data_nef_c30306_5w54 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 PDB 5W54 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 8 CYS SG 1 19 CYS SG 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 PHE start . . 2 A 2 GLY middle . false 3 A 3 VAL middle . . 4 A 4 LYS middle . . 5 A 5 ASP middle . . 6 A 6 GLY middle . false 7 A 7 LYS middle . . 8 A 8 CYS middle -HG . 9 A 9 PRO middle . false 10 A 10 SER middle . . 11 A 11 GLY middle . false 12 A 12 ARG middle . . 13 A 13 VAL middle . . 14 A 14 ARG middle . . 15 A 15 ARG middle . . 16 A 16 LEU middle . . 17 A 17 GLY middle . false 18 A 18 ILE middle . . 19 A 19 CYS middle -HG . 20 A 20 VAL middle . . 21 A 21 PRO middle . false 22 A 22 ASP middle . . 23 A 23 ASP middle . . 24 A 24 ASP middle . . 25 A 25 TYR 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 PHE HA H 1 4.290 0.001 A 1 PHE HBy H 1 3.306 0.006 A 1 PHE HBx H 1 3.246 0.002 A 1 PHE HD1 H 1 7.298 0.004 A 1 PHE HD2 H 1 7.298 0.004 A 1 PHE HE1 H 1 7.392 0.010 A 1 PHE HE2 H 1 7.392 0.010 A 1 PHE HZ H 1 7.419 0.000 A 2 GLY H H 1 8.559 0.000 A 2 GLY HA2 H 1 3.968 0.008 A 3 VAL H H 1 8.207 0.003 A 3 VAL HA H 1 4.101 0.005 A 3 VAL HB H 1 2.053 0.002 A 3 VAL HG1% H 1 0.922 0.006 A 4 LYS H H 1 8.489 0.002 A 4 LYS HA H 1 4.305 0.001 A 4 LYS HBy H 1 1.798 0.000 A 4 LYS HBx H 1 1.754 0.007 A 4 LYS HD2 H 1 1.659 0.007 A 4 LYS HEx H 1 2.958 0.007 A 4 LYS HGx H 1 1.374 0.002 A 4 LYS HGy H 1 1.434 0.000 A 5 ASP H H 1 8.361 0.006 A 5 ASP HA H 1 4.635 0.003 A 5 ASP HB2 H 1 2.803 0.000 A 6 GLY H H 1 8.309 0.011 A 6 GLY HAy H 1 3.968 0.013 A 6 GLY HAx H 1 3.848 0.010 A 7 LYS H H 1 8.221 0.003 A 7 LYS HA H 1 4.269 0.004 A 7 LYS HBy H 1 1.790 0.002 A 7 LYS HBx H 1 1.737 0.002 A 7 LYS HDx H 1 1.662 0.005 A 7 LYS HE2 H 1 2.993 0.000 A 7 LYS HGx H 1 1.432 0.002 A 7 LYS HZ1 H 1 7.503 0.000 A 7 LYS HZ2 H 1 7.503 0.000 A 7 LYS HZ3 H 1 7.503 0.000 A 8 CYS H H 1 8.723 0.002 A 8 CYS HA H 1 5.028 0.004 A 8 CYS HBy H 1 2.756 0.008 A 8 CYS HBx H 1 2.533 0.007 A 9 PRO HA H 1 4.470 0.005 A 9 PRO HBy H 1 2.372 0.009 A 9 PRO HBx H 1 2.010 