data_nef_c25673_2n4n 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 25764 BMRB 25765 PDB 2N4N 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 ACE C 1 2 GLU N 1 16 VAL N 1 17 4FU C15 1 17 4FU C7 1 18 GLY N 1 24 LYS C 1 25 NH2 N 1 16 VAL C 1 15 ARG N 1 15 ARG C 1 14 ILE N 1 14 ILE C 1 13 PHE N 1 13 PHE C 1 12 LYS N 1 12 LYS C 1 11 GLN N 1 11 GLN C 1 10 VAL N 1 7 LYS C 1 8 4G6 NAC 1 9 DPR N 1 10 VAL C 1 8 4G6 NAD 1 9 DPR C 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 ACE start . . 2 A 1 GLU middle . . 3 A 2 ARG middle . . 4 A 3 PHE middle . . 5 A 4 TYR middle . . 6 A 5 GLU middle . . 7 A 6 LYS middle . . 8 A 7 4G6 middle . . 9 A 8 DPR middle . . 10 A 9 VAL middle . . 11 A 10 GLN middle . . 12 A 11 LYS middle . . 13 A 12 PHE middle . . 14 A 13 ILE middle . . 15 A 14 ARG middle . . 16 A 15 VAL middle . . 17 A 16 4FU middle . . 18 A 17 GLY middle . false 19 A 18 VAL middle . . 20 A 19 THR middle . . 21 A 20 ILE middle . . 22 A 21 ARG middle . . 23 A 22 GLU middle . . 24 A 23 LYS middle . . 25 A 24 NH2 end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_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 0 ACE HA H 1 2.362 . A 1 GLU H H 1 8.357 . A 1 GLU HA H 1 4.198 . A 1 GLU HBy H 1 2.263 . A 1 GLU HBx H 1 1.909 . A 2 ARG H H 1 8.327 . A 2 ARG HA H 1 4.353 . A 2 ARG HBx H 1 1.529 . A 2 ARG HBy H 1 1.529 . A 2 ARG HDx H 1 3.059 . A 2 ARG HDy H 1 3.059 . A 2 ARG HE H 1 7.169 . A 2 ARG HGy H 1 1.411 . A 2 ARG HGx H 1 1.351 . A 3 PHE H H 1 8.361 . A 3 PHE HA H 1 4.877 . A 3 PHE HBy H 1 2.962 . A 3 PHE HBx H 1 2.664 . A 3 PHE HDx H 1 7.020 . A 3 PHE HDy H 1 7.020 . A 3 PHE HZ H 1 7.568 . A 4 TYR H H 1 8.357 . A 4 TYR HA H 1 4.548 . A 4 TYR HBy H 1 2.970 . A 4 TYR HBx H 1 2.847 . A 4 TYR HDx H 1 7.064 . A 4 TYR HDy H 1 7.064 . A 4 TYR HEx H 1 6.744 . A 4 TYR HEy H 1 6.744 . A 5 GLU H H 1 8.695 . A 5 GLU HA H 1 4.360 . A 5 GLU HBx H 1 1.917 . A 5 GLU HBy H 1 1.917 . A 5 GLU HGx H 1 2.377 . A 5 GLU HGy H 1 2.377 . A 6 LYS H H 1 8.584 . A 6 LYS HA H 1 4.531 . A 6 LYS HBx H 1 1.810 . A 6 LYS HBy H 1 1.810 . A 6 LYS HDx H 1 1.712 . A 6 LYS HDy H 1 1.712 . A 7 4G6 HAA H 1 1.163 . A 7 4G6 HAD H 1 1.293 . A 7 4G6 HAx H 1 3.538 . A 7 4G6 HAy H 1 8.023 . A 8 DPR HBx H 1 2.025 . A 8 DPR HBy H 1 2.405 . A 8 DPR HDx H 1 3.490 . A 8 DPR HDy H 1 3.490 . A 9 VAL H H 1 8.154 . A 9 VAL HA H 1 4.193 . A 9 VAL HB H 1 2.186 . A 9 VAL