data_nef_c17731_2lew 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 . PDB . 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 4 CYS SG 1 29 CYS SG 1 6 CYS SG 1 21 CYS SG 1 11 CYS SG 1 28 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 GLY start . false 2 A 2 LEU middle . . 3 A 3 LEU middle . . 4 A 4 CYS middle -HG . 5 A 5 TYR middle . . 6 A 6 CYS middle -HG . 7 A 7 ARG middle . . 8 A 8 LYS middle . . 9 A 9 GLY middle . false 10 A 10 HIS middle . . 11 A 11 CYS middle -HG . 12 A 12 LYS middle . . 13 A 13 ARG middle . . 14 A 14 GLY middle . false 15 A 15 GLY middle . false 16 A 16 ARG middle . . 17 A 17 VAL middle . . 18 A 18 ARG middle . . 19 A 19 GLY middle . false 20 A 20 THR middle . . 21 A 21 CYS middle -HG . 22 A 22 GLY middle . false 23 A 23 ILE middle . . 24 A 24 ARG middle . . 25 A 25 PHE middle . . 26 A 26 LEU middle . . 27 A 27 TYR middle . . 28 A 28 CYS middle -HG . 29 A 29 CYS middle -HG . 30 A 30 PRO middle . false 31 A 31 ARG middle . . 32 A 32 ARG 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 2 LEU HA H 1 4.355 0.001 A 2 LEU HBx H 1 1.65 0 A 2 LEU HBy H 1 1.65 0 A 2 LEU HDx% H 1 0.925 0 A 2 LEU HDy% H 1 0.879 0 A 2 LEU HG H 1 1.566 0 A 3 LEU H H 1 8.341 0.002 A 3 LEU HA H 1 4.406 0.003 A 3 LEU HBx H 1 1.651 0.027 A 3 LEU HBy H 1 1.651 0.027 A 3 LEU HDx% H 1 0.939 0 A 3 LEU HDy% H 1 0.882 0 A 3 LEU HG H 1 1.625 0 A 4 CYS H H 1 7.946 0.002 A 4 CYS HA H 1 5.096 0.007 A 4 CYS HBy H 1 3.12 0.002 A 4 CYS HBx H 1 1.987 0.003 A 5 TYR H H 1 8.663 0.002 A 5 TYR HA H 1 4.836 0 A 5 TYR HBy H 1 2.969 0.002 A 5 TYR HBx H 1 2.825 0.002 A 5 TYR HDx H 1 6.919 0.003 A 5 TYR HDy H 1 6.919 0.003 A 5 TYR HEx H 1 6.589 0.002 A 5 TYR HEy H 1 6.589 0.002 A 6 CYS H H 1 8.942 0 A 6 CYS HA H 1 5.781 0.006 A 6 CYS HBy H 1 3.044 0.007 A 6 CYS HBx H 1 2.902 0.009 A 7 ARG H H 1 9.828 0.002 A 7 ARG HA H 1 4.738 0.005 A 7 ARG HBy H 1 1.865 0.003 A 7 ARG HBx H 1 1.748 0.002 A 7 ARG HDy H 1 3.469 0 A 7 ARG HDx H 1 3.191 0 A 7 ARG HGx H 1 1.997 0.002 A 7 ARG HGy H 1 1.997 0.002 A 8 LYS H H 1 8.639 0.001 A 8 LYS HA H 1 3.882 0.005 A 8 LYS HBy H 1 1.505 0.002 A 8 LYS HBx H 1 1.154 0.002 A 8 LYS HDx H 1 1.461 0.005 A 8 LYS HDy H 1 1.461 0.005 A 8 LYS HEx H 1 2.813 0.002 A 8 LYS HEy H 1 2.813 0.002 A 8 LYS HGx H 1 1.006 0.002 A 8 LYS HGy H 1 1.006 0.002 A 9 GLY H H 1 8.781 0.002 A 9 GLY HAy H 1 4.237 0 A 9 