data_nef_c34075_5mml 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 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 34074 PDB 5MML 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 16 LYS C 1 17 NH2 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 GLY start . false 2 A 2 ILE middle . . 3 A 3 LEU middle . . 4 A 4 SER middle . . 5 A 5 SER middle . . 6 A 6 LEU middle . . 7 A 7 TRP middle . . 8 A 8 LYS middle . . 9 A 9 LYS middle . . 10 A 10 LEU middle . . 11 A 11 LYS middle . . 12 A 12 LYS middle . . 13 A 13 ILE middle . . 14 A 14 ILE middle . . 15 A 15 ALA middle . . 16 A 16 LYS middle -OXT . 17 A 17 NH2 end . . 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 GLY HAy H 1 4.015 0.000 A 1 GLY HAx H 1 3.934 0.000 A 2 ILE H H 1 8.629 0.001 A 2 ILE HA H 1 4.107 0.000 A 2 ILE HB H 1 1.891 0.000 A 2 ILE HD1% H 1 0.927 0.000 A 2 ILE HG1y H 1 1.569 0.000 A 2 ILE HG1x H 1 1.283 0.000 A 2 ILE HG2% H 1 0.976 0.000 A 2 ILE N N 15 120.894 0.000 A 3 LEU H H 1 8.089 0.001 A 3 LEU HA H 1 4.223 0.000 A 3 LEU HBy H 1 1.654 0.004 A 3 LEU HBx H 1 1.538 0.000 A 3 LEU HDx% H 1 0.958 0.001 A 3 LEU HDy% H 1 0.876 0.005 A 3 LEU HG H 1 1.649 0.000 A 3 LEU N N 15 120.987 0.000 A 4 SER H H 1 8.064 0.002 A 4 SER HA H 1 4.267 0.000 A 4 SER HBy H 1 4.068 0.000 A 4 SER HBx H 1 3.998 0.000 A 4 SER N N 15 113.287 0.000 A 5 SER H H 1 8.006 0.001 A 5 SER HA H 1 4.365 0.000 A 5 SER HBy H 1 4.083 0.000 A 5 SER HBx H 1 3.980 0.000 A 5 SER N N 15 117.038 0.000 A 6 LEU H H 1 8.021 0.002 A 6 LEU HA H 1 4.205 0.000 A 6 LEU HBx H 1 1.764 0.000 A 6 LEU HBy H 1 1.764 0.000 A 6 LEU HDx% H 1 0.953 0.000 A 6 LEU HDy% H 1 0.868 0.000 A 6 LEU HG H 1 1.678 0.000 A 6 LEU N N 15 123.683 0.000 A 7 TRP H H 1 8.315 0.002 A 7 TRP HA H 1 4.476 0.000 A 7 TRP HBx H 1 3.394 0.001 A 7 TRP HBy H 1 3.394 0.001 A 7 TRP HD1 H 1 7.190 0.000 A 7 TRP HE1 H 1 9.731 0.001 A 7 TRP HE3 H 1 7.561 0.003 A 7 TRP HH2 H 1 7.187 0.000 A 7 TRP HZ2 H 1 7.446 0.000 A 7 TRP HZ3 H 1 7.058 0.001 A 7 TRP N N 15 118.714 0.000 A 7 TRP NE1 N 15 126.235 0.000 A 8 LYS H H 1 7.794 0.002 A 8 LYS HA H 1 3.843 0.000 A 8 LYS HBy H 1 1.973 0.000 A 8 LYS HBx H 1 1.921 0.000 A 8 LYS HDx H 1 1.750 0.000 A 8 LYS HDy H 1 1.750 0.000 A 8 LYS HEx H 1 3.023 0.000 A 8 LYS HEy H 1 3.023 0.000 A 8 LYS HGy H 1 1.670 0.000 A 8 LYS HGx H 1 1.410 0.000 A 8 LYS N N 15 116.268 0.000 A 9 LYS H H 1 7.608 0.003 A 9 