HGx% H 1 0.947 . A 9 VAL HGy% H 1 0.947 . A 10 GLN H H 1 8.603 . A 10 GLN HA H 1 4.598 . A 10 GLN HBx H 1 1.983 . A 10 GLN HBy H 1 1.983 . A 10 GLN HGx H 1 2.228 . A 10 GLN HGy H 1 2.228 . A 11 LYS H H 1 8.438 . A 11 LYS HA H 1 4.449 . A 11 LYS HBx H 1 1.719 . A 11 LYS HBy H 1 1.719 . A 11 LYS HDx H 1 1.617 . A 11 LYS HDy H 1 1.617 . A 11 LYS HEx H 1 2.961 . A 11 LYS HEy H 1 2.961 . A 11 LYS HGx H 1 1.315 . A 11 LYS HGy H 1 1.315 . A 11 LYS HZ1 H 1 7.655 . A 11 LYS HZ2 H 1 7.655 . A 11 LYS HZ3 H 1 7.655 . A 12 PHE H H 1 8.863 . A 12 PHE HA H 1 4.796 . A 12 PHE HBy H 1 2.907 . A 12 PHE HBx H 1 2.894 . A 12 PHE HDx H 1 7.268 . A 12 PHE HDy H 1 7.268 . A 12 PHE HZ H 1 7.812 . A 13 ILE H H 1 8.430 . A 13 ILE HA H 1 4.503 . A 13 ILE HD1% H 1 0.752 . A 13 ILE HG1y H 1 1.692 . A 13 ILE HG1x H 1 1.045 . A 14 ARG H H 1 8.480 . A 14 ARG HA H 1 4.491 . A 14 ARG HBy H 1 1.738 . A 14 ARG HBx H 1 1.672 . A 14 ARG HDx H 1 3.065 . A 14 ARG HDy H 1 3.065 . A 14 ARG HE H 1 7.163 . A 14 ARG HGx H 1 1.563 . A 14 ARG HGy H 1 1.563 . A 15 VAL H H 1 7.908 . A 15 VAL HA H 1 4.350 . A 15 VAL HB H 1 1.998 . A 15 VAL HGx% H 1 0.864 . A 15 VAL HGy% H 1 0.864 . A 16 4FU H14 H 1 2.917 . A 16 4FU HAx H 1 1.759 . A 17 GLY H H 1 8.229 . A 17 GLY HAy H 1 4.058 . A 17 GLY HAx H 1 3.797 . A 18 VAL H H 1 8.820 . A 18 VAL HA H 1 4.243 . A 18 VAL HB H 1 1.824 . A 18 VAL HGx% H 1 0.870 . A 18 VAL HGy% H 1 0.870 . A 19 THR H H 1 8.671 . A 19 THR HA H 1 4.717 . A 19 THR HB H 1 4.033 . A 19 THR HG2% H 1 1.119 . A 20 ILE H H 1 8.691 . A 20 ILE HA H 1 4.446 . A 20 ILE HB H 1 2.050 . A 20 ILE HD1% H 1 0.792 . A 20 ILE HG1y H 1 1.420 . A 20 ILE HG1x H 1 1.125 . A 20 ILE HG2% H 1 0.922 . A 21 ARG H H 1 8.686 . A 21 ARG HA H 1 4.610 . A 21 ARG HBy H 1 1.773 . A 21 ARG HBx H 1 1.704 . A 21 ARG HDx H 1 3.130 . A 21 ARG HDy H 1 3.130 . A 21 ARG HE H 1 7.240 . A 21 ARG HGy H 1 1.572 . A 21 ARG HGx H 1 1.520 . A 21 ARG HH1x H 1 7.048 . A 21 ARG HH1y H 1 7.048 . A 21 ARG HH2x H 1 7.048 . A 21 ARG HH2y H 1 7.048 . A 22 GLU H H 1 8.495 . A 22 GLU HA H 1 4.455 . A 22 GLU HBy H 1 2.050 . A 22 GLU HBx H 1 1.896 . A 22 GLU HGx H 1 2.352 . A 22 GLU HGy H 1 2.352 . A 23 LYS H H 1 8.653 . A 23 LYS HA H 1 4.308 . A 23 LYS HBx H 1 1.808 . A 23 LYS HBy H 1 1.808 . A 23 LYS HDx H 1 1.688 . A 23 LYS HDy H 1 1.688 . A 23 LYS HEx H 1 2.995 . A 23 LYS HEy H 1 2.995 . A 23 LYS HGx H 1 1.457 . A 23 LYS HGy H 1 1.457 . A 23 LYS HZ1 H 1 7.622 . A 23 LYS HZ2 H 1 7.622 . A 23 LYS HZ3 H 1 7.622 . 