GLY HAx H 1 3.332 0.002 A 10 HIS H H 1 8.076 0.002 A 10 HIS HA H 1 4.545 0.003 A 10 HIS HBy H 1 3.258 0.002 A 10 HIS HBx H 1 2.885 0.002 A 11 CYS H H 1 8.854 0 A 11 CYS HA H 1 4.842 0 A 11 CYS HBy H 1 3.196 0.002 A 11 CYS HBx H 1 2.597 0.002 A 12 LYS H H 1 7.967 0 A 12 LYS HA H 1 4.34 0.059 A 12 LYS HBy H 1 1.886 0.003 A 12 LYS HBx H 1 1.666 0.003 A 12 LYS HDy H 1 1.53 0.004 A 12 LYS HDx H 1 1.44 0.004 A 12 LYS HEx H 1 2.614 0.004 A 12 LYS HEy H 1 2.614 0.004 A 12 LYS HGy H 1 1.369 0.004 A 12 LYS HGx H 1 1.306 0.005 A 13 ARG H H 1 8.47 0 A 13 ARG HA H 1 4.048 0.012 A 13 ARG HBy H 1 1.82 0 A 13 ARG HBx H 1 1.76 0 A 13 ARG HGy H 1 1.7 0 A 13 ARG HGx H 1 1.597 0 A 14 GLY HAy H 1 4.293 0 A 14 GLY HAx H 1 3.73 0.003 A 15 GLY H H 1 8.385 0 A 15 GLY HAy H 1 4.39 0.002 A 15 GLY HAx H 1 3.387 0.001 A 16 ARG H H 1 8.855 0.002 A 16 ARG HA H 1 4.701 0.003 A 16 ARG HBx H 1 1.715 0 A 16 ARG HBy H 1 1.715 0 A 16 ARG HGx H 1 1.558 0.002 A 16 ARG HGy H 1 1.558 0.002 A 17 VAL H H 1 8.749 0.002 A 17 VAL HA H 1 4.065 0.001 A 17 VAL HB H 1 2.1 0.004 A 17 VAL HGx% H 1 1.171 0.002 A 17 VAL HGy% H 1 1.118 0.002 A 18 ARG H H 1 9.5 0.001 A 18 ARG HA H 1 4.7 0.005 A 18 ARG HBx H 1 2.118 0.004 A 18 ARG HBy H 1 2.118 0.004 A 18 ARG HDx H 1 3.193 0.005 A 18 ARG HDy H 1 3.193 0.005 A 18 ARG HGx H 1 1.558 0.006 A 18 ARG HGy H 1 1.558 0.006 A 19 GLY H H 1 7.821 0.002 A 19 GLY HAy H 1 4.438 0.002 A 19 GLY HAx H 1 4.102 0.003 A 20 THR H H 1 8.608 0 A 20 THR HA H 1 5.065 0 A 20 THR HB H 1 4.417 0 A 20 THR HG2% H 1 1.205 0 A 21 CYS H H 1 8.159 0.002 A 21 CYS HA H 1 4.874 0 A 21 CYS HBx H 1 3.267 0.001 A 21 CYS HBy H 1 3.267 0.001 A 22 GLY H H 1 8.319 0.002 A 22 GLY HAy H 1 3.97 0.001 A 22 GLY HAx H 1 3.774 0.002 A 23 ILE H H 1 8.145 0 A 23 ILE HA H 1 4.028 0 A 23 ILE HB H 1 1.865 0 A 23 ILE HD1% H 1 0.848 0 A 23 ILE HG1x H 1 1.166 0 A 23 ILE HG1y H 1 1.466 0 A 23 ILE HG2% H 1 0.91 0 A 24 ARG H H 1 8.457 0.01 A 24 ARG HA H 1 3.991 0 A 24 ARG HBx H 1 1.857 0 A 24 ARG HBy H 1 1.857 0 A 24 ARG HDx H 1 3.155 0.014 A 24 ARG HDy H 1 3.155 0.014 A 24 ARG HGx H 1 1.55 0 A 24 ARG HGy H 1 1.55 0 A 25 PHE H H 1 7.854 0.002 A 25 PHE HA H 1 4.904 0 A 25 PHE HBy H 1 2.968 0.002 A 25 PHE HBx H 1 2.916 0.002 A 25 PHE HDx H 1 7.137 0.002 A 25 PHE HDy H 1 7.137 0.002 A 25 PHE HEx H 1 7.387 0.002 A 25 PHE HEy H 1 7.387 0.002 A 25 PHE HZ H 1 7.357 0.002 A 26 LEU