0.005 A 9 PRO HDy H 1 4.003 0.005 A 9 PRO HDx H 1 3.248 0.005 A 9 PRO HGy H 1 1.902 0.007 A 9 PRO HGx H 1 1.739 0.003 A 10 SER H H 1 8.813 0.003 A 10 SER HA H 1 4.191 0.004 A 10 SER HBx H 1 3.861 0.000 A 11 GLY H H 1 8.320 0.002 A 11 GLY HA2 H 1 4.194 0.003 A 11 GLY HA3 H 1 3.705 0.011 A 12 ARG H H 1 8.048 0.003 A 12 ARG HA H 1 5.069 0.005 A 12 ARG HB2 H 1 1.712 0.006 A 12 ARG HDy H 1 2.816 0.004 A 12 ARG HDx H 1 2.749 0.006 A 12 ARG HE H 1 7.163 0.002 A 12 ARG HGy H 1 1.445 0.005 A 12 ARG HGx H 1 1.225 0.004 A 13 VAL H H 1 9.100 0.003 A 13 VAL HA H 1 4.463 0.001 A 13 VAL HB H 1 2.008 0.004 A 13 VAL HG1% H 1 0.824 0.002 A 14 ARG H H 1 8.517 0.002 A 14 ARG HA H 1 4.597 0.002 A 14 ARG HBx H 1 1.764 0.003 A 14 ARG HD2 H 1 2.938 0.005 A 14 ARG HE H 1 7.120 0.015 A 14 ARG HG2 H 1 1.315 0.003 A 14 ARG HGx H 1 1.315 0.003 A 14 ARG HGy H 1 1.498 0.005 A 15 ARG H H 1 9.315 0.001 A 15 ARG HA H 1 4.508 0.004 A 15 ARG HBy H 1 1.720 0.005 A 15 ARG HBx H 1 1.595 0.014 A 15 ARG HDy H 1 3.144 0.007 A 15 ARG HDx H 1 3.066 0.010 A 15 ARG HE H 1 7.164 0.002 A 15 ARG HG2 H 1 1.445 0.007 A 15 ARG HG3 H 1 1.500 0.007 A 16 LEU H H 1 9.439 0.002 A 16 LEU HA H 1 3.925 0.005 A 16 LEU HBy H 1 1.915 0.006 A 16 LEU HBx H 1 1.622 0.006 A 16 LEU HDx% H 1 0.916 0.005 A 16 LEU HDy% H 1 0.875 0.003 A 16 LEU HG H 1 1.535 0.008 A 17 GLY H H 1 8.432 0.002 A 17 GLY HA2 H 1 4.231 0.005 A 17 GLY HA3 H 1 3.600 0.005 A 18 ILE H H 1 7.775 0.003 A 18 ILE HA H 1 4.539 0.003 A 18 ILE HB H 1 1.870 0.005 A 18 ILE HD1% H 1 0.900 0.003 A 18 ILE HG12 H 1 1.453 0.003 A 18 ILE HG2% H 1 1.140 0.005 A 19 CYS H H 1 8.852 0.001 A 19 CYS HA H 1 5.008 0.008 A 19 CYS HBy H 1 3.056 0.005 A 19 CYS HBx H 1 2.523 0.009 A 20 VAL H H 1 9.448 0.004 A 20 VAL HA H 1 4.863 0.000 A 20 VAL HB H 1 2.311 0.003 A 20 VAL HGx% H 1 1.001 0.002 A 20 VAL HGy% H 1 0.895 0.003 A 21 PRO HA H 1 4.464 0.005 A 21 PRO HBy H 1 2.362 0.008 A 21 PRO HBx H 1 2.163 0.004 A 21 PRO HDy H 1 3.810 0.002 A 21 PRO HDx H 1 3.663 0.004 A 21 PRO HG2 H 1 1.866 0.003 A 22 ASP H H 1 8.336 0.004 A 22 ASP HA H 1 4.493 0.001 A 22 