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 GLU HA A 1 GLU HBy 1.0 1.7 3.7 2 1 A 1 GLU HA A 1 GLU HBx 1.0 1.7 3.7 3 2 A 1 GLU H A 1 GLU HA 1.0 1.9 3.9 4 3 A 1 GLU H A 1 GLU HBy 1.0 1.7 3.5 5 3 A 1 GLU H A 1 GLU HBx 1.0 1.7 3.5 6 4 A 1 GLU H A 1 GLU HBy 1.0 2.0 4.2 7 4 A 1 GLU H A 1 GLU HBx 1.0 2.0 4.2 8 5 A 1 GLU HA A 2 ARG H 1.0 1.6 3.4 9 6 A 2 ARG H A 2 ARG HA 1.0 1.8 3.8 10 7 A 2 ARG HBx A 2 ARG HDx 1.0 1.6 3.4 11 7 A 2 ARG HBy A 2 ARG HDx 1.0 1.6 3.4 12 7 A 2 ARG HDy A 2 ARG HBx 1.0 1.6 3.4 13 7 A 2 ARG HBy A 2 ARG HDy 1.0 1.6 3.4 14 8 A 2 ARG HE A 2 ARG HBx 1.0 1.7 5.0 15 8 A 2 ARG HBy A 2 ARG HE 1.0 1.7 5.0 16 9 A 2 ARG H A 2 ARG HBx 1.0 1.9 3.9 17 9 A 2 ARG H A 2 ARG HBy 1.0 1.9 3.9 18 10 A 2 ARG HE A 2 ARG HDx 1.0 1.5 3.3 19 10 A 2 ARG HDy A 2 ARG HE 1.0 1.5 3.3 20 11 A 2 ARG HGy A 2 ARG HDx 1.0 1.7 3.7 21 11 A 2 ARG HDy A 2 ARG HGy 1.0 1.7 3.7 22 11 A 2 ARG HDy A 2 ARG HGx 1.0 1.7 3.7 23 11 A 2 ARG HGx A 2 ARG HDx 1.0 1.7 3.7 24 12 A 2 ARG HGy A 2 ARG HDx 1.0 1.6 3.4 25 12 A 2 ARG HDy A 2 ARG HGy 1.0 1.6 3.4 26 12 A 2 ARG HDy A 2 ARG HGx 1.0 1.6 3.4 27 12 A 2 ARG HGx A 2 ARG HDx 1.0 1.6 3.4 28 13 A 2 ARG H A 2 ARG HDx 1.0 2.1 4.3 29 13 A 2 ARG H A 2 ARG HDy 1.0 2.1 4.3 30 14 A 2 ARG H A 2 ARG HGy 1.0 1.9 3.9 31 14 A 2 ARG H A 2 ARG HGx 1.0 1.9 3.9 32 15 A 2 ARG H A 2 ARG HGy 1.0 1.8 3.8 33 15 A 2 ARG H A 2 ARG HGx 1.0 1.8 3.8 34 16 A 2 ARG HA A 3 PHE H 1.0 1.6 3.4 35 17 A 3 PHE H A 3 PHE HA 1.0 1.9 3.9 36 18 A 3 PHE H A 3 PHE HBy 1.0 2.0 4.2 37 18 A 3 PHE H A 3 PHE HBx 1.0 2.0 4.2 38 19 A 3 PHE H A 3 PHE HBy 1.0 1.8 3.8 39 19 A 3 PHE H A 3 PHE HBx 1.0 1.8 3.8 40 20 A 4 TYR HA A 4 TYR HD% 1.0 1.8 3.6 41 21 A 4 TYR HA A 4 TYR H 1.0 1.6 3.4 42 22 A 4 TYR HD% A 4 TYR HBy 1.0 1.8 3.6 43 22 A 4 TYR HD% A 4 TYR HBx 1.0 1.8 3.6 44 23 A 4 TYR H A 4 TYR HBy 1.0 1.9 3.9 45 23 A 4 TYR H A 4 TYR HBx 1.0 1.9 3.9 46 24 A 4 TYR HD% A 4 TYR HBy 1.0 1.6 3.4 47 24 A 4 TYR HD% A 4 TYR HBx 1.0 1.6 3.4 48 25 A 4 TYR H A 4 TYR HBy 1.0 1.8 3.8 49 25 A 4 TYR H A 4 TYR HBx 1.0 1.8 3.8 50 26 A 4 TYR HD% A 4 TYR HE% 1.0 1.6 3.2 51 27 A 4 TYR HD% A 4 TYR H 1.0 1.8 5.0 52 28 A 5 GLU HA A 5 GLU HBx 1.0 1.7 3.5 53 28 A 5 GLU HA A 5 GLU HBy 1.0 1.7 3.5 54 29 A 5 GLU HA A 5 GLU H 1.0 1.5 3.3 55 30 A 5 GLU HBx A 5 GLU HGx 1.0 1.6 3.4 56 30 A 5 GLU HBy A 5 