H H 1 8.983 0.002 A 26 LEU HA H 1 4.635 0.003 A 26 LEU HBy H 1 1.802 0.002 A 26 LEU HBx H 1 1.359 0.002 A 26 LEU HDx% H 1 0.836 0.003 A 26 LEU HDy% H 1 0.783 0.002 A 26 LEU HG H 1 1.671 0.002 A 27 TYR H H 1 8.222 0.002 A 27 TYR HA H 1 4.959 0.001 A 27 TYR HBy H 1 2.526 0.002 A 27 TYR HBx H 1 2.316 0.004 A 27 TYR HDx H 1 6.796 0.002 A 27 TYR HDy H 1 6.796 0.002 A 27 TYR HEx H 1 6.608 0.004 A 27 TYR HEy H 1 6.608 0.004 A 28 CYS H H 1 8.768 0.006 A 28 CYS HA H 1 4.979 0.002 A 28 CYS HBy H 1 2.201 0.002 A 28 CYS HBx H 1 2.006 0.004 A 29 CYS H H 1 8.878 0 A 29 CYS HA H 1 5.059 0.004 A 29 CYS HBy H 1 3.032 0.003 A 29 CYS HBx H 1 2.452 0.004 A 30 PRO HA H 1 4.716 0 A 30 PRO HBx H 1 2.378 0.003 A 30 PRO HBy H 1 2.378 0.003 A 30 PRO HDy H 1 3.771 0.003 A 30 PRO HDx H 1 3.604 0.005 A 30 PRO HGy H 1 2.127 0.008 A 30 PRO HGx H 1 2.02 0.002 A 31 ARG H H 1 8.429 0.002 A 31 ARG HA H 1 4.103 0.015 A 31 ARG HBx H 1 1.794 0.018 A 31 ARG HBy H 1 1.794 0.018 A 31 ARG HDx H 1 3.156 0.013 A 31 ARG HDy H 1 3.156 0.013 A 31 ARG HGx H 1 1.593 0.016 A 31 ARG HGy H 1 1.593 0.016 A 32 ARG H H 1 7.877 0.002 A 32 ARG HA H 1 4.124 0.001 A 32 ARG HBx H 1 1.799 0.019 A 32 ARG HBy H 1 1.799 0.019 A 32 ARG HDx H 1 3.185 0.007 A 32 ARG HDy H 1 3.185 0.007 A 32 ARG HE H 1 7.173 0 A 32 ARG HGy H 1 1.702 0.018 A 32 ARG HGx H 1 1.572 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 16 ARG HA A 17 VAL H 1.0 1.8 2.83 2 2 A 17 VAL HA A 18 ARG H 1.0 1.8 2.59 3 3 A 18 ARG H A 17 VAL HB 1.0 1.8 4.20 4 4 A 3 LEU HA A 4 CYS H 1.0 1.8 2.96 5 5 A 5 TYR HA A 6 CYS H 1.0 1.8 3.21 6 6 A 6 CYS H A 5 TYR HBx 1.0 1.8 4.17 7 7 A 6 CYS H A 5 TYR HBy 1.0 1.8 5.16 8 8 A 20 THR HB A 21 CYS H 1.0 1.8 2.99 9 9 A 21 CYS H A 20 THR HA 1.0 1.8 2.74 10 10 A 7 ARG H A 26 LEU H 1.0 1.8 3.45 11 11 A 17 VAL H A 16 ARG H 1.0 1.8 4.32 12 12 A 18 ARG H A 19 GLY H 1.0 1.8 3.27 13 13 A 26 LEU HA A 27 TYR H 1.0 1.8 2.46 14 14 A 4 CYS HBx A 5 TYR H 1.0 1.8 2.87 15 15 A 5 TYR H A 4 CYS HA 1.0 1.8 2.56 16 16 A 28 CYS HA A 29 CYS H 1.0 1.8 2.62 17 17 A 29 CYS H A 28 CYS HBx 1.0 1.8 4.01 18 18 A 26 LEU H A 25 PHE HA 1.0 1.8 2.59 19 19 A 26 LEU H A 25 PHE HBy 1.0 1.8 4.66 20 20 A 24 ARG HA A 25 PHE H 1.0 1.8 3.24 21 21 A 8 LYS H A 9 GLY H 1.0 1.8 4.29 22 22 A 25 PHE H A 24 ARG H 1.0 1.8 4.94 23 23 A 27 TYR H A 26 LEU HBy 1.0 1.8 4.17 24 24 A 27 TYR H A 26 LEU HBx 1.0 1.8 3.24 25 25 