MET H A 3 MET HGx 1.0 1.8 6.0 9 6 A 5 GLU H A 4 GLY HAy 1.0 1.8 6.0 10 6 A 4 GLY HAx A 5 GLU H 1.0 1.8 6.0 11 7 A 3 MET H A 4 GLY H 1.0 1.8 5.0 12 8 A 5 GLU HA A 6 GLU H 1.0 1.8 3.5 13 9 A 5 GLU HA A 15 SER H 1.0 1.8 5.0 14 10 A 5 GLU H A 5 GLU HBy 1.0 1.8 6.0 15 10 A 5 GLU H A 5 GLU HBx 1.0 1.8 6.0 16 11 A 6 GLU H A 5 GLU HBy 1.0 1.8 6.0 17 11 A 6 GLU H A 5 GLU HBx 1.0 1.8 6.0 18 12 A 5 GLU H A 5 GLU HGy 1.0 1.8 6.0 19 12 A 5 GLU H A 5 GLU HGx 1.0 1.8 6.0 20 13 A 6 GLU H A 6 GLU HBy 1.0 1.8 4.5 21 13 A 6 GLU H A 6 GLU HBx 1.0 1.8 4.5 22 14 A 7 PHE HD% A 6 GLU HBy 1.0 1.8 8.4 23 14 A 6 GLU HBx A 7 PHE HD% 1.0 1.8 8.4 24 15 A 7 PHE H A 6 GLU HBy 1.0 1.8 6.0 25 15 A 6 GLU HBx A 7 PHE H 1.0 1.8 6.0 26 16 A 6 GLU H A 6 GLU HGy 1.0 1.8 6.0 27 16 A 6 GLU H A 6 GLU HGx 1.0 1.8 6.0 28 17 A 7 PHE HD% A 6 GLU HGy 1.0 1.8 6.0 29 17 A 7 PHE HD% A 6 GLU HGx 1.0 1.8 6.0 30 18 A 5 GLU H A 6 GLU H 1.0 1.8 5.0 31 19 A 6 GLU H A 7 PHE H 1.0 1.8 3.5 32 20 A 6 GLU H A 15 SER H 1.0 1.8 5.0 33 21 A 7 PHE HA A 8 ILE H 1.0 1.8 3.5 34 22 A 7 PHE HA A 14 ASP H 1.0 1.8 5.0 35 23 A 7 PHE H A 7 PHE HBy 1.0 1.8 6.0 36 23 A 7 PHE H A 7 PHE HBx 1.0 1.8 6.0 37 24 A 8 ILE H A 7 PHE HBy 1.0 1.8 4.5 38 24 A 8 ILE H A 7 PHE HBx 1.0 1.8 4.5 39 25 A 7 PHE HD% A 7 PHE H 1.0 1.8 7.4 40 26 A 7 PHE HD% A 8 ILE H 1.0 1.8 7.4 41 27 A 7 PHE H A 8 ILE H 1.0 1.8 5.0 42 28 A 15 SER H A 7 PHE H 1.0 1.8 4.0 43 29 A 7 PHE H A 15 SER HBy 1.0 1.8 6.0 44 29 A 7 PHE H A 15 SER HBx 1.0 1.8 6.0 45 30 A 7 PHE HD% A 8 ILE HA 1.0 1.8 7.4 46 31 A 8 ILE HA A 7 PHE HE% 1.0 1.8 8.4 47 32 A 14 ASP H A 8 ILE HA 1.0 1.8 5.0 48 33 A 14 ASP H A 8 ILE HG2% 1.0 1.8 7.5 49 34 A 15 SER H A 8 ILE HA 1.0 1.8 5.0 50 35 A 8 ILE H A 8 ILE HB 1.0 1.8 3.5 51 36 A 8 ILE H A 8 ILE HD1% 1.0 1.8 6.5 52 37 A 8 ILE H A 8 ILE HG1y 1.0 1.8 6.0 53 37 A 8 ILE H A 8 ILE HG1x 1.0 1.8 6.0 54 38 A 8 ILE H A 8 ILE HG2% 1.0 1.8 6.5 55 39 A 9 GLU HA A 10 GLY H 1.0 1.8 5.0 56 40 A 9 GLU H A 9 GLU HBy 1.0 1.8 6.0 57 40 A 9 GLU HBx A 9 GLU H 1.0 1.8 6.0 58 41 A 10 GLY H A 9 GLU HBy 1.0 1.8 6.0 59 41 A 10 GLY H A 9 GLU HBx 1.0 1.8 6.0 60 42 A 15 SER