LYS HA H 1 4.087 0.001 A 9 LYS HBx H 1 2.005 0.001 A 9 LYS HBy H 1 2.005 0.001 A 9 LYS HDx H 1 1.709 0.000 A 9 LYS HDy H 1 1.709 0.000 A 9 LYS HEx H 1 2.976 0.000 A 9 LYS HEy H 1 2.976 0.000 A 9 LYS HGy H 1 1.635 0.000 A 9 LYS HGx H 1 1.450 0.000 A 9 LYS N N 15 118.582 0.000 A 10 LEU H H 1 8.454 0.002 A 10 LEU HA H 1 4.086 0.000 A 10 LEU HBy H 1 1.795 0.000 A 10 LEU HBx H 1 1.578 0.000 A 10 LEU HDx% H 1 0.864 0.000 A 10 LEU HDy% H 1 0.864 0.000 A 10 LEU HG H 1 1.791 0.000 A 10 LEU N N 15 119.263 0.000 A 11 LYS H H 1 8.191 0.001 A 11 LYS HA H 1 3.789 0.001 A 11 LYS HBx H 1 1.647 0.000 A 11 LYS HBy H 1 1.647 0.000 A 11 LYS HDx H 1 1.543 0.000 A 11 LYS HDy H 1 1.543 0.000 A 11 LYS HEy H 1 2.882 0.000 A 11 LYS HEx H 1 2.824 0.000 A 11 LYS HGx H 1 1.302 0.000 A 11 LYS HGy H 1 1.302 0.000 A 11 LYS N N 15 116.765 0.000 A 12 LYS H H 1 7.438 0.002 A 12 LYS HA H 1 4.065 0.000 A 12 LYS HBx H 1 1.991 0.000 A 12 LYS HBy H 1 1.991 0.000 A 12 LYS HDx H 1 1.721 0.000 A 12 LYS HDy H 1 1.721 0.000 A 12 LYS HEx H 1 2.996 0.000 A 12 LYS HEy H 1 2.996 0.000 A 12 LYS HGy H 1 1.569 0.000 A 12 LYS HGx H 1 1.448 0.000 A 12 LYS N N 15 117.444 0.000 A 13 ILE H H 1 7.907 0.001 A 13 ILE HA H 1 3.793 0.000 A 13 ILE HB H 1 2.059 0.000 A 13 ILE HD1% H 1 0.871 0.000 A 13 ILE HG1y H 1 1.770 0.000 A 13 ILE HG1x H 1 1.168 0.000 A 13 ILE HG2% H 1 0.934 0.000 A 13 ILE N N 15 119.554 0.000 A 14 ILE H H 1 8.315 0.001 A 14 ILE HA H 1 3.857 0.000 A 14 ILE HB H 1 1.911 0.000 A 14 ILE HD1% H 1 0.855 0.000 A 14 ILE HG1y H 1 1.672 0.000 A 14 ILE HG1x H 1 1.245 0.000 A 14 ILE HG2% H 1 0.955 0.000 A 14 ILE N N 15 119.325 0.000 A 15 ALA H H 1 7.818 0.002 A 15 ALA HA H 1 4.306 0.000 A 15 ALA HB% H 1 1.526 0.000 A 15 ALA N N 15 120.507 0.000 A 16 LYS H H 1 7.597 0.004 A 16 LYS HA H 1 4.346 0.001 A 16 LYS HBx H 1 1.956 0.000 A 16 LYS HBy H 1 1.956 0.000 A 16 LYS HDx H 1 1.753 0.000 A 16 LYS HDy H 1 1.753 0.000 A 16 LYS HEx H 1 3.075 0.000 A 16 LYS HEy H 1 3.075 0.000 A 16 LYS HGy H 1 1.585 0.000 A 16 LYS HGx H 1 1.485 0.000 A 16 LYS N N 15 118.211 0.000 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 2 ILE H A 2 ILE HB 1.0 0.0 3.82 2 2 A 2 ILE H A 2 ILE HG2% 1.0 0.0 3.95 3 3 A 2 ILE H A 2 ILE HG1x 1.0 0.0 4.22 4 4 A 2 ILE H A 2 ILE HG1y 1.0 0.0 4.22 5 5 A 2 ILE H A 3 LEU H 1.0 0.0 3.88 6 6 A 3 LEU H A 3 LEU HDy% 1.0 0.0 5.04 7 7 A 6 LEU H A 6 LEU HDy% 1.0 0.0 4.76 8 8 A 6 