A 9 GLY H A 8 LYS HBy 1.0 1.8 4.38 26 26 A 9 GLY H A 8 LYS HA 1.0 1.8 3.36 27 27 A 7 ARG H A 6 CYS HA 1.0 1.8 2.56 28 28 A 6 CYS HA A 28 CYS H 1.0 1.8 3.79 29 29 A 27 TYR H A 28 CYS H 1.0 1.8 4.88 30 30 A 5 TYR H A 4 CYS HBy 1.0 1.8 3.48 31 31 A 21 CYS H A 25 PHE H 1.0 1.8 4.01 32 32 A 26 LEU H A 27 TYR H 1.0 1.8 4.79 33 33 A 19 GLY H A 27 TYR H 1.0 1.8 4.38 34 34 A 21 CYS H A 25 PHE HBy 1.0 1.8 4.01 35 35 A 17 VAL HB A 19 GLY H 1.0 1.8 4.54 36 36 A 7 ARG H A 6 CYS HBx 1.0 1.8 4.32 37 37 A 7 ARG H A 6 CYS HBy 1.0 1.8 4.32 38 38 A 18 ARG H A 28 CYS HA 1.0 1.8 3.79 39 39 A 26 LEU H A 8 LYS HA 1.0 1.8 3.79 40 40 A 26 LEU H A 25 PHE HBx 1.0 1.8 5.19 41 41 A 6 CYS HA A 27 TYR HA 1.0 1.8 2.96 42 42 A 17 VAL HA A 28 CYS HA 1.0 1.8 3.21 43 43 A 25 PHE HA A 8 LYS HA 1.0 1.8 3.08 44 44 A 20 THR HA A 27 TYR H 1.0 1.8 3.02 45 45 A 21 CYS H A 26 LEU HA 1.0 1.8 3.61 46 46 A 7 ARG H A 27 TYR HA 1.0 1.8 4.20 47 47 A 21 CYS H A 25 PHE HBx 1.0 1.8 4.72 48 48 A 5 TYR HA A 6 CYS HA 1.0 1.8 4.17 49 49 A 28 CYS H A 27 TYR HA 1.0 1.8 2.56 50 50 A 27 TYR HD% A 18 ARG HGx 1.0 1.8 7.31 51 50 A 18 ARG HGy A 27 TYR HD% 1.0 1.8 7.31 52 51 A 5 TYR HD% A 7 ARG HBx 1.0 1.8 6.93 53 52 A 5 TYR HE% A 7 ARG HBx 1.0 1.8 6.55 54 53 A 5 TYR HD% A 7 ARG HBy 1.0 1.8 6.93 55 54 A 5 TYR HE% A 7 ARG HBy 1.0 1.8 6.55 56 55 A 29 CYS HBx A 30 PRO HDx 1.0 1.8 4.38 57 56 A 5 TYR HE% A 7 ARG HDy 1.0 1.8 6.49 58 57 A 5 TYR HE% A 7 ARG HDx 1.0 1.8 6.49 59 58 A 5 TYR HA A 7 ARG HDy 1.0 1.8 5.28 60 59 A 5 TYR HA A 7 ARG HDx 1.0 1.8 5.28 61 60 A 5 TYR HE% A 30 PRO HDy 1.0 1.8 7.63 62 61 A 5 TYR HE% A 12 LYS HGx 1.0 1.8 7.63 63 62 A 4 CYS HA A 5 TYR HD% 1.0 1.8 6.77 64 63 A 19 GLY H A 27 TYR HBx 1.0 1.8 5.34 65 64 A 8 LYS HBx A 25 PHE HE% 1.0 1.8 6.94 66 65 A 8 LYS HBx A 25 PHE HZ 1.0 1.8 4.48 67 66 A 8 LYS HBy A 25 PHE HZ 1.0 1.8 5.00 68 67 A 8 LYS HBy A 25 PHE HE% 1.0 1.8 7.37 69 68 A 8 LYS HA A 25 PHE HD% 1.0 1.8 7.31 70 69 A 29 CYS H A 16 ARG HGx 1.0 1.8 5.94 71 69 A 29 CYS H A 16 ARG HGy 1.0 1.8 5.94 72 70 A 27 TYR HD% A 6 CYS HBy 1.0 1.8 7.64 73 71 A 27 TYR HD% A 18 ARG HBx 1.0 1.8 8.14 74 71 A 27 TYR HD% A 18 ARG HBy 1.0 1.8 8.14 75 72 A 4 CYS HBx A 27 TYR HE% 1.0 1.8 6.86 76 73 A 4 CYS HBy A 27 TYR HE% 1.0 1.8 6.95 77 74 A 29 CYS HA A 30 PRO HDy 1.0 1.8 2.71 78 75 A 29 CYS HA A 30 PRO HDx 1.0 1.8 2.71 79 76 A 29 CYS HBx A 30 PRO HDy 1.0 1.8 4.38 80 77 