GLU HGx 1.0 1.6 3.4 57 30 A 5 GLU HGy A 5 GLU HBx 1.0 1.6 3.4 58 30 A 5 GLU HBy A 5 GLU HGy 1.0 1.6 3.4 59 31 A 5 GLU H A 5 GLU HBx 1.0 1.9 3.9 60 31 A 5 GLU HBy A 5 GLU H 1.0 1.9 3.9 61 32 A 5 GLU H A 5 GLU HGx 1.0 1.9 3.9 62 32 A 5 GLU H A 5 GLU HGy 1.0 1.9 3.9 63 33 A 6 LYS HA A 6 LYS H 1.0 1.6 3.4 64 34 A 6 LYS H A 6 LYS HBx 1.0 1.8 3.6 65 34 A 6 LYS H A 6 LYS HBy 1.0 1.8 3.6 66 35 A 6 LYS H A 6 LYS HDx 1.0 0.0 5.0 67 35 A 6 LYS H A 6 LYS HDy 1.0 0.0 5.0 68 36 A 9 VAL HA A 9 VAL HB 1.0 1.9 3.9 69 37 A 9 VAL HA A 9 VAL HGx% 1.0 1.7 3.5 70 37 A 9 VAL HA A 9 VAL HGy% 1.0 1.7 3.5 71 38 A 9 VAL HA A 9 VAL H 1.0 2.1 4.3 72 39 A 9 VAL HB A 9 VAL HGx% 1.0 1.7 3.5 73 39 A 9 VAL HB A 9 VAL HGy% 1.0 1.7 3.5 74 40 A 9 VAL HB A 9 VAL H 1.0 1.8 3.6 75 41 A 9 VAL H A 9 VAL HGx% 1.0 1.7 3.7 76 41 A 9 VAL HGy% A 9 VAL H 1.0 1.7 3.7 77 42 A 10 GLN HA A 10 GLN H 1.0 1.7 3.5 78 43 A 10 GLN HBy A 10 GLN HGx 1.0 1.5 3.1 79 43 A 10 GLN HBx A 10 GLN HGx 1.0 1.5 3.1 80 43 A 10 GLN HGy A 10 GLN HBx 1.0 1.5 3.1 81 43 A 10 GLN HBy A 10 GLN HGy 1.0 1.5 3.1 82 44 A 10 GLN H A 10 GLN HBx 1.0 1.7 3.5 83 44 A 10 GLN H A 10 GLN HBy 1.0 1.7 3.5 84 45 A 10 GLN H A 10 GLN HGx 1.0 1.9 3.9 85 45 A 10 GLN H A 10 GLN HGy 1.0 1.9 3.9 86 46 A 10 GLN H A 11 LYS HA 1.0 1.6 3.2 87 47 A 11 LYS HA A 11 LYS H 1.0 1.8 3.8 88 48 A 11 LYS H A 11 LYS HBx 1.0 1.7 3.7 89 48 A 11 LYS H A 11 LYS HBy 1.0 1.7 3.7 90 49 A 11 LYS HDx A 11 LYS HEx 1.0 1.7 3.5 91 49 A 11 LYS HDy A 11 LYS HEx 1.0 1.7 3.5 92 49 A 11 LYS HEy A 11 LYS HDx 1.0 1.7 3.5 93 49 A 11 LYS HDy A 11 LYS HEy 1.0 1.7 3.5 94 50 A 11 LYS H A 11 LYS HDx 1.0 1.8 5.0 95 50 A 11 LYS H A 11 LYS HDy 1.0 1.8 5.0 96 51 A 11 LYS HEx A 11 LYS HGx 1.0 1.8 3.6 97 51 A 11 LYS HEy A 11 LYS HGx 1.0 1.8 3.6 98 51 A 11 LYS HGy A 11 LYS HEx 1.0 1.8 3.6 99 51 A 11 LYS HEy A 11 LYS HGy 1.0 1.8 3.6 100 52 A 11 LYS HZ% A 11 LYS HEx 1.0 1.7 3.7 101 52 A 11 LYS HEy A 11 LYS HZ% 1.0 1.7 3.7 102 53 A 11 LYS H A 11 LYS HGx 1.0 2.0 4.2 103 53 A 11 LYS H A 11 LYS HGy 1.0 2.0 4.2 104 54 A 11 LYS HZ% A 11 LYS HGx 1.0 2.1 4.3 105 54 A 11 LYS HGy A 11 LYS HZ% 1.0 2.1 4.3 106 55 A 11 LYS H A 12 PHE HA 1.0 1.7 3.5 107 56 A 12 PHE HA A 12 PHE H 1.0 2.2 4.4 108 57 A 12 PHE H A 12 PHE HBy 1.0 2.0 4.2 109 57 A 12 PHE H A 12 PHE HBx 1.0 2.0 4.2 110 58 A 12 PHE H A 13 ILE HA 1.0 1.7 3.5 111 59 A 13 ILE HA A 13 ILE H 1.0 1.7 3.5 112 60 A 13 ILE HD1% A 13 ILE HG1y 