H A 9 GLU HBy 1.0 1.8 6.0 61 42 A 15 SER H A 9 GLU HBx 1.0 1.8 6.0 62 43 A 9 GLU H A 9 GLU HGy 1.0 1.8 6.0 63 43 A 9 GLU H A 9 GLU HGx 1.0 1.8 6.0 64 44 A 15 SER H A 9 GLU HGy 1.0 1.8 6.0 65 44 A 15 SER H A 9 GLU HGx 1.0 1.8 6.0 66 45 A 11 LEU H A 10 GLY HA2 1.0 1.8 3.9 67 45 A 10 GLY HA3 A 11 LEU H 1.0 1.8 3.9 68 46 A 10 GLY HA3 A 11 LEU HDx% 1.0 1.8 8.4 69 46 A 10 GLY HA2 A 11 LEU HDx% 1.0 1.8 8.4 70 46 A 11 LEU HDy% A 10 GLY HA2 1.0 1.8 8.4 71 46 A 10 GLY HA3 A 11 LEU HDy% 1.0 1.8 8.4 72 47 A 11 LEU HA A 12 VAL H 1.0 1.8 5.0 73 48 A 11 LEU H A 11 LEU HBx 1.0 1.8 3.9 74 48 A 11 LEU H A 11 LEU HBy 1.0 1.8 3.9 75 49 A 12 VAL H A 11 LEU HBx 1.0 1.8 6.0 76 49 A 12 VAL H A 11 LEU HBy 1.0 1.8 6.0 77 50 A 11 LEU H A 11 LEU HDx% 1.0 1.8 7.4 78 50 A 11 LEU H A 11 LEU HDy% 1.0 1.8 7.4 79 51 A 11 LEU H A 11 LEU HG 1.0 1.8 3.5 80 52 A 9 GLU HA A 11 LEU H 1.0 1.8 5.0 81 53 A 11 LEU H A 12 VAL H 1.0 1.8 3.5 82 54 A 12 VAL HA A 13 ARG H 1.0 1.8 5.0 83 55 A 12 VAL H A 12 VAL HB 1.0 1.8 5.0 84 56 A 12 VAL H A 12 VAL HG1% 1.0 1.8 5.9 85 56 A 12 VAL H A 12 VAL HG2% 1.0 1.8 5.9 86 57 A 14 ASP H A 12 VAL HG1% 1.0 1.8 7.4 87 57 A 14 ASP H A 12 VAL HG2% 1.0 1.8 7.4 88 58 A 14 ASP H A 13 ARG HA 1.0 1.8 5.0 89 59 A 13 ARG H A 13 ARG HB2 1.0 1.8 6.0 90 59 A 13 ARG H A 13 ARG HB3 1.0 1.8 6.0 91 60 A 14 ASP H A 13 ARG HB2 1.0 1.8 6.0 92 60 A 14 ASP H A 13 ARG HB3 1.0 1.8 6.0 93 61 A 13 ARG H A 13 ARG HG2 1.0 1.8 6.0 94 61 A 13 ARG H A 13 ARG HG3 1.0 1.8 6.0 95 62 A 14 ASP H A 13 ARG HG2 1.0 1.8 6.0 96 62 A 14 ASP H A 13 ARG HG3 1.0 1.8 6.0 97 63 A 12 VAL H A 13 ARG H 1.0 1.8 5.0 98 64 A 14 ASP H A 13 ARG H 1.0 1.8 5.0 99 65 A 5 GLU HA A 14 ASP HA 1.0 1.8 5.0 100 66 A 7 PHE HA A 14 ASP HA 1.0 1.8 5.0 101 67 A 8 ILE HA A 14 ASP HA 1.0 1.8 5.0 102 68 A 13 ARG HA A 14 ASP HA 1.0 1.8 5.0 103 69 A 9 GLU H A 14 ASP HA 1.0 1.8 5.0 104 70 A 15 SER H A 14 ASP HA 1.0 1.8 3.5 105 71 A 14 ASP H A 14 ASP HB2 1.0 1.8 4.5 106 71 A 14 ASP H A 14 ASP HB3 1.0 1.8 4.5 107 72 A 15 SER H A 14 ASP HB2 1.0 1.8 6.0 108 72 A 15 SER H A 14 ASP HB3 1.0 1.8 6.0 109 73 A 15 SER H A 14 ASP H 1.0 1.8 5.0 110 