A 7 ARG HDy A 12 LYS HGx 1.0 1.8 5.50 81 78 A 12 LYS HGx A 7 ARG HDx 1.0 1.8 5.50 82 79 A 27 TYR HBy A 21 CYS HBx 1.0 1.8 6.25 83 79 A 21 CYS HBy A 27 TYR HBy 1.0 1.8 6.25 84 80 A 29 CYS HBy A 18 ARG HGx 1.0 1.8 4.61 85 80 A 18 ARG HGy A 29 CYS HBy 1.0 1.8 4.61 86 81 A 21 CYS H A 20 THR HG2% 1.0 1.8 5.69 87 82 A 18 ARG H A 17 VAL HGy% 1.0 1.8 6.53 88 83 A 27 TYR H A 17 VAL HGy% 1.0 1.8 6.47 89 84 A 10 HIS HA A 26 LEU HDy% 1.0 1.8 5.57 90 85 A 10 HIS HA A 26 LEU HDx% 1.0 1.8 5.57 91 86 A 23 ILE H A 22 GLY HAx 1.0 1.8 3.08 92 87 A 23 ILE H A 22 GLY HAy 1.0 1.8 3.08 93 88 A 22 GLY H A 21 CYS HBx 1.0 1.8 4.55 94 88 A 21 CYS HBy A 22 GLY H 1.0 1.8 4.55 95 89 A 22 GLY H A 21 CYS HA 1.0 1.8 2.77 96 90 A 20 THR H A 19 GLY HAy 1.0 1.8 2.87 97 91 A 20 THR H A 19 GLY HAx 1.0 1.8 2.87 98 92 A 12 LYS HA A 13 ARG H 1.0 1.8 2.83 99 93 A 11 CYS HA A 12 LYS H 1.0 1.8 2.74 100 94 A 4 CYS H A 3 LEU H 1.0 1.8 5.50 101 95 A 10 HIS HA A 11 CYS H 1.0 1.8 2.90 102 96 A 12 LYS H A 11 CYS HBx 1.0 1.8 2.90 103 97 A 8 LYS H A 7 ARG HBx 1.0 1.8 5.50 104 98 A 8 LYS H A 7 ARG HBy 1.0 1.8 5.50 105 99 A 24 ARG H A 23 ILE HA 1.0 1.8 2.71 106 100 A 4 CYS H A 3 LEU HBx 1.0 1.8 6.38 107 100 A 4 CYS H A 3 LEU HBy 1.0 1.8 6.38 108 101 A 5 TYR H A 28 CYS HA 1.0 1.8 5.50 109 102 A 6 CYS HA A 21 CYS HA 1.0 1.8 5.50 110 103 A 19 GLY H A 18 ARG HGx 1.0 1.8 6.38 111 103 A 19 GLY H A 18 ARG HGy 1.0 1.8 6.38 112 104 A 9 GLY H A 8 LYS HEx 1.0 1.8 6.38 113 104 A 9 GLY H A 8 LYS HEy 1.0 1.8 6.38 114 105 A 8 LYS H A 7 ARG HGx 1.0 1.8 6.38 115 105 A 8 LYS H A 7 ARG HGy 1.0 1.8 6.38 116 106 A 27 TYR H A 26 LEU HG 1.0 1.8 5.50 117 107 A 9 GLY H A 8 LYS HGx 1.0 1.8 6.38 118 107 A 9 GLY H A 8 LYS HGy 1.0 1.8 6.38 119 108 A 5 TYR HD% A 7 ARG HGx 1.0 1.8 8.52 120 108 A 5 TYR HD% A 7 ARG HGy 1.0 1.8 8.52 121 109 A 5 TYR HE% A 7 ARG HGx 1.0 1.8 8.51 122 109 A 5 TYR HE% A 7 ARG HGy 1.0 1.8 8.51 123 110 A 5 TYR HD% A 7 ARG HDx 1.0 1.8 7.64 124 111 A 5 TYR HD% A 7 ARG HDy 1.0 1.8 7.64 125 112 A 5 TYR HE% A 7 ARG HA 1.0 1.8 7.63 126 113 A 5 TYR HE% A 12 LYS HEx 1.0 1.8 8.51 127 113 A 5 TYR HE% A 12 LYS HEy 1.0 1.8 8.51 128 114 A 28 CYS HBx A 5 TYR HE% 1.0 1.8 7.63 129 115 A 6 CYS HA A 27 TYR HD% 1.0 1.8 7.64 130 116 A 28 CYS H A 27 TYR HD% 1.0 1.8 7.64 131 117 A 7 ARG H A 25 PHE HD% 1.0 1.8 7.62 132 118 A 26 LEU H A 25 PHE HD% 1.0 1.8 7.62 133 119 A 25 PHE HD% A 8 LYS