1.0 1.6 3.2 113 60 A 13 ILE HD1% A 13 ILE HG1x 1.0 1.6 3.2 114 61 A 13 ILE HD1% A 13 ILE HG1y 1.0 1.7 3.5 115 61 A 13 ILE HD1% A 13 ILE HG1x 1.0 1.7 3.5 116 62 A 13 ILE H A 13 ILE HD1% 1.0 0.0 4.3 117 63 A 13 ILE H A 13 ILE HG1y 1.0 2.2 4.4 118 63 A 13 ILE H A 13 ILE HG1x 1.0 2.2 4.4 119 64 A 13 ILE H A 13 ILE HG1y 1.0 1.8 3.6 120 64 A 13 ILE H A 13 ILE HG1x 1.0 1.8 3.6 121 65 A 13 ILE H A 14 ARG HA 1.0 1.8 3.6 122 66 A 14 ARG HA A 14 ARG H 1.0 1.7 3.7 123 67 A 14 ARG HE A 14 ARG HBy 1.0 1.8 3.8 124 67 A 14 ARG HBx A 14 ARG HE 1.0 1.8 3.8 125 68 A 14 ARG H A 14 ARG HBy 1.0 1.8 3.8 126 68 A 14 ARG H A 14 ARG HBx 1.0 1.8 3.8 127 69 A 14 ARG H A 14 ARG HBy 1.0 1.8 3.8 128 69 A 14 ARG H A 14 ARG HBx 1.0 1.8 3.8 129 70 A 14 ARG HE A 14 ARG HDx 1.0 1.5 3.3 130 70 A 14 ARG HE A 14 ARG HDy 1.0 1.5 3.3 131 71 A 14 ARG H A 14 ARG HDx 1.0 2.2 4.6 132 71 A 14 ARG H A 14 ARG HDy 1.0 2.2 4.6 133 72 A 14 ARG H A 14 ARG HGx 1.0 1.9 3.9 134 72 A 14 ARG H A 14 ARG HGy 1.0 1.9 3.9 135 73 A 14 ARG H A 15 VAL HA 1.0 1.6 3.4 136 74 A 15 VAL HA A 15 VAL H 1.0 1.5 3.3 137 75 A 15 VAL HB A 15 VAL HGx% 1.0 1.6 3.4 138 75 A 15 VAL HB A 15 VAL HGy% 1.0 1.6 3.4 139 76 A 15 VAL H A 15 VAL HB 1.0 1.6 5.0 140 77 A 15 VAL H A 15 VAL HGx% 1.0 1.8 3.6 141 77 A 15 VAL H A 15 VAL HGy% 1.0 1.8 3.6 142 78 A 17 GLY H A 17 GLY HAy 1.0 1.9 3.9 143 78 A 17 GLY HAx A 17 GLY H 1.0 1.9 3.9 144 79 A 17 GLY H A 17 GLY HAy 1.0 2.2 4.6 145 79 A 17 GLY HAx A 17 GLY H 1.0 2.2 4.6 146 80 A 18 VAL HA A 18 VAL HGx% 1.0 1.8 3.8 147 80 A 18 VAL HA A 18 VAL HGy% 1.0 1.8 3.8 148 81 A 18 VAL HA A 18 VAL H 1.0 2.5 5.1 149 82 A 18 VAL HB A 18 VAL HGx% 1.0 1.7 3.5 150 82 A 18 VAL HGy% A 18 VAL HB 1.0 1.7 3.5 151 83 A 18 VAL H A 18 VAL HB 1.0 1.8 3.8 152 84 A 18 VAL H A 18 VAL HGx% 1.0 1.9 3.9 153 84 A 18 VAL HGy% A 18 VAL H 1.0 1.9 3.9 154 85 A 18 VAL HA A 19 THR H 1.0 1.6 3.2 155 86 A 19 THR H A 19 THR HA 1.0 2.4 5.0 156 87 A 19 THR HB A 19 THR HG2% 1.0 1.8 3.6 157 88 A 19 THR H A 19 THR HB 1.0 1.8 3.8 158 89 A 19 THR H A 19 THR HG2% 1.0 2.1 4.3 159 90 A 19 THR HA A 20 ILE H 1.0 1.7 3.5 160 91 A 20 ILE H A 20 ILE HA 1.0 1.7 3.7 161 92 A 20 ILE HB A 20 ILE HG2% 1.0 1.6 3.2 162 93 A 20 ILE H A 20 ILE HB 1.0 1.7 3.5 163 94 A 20 ILE HG2% A 20 ILE HG1x 1.0 1.5 3.3 164 94 A 20 ILE HG2% A 20 ILE HG1y 1.0 1.5 3.3 165 94 A 20 ILE HD1% A 20 ILE HG1y 1.0 1.5 3.3 166 94 A 20 ILE HD1% A 20 ILE HG1x 1.0 