LEU H A 6 LEU HDx% 1.0 0.0 4.76 9 9 A 7 TRP H A 7 TRP HBx 1.0 0.0 3.12 10 9 A 7 TRP H A 7 TRP HBy 1.0 0.0 3.12 11 10 A 7 TRP HE3 A 7 TRP HBx 1.0 0.0 3.68 12 10 A 7 TRP HBy A 7 TRP HE3 1.0 0.0 3.68 13 11 A 10 LEU H A 10 LEU HG 1.0 0.0 3.20 14 12 A 10 LEU H A 10 LEU HDx% 1.0 0.0 4.03 15 12 A 10 LEU H A 10 LEU HDy% 1.0 0.0 4.03 16 13 A 14 ILE H A 14 ILE HB 1.0 0.0 3.37 17 14 A 14 ILE H A 14 ILE HG1y 1.0 0.0 3.85 18 15 A 14 ILE H A 14 ILE HG1x 1.0 0.0 3.85 19 16 A 14 ILE H A 13 ILE HG2% 1.0 0.0 4.23 20 17 A 14 ILE H A 14 ILE HD1% 1.0 0.0 3.91 21 18 A 11 LYS H A 10 LEU HDx% 1.0 0.0 4.60 22 18 A 10 LEU HDy% A 11 LYS H 1.0 0.0 4.60 23 19 A 11 LYS H A 11 LYS HGx 1.0 0.0 4.14 24 19 A 11 LYS H A 11 LYS HGy 1.0 0.0 4.14 25 20 A 10 LEU HG A 11 LYS H 1.0 0.0 3.90 26 21 A 11 LYS H A 11 LYS HBx 1.0 0.0 3.27 27 21 A 11 LYS H A 11 LYS HBy 1.0 0.0 3.27 28 22 A 2 ILE HG2% A 3 LEU H 1.0 0.0 4.33 29 23 A 3 LEU H A 3 LEU HDx% 1.0 0.0 5.04 30 24 A 6 LEU H A 6 LEU HBx 1.0 0.0 3.18 31 24 A 6 LEU H A 6 LEU HBy 1.0 0.0 3.18 32 25 A 13 ILE H A 13 ILE HB 1.0 0.0 3.32 33 26 A 13 ILE H A 13 ILE HG1y 1.0 0.0 3.96 34 27 A 13 ILE H A 13 ILE HG1x 1.0 0.0 3.96 35 28 A 13 ILE H A 13 ILE HD1% 1.0 0.0 4.22 36 29 A 13 ILE HG2% A 13 ILE H 1.0 0.0 4.11 37 30 A 15 ALA H A 15 ALA HB% 1.0 0.0 3.12 38 31 A 12 LYS H A 12 LYS HBx 1.0 0.0 3.09 39 31 A 12 LYS H A 12 LYS HBy 1.0 0.0 3.09 40 32 A 7 TRP HE1 A 10 LEU HDx% 1.0 0.0 5.15 41 32 A 10 LEU HDy% A 7 TRP HE1 1.0 0.0 5.15 42 33 A 10 LEU H A 11 LYS H 1.0 0.0 3.64 43 34 A 10 LEU H A 8 LYS H 1.0 0.0 5.22 44 35 A 10 LEU H A 9 LYS H 1.0 0.0 3.39 45 36 A 10 LEU H A 12 LYS H 1.0 0.0 5.33 46 37 A 6 LEU H A 7 TRP H 1.0 0.0 3.50 47 38 A 14 ILE H A 13 ILE H 1.0 0.0 3.63 48 39 A 7 TRP H A 8 LYS H 1.0 0.0 3.57 49 40 A 14 ILE H A 15 ALA H 1.0 0.0 3.84 50 41 A 7 TRP H A 9 LYS H 1.0 0.0 4.77 51 42 A 14 ILE H A 12 LYS H 1.0 0.0 5.27 52 43 A 7 TRP H A 7 TRP HD1 1.0 0.0 4.87 53 44 A 11 LYS H A 9 LYS H 1.0 0.0 5.23 54 45 A 11 LYS H A 12 LYS H 1.0 0.0 3.62 55 46 A 8 LYS H A 9 LYS H 1.0 0.0 3.54 56 47 A 13 ILE H A 12 LYS H 1.0 0.0 3.49 57 48 A 16 LYS HBx A 16 LYS HEx 1.0 0.0 4.87 58 48 A 16 LYS HBy A 16 LYS HEx 1.0 0.0 4.87 59 48 A 16 LYS HEy A 16 LYS HBx 1.0 0.0 4.87 60 48 A 16 LYS HEy A 16 LYS HBy 1.0 0.0 4.87 61 49 A 7 TRP HZ3 A 10 LEU HDx% 1.0 0.0 4.94 62 49 A 10 LEU HDy% A 7 TRP HZ3 1.0 0.0 4.94 63 50 A 7 TRP HZ3 A 11 LYS HBx 1.0 0.0 5.50 