HGx 1.0 1.8 8.50 134 119 A 25 PHE HD% A 8 LYS HGy 1.0 1.8 8.50 135 120 A 8 LYS HBy A 25 PHE HD% 1.0 1.8 7.62 136 121 A 8 LYS HBx A 25 PHE HD% 1.0 1.8 7.62 137 122 A 25 PHE HD% A 24 ARG HBx 1.0 1.8 8.50 138 122 A 25 PHE HD% A 24 ARG HBy 1.0 1.8 8.50 139 123 A 19 GLY H A 27 TYR HBy 1.0 1.8 5.50 140 124 A 8 LYS HA A 25 PHE HE% 1.0 1.8 7.62 141 125 A 8 LYS HA A 25 PHE HZ 1.0 1.8 5.50 142 126 A 25 PHE HE% A 8 LYS HEx 1.0 1.8 8.50 143 126 A 25 PHE HE% A 8 LYS HEy 1.0 1.8 8.50 144 127 A 25 PHE HZ A 8 LYS HEx 1.0 1.8 6.38 145 127 A 25 PHE HZ A 8 LYS HEy 1.0 1.8 6.38 146 128 A 25 PHE HE% A 24 ARG HBx 1.0 1.8 8.50 147 128 A 25 PHE HE% A 24 ARG HBy 1.0 1.8 8.50 148 129 A 25 PHE HZ A 24 ARG HBx 1.0 1.8 6.38 149 129 A 25 PHE HZ A 24 ARG HBy 1.0 1.8 6.38 150 130 A 25 PHE HE% A 8 LYS HGx 1.0 1.8 8.50 151 130 A 25 PHE HE% A 8 LYS HGy 1.0 1.8 8.50 152 131 A 25 PHE HZ A 8 LYS HGx 1.0 1.8 6.38 153 131 A 25 PHE HZ A 8 LYS HGy 1.0 1.8 6.38 154 132 A 17 VAL H A 16 ARG HGx 1.0 1.8 6.38 155 132 A 17 VAL H A 16 ARG HGy 1.0 1.8 6.38 156 133 A 29 CYS H A 16 ARG HBx 1.0 1.8 6.38 157 133 A 29 CYS H A 16 ARG HBy 1.0 1.8 6.38 158 134 A 5 TYR HE% A 12 LYS HGy 1.0 1.8 7.63 159 135 A 27 TYR HD% A 21 CYS HBx 1.0 1.8 8.52 160 135 A 27 TYR HD% A 21 CYS HBy 1.0 1.8 8.52 161 136 A 4 CYS HBx A 27 TYR HD% 1.0 1.8 7.64 162 137 A 27 TYR HE% A 18 ARG HBx 1.0 1.8 8.51 163 137 A 18 ARG HBy A 27 TYR HE% 1.0 1.8 8.51 164 138 A 27 TYR HE% A 18 ARG HGx 1.0 1.8 8.51 165 138 A 18 ARG HGy A 27 TYR HE% 1.0 1.8 8.51 166 139 A 27 TYR HE% A 18 ARG HDx 1.0 1.8 8.51 167 139 A 27 TYR HE% A 18 ARG HDy 1.0 1.8 8.51 168 140 A 27 TYR HE% A 21 CYS HBx 1.0 1.8 8.51 169 140 A 27 TYR HE% A 21 CYS HBy 1.0 1.8 8.51 170 141 A 27 TYR HD% A 18 ARG HDx 1.0 1.8 8.52 171 141 A 27 TYR HD% A 18 ARG HDy 1.0 1.8 8.52 172 142 A 4 CYS HBy A 27 TYR HD% 1.0 1.8 7.64 173 143 A 25 PHE HD% A 21 CYS HBx 1.0 1.8 8.50 174 143 A 25 PHE HD% A 21 CYS HBy 1.0 1.8 8.50 175 144 A 6 CYS HA A 21 CYS HBx 1.0 1.8 6.38 176 144 A 6 CYS HA A 21 CYS HBy 1.0 1.8 6.38 177 145 A 25 PHE HD% A 22 GLY HAx 1.0 1.8 7.62 178 146 A 25 PHE HD% A 7 ARG HA 1.0 1.8 7.62 179 147 A 27 TYR HD% A 19 GLY HAx 1.0 1.8 7.64 180 148 A 27 TYR HD% A 6 CYS HBx 1.0 1.8 7.64 181 149 A 7 ARG HDy A 12 LYS HGy 1.0 1.8 5.50 182 150 A 7 ARG HDx A 12 LYS HGy 1.0 1.8 5.50 183 151 A 28 CYS HBx A 18 ARG HDx 1.0 1.8 6.38 184 151 A 28 CYS HBx A 