ASP HB2 H 1 2.718 0.005 A 23 ASP H H 1 8.277 0.002 A 23 ASP HA H 1 4.633 0.004 A 23 ASP HB2 H 1 2.830 0.008 A 24 ASP H H 1 8.114 0.002 A 24 ASP HA H 1 4.700 0.000 A 24 ASP HBy H 1 2.819 0.002 A 24 ASP HBx H 1 2.705 0.003 A 25 TYR H H 1 7.839 0.002 A 25 TYR HA H 1 4.466 0.004 A 25 TYR HBy H 1 3.081 0.006 A 25 TYR HBx H 1 2.934 0.005 A 25 TYR HD1 H 1 7.077 0.002 A 25 TYR HD2 H 1 7.077 0.002 A 25 TYR HE1 H 1 6.832 0.000 A 25 TYR HE2 H 1 6.832 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 GLY H A 2 GLY HA2 1.0 2.2 6.0 2 1 A 2 GLY H A 2 GLY HAy 1.0 2.2 6.0 3 2 A 3 VAL H A 3 VAL HA 1.0 1.8 5.0 4 3 A 3 VAL H A 3 VAL HG1% 1.0 2.2 4.5 5 3 A 3 VAL H A 3 VAL HG21 1.0 2.2 4.5 6 4 A 4 LYS H A 4 LYS HA 1.0 1.8 5.0 7 5 A 4 LYS H A 4 LYS HBx 1.0 2.2 3.5 8 6 A 4 LYS H A 4 LYS HBy 1.0 2.2 6.0 9 7 A 5 ASP H A 5 ASP HA 1.0 1.8 5.0 10 8 A 5 ASP H A 5 ASP HBy 1.0 2.2 3.5 11 9 A 5 ASP H A 5 ASP HBy 1.0 2.2 6.0 12 10 A 6 GLY H A 6 GLY HAx 1.0 2.2 4.5 13 11 A 6 GLY H A 6 GLY HAy 1.0 2.2 3.5 14 12 A 7 LYS H A 7 LYS HA 1.0 1.8 5.0 15 13 A 7 LYS H A 7 LYS HBx 1.0 2.2 3.5 16 14 A 7 LYS H A 7 LYS HBy 1.0 2.2 4.5 17 15 A 7 LYS H A 7 LYS HDx 1.0 2.2 6.0 18 15 A 7 LYS H A 7 LYS HDy 1.0 2.2 6.0 19 16 A 7 LYS H A 7 LYS HGx 1.0 2.2 4.5 20 16 A 7 LYS H A 7 LYS HGy 1.0 2.2 4.5 21 17 A 8 CYS H A 8 CYS HA 1.0 1.8 5.0 22 18 A 8 CYS H A 8 CYS HBx 1.0 2.2 3.5 23 19 A 8 CYS H A 8 CYS HBy 1.0 2.2 6.0 24 20 A 9 PRO HA A 9 PRO HBx 1.0 2.2 3.5 25 21 A 9 PRO HA A 9 PRO HBy 1.0 2.2 3.7 26 22 A 9 PRO HA A 9 PRO HGx 1.0 2.2 4.5 27 23 A 9 PRO HBx A 9 PRO HGx 1.0 2.2 3.5 28 24 A 9 PRO HGy A 9 PRO HBx 1.0 2.2 3.7 29 25 A 9 PRO HBy A 9 PRO HGx 1.0 2.2 3.7 30 26 A 9 PRO HBy A 9 PRO HGy 1.0 2.2 3.5 31 27 A 9 PRO HDx A 9 PRO HGx 1.0 2.2 3.5 32 28 A 9 PRO HDy A 9 PRO HGx 1.0 2.2 3.7 33 29 A 9 PRO HDx A 9 PRO HGy 1.0 2.2 3.5 34 30 A 9 PRO HDy A 9 PRO HGy 1.0 2.2 3.7 35 31 A 9 PRO HDx A 9 PRO HBx 1.0 2.2 6.0 36 32 A 9 PRO HDy A 9 PRO HBx 1.0 2.2 6.0 37 33 A 9 PRO HDx A 9 PRO HBy 1.0 2.2 6.0 38 34 A 9 PRO HDy A 9 PRO HBy 1.0 2.2 6.0 39 35 A 11 GLY H A 11 GLY HA3 1.0 2.2 3.5 40 36 