1.5 3.3 167 95 A 20 ILE HG2% A 20 ILE HG1x 1.0 1.7 3.5 168 95 A 20 ILE HG2% A 20 ILE HG1y 1.0 1.7 3.5 169 95 A 20 ILE HD1% A 20 ILE HG1y 1.0 1.7 3.5 170 95 A 20 ILE HD1% A 20 ILE HG1x 1.0 1.7 3.5 171 96 A 20 ILE H A 20 ILE HG2% 1.0 1.7 3.5 172 97 A 21 ARG HA A 21 ARG H 1.0 1.6 3.2 173 98 A 21 ARG HBx A 21 ARG HDx 1.0 1.7 3.5 174 98 A 21 ARG HBy A 21 ARG HDx 1.0 1.7 3.5 175 98 A 21 ARG HDy A 21 ARG HBy 1.0 1.7 3.5 176 98 A 21 ARG HBx A 21 ARG HDy 1.0 1.7 3.5 177 99 A 21 ARG HBy A 21 ARG HE 1.0 1.9 3.9 178 99 A 21 ARG HBx A 21 ARG HE 1.0 1.9 3.9 179 100 A 21 ARG H A 21 ARG HBy 1.0 1.8 3.6 180 100 A 21 ARG H A 21 ARG HBx 1.0 1.8 3.6 181 101 A 21 ARG HBx A 21 ARG HDx 1.0 1.7 3.5 182 101 A 21 ARG HBy A 21 ARG HDx 1.0 1.7 3.5 183 101 A 21 ARG HDy A 21 ARG HBy 1.0 1.7 3.5 184 101 A 21 ARG HBx A 21 ARG HDy 1.0 1.7 3.5 185 102 A 21 ARG HBy A 21 ARG HE 1.0 1.9 3.9 186 102 A 21 ARG HBx A 21 ARG HE 1.0 1.9 3.9 187 103 A 21 ARG H A 21 ARG HBy 1.0 1.8 3.6 188 103 A 21 ARG H A 21 ARG HBx 1.0 1.8 3.6 189 104 A 21 ARG HE A 21 ARG HDx 1.0 1.6 3.4 190 104 A 21 ARG HDy A 21 ARG HE 1.0 1.6 3.4 191 105 A 21 ARG HGy A 21 ARG HDx 1.0 1.8 3.6 192 105 A 21 ARG HGx A 21 ARG HDx 1.0 1.8 3.6 193 105 A 21 ARG HDy A 21 ARG HGy 1.0 1.8 3.6 194 105 A 21 ARG HDy A 21 ARG HGx 1.0 1.8 3.6 195 106 A 21 ARG HGy A 21 ARG HDx 1.0 1.7 3.5 196 106 A 21 ARG HGx A 21 ARG HDx 1.0 1.7 3.5 197 106 A 21 ARG HDy A 21 ARG HGy 1.0 1.7 3.5 198 106 A 21 ARG HDy A 21 ARG HGx 1.0 1.7 3.5 199 107 A 21 ARG H A 21 ARG HDx 1.0 2.2 4.6 200 107 A 21 ARG H A 21 ARG HDy 1.0 2.2 4.6 201 108 A 21 ARG HE A 21 ARG HGy 1.0 1.7 3.7 202 108 A 21 ARG HE A 21 ARG HGx 1.0 1.7 3.7 203 109 A 21 ARG HE A 21 ARG HGy 1.0 1.7 3.7 204 109 A 21 ARG HE A 21 ARG HGx 1.0 1.7 3.7 205 110 A 21 ARG HE A 21 ARG HH1% 1.0 1.4 3.0 206 110 A 21 ARG HE A 21 ARG HH2% 1.0 1.4 3.0 207 111 A 21 ARG H A 21 ARG HGy 1.0 1.9 3.9 208 111 A 21 ARG H A 21 ARG HGx 1.0 1.9 3.9 209 112 A 21 ARG H A 21 ARG HGy 1.0 1.9 3.9 210 112 A 21 ARG H A 21 ARG HGx 1.0 1.9 3.9 211 113 A 22 GLU HA A 22 GLU H 1.0 1.8 3.8 212 114 A 22 GLU H A 22 GLU HBy 1.0 1.9 3.9 213 114 A 22 GLU H A 22 GLU HBx 1.0 1.9 3.9 214 115 A 22 GLU HBx A 22 GLU HGx 1.0 1.6 3.2 215 115 A 22 GLU HBy A 22 GLU HGx 1.0 1.6 3.2 216 115 A 22 GLU HBy A 22 GLU HGy 1.0 1.6 3.2 217 115 A 22 GLU HBx A 22 GLU HGy 1.0 1.6 3.2 218 116 A 22 GLU H A 22 GLU HBy 1.0 1.9 3.9 219 116 A 22 GLU H