64 50 A 11 LYS HBy A 7 TRP HZ3 1.0 0.0 5.50 65 51 A 7 TRP HZ3 A 11 LYS HDx 1.0 0.0 5.32 66 51 A 7 TRP HZ3 A 11 LYS HDy 1.0 0.0 5.32 67 52 A 7 TRP HZ3 A 8 LYS HGy 1.0 0.0 5.50 68 53 A 7 TRP HD1 A 10 LEU HDx% 1.0 0.0 4.46 69 53 A 10 LEU HDy% A 7 TRP HD1 1.0 0.0 4.46 70 54 A 7 TRP HZ2 A 10 LEU HDx% 1.0 0.0 5.50 71 54 A 10 LEU HDy% A 7 TRP HZ2 1.0 0.0 5.50 72 55 A 12 LYS H A 10 LEU HDx% 1.0 0.0 5.50 73 55 A 10 LEU HDy% A 12 LYS H 1.0 0.0 5.50 74 56 A 13 ILE HD1% A 12 LYS H 1.0 0.0 5.50 75 57 A 7 TRP HD1 A 6 LEU HBx 1.0 0.0 5.50 76 57 A 6 LEU HBy A 7 TRP HD1 1.0 0.0 5.50 77 58 A 7 TRP HH2 A 11 LYS HBx 1.0 0.0 5.25 78 58 A 11 LYS HBy A 7 TRP HH2 1.0 0.0 5.25 79 59 A 7 TRP HH2 A 11 LYS HDx 1.0 0.0 4.72 80 59 A 11 LYS HDy A 7 TRP HH2 1.0 0.0 4.72 81 60 A 8 LYS HGy A 7 TRP HH2 1.0 0.0 5.50 82 61 A 7 TRP HH2 A 11 LYS HGx 1.0 0.0 5.50 83 61 A 11 LYS HGy A 7 TRP HH2 1.0 0.0 5.50 84 62 A 10 LEU HG A 12 LYS H 1.0 0.0 5.50 85 63 A 12 LYS H A 11 LYS HBx 1.0 0.0 3.85 86 63 A 11 LYS HBy A 12 LYS H 1.0 0.0 3.85 87 64 A 12 LYS H A 12 LYS HGx 1.0 0.0 4.72 88 65 A 12 LYS H A 11 LYS HGx 1.0 0.0 5.17 89 65 A 11 LYS HGy A 12 LYS H 1.0 0.0 5.17 90 66 A 12 LYS H A 12 LYS HGy 1.0 0.0 4.72 91 67 A 7 TRP HE3 A 10 LEU HDx% 1.0 0.0 4.53 92 67 A 7 TRP HE3 A 10 LEU HDy% 1.0 0.0 4.53 93 68 A 7 TRP HE3 A 8 LYS HGy 1.0 0.0 4.73 94 69 A 7 TRP HE3 A 11 LYS HDx 1.0 0.0 4.81 95 69 A 7 TRP HE3 A 11 LYS HDy 1.0 0.0 4.81 96 70 A 7 TRP HE3 A 10 LEU HG 1.0 0.0 5.13 97 71 A 9 LYS H A 6 LEU HBx 1.0 0.0 5.32 98 71 A 6 LEU HBy A 9 LYS H 1.0 0.0 5.32 99 72 A 10 LEU HG A 9 LYS H 1.0 0.0 5.50 100 73 A 9 LYS H A 11 LYS HBx 1.0 0.0 5.31 101 73 A 11 LYS HBy A 9 LYS H 1.0 0.0 5.31 102 74 A 7 TRP HD1 A 4 SER HA 1.0 0.0 5.50 103 75 A 7 TRP HD1 A 7 TRP HA 1.0 0.0 3.93 104 76 A 7 TRP HH2 A 8 LYS HA 1.0 0.0 5.50 105 77 A 14 ILE H A 13 ILE HB 1.0 0.0 3.68 106 78 A 7 TRP H A 6 LEU HBx 1.0 0.0 3.49 107 78 A 7 TRP H A 6 LEU HBy 1.0 0.0 3.49 108 79 A 14 ILE H A 15 ALA HB% 1.0 0.0 4.79 109 80 A 10 LEU H A 9 LYS HBx 1.0 0.0 3.48 110 80 A 10 LEU H A 9 LYS HBy 1.0 0.0 3.48 111 81 A 2 ILE HB A 3 LEU H 1.0 0.0 4.11 112 82 A 13 ILE H A 11 LYS HBx 1.0 0.0 5.11 113 82 A 11 LYS HBy A 13 ILE H 1.0 0.0 5.11 114 83 A 13 ILE H A 12 LYS HGy 1.0 0.0 5.50 115 84 A 13 ILE H A 12 LYS HGx 1.0 0.0 5.50 116 85 A 8 LYS H A 8 LYS HDx 1.0 0.0 4.89 117 85 A 8 LYS H A 8 LYS HDy 1.0 0.0 4.89 118 86 A 8 LYS H A 8 LYS HGx 