74 A 2 GLY H A 15 SER HA 1.0 1.8 5.0 111 75 A 9 GLU H A 15 SER HA 1.0 1.8 5.0 112 76 A 7 PHE HD% A 15 SER HBy 1.0 1.8 6.0 113 76 A 7 PHE HD% A 15 SER HBx 1.0 1.8 6.0 114 77 A 7 PHE HE% A 15 SER HBy 1.0 1.8 6.0 115 77 A 15 SER HBx A 7 PHE HE% 1.0 1.8 6.0 116 78 A 9 GLU H A 15 SER HBy 1.0 1.8 6.0 117 78 A 15 SER HBx A 9 GLU H 1.0 1.8 6.0 118 79 A 15 SER H A 15 SER HBy 1.0 1.8 6.0 119 79 A 15 SER H A 15 SER HBx 1.0 1.8 6.0 120 80 A 6 GLU H A 16 LEU HA 1.0 1.8 3.5 121 81 A 16 LEU HA A 16 LEU HB2 1.0 1.8 6.0 122 81 A 16 LEU HA A 16 LEU HB3 1.0 1.8 6.0 123 82 A 17 TYR HD% A 16 LEU HDx% 1.0 1.8 9.8 124 82 A 16 LEU HDy% A 17 TYR HD% 1.0 1.8 9.8 125 83 A 17 TYR HE% A 16 LEU HDx% 1.0 1.8 9.8 126 83 A 16 LEU HDy% A 17 TYR HE% 1.0 1.8 9.8 127 84 A 17 TYR HH A 16 LEU HDx% 1.0 1.8 7.4 128 84 A 16 LEU HDy% A 17 TYR HH 1.0 1.8 7.4 129 85 A 17 TYR H A 17 TYR HBy 1.0 1.8 6.0 130 85 A 17 TYR HBx A 17 TYR H 1.0 1.8 6.0 131 86 A 17 TYR HA A 18 PRO HD2 1.0 1.8 6.0 132 86 A 18 PRO HD3 A 17 TYR HA 1.0 1.8 6.0 133 87 A 19 PRO HA A 20 ALA H 1.0 1.8 5.0 134 88 A 20 ALA H A 19 PRO HBy 1.0 1.8 5.0 135 88 A 20 ALA H A 19 PRO HBx 1.0 1.8 5.0 136 89 A 21 GLY H A 19 PRO HBy 1.0 1.8 6.0 137 89 A 19 PRO HBx A 21 GLY H 1.0 1.8 6.0 138 90 A 20 ALA H A 19 PRO HGy 1.0 1.8 6.0 139 90 A 20 ALA H A 19 PRO HGx 1.0 1.8 6.0 140 91 A 21 GLY H A 20 ALA HA 1.0 1.8 2.9 141 92 A 20 ALA H A 20 ALA HB% 1.0 1.8 4.4 142 93 A 21 GLY H A 20 ALA HB% 1.0 1.8 5.0 143 94 A 20 ALA H A 21 GLY H 1.0 1.8 5.0 144 95 A 6 GLU H A 4 GLY HAy 1.0 1.8 6.0 145 95 A 4 GLY HAx A 6 GLU H 1.0 1.8 6.0 146 96 A 15 SER H A 4 GLY HAy 1.0 1.8 6.0 147 96 A 4 GLY HAx A 15 SER H 1.0 1.8 6.0 148 97 A 5 GLU HA A 7 PHE H 1.0 1.8 5.0 149 98 A 7 PHE HD% A 6 GLU HA 1.0 1.8 7.4 150 99 A 7 PHE H A 6 GLU HA 1.0 1.8 5.0 151 100 A 7 PHE HE% A 6 GLU HBy 1.0 1.8 8.4 152 100 A 6 GLU HBx A 7 PHE HE% 1.0 1.8 8.4 153 101 A 7 PHE HZ A 6 GLU HBy 1.0 1.8 6.0 154 101 A 6 GLU HBx A 7 PHE HZ 1.0 1.8 6.0 155 102 A 7 PHE HE% A 6 GLU HGy 1.0 1.8 7.4 156 102 A 6 GLU HGx A 7 PHE HE% 1.0 1.8 7.4 157 103 A 15 SER H A 8 ILE HG2% 1.0 1.8 6.5 158 104 A 12 VAL H A 