A 22 GLU HBx 1.0 1.9 3.9 220 117 A 22 GLU H A 22 GLU HGx 1.0 1.9 3.9 221 117 A 22 GLU H A 22 GLU HGy 1.0 1.9 3.9 222 118 A 22 GLU HA A 23 LYS H 1.0 1.6 3.2 223 119 A 23 LYS H A 23 LYS HA 1.0 1.8 3.6 224 120 A 23 LYS HBx A 23 LYS HEx 1.0 1.6 3.4 225 120 A 23 LYS HBy A 23 LYS HEx 1.0 1.6 3.4 226 120 A 23 LYS HEy A 23 LYS HBx 1.0 1.6 3.4 227 120 A 23 LYS HBy A 23 LYS HEy 1.0 1.6 3.4 228 121 A 23 LYS H A 23 LYS HBx 1.0 1.8 3.6 229 121 A 23 LYS H A 23 LYS HBy 1.0 1.8 3.6 230 122 A 23 LYS HZ% A 23 LYS HBx 1.0 1.9 3.9 231 122 A 23 LYS HBy A 23 LYS HZ% 1.0 1.9 3.9 232 123 A 23 LYS HDx A 23 LYS HEx 1.0 1.8 3.6 233 123 A 23 LYS HDy A 23 LYS HEx 1.0 1.8 3.6 234 123 A 23 LYS HEy A 23 LYS HDx 1.0 1.8 3.6 235 123 A 23 LYS HEy A 23 LYS HDy 1.0 1.8 3.6 236 124 A 23 LYS H A 23 LYS HDx 1.0 1.8 5.0 237 124 A 23 LYS H A 23 LYS HDy 1.0 1.8 5.0 238 125 A 23 LYS HZ% A 23 LYS HDx 1.0 1.8 3.6 239 125 A 23 LYS HZ% A 23 LYS HDy 1.0 1.8 3.6 240 126 A 23 LYS HEx A 23 LYS HGx 1.0 1.7 3.5 241 126 A 23 LYS HEy A 23 LYS HGx 1.0 1.7 3.5 242 126 A 23 LYS HGy A 23 LYS HEx 1.0 1.7 3.5 243 126 A 23 LYS HEy A 23 LYS HGy 1.0 1.7 3.5 244 127 A 23 LYS HZ% A 23 LYS HEx 1.0 1.5 3.3 245 127 A 23 LYS HEy A 23 LYS HZ% 1.0 1.5 3.3 246 128 A 23 LYS H A 23 LYS HGx 1.0 1.9 3.9 247 128 A 23 LYS H A 23 LYS HGy 1.0 1.9 3.9 248 129 A 23 LYS HZ% A 23 LYS HGx 1.0 2.0 4.0 249 129 A 23 LYS HZ% A 23 LYS HGy 1.0 2.0 4.0 250 130 A 2 ARG HA A 12 PHE HZ 1.0 1.8 4.6 251 131 A 3 PHE HBy A 21 ARG HH1% 1.0 2.8 5.0 252 131 A 3 PHE HBy A 21 ARG HH2% 1.0 2.8 5.0 253 131 A 3 PHE HBx A 21 ARG HH2% 1.0 2.8 5.0 254 131 A 3 PHE HBx A 21 ARG HH1% 1.0 2.8 5.0 255 132 A 3 PHE HZ A 10 GLN HGx 1.0 2.6 5.0 256 132 A 10 GLN HGy A 3 PHE HZ 1.0 2.6 5.0 257 133 A 3 PHE HBy A 21 ARG HE 1.0 2.5 5.0 258 133 A 3 PHE HBx A 21 ARG HE 1.0 2.5 5.0 259 134 A 4 TYR HD% A 9 VAL HGx% 1.0 3.0 5.0 260 134 A 4 TYR HD% A 9 VAL HGy% 1.0 3.0 5.0 261 135 A 9 VAL HA A 23 LYS H 1.0 1.8 4.6 262 136 A 10 GLN H A 22 GLU HA 1.0 2.1 4.1 263 137 A 15 VAL H A 14 ARG HDx 1.0 2.5 4.5 264 137 A 14 ARG HDy A 15 VAL H 1.0 2.5 4.5 265 138 A 14 ARG HE A 19 THR HG2% 1.0 2.5 5.0 266 139 A 15 VAL H A 18 VAL HA 1.0 2.2 5.0 267 140 A 1 GLU H A 14 ARG HA 1.0 1.6 5.0 268 141 A 4 TYR HA A 11 LYS H 1.0 1.7 5.0 269 142 A 5 GLU H A 10 GLN HA 1.0 2.8 5.0 270 143 A 10 GLN H A 23 LYS HA 1.0 1.7 5.0 271 144 A 11 LYS HA A 22 GLU H 1.0 1.5 5.0 272 145 A 13 ILE HA A 