1.0 0.0 3.75 119 87 A 8 LYS H A 8 LYS HGy 1.0 0.0 4.57 120 88 A 15 ALA H A 14 ILE HG2% 1.0 0.0 4.22 121 89 A 8 LYS H A 10 LEU HDx% 1.0 0.0 5.49 122 89 A 10 LEU HDy% A 8 LYS H 1.0 0.0 5.49 123 90 A 14 ILE HD1% A 15 ALA H 1.0 0.0 5.50 124 91 A 16 LYS HBx A 16 LYS HEx 1.0 0.0 4.69 125 91 A 16 LYS HBy A 16 LYS HEx 1.0 0.0 4.69 126 91 A 16 LYS HEy A 16 LYS HBx 1.0 0.0 4.69 127 91 A 16 LYS HEy A 16 LYS HBy 1.0 0.0 4.69 128 92 A 5 SER H A 7 TRP HBx 1.0 0.0 5.35 129 92 A 7 TRP HBy A 5 SER H 1.0 0.0 5.35 130 93 A 6 LEU H A 7 TRP HBx 1.0 0.0 5.50 131 93 A 6 LEU H A 7 TRP HBy 1.0 0.0 5.50 132 94 A 8 LYS H A 7 TRP HBx 1.0 0.0 3.63 133 94 A 7 TRP HBy A 8 LYS H 1.0 0.0 3.63 134 95 A 7 TRP HD1 A 7 TRP HBx 1.0 0.0 3.56 135 95 A 7 TRP HBy A 7 TRP HD1 1.0 0.0 3.56 136 96 A 9 LYS H A 6 LEU HA 1.0 0.0 4.20 137 97 A 7 TRP HE3 A 7 TRP HA 1.0 0.0 4.27 138 98 A 14 ILE H A 12 LYS HA 1.0 0.0 4.59 139 99 A 11 LYS H A 7 TRP HA 1.0 0.0 5.19 140 100 A 11 LYS H A 9 LYS HA 1.0 0.0 4.76 141 101 A 10 LEU H A 7 TRP HA 1.0 0.0 4.16 142 102 A 10 LEU H A 6 LEU HA 1.0 0.0 4.94 143 103 A 10 LEU H A 8 LYS HA 1.0 0.0 5.43 144 104 A 14 ILE H A 11 LYS HA 1.0 0.0 4.19 145 105 A 5 SER H A 5 SER HBy 1.0 0.0 3.91 146 106 A 4 SER H A 4 SER HBx 1.0 0.0 3.77 147 107 A 5 SER H A 5 SER HBx 1.0 0.0 3.91 148 108 A 13 ILE H A 10 LEU HA 1.0 0.0 3.94 149 109 A 15 ALA H A 12 LYS HA 1.0 0.0 4.37 150 110 A 4 SER H A 4 SER HBy 1.0 0.0 3.77 151 111 A 11 LYS H A 9 LYS HBx 1.0 0.0 5.05 152 111 A 11 LYS H A 9 LYS HBy 1.0 0.0 5.05 153 112 A 11 LYS H A 12 LYS HBx 1.0 0.0 5.47 154 112 A 11 LYS H A 12 LYS HBy 1.0 0.0 5.47 155 113 A 6 LEU H A 6 LEU HG 1.0 0.0 4.68 156 114 A 13 ILE H A 12 LYS HBx 1.0 0.0 3.69 157 114 A 13 ILE H A 12 LYS HBy 1.0 0.0 3.69 158 115 A 9 LYS H A 9 LYS HBx 1.0 0.0 3.11 159 115 A 9 LYS H A 9 LYS HBy 1.0 0.0 3.11 160 116 A 7 TRP HZ3 A 8 LYS HA 1.0 0.0 5.50 161 117 A 7 TRP HZ3 A 7 TRP HBx 1.0 0.0 5.50 162 117 A 7 TRP HBy A 7 TRP HZ3 1.0 0.0 5.50 163 118 A 4 SER HA A 7 TRP HBx 1.0 0.0 4.51 164 118 A 7 TRP HBy A 4 SER HA 1.0 0.0 4.51 165 119 A 15 ALA HA A 16 LYS HBx 1.0 0.0 4.60 166 119 A 16 LYS HBy A 15 ALA HA 1.0 0.0 4.60 167 120 A 6 LEU HA A 9 LYS HBx 1.0 0.0 4.46 168 120 A 9 LYS HBy A 6 LEU HA 1.0 0.0 4.46 169 121 A 6 LEU HA A 6 LEU HDx% 1.0 0.0 5.04 170 122 A 10 LEU HA A 10 LEU HDx% 1.0 0.0 3.50 171 122 A 10 LEU HDy% A 10 LEU HA 1.0 0.0 3.50 172 123 A 2 ILE HG2% A 2 ILE