9 GLU HBy 1.0 1.8 6.0 159 104 A 9 GLU HBx A 12 VAL H 1.0 1.8 6.0 160 105 A 17 TYR HD% A 16 LEU HB2 1.0 1.8 8.4 161 105 A 16 LEU HB3 A 17 TYR HD% 1.0 1.8 8.4 162 106 A 17 TYR HE% A 16 LEU HB2 1.0 1.8 8.4 163 106 A 16 LEU HB3 A 17 TYR HE% 1.0 1.8 8.4 164 107 A 17 TYR H A 16 LEU HB2 1.0 1.8 6.0 165 107 A 16 LEU HB3 A 17 TYR H 1.0 1.8 6.0 166 108 A 4 GLY H A 16 LEU HG 1.0 1.8 5.0 167 109 A 6 GLU H A 16 LEU HG 1.0 1.8 5.0 168 110 A 17 TYR HD% A 16 LEU HG 1.0 1.8 5.9 169 111 A 17 TYR HE% A 16 LEU HG 1.0 1.8 5.9 170 112 A 17 TYR H A 16 LEU HG 1.0 1.8 5.0 171 113 A 17 TYR HD% A 18 PRO HD2 1.0 1.8 8.4 172 113 A 17 TYR HD% A 18 PRO HD3 1.0 1.8 8.4 173 114 A 5 GLU HA A 4 GLY HAy 1.0 1.8 6.0 174 114 A 4 GLY HAx A 5 GLU HA 1.0 1.8 6.0 175 115 A 16 LEU HA A 4 GLY HAy 1.0 1.8 6.0 176 115 A 4 GLY HAx A 16 LEU HA 1.0 1.8 6.0 177 116 A 5 GLU HA A 6 GLU HA 1.0 1.8 5.0 178 117 A 7 PHE HA A 6 GLU HA 1.0 1.8 5.0 179 118 A 5 GLU HA A 6 GLU HBy 1.0 1.8 6.0 180 118 A 5 GLU HA A 6 GLU HBx 1.0 1.8 6.0 181 119 A 16 LEU HA A 6 GLU HBy 1.0 1.8 6.0 182 119 A 6 GLU HBx A 16 LEU HA 1.0 1.8 6.0 183 120 A 8 ILE HD1% A 14 ASP HA 1.0 1.8 7.5 184 121 A 7 PHE HA A 8 ILE HG1y 1.0 1.8 6.0 185 121 A 7 PHE HA A 8 ILE HG1x 1.0 1.8 6.0 186 122 A 14 ASP HA A 9 GLU HBy 1.0 1.8 7.0 187 122 A 9 GLU HBx A 14 ASP HA 1.0 1.8 7.0 188 123 A 9 GLU HGx A 15 SER HBy 1.0 1.8 7.0 189 123 A 9 GLU HGy A 15 SER HBy 1.0 1.8 7.0 190 123 A 15 SER HBx A 9 GLU HGy 1.0 1.8 7.0 191 123 A 15 SER HBx A 9 GLU HGx 1.0 1.8 7.0 192 124 A 15 SER H A 13 ARG HA 1.0 1.8 5.0 193 125 A 2 GLY HAy A 13 ARG HB2 1.0 1.8 7.0 194 125 A 13 ARG HB3 A 2 GLY HAy 1.0 1.8 7.0 195 125 A 2 GLY HAx A 13 ARG HB3 1.0 1.8 7.0 196 125 A 2 GLY HAx A 13 ARG HB2 1.0 1.8 7.0 197 126 A 2 GLY HAy A 13 ARG HD2 1.0 1.8 7.0 198 126 A 2 GLY HAx A 13 ARG HD2 1.0 1.8 7.0 199 126 A 13 ARG HD3 A 2 GLY HAy 1.0 1.8 7.0 200 126 A 2 GLY HAx A 13 ARG HD3 1.0 1.8 7.0 201 127 A 2 GLY HAx A 13 ARG HG2 1.0 1.8 7.0 202 127 A 2 GLY HAy A 13 ARG HG2 1.0 1.8 7.0 203 127 A 13 ARG HG3 A 2 GLY HAy 1.0 1.8 7.0 204 127 A 2 GLY HAx A 13 ARG HG3 1.0 1.8 7.0 205 128 A 5 GLU HA A 13 