18 ARG HDy 1.0 1.8 6.38 185 152 A 9 GLY HAy A 8 LYS HGx 1.0 1.8 6.38 186 152 A 8 LYS HGy A 9 GLY HAy 1.0 1.8 6.38 187 153 A 5 TYR H A 27 TYR HD% 1.0 1.8 7.64 188 154 A 21 CYS H A 27 TYR HBy 1.0 1.8 5.50 189 155 A 25 PHE HD% A 22 GLY HAy 1.0 1.8 7.62 190 156 A 27 TYR HD% A 19 GLY HAy 1.0 1.8 7.64 191 157 A 7 ARG H A 5 TYR HD% 1.0 1.8 7.64 192 158 A 4 CYS HA A 5 TYR HE% 1.0 1.8 7.63 193 159 A 5 TYR HD% A 12 LYS HEx 1.0 1.8 8.52 194 159 A 5 TYR HD% A 12 LYS HEy 1.0 1.8 8.52 195 160 A 5 TYR HE% A 28 CYS HBy 1.0 1.8 7.63 196 161 A 5 TYR HE% A 30 PRO HDx 1.0 1.8 7.63 197 162 A 5 TYR HE% A 30 PRO HBx 1.0 1.8 8.51 198 162 A 5 TYR HE% A 30 PRO HBy 1.0 1.8 8.51 199 163 A 9 GLY HAx A 8 LYS HGx 1.0 1.8 6.38 200 163 A 8 LYS HGy A 9 GLY HAx 1.0 1.8 6.38 201 164 A 18 ARG H A 17 VAL HGx% 1.0 1.8 6.53 202 165 A 24 ARG H A 23 ILE HD1% 1.0 1.8 6.40 203 166 A 19 GLY H A 17 VAL HGx% 1.0 1.8 5.29 204 167 A 27 TYR H A 17 VAL HGx% 1.0 1.8 6.47 205 168 A 19 GLY H A 17 VAL HGy% 1.0 1.8 5.29 206 169 A 5 TYR H A 30 PRO HDx 1.0 1.8 6.38 207 169 A 5 TYR H A 30 PRO HDy 1.0 1.8 6.38 208 170 A 5 TYR HD% A 7 ARG HBx 1.0 1.8 6.23 209 170 A 5 TYR HD% A 7 ARG HBy 1.0 1.8 6.23 210 171 A 5 TYR HD% A 30 PRO HGy 1.0 1.8 8.52 211 171 A 5 TYR HD% A 30 PRO HGx 1.0 1.8 8.52 212 172 A 5 TYR HD% A 30 PRO HDx 1.0 1.8 8.52 213 172 A 5 TYR HD% A 30 PRO HDy 1.0 1.8 8.52 214 173 A 5 TYR HE% A 7 ARG HBx 1.0 1.8 6.15 215 173 A 5 TYR HE% A 7 ARG HBy 1.0 1.8 6.15 216 174 A 5 TYR HE% A 7 ARG HDx 1.0 1.8 6.35 217 174 A 5 TYR HE% A 7 ARG HDy 1.0 1.8 6.35 218 175 A 5 TYR HE% A 12 LYS HBy 1.0 1.8 8.45 219 175 A 5 TYR HE% A 12 LYS HBx 1.0 1.8 8.45 220 176 A 5 TYR HE% A 12 LYS HGy 1.0 1.8 7.20 221 176 A 5 TYR HE% A 12 LYS HGx 1.0 1.8 7.20 222 177 A 5 TYR HE% A 30 PRO HGy 1.0 1.8 8.51 223 177 A 5 TYR HE% A 30 PRO HGx 1.0 1.8 8.51 224 178 A 5 TYR HE% A 30 PRO HDx 1.0 1.8 7.41 225 178 A 5 TYR HE% A 30 PRO HDy 1.0 1.8 7.41 226 179 A 7 ARG H A 6 CYS HBy 1.0 1.8 3.74 227 179 A 7 ARG H A 6 CYS HBx 1.0 1.8 3.74 228 180 A 27 TYR HD% A 6 CYS HBy 1.0 1.8 7.42 229 180 A 27 TYR HD% A 6 CYS HBx 1.0 1.8 7.42 230 181 A 27 TYR HE% A 6 CYS HBy 1.0 1.8 8.51 231 181 A 27 TYR HE% A 6 CYS HBx 1.0 1.8 8.51 232 182 A 7 ARG HDx A 12 LYS HGy 1.0 1.8 5.01 233 182 A 7 ARG HDy A 12 LYS HGy 1.0 1.8 5.01 234 182 A 12 LYS HGx A 7 ARG HDx 1.0 1.8 5.01 235 182 A 7 ARG HDy A 12 LYS HGx 1.0 1.8 5.01 236 