20 ILE H 1.0 0.7 5.0 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 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 12 PHE H A 20 ILE O 1.0 1.5 2.5 2 2 A 20 ILE O A 12 PHE N 1.0 2.4 3.6 3 3 A 22 GLU H A 12 PHE O 1.0 1.5 2.5 4 4 A 12 PHE O A 22 GLU N 1.0 2.4 3.6 5 5 A 10 GLN H A 22 GLU O 1.0 1.5 2.5 6 6 A 22 GLU O A 10 GLN N 1.0 2.4 3.6 7 7 A 9 VAL H A 5 GLU O 1.0 1.5 2.5 8 8 A 5 GLU O A 9 VAL N 1.0 2.4 3.6 9 9 A 5 GLU H A 11 LYS O 1.0 1.5 2.5 10 10 A 11 LYS O A 5 GLU N 1.0 2.4 3.6 11 11 A 11 LYS H A 3 PHE O 1.0 1.5 2.5 12 12 A 3 PHE O A 11 LYS N 1.0 2.4 3.6 13 13 A 3 PHE H A 13 ILE O 1.0 1.5 2.5 14 14 A 13 ILE O A 3 PHE N 1.0 2.4 3.6 15 15 A 13 ILE H A 1 GLU O 1.0 1.5 2.5 16 16 A 1 GLU O A 13 ILE N 1.0 2.4 3.6 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _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 GLU C A 2 ARG N A 2 ARG CA A 2 ARG C 1.0 -180.0 -110.0 PHI 2 2 A 2 ARG N A 2 ARG CA A 2 ARG C A 3 PHE N 1.0 90.0 180.0 PSI 3 3 A 2 ARG C A 3 PHE N A 3 PHE CA A 3 PHE C 1.0 -180.0 -110.0 PHI 4 4 A 3 PHE N A 3 PHE CA A 3 PHE C A 4 TYR N 1.0 90.0 180.0 PSI 5 5 A 5 GLU C A 6 LYS N A 6 LYS CA A 6 LYS C 1.0 -180.0 -110.0 PHI 6 6 A 15 VAL N A 15 VAL CA A 15 VAL C A 14 ARG N 1.0 90.0 180.0 . 7 7 A 15 VAL C A 14 ARG N A 14 ARG CA A 14 ARG C 1.0 -180.0 -110.0 . 8 8 A 14 ARG N A 14 ARG CA A 14 ARG C A 13 ILE N 1.0 90.0 180.0 . 9 9 A 14 ARG C A 13 ILE N A 13 ILE CA A 13 ILE C 1.0 -180.0 -110.0 . 10 10 A 13 ILE N A 13 ILE CA A 13 ILE C A 12 PHE N 1.0 90.0 180.0 . 11 11 A 13 ILE C A 12 PHE N A 12 PHE CA A 12 PHE C 1.0 -180.0 -110.0 . 12 12 A 12 PHE N A 12 PHE CA A 12 PHE C A 11 LYS N 1.0 90.0 180.0 . 13 13 A 12 PHE C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 -180.0 -110.0 . 14 14 A 11 LYS N A 11 LYS CA A 11 LYS C A 10 GLN N 1.0 90.0 180.0 . 15 15 A 11 LYS C A 10 GLN N A 10 GLN CA A 10 GLN C 1.0 -180.0 -110.0 . 16 16 A 10 GLN N A 10 GLN CA A 10 GLN C A 9 VAL N 1.0 90.0 180.0 . 17 17 A 18 VAL C A 19 THR N A 19 THR CA A 19 THR C 1.0 -180.0 -110.0 PHI 18 18 A 19 THR N A 19 THR CA A 19 THR C A 20 ILE N 1.0 90.0 180.0 PSI 19 19 A 19 THR C A 20 ILE N A 20 ILE CA A 20 ILE C 1.0 -180.0 -110.0 PHI 20 20 A 20 ILE N A 20 ILE CA A 20 ILE C A 21 ARG N 1.0 90.0 180.0 PSI 21 21 A 20 ILE C A 21 ARG N A 21 ARG CA A 21 ARG C 1.0 -180.0 -110.0 PHI 22 22 A 21 ARG N A 21 ARG CA A 21 ARG C A 22 GLU N 1.0 90.0 180.0 PSI stop_ save_