A 11 GLY H A 11 GLY HA2 1.0 2.2 6.0 41 37 A 12 ARG H A 12 ARG HA 1.0 2.2 6.0 42 38 A 12 ARG H A 12 ARG HB2 1.0 2.2 3.5 43 38 A 12 ARG H A 12 ARG HBy 1.0 2.2 3.5 44 39 A 12 ARG H A 12 ARG HDx 1.0 2.2 6.0 45 40 A 12 ARG H A 12 ARG HGx 1.0 2.2 4.5 46 41 A 12 ARG H A 12 ARG HGy 1.0 2.2 6.0 47 42 A 12 ARG HE A 12 ARG HB2 1.0 2.2 6.0 48 42 A 12 ARG HBy A 12 ARG HE 1.0 2.2 6.0 49 43 A 12 ARG HDx A 12 ARG HE 1.0 2.2 3.5 50 44 A 12 ARG HE A 12 ARG HDy 1.0 2.2 3.5 51 45 A 12 ARG HGx A 12 ARG HE 1.0 2.2 4.5 52 46 A 13 VAL H A 13 VAL HA 1.0 1.8 5.0 53 47 A 13 VAL H A 13 VAL HB 1.0 1.8 5.0 54 48 A 14 ARG H A 14 ARG HBx 1.0 2.2 3.5 55 48 A 14 ARG H A 14 ARG HBy 1.0 2.2 3.5 56 49 A 14 ARG H A 14 ARG HD2 1.0 2.2 6.0 57 49 A 14 ARG H A 14 ARG HDy 1.0 2.2 6.0 58 50 A 14 ARG H A 14 ARG HE 1.0 2.2 6.0 59 51 A 14 ARG H A 14 ARG HGy 1.0 2.2 6.0 60 52 A 14 ARG H A 14 ARG HGx 1.0 2.2 6.0 61 53 A 14 ARG HE A 14 ARG HBx 1.0 2.2 3.5 62 53 A 14 ARG HBy A 14 ARG HE 1.0 2.2 3.5 63 54 A 14 ARG HE A 14 ARG HD2 1.0 2.2 3.5 64 54 A 14 ARG HDy A 14 ARG HE 1.0 2.2 3.5 65 55 A 14 ARG HE A 14 ARG HGy 1.0 2.2 6.0 66 56 A 14 ARG HE A 14 ARG HGx 1.0 2.2 6.0 67 57 A 15 ARG HE A 15 ARG HBx 1.0 2.2 6.0 68 58 A 15 ARG HE A 15 ARG HDx 1.0 2.2 4.5 69 59 A 15 ARG HE A 15 ARG HDy 1.0 2.2 6.0 70 60 A 15 ARG HE A 15 ARG HG2 1.0 2.2 6.0 71 61 A 16 LEU H A 16 LEU HA 1.0 2.2 3.5 72 62 A 16 LEU H A 16 LEU HBx 1.0 2.2 4.5 73 63 A 16 LEU H A 16 LEU HBy 1.0 2.2 6.0 74 64 A 16 LEU H A 16 LEU HDx% 1.0 2.2 3.5 75 65 A 16 LEU H A 16 LEU HG 1.0 2.2 6.0 76 66 A 17 GLY H A 17 GLY HA3 1.0 2.2 3.5 77 67 A 17 GLY H A 17 GLY HA2 1.0 2.2 6.0 78 68 A 18 ILE H A 18 ILE HB 1.0 2.2 4.5 79 69 A 18 ILE H A 18 ILE HD1% 1.0 2.2 6.0 80 70 A 18 ILE H A 18 ILE HG12 1.0 2.2 6.0 81 70 A 18 ILE H A 18 ILE HG1y 1.0 2.2 6.0 82 71 A 18 ILE H A 18 ILE HG2% 1.0 2.2 4.5 83 72 A 18 ILE HB A 18 ILE HG2% 1.0 2.2 6.0 84 73 A 19 CYS H A 19 CYS HA 1.0 2.2 6.0 85 74 A 19 CYS H A 19 CYS HBx 1.0 2.2 4.5 86 75 A 19 CYS H A 19 CYS HBy 1.0 2.2 6.0 87 76 A 20 VAL H A 20 VAL HA 1.0 2.2 3.5 88 77 A 20 VAL H A 20 VAL HB 1.0 2.2 6.0 