ARG HG2 1.0 1.8 6.0 206 128 A 5 GLU HA A 13 ARG HG3 1.0 1.8 6.0 207 129 A 5 GLU HA A 14 ASP HB2 1.0 1.8 6.0 208 129 A 5 GLU HA A 14 ASP HB3 1.0 1.8 6.0 209 130 A 7 PHE HA A 15 SER HBy 1.0 1.8 6.0 210 130 A 7 PHE HA A 15 SER HBx 1.0 1.8 6.0 211 131 A 9 GLU HA A 15 SER HBy 1.0 1.8 6.0 212 131 A 15 SER HBx A 9 GLU HA 1.0 1.8 6.0 213 132 A 3 MET HA A 16 LEU HDx% 1.0 1.8 7.4 214 132 A 3 MET HA A 16 LEU HDy% 1.0 1.8 7.4 215 133 A 3 MET HGy A 16 LEU HDx% 1.0 1.8 8.4 216 133 A 3 MET HGx A 16 LEU HDx% 1.0 1.8 8.4 217 133 A 16 LEU HDy% A 3 MET HGy 1.0 1.8 8.4 218 133 A 3 MET HGx A 16 LEU HDy% 1.0 1.8 8.4 219 134 A 4 GLY HAy A 16 LEU HDx% 1.0 1.8 8.4 220 134 A 4 GLY HAx A 16 LEU HDx% 1.0 1.8 8.4 221 134 A 16 LEU HDy% A 4 GLY HAy 1.0 1.8 8.4 222 134 A 4 GLY HAx A 16 LEU HDy% 1.0 1.8 8.4 223 135 A 17 TYR H A 16 LEU HDx% 1.0 1.8 7.4 224 135 A 16 LEU HDy% A 17 TYR H 1.0 1.8 7.4 225 136 A 16 LEU HG A 4 GLY HAy 1.0 1.8 5.0 226 136 A 4 GLY HAx A 16 LEU HG 1.0 1.8 5.0 227 137 A 17 TYR HBy A 18 PRO HD2 1.0 1.8 7.0 228 137 A 17 TYR HBx A 18 PRO HD2 1.0 1.8 7.0 229 137 A 18 PRO HD3 A 17 TYR HBy 1.0 1.8 7.0 230 137 A 17 TYR HBx A 18 PRO HD3 1.0 1.8 7.0 231 138 A 17 TYR H A 18 PRO HD2 1.0 1.8 6.0 232 138 A 17 TYR H A 18 PRO HD3 1.0 1.8 6.0 233 139 A 19 PRO HA A 20 ALA HB% 1.0 1.8 6.5 234 140 A 20 ALA HB% A 21 GLY HAy 1.0 1.8 7.5 235 140 A 20 ALA HB% A 21 GLY HAx 1.0 1.8 7.5 236 141 A 5 GLU H A 16 LEU HA 1.0 1.8 5.0 237 142 A 5 GLU H A 16 LEU HG 1.0 1.8 5.0 238 143 A 5 GLU HA A 14 ASP H 1.0 1.8 6.0 239 144 A 2 GLY H A 9 GLU HGy 1.0 1.8 6.0 240 144 A 2 GLY H A 9 GLU HGx 1.0 1.8 6.0 241 145 A 4 GLY H A 16 LEU HDx% 1.0 1.8 7.4 242 145 A 4 GLY H A 16 LEU HDy% 1.0 1.8 7.4 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 5 GLU C A 6 GLU N A 6 GLU CA A 6 GLU C 1.0 -150.0 -90.0 PHI 2 2 A 8 ILE C A 9 GLU N A 9 GLU CA A 9 GLU C 1.0 -180.0 -20.0 PHI 3 3 A 13 ARG C A 14 ASP N A 14 ASP CA A 14 ASP C 1.0 -180.0 -20.0 PHI 4 4 A 14 ASP C A 15 SER N A 15 SER CA A 15 SER C 1.0 -180.0 -20.0 PHI 5 5 A 19 PRO C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 -160.0 -80.0 PHI stop_ save_