HA 1.0 0.0 4.14 173 124 A 14 ILE HG2% A 14 ILE HA 1.0 0.0 3.37 174 125 A 13 ILE HG2% A 13 ILE HA 1.0 0.0 3.36 175 126 A 11 LYS HA A 10 LEU HDx% 1.0 0.0 4.23 176 126 A 10 LEU HDy% A 11 LYS HA 1.0 0.0 4.23 177 127 A 13 ILE HD1% A 13 ILE HA 1.0 0.0 4.49 178 128 A 14 ILE HD1% A 14 ILE HA 1.0 0.0 4.28 179 129 A 8 LYS HGy A 8 LYS HA 1.0 0.0 3.87 180 130 A 13 ILE HA A 13 ILE HG1x 1.0 0.0 3.84 181 131 A 8 LYS HA A 11 LYS HBx 1.0 0.0 3.57 182 131 A 11 LYS HBy A 8 LYS HA 1.0 0.0 3.57 183 132 A 11 LYS HA A 11 LYS HDx 1.0 0.0 4.13 184 132 A 11 LYS HDy A 11 LYS HA 1.0 0.0 4.13 185 133 A 8 LYS HA A 11 LYS HDx 1.0 0.0 4.68 186 133 A 11 LYS HDy A 8 LYS HA 1.0 0.0 4.68 187 134 A 13 ILE HA A 13 ILE HG1y 1.0 0.0 3.84 188 135 A 15 ALA HB% A 12 LYS HA 1.0 0.0 3.92 189 136 A 7 TRP HBy A 3 LEU HDx% 1.0 0.0 5.50 190 136 A 3 LEU HDx% A 7 TRP HBx 1.0 0.0 5.50 191 137 A 7 TRP HBy A 3 LEU HDy% 1.0 0.0 5.50 192 137 A 3 LEU HDy% A 7 TRP HBx 1.0 0.0 5.50 193 138 A 7 TRP HBx A 10 LEU HDx% 1.0 0.0 5.50 194 138 A 7 TRP HBy A 10 LEU HDx% 1.0 0.0 5.50 195 138 A 10 LEU HDy% A 7 TRP HBx 1.0 0.0 5.50 196 138 A 7 TRP HBy A 10 LEU HDy% 1.0 0.0 5.50 197 139 A 6 LEU HBy A 7 TRP HBx 1.0 0.0 4.68 198 139 A 6 LEU HBx A 7 TRP HBx 1.0 0.0 4.68 199 139 A 7 TRP HBy A 6 LEU HBx 1.0 0.0 4.68 200 139 A 7 TRP HBy A 6 LEU HBy 1.0 0.0 4.68 201 140 A 3 LEU HG A 7 TRP HBx 1.0 0.0 5.50 202 140 A 7 TRP HBy A 3 LEU HG 1.0 0.0 5.50 203 141 A 8 LYS HGx A 7 TRP HBx 1.0 0.0 5.50 204 141 A 7 TRP HBy A 8 LYS HGx 1.0 0.0 5.50 205 142 A 6 LEU HA A 6 LEU HDy% 1.0 0.0 5.04 206 143 A 3 LEU HA A 6 LEU HBx 1.0 0.0 5.23 207 143 A 6 LEU HBy A 3 LEU HA 1.0 0.0 5.23 208 144 A 14 ILE HB A 11 LYS HA 1.0 0.0 3.85 209 145 A 9 LYS HBy A 9 LYS HDx 1.0 0.0 4.04 210 145 A 9 LYS HBx A 9 LYS HDx 1.0 0.0 4.04 211 145 A 9 LYS HDy A 9 LYS HBx 1.0 0.0 4.04 212 145 A 9 LYS HBy A 9 LYS HDy 1.0 0.0 4.04 213 146 A 14 ILE HB A 14 ILE HD1% 1.0 0.0 3.83 214 147 A 6 LEU HDx% A 6 LEU HBx 1.0 0.0 3.69 215 147 A 6 LEU HBy A 6 LEU HDx% 1.0 0.0 3.69 216 148 A 10 LEU HDy% A 10 LEU HBy 1.0 0.0 3.53 217 148 A 10 LEU HBy A 10 LEU HDx% 1.0 0.0 3.53 218 149 A 6 LEU HBx A 6 LEU HDy% 1.0 0.0 3.69 219 149 A 6 LEU HBy A 6 LEU HDy% 1.0 0.0 3.69 220 150 A 10 LEU HDy% A 10 LEU HBx 1.0 0.0 3.53 221 150 A 10 LEU HBx A 10 LEU HDx% 1.0 0.0 3.53 222 151 A 7 TRP H A 4 SER HA 1.0 0.0 4.33 223 152 A 13 ILE HB A 13 ILE HD1% 1.0 0.0 3.99 224 153 A 14 