89 78 A 20 VAL H A 20 VAL HGx% 1.0 2.2 4.5 90 79 A 20 VAL H A 20 VAL HGy% 1.0 2.2 6.0 91 80 A 20 VAL HA A 20 VAL HB 1.0 2.2 3.5 92 81 A 20 VAL HB A 20 VAL HGx% 1.0 2.2 3.5 93 82 A 20 VAL HB A 20 VAL HGy% 1.0 2.2 3.5 94 83 A 21 PRO HA A 21 PRO HBx 1.0 2.2 3.5 95 84 A 21 PRO HA A 21 PRO HBy 1.0 2.2 3.7 96 85 A 21 PRO HA A 21 PRO HGy 1.0 1.2 4.5 97 86 A 21 PRO HGy A 21 PRO HBx 1.0 2.2 3.5 98 87 A 21 PRO HG2 A 21 PRO HBx 1.0 2.2 3.7 99 88 A 21 PRO HGy A 21 PRO HBy 1.0 2.2 3.7 100 89 A 21 PRO HG2 A 21 PRO HBy 1.0 2.2 3.5 101 90 A 21 PRO HGy A 21 PRO HDx 1.0 2.2 3.5 102 91 A 21 PRO HGy A 21 PRO HDy 1.0 2.2 3.7 103 92 A 21 PRO HG2 A 21 PRO HDx 1.0 2.2 3.7 104 93 A 21 PRO HG2 A 21 PRO HDy 1.0 2.2 3.5 105 94 A 21 PRO HDx A 21 PRO HBx 1.0 2.2 6.0 106 95 A 21 PRO HDy A 21 PRO HBx 1.0 2.2 6.0 107 96 A 21 PRO HDx A 21 PRO HBy 1.0 2.2 6.0 108 97 A 21 PRO HDy A 21 PRO HBy 1.0 2.2 6.0 109 98 A 22 ASP H A 22 ASP HA 1.0 2.2 3.5 110 99 A 22 ASP H A 22 ASP HB2 1.0 2.2 3.5 111 99 A 22 ASP H A 22 ASP HBy 1.0 2.2 3.5 112 100 A 23 ASP H A 23 ASP HA 1.0 2.2 4.5 113 101 A 23 ASP H A 23 ASP HB2 1.0 2.2 3.5 114 101 A 23 ASP H A 23 ASP HBy 1.0 2.2 3.5 115 102 A 24 ASP H A 24 ASP HA 1.0 2.2 4.5 116 103 A 24 ASP H A 24 ASP HBx 1.0 2.2 3.5 117 104 A 24 ASP H A 24 ASP HBy 1.0 2.2 4.5 118 105 A 25 TYR H A 25 TYR HBx 1.0 2.2 4.5 119 106 A 25 TYR H A 25 TYR HBy 1.0 2.2 6.0 120 107 A 3 VAL H A 4 LYS H 1.0 1.8 4.0 121 108 A 4 LYS H A 3 VAL HG1% 1.0 2.2 6.0 122 108 A 3 VAL HG21 A 4 LYS H 1.0 2.2 6.0 123 109 A 4 LYS H A 5 ASP H 1.0 1.8 4.0 124 110 A 6 GLY H A 7 LYS H 1.0 1.8 3.5 125 111 A 6 GLY HAx A 7 LYS H 1.0 1.8 3.5 126 112 A 7 LYS H A 8 CYS H 1.0 1.8 3.5 127 113 A 7 LYS HBx A 8 CYS H 1.0 1.8 3.5 128 114 A 8 CYS H A 7 LYS HGx 1.0 2.2 6.0 129 114 A 7 LYS HGy A 8 CYS H 1.0 2.2 6.0 130 115 A 8 CYS HBx A 7 LYS HGx 1.0 2.2 6.0 131 115 A 7 LYS HGy A 8 CYS HBx 1.0 2.2 6.0 132 116 A 8 CYS HBx A 9 PRO HDx 1.0 2.2 4.5 133 117 A 8 CYS HBx A 9 PRO HDy 1.0 2.2 4.5 134 118 A 8 CYS HBy A 9 PRO HDx 1.0 2.2 4.5 135 119 A 8 CYS HBy A 9 PRO HDy 1.0 2.2 4.5 136 120 A 9 PRO HA A 10 SER H 1.0 1.8 4.0 137 121 A 10 SER H A 9 PRO HBx 1.0 2.2 6.0 138 121 A 10 SER H A 9 PRO HBy 1.0 2.2 6.0 139 122 A 10 SER H A 9 PRO HGx 1.0 2.2 6.0 140 122 A 10 SER H A 9 PRO HGy 1.0 2.2 6.0 141 123 A 11 GLY H A 10 SER H 1.0 1.8 3.5 142 124 A 11 GLY H A 12 ARG H 1.0 2.2 6.0 143 125 A 11 GLY H A 12 ARG HA 1.0 2.2 6.0 144 126 A 11 GLY HA2 A 12 ARG H 1.0 2.2 4.5 145 127 A 12 ARG HA A 13 VAL H 1.0 1.8 3.5 146 128 A 13 VAL H A 12 ARG HB2 1.0 2.2 4.5 147 128 A 12 ARG HBy A 13 VAL H 1.0 2.2 4.5 148 129 A 12 ARG HDy A 13 VAL H 1.0 2.2 6.0 149 130 A 12 ARG HGx A 13 VAL H 1.0 2.2 6.0 150 131 A 12 ARG HGy A 13 VAL H 1.0 2.2 6.0 151 132 A 13 VAL HA A 14 ARG H 1.0 1.8 3.5 152 133 A 13 VAL HB A 14 ARG H 1.0 2.2 4.5 153 134 A 14 ARG H A 15 ARG H 1.0 2.2 6.0 154 135 A 15 ARG H A 14 ARG HBx 1.0 1.8 4.0 155 135 A 14 ARG HBy A 15 ARG H 1.0 1.8 4.0 156 136 A 15 ARG H A 14 ARG HD2 1.0 2.2 4.5 157 136 A 14 ARG HDy A 15 ARG H 1.0 2.2 4.5 158 137 A 14 ARG HE A 15 ARG H 1.0 2.2 6.0 159 138 A 15 ARG H A 14 ARG HGx 1.0 2.2 4.5 160 138 A 15 ARG H A 14 ARG HGy 1.0 2.2 4.5 161 139 A 16 LEU H A 15 ARG HA 1.0 2.2 4.5 162 140 A 15 ARG HBx A 16 LEU H 1.0 2.2 4.7 163 141 A 16 LEU H A 15 ARG HBy 1.0 2.2 6.0 164 142 A 16 LEU HA A 17 GLY H 1.0 2.2 6.0 165 143 A 16 LEU HBx A 17 GLY H 1.0 2.2 6.0 166 144 A 16 LEU HBy A 17 GLY H 1.0 2.2 6.0 167 145 A 16 LEU HDx% A 17 GLY H 1.0 2.2 4.5 168 146 A 17 GLY H A 18 ILE H 1.0 1.8 4.0 169 147 A 18 ILE H A 17 GLY HA2 1.0 2.2 6.0 170 147 A 18 ILE H A 17 GLY HA3 1.0 2.2 6.0 171 148 A 18 ILE HD1% A 19 CYS H 1.0 2.2 4.7 172 149 A 18 ILE H A 19 CYS H 1.0 2.2 6.0 173 150 A 19 CYS H A 18 ILE HA 1.0 1.8 4.0 174 151 A 18 ILE HB A 19 CYS H 1.0 2.2 4.5 175 152 A 19 CYS H A 18 ILE HG12 1.0 2.2 4.5 176 152 A 18 ILE HG1y A 19 CYS H 1.0 2.2 4.5 177 153 A 18 ILE HG2% A 19 CYS H 1.0 2.2 6.0 178 154 A 19 CYS HA A 20 VAL H 1.0 1.8 3.5 179 155 A 19 CYS HBx A 20 VAL H 1.0 1.8 4.0 180 156 A 19 CYS HBy A 20 VAL H 1.0 2.2 4.5 181 157 A 21 PRO HA A 22 ASP HB2 1.0 2.2 4.5 182 157 A 21 PRO HA A 22 ASP HBy 1.0 2.2 4.5 183 158 A 20 VAL HB A 21 PRO HDx 1.0 