ILE HD1% A 13 ILE HB 1.0 0.0 4.56 225 154 A 2 ILE HB A 2 ILE HD1% 1.0 0.0 4.04 226 155 A 14 ILE HB A 15 ALA H 1.0 0.0 3.51 227 156 A 3 LEU H A 2 ILE HG1x 1.0 0.0 5.30 228 156 A 3 LEU H A 2 ILE HG1y 1.0 0.0 5.30 229 157 A 3 LEU H A 3 LEU HBy 1.0 0.0 3.18 230 157 A 3 LEU H A 3 LEU HBx 1.0 0.0 3.18 231 158 A 3 LEU H A 3 LEU HDy% 1.0 0.0 4.38 232 158 A 3 LEU H A 3 LEU HDx% 1.0 0.0 4.38 233 159 A 4 SER H A 3 LEU HBy 1.0 0.0 4.33 234 159 A 4 SER H A 3 LEU HBx 1.0 0.0 4.33 235 160 A 5 SER H A 3 LEU HBy 1.0 0.0 5.34 236 160 A 5 SER H A 3 LEU HBx 1.0 0.0 5.34 237 161 A 6 LEU H A 3 LEU HBy 1.0 0.0 5.34 238 161 A 6 LEU H A 3 LEU HBx 1.0 0.0 5.34 239 162 A 3 LEU HBx A 7 TRP HBx 1.0 0.0 5.10 240 162 A 3 LEU HBy A 7 TRP HBx 1.0 0.0 5.10 241 162 A 7 TRP HBy A 3 LEU HBy 1.0 0.0 5.10 242 162 A 7 TRP HBy A 3 LEU HBx 1.0 0.0 5.10 243 163 A 7 TRP H A 3 LEU HDy% 1.0 0.0 4.03 244 163 A 7 TRP H A 3 LEU HDx% 1.0 0.0 4.03 245 164 A 7 TRP HD1 A 3 LEU HDy% 1.0 0.0 4.96 246 164 A 7 TRP HD1 A 3 LEU HDx% 1.0 0.0 4.96 247 165 A 7 TRP HE1 A 3 LEU HDy% 1.0 0.0 5.44 248 165 A 7 TRP HE1 A 3 LEU HDx% 1.0 0.0 5.44 249 166 A 5 SER H A 4 SER HBx 1.0 0.0 3.56 250 166 A 5 SER H A 4 SER HBy 1.0 0.0 3.56 251 167 A 5 SER H A 5 SER HBx 1.0 0.0 3.42 252 167 A 5 SER H A 5 SER HBy 1.0 0.0 3.42 253 168 A 6 LEU H A 5 SER HBx 1.0 0.0 3.86 254 168 A 6 LEU H A 5 SER HBy 1.0 0.0 3.86 255 169 A 6 LEU H A 6 LEU HDy% 1.0 0.0 4.18 256 169 A 6 LEU H A 6 LEU HDx% 1.0 0.0 4.18 257 170 A 6 LEU HA A 6 LEU HDy% 1.0 0.0 4.25 258 170 A 6 LEU HA A 6 LEU HDx% 1.0 0.0 4.25 259 171 A 9 LYS H A 6 LEU HDy% 1.0 0.0 5.44 260 171 A 9 LYS H A 6 LEU HDx% 1.0 0.0 5.44 261 172 A 10 LEU H A 6 LEU HDy% 1.0 0.0 5.44 262 172 A 10 LEU H A 6 LEU HDx% 1.0 0.0 5.44 263 173 A 8 LYS H A 8 LYS HBy 1.0 0.0 3.34 264 173 A 8 LYS H A 8 LYS HBx 1.0 0.0 3.34 265 174 A 9 LYS H A 8 LYS HBy 1.0 0.0 3.68 266 174 A 9 LYS H A 8 LYS HBx 1.0 0.0 3.68 267 175 A 9 LYS H A 9 LYS HGy 1.0 0.0 4.79 268 175 A 9 LYS H A 9 LYS HGx 1.0 0.0 4.79 269 176 A 10 LEU H A 10 LEU HBx 1.0 0.0 3.53 270 176 A 10 LEU H A 10 LEU HBy 1.0 0.0 3.53 271 177 A 10 LEU HA A 13 ILE HG1x 1.0 0.0 5.01 272 177 A 10 LEU HA A 13 ILE HG1y 1.0 0.0 5.01 273 178 A 11 LYS HA A 14 ILE HG1x 1.0 0.0 3.86 274 178 A 11 LYS HA A 14 ILE HG1y 1.0 0.0 3.86 275 179 A 12 LYS H A 13 ILE HG1x 1.0 0.0 5.34 276 179 A 12 LYS H A 13 ILE HG1y 1.0 0.0 5.34 277 180 A 13 ILE H A 12 LYS