2.2 4.5 184 159 A 20 VAL HB A 21 PRO HDy 1.0 2.2 4.5 185 160 A 21 PRO HA A 22 ASP H 1.0 2.2 4.5 186 161 A 22 ASP H A 21 PRO HBx 1.0 2.2 6.0 187 161 A 22 ASP H A 21 PRO HBy 1.0 2.2 6.0 188 162 A 22 ASP H A 23 ASP H 1.0 2.2 4.5 189 163 A 22 ASP HA A 23 ASP H 1.0 2.2 6.0 190 164 A 23 ASP H A 22 ASP HB2 1.0 1.8 3.5 191 164 A 22 ASP HBy A 23 ASP H 1.0 1.8 3.5 192 165 A 23 ASP H A 24 ASP H 1.0 1.8 2.5 193 166 A 23 ASP HA A 24 ASP H 1.0 2.0 4.3 194 167 A 24 ASP H A 25 TYR H 1.0 1.8 3.5 195 168 A 24 ASP HBx A 25 TYR H 1.0 2.2 4.5 196 169 A 24 ASP HBy A 25 TYR H 1.0 2.2 4.5 197 170 A 5 ASP H A 3 VAL HG1% 1.0 2.2 4.5 198 170 A 3 VAL HG21 A 5 ASP H 1.0 2.2 4.5 199 171 A 6 GLY H A 3 VAL HG1% 1.0 2.2 4.5 200 171 A 3 VAL HG21 A 6 GLY H 1.0 2.2 4.5 201 172 A 8 CYS HBx A 12 ARG HBy 1.0 1.8 3.5 202 173 A 8 CYS HBx A 12 ARG HGx 1.0 2.2 6.0 203 174 A 8 CYS HBx A 12 ARG HGy 1.0 1.8 4.0 204 175 A 15 ARG H A 13 VAL HG1% 1.0 2.2 5.0 205 175 A 15 ARG H A 13 VAL HG21 1.0 2.2 5.0 206 176 A 17 GLY H A 15 ARG H 1.0 2.2 4.5 207 177 A 16 LEU H A 18 ILE H 1.0 2.2 6.0 208 178 A 16 LEU H A 18 ILE H 1.0 2.2 6.0 209 179 A 16 LEU HA A 18 ILE H 1.0 2.2 4.7 210 180 A 16 LEU HBx A 18 ILE H 1.0 2.2 6.0 211 181 A 18 ILE H A 20 VAL HGy% 1.0 2.2 6.0 212 182 A 18 ILE HB A 20 VAL HGy% 1.0 2.2 6.0 213 183 A 20 VAL HGy% A 18 ILE HG12 1.0 2.2 6.0 214 183 A 18 ILE HG1y A 20 VAL HGy% 1.0 2.2 6.0 215 184 A 23 ASP H A 21 PRO HBx 1.0 2.2 4.5 216 184 A 23 ASP H A 21 PRO HBy 1.0 2.2 4.5 217 185 A 22 ASP HA A 24 ASP H 1.0 2.2 6.0 218 186 A 19 CYS H A 13 VAL HG1% 1.0 2.2 6.0 219 186 A 19 CYS H A 13 VAL HG21 1.0 2.2 6.0 220 187 A 12 ARG HDx A 20 VAL H 1.0 2.2 6.0 221 188 A 12 ARG HGx A 20 VAL H 1.0 2.2 6.0 222 189 A 13 VAL H A 20 VAL H 1.0 2.2 4.5 223 190 A 20 VAL H A 14 ARG HA 1.0 1.4 4.5 224 191 A 20 VAL H A 14 ARG HBx 1.0 2.2 6.0 225 191 A 14 ARG HBy A 20 VAL H 1.0 2.2 6.0 226 192 A 20 VAL H A 14 ARG HGx 1.0 2.2 6.0 227 192 A 20 VAL H A 14 ARG HGy 1.0 2.2 6.0 228 193 A 12 ARG HGx A 22 ASP H 1.0 2.2 7.0 229 194 A 12 ARG HGy A 22 ASP H 1.0 2.2 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 