HGy 1.0 0.0 4.79 278 180 A 13 ILE H A 12 LYS HGx 1.0 0.0 4.79 279 181 A 13 ILE HD1% A 12 LYS HGy 1.0 0.0 5.00 280 181 A 13 ILE HD1% A 12 LYS HGx 1.0 0.0 5.00 281 182 A 13 ILE H A 13 ILE HG1x 1.0 0.0 3.27 282 182 A 13 ILE H A 13 ILE HG1y 1.0 0.0 3.27 283 183 A 14 ILE H A 14 ILE HG1x 1.0 0.0 3.34 284 183 A 14 ILE H A 14 ILE HG1y 1.0 0.0 3.34 285 184 A 14 ILE HA A 14 ILE HG1x 1.0 0.0 3.49 286 184 A 14 ILE HA A 14 ILE HG1y 1.0 0.0 3.49 287 185 A 15 ALA H A 14 ILE HG1x 1.0 0.0 4.73 288 185 A 15 ALA H A 14 ILE HG1y 1.0 0.0 4.73 289 186 A 13 ILE HA A 16 LYS HEx 1.0 0.0 6.00 290 186 A 16 LYS HEy A 13 ILE HA 1.0 0.0 6.00 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 1 GLY C A 2 ILE N A 2 ILE CA A 2 ILE C 1.0 -72.3 -42.9 PHI 2 2 A 2 ILE N A 2 ILE CA A 2 ILE C A 3 LEU N 1.0 -70.0 -14.8 PSI 3 3 A 2 ILE C A 3 LEU N A 3 LEU CA A 3 LEU C 1.0 -73.2 -52.0 PHI 4 4 A 3 LEU N A 3 LEU CA A 3 LEU C A 4 SER N 1.0 -53.7 -26.5 PSI 5 5 A 3 LEU C A 4 SER N A 4 SER CA A 4 SER C 1.0 -74.7 -52.1 PHI 6 6 A 4 SER N A 4 SER CA A 4 SER C A 5 SER N 1.0 -56.0 -25.6 PSI 7 7 A 4 SER C A 5 SER N A 5 SER CA A 5 SER C 1.0 -75.7 -55.7 PHI 8 8 A 5 SER N A 5 SER CA A 5 SER C A 6 LEU N 1.0 -49.3 -25.5 PSI 9 9 A 5 SER C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -74.8 -54.8 PHI 10 10 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 TRP N 1.0 -53.9 -33.9 PSI 11 11 A 6 LEU C A 7 TRP N A 7 TRP CA A 7 TRP C 1.0 -73.0 -53.0 PHI 12 12 A 7 TRP N A 7 TRP CA A 7 TRP C A 8 LYS N 1.0 -55.8 -30.8 PSI 13 13 A 7 TRP C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -72.3 -46.5 PHI 14 14 A 8 LYS N A 8 LYS CA A 8 LYS C A 9 LYS N 1.0 -53.3 -25.9 PSI 15 15 A 8 LYS C A 9 LYS N A 9 LYS CA A 9 LYS C 1.0 -70.4 -50.4 PHI 16 16 A 9 LYS N A 9 LYS CA A 9 LYS C A 10 LEU N 1.0 -59.2 -30.4 PSI 17 17 A 9 LYS C A 10 LEU N A 10 LEU CA A 10 LEU C 1.0 -75.3 -54.9 PHI 18 18 A 10 LEU N A 10 LEU CA A 10 LEU C A 11 LYS N 1.0 -53.2 -25.2 PSI 19 19 A 10 LEU C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 -75.0 -46.0 PHI 20 20 A 11 LYS N A 11 LYS CA A 11 LYS C A 12 LYS N 1.0 -54.6 -26.2 PSI 21 21 A 11 LYS C A 12 LYS N A 12 LYS CA A 12 LYS C 1.0 -72.3 -43.5 PHI 22 22 A 12 LYS N A 12 LYS CA A 12 LYS C A 13 ILE N 1.0 -55.1 -35.1 PSI 23 23 A 12 LYS C A 13 ILE N A 13 ILE CA A 13 ILE C 1.0 -74.6 -54.6 PHI 24 24 A 13 ILE N A 13 ILE CA A 13 ILE C A 14 ILE N 1.0 -55.9 -24.5 PSI stop_ save_