undefined _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 CYS CB A 19 CYS SG 1.0 2.2 3.5 2 2 A 19 CYS SG A 8 CYS SG 1.0 2.0 2.5 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 10 SER H A 8 CYS O 1.0 1.8 2.5 2 2 A 8 CYS O A 10 SER N 1.0 2.4 3.5 3 3 A 18 ILE H A 15 ARG O 1.0 1.8 2.5 4 4 A 15 ARG O A 18 ILE N 1.0 2.4 3.5 5 5 A 15 ARG H A 18 ILE O 1.0 2.4 4.0 6 6 A 18 ILE O A 15 ARG N 1.0 2.2 4.5 7 7 A 13 VAL H A 20 VAL O 1.0 2.2 4.5 8 8 A 20 VAL O A 13 VAL N 1.0 2.2 5.5 stop_ save_ save_CNS/XPLOR_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_5 _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 8 CYS C A 9 PRO N A 9 PRO CA A 9 PRO C 1.0 -100.0 -40.0 PHI 2 2 A 11 GLY C A 12 ARG N A 12 ARG CA A 12 ARG C 1.0 -180.0 -90.0 PHI 3 3 A 12 ARG C A 13 VAL N A 13 VAL CA A 13 VAL C 1.0 -180.0 -90.0 PHI 4 4 A 13 VAL C A 14 ARG N A 14 ARG CA A 14 ARG C 1.0 -180.0 -90.0 PHI 5 5 A 14 ARG C A 15 ARG N A 15 ARG CA A 15 ARG C 1.0 -190.0 -80.0 PHI 6 6 A 15 ARG C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 30.0 90.0 PHI 7 7 A 16 LEU C A 17 GLY N A 17 GLY CA A 17 GLY C 1.0 60.0 120.0 PHI 8 8 A 17 GLY C A 18 ILE N A 18 ILE CA A 18 ILE C 1.0 -180.0 -90.0 PHI 9 9 A 18 ILE C A 19 CYS N A 19 CYS CA A 19 CYS C 1.0 -180.0 -90.0 PHI 10 10 A 19 CYS C A 20 VAL N A 20 VAL CA A 20 VAL C 1.0 -180.0 -90.0 PHI 11 11 A 9 PRO N A 9 PRO CA A 9 PRO C A 10 SER N 1.0 30.0 90.0 PSI 12 12 A 12 ARG N A 12 ARG CA A 12 ARG C A 13 VAL N 1.0 90.0 180.0 PSI 13 13 A 13 VAL N A 13 VAL CA A 13 VAL C A 14 ARG N 1.0 90.0 180.0 PSI 14 14 A 14 ARG N A 14 ARG CA A 14 ARG C A 15 ARG N 1.0 90.0 180.0 PSI 15 15 A 15 ARG N A 15 ARG CA A 15 ARG C A 16 LEU N 1.0 90.0 180.0 PSI 16 16 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 GLY N 1.0 0.0 60.0 PSI 17 17 A 17 GLY N A 17 GLY CA A 17 GLY C A 18 ILE N 1.0 -30.0 30.0 PSI 18 18 A 18 ILE N A 18 ILE CA A 18 ILE C A 19 CYS N 1.0 90.0 180.0 PSI 19 19 A 19 CYS N A 19 CYS CA A 19 CYS C A 20 VAL N 1.0 90.0 180.0 PSI 20 20 A 20 VAL N A 20 VAL CA A 20 VAL C A 21 PRO N 1.0 90.0 180.0 PSI stop_ save_