183 A 10 HIS HA A 26 LEU HDy% 1.0 1.8 4.68 237 183 A 10 HIS HA A 26 LEU HDx% 1.0 1.8 4.68 238 184 A 11 CYS HBy A 15 GLY HAy 1.0 1.8 4.45 239 184 A 11 CYS HBy A 15 GLY HAx 1.0 1.8 4.45 240 185 A 16 ARG H A 15 GLY HAy 1.0 1.8 3.23 241 185 A 16 ARG H A 15 GLY HAx 1.0 1.8 3.23 242 186 A 16 ARG HA A 15 GLY HAy 1.0 1.8 4.80 243 186 A 16 ARG HA A 15 GLY HAx 1.0 1.8 4.80 244 187 A 28 CYS HBx A 15 GLY HAy 1.0 1.8 6.38 245 187 A 28 CYS HBx A 15 GLY HAx 1.0 1.8 6.38 246 188 A 18 ARG H A 17 VAL HGy% 1.0 1.8 5.66 247 188 A 18 ARG H A 17 VAL HGx% 1.0 1.8 5.66 248 189 A 19 GLY H A 17 VAL HGy% 1.0 1.8 4.47 249 189 A 19 GLY H A 17 VAL HGx% 1.0 1.8 4.47 250 190 A 27 TYR H A 17 VAL HGy% 1.0 1.8 5.92 251 190 A 27 TYR H A 17 VAL HGx% 1.0 1.8 5.92 252 191 A 20 THR H A 19 GLY HAy 1.0 1.8 2.62 253 191 A 20 THR H A 19 GLY HAx 1.0 1.8 2.62 254 192 A 27 TYR HBy A 19 GLY HAy 1.0 1.8 6.38 255 192 A 27 TYR HBy A 19 GLY HAx 1.0 1.8 6.38 256 193 A 27 TYR HBx A 19 GLY HAy 1.0 1.8 6.04 257 193 A 27 TYR HBx A 19 GLY HAx 1.0 1.8 6.04 258 194 A 21 CYS H A 26 LEU HDy% 1.0 1.8 8.10 259 194 A 21 CYS H A 26 LEU HDx% 1.0 1.8 8.10 260 195 A 23 ILE H A 22 GLY HAy 1.0 1.8 2.74 261 195 A 23 ILE H A 22 GLY HAx 1.0 1.8 2.74 262 196 A 27 TYR H A 26 LEU HDy% 1.0 1.8 7.57 263 196 A 27 TYR H A 26 LEU HDx% 1.0 1.8 7.57 264 197 A 29 CYS HA A 30 PRO HDx 1.0 1.8 2.45 265 197 A 29 CYS HA A 30 PRO HDy 1.0 1.8 2.45 266 198 A 29 CYS HBy A 30 PRO HDx 1.0 1.8 5.69 267 198 A 29 CYS HBy A 30 PRO HDy 1.0 1.8 5.69 268 199 A 29 CYS HBx A 30 PRO HDx 1.0 1.8 3.71 269 199 A 29 CYS HBx A 30 PRO HDy 1.0 1.8 3.71 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 5 TYR H A 28 CYS O 1.0 1.2 2.3 2 2 A 28 CYS O A 5 TYR N 1.0 1.8 3.3 3 3 A 28 CYS H A 5 TYR O 1.0 1.2 2.3 4 4 A 5 TYR O A 28 CYS N 1.0 1.8 3.0 5 5 A 26 LEU H A 7 ARG O 1.0 1.2 2.3 6 6 A 7 ARG O A 26 LEU N 1.0 1.8 3.3 7 7 A 29 CYS H A 16 ARG O 1.0 1.2 2.3 8 8 A 16 ARG O A 29 CYS N 1.0 1.8 3.3 9 9 A 19 GLY H A 27 TYR O 1.0 1.2 2.3 10 10 A 27 TYR O A 19 GLY N 1.0 1.8 3.0 11 11 A 27 TYR H A 19 GLY O 1.0 1.2 2.3 12 12 A 19 GLY O A 27 TYR N 1.0 1.8 3.3 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 LEU C A 3 LEU N A 3 LEU CA A 3 LEU C 1.0 -180.0 -20.0 PHI 2 2 A 3 LEU C A 4 CYS N A 4 CYS CA A 4 CYS C 1.0 -180.0 -20.0 PHI 3 3 A 4 CYS C A 5 TYR N A 5 TYR CA A 5 TYR C 1.0 -180.0 -20.0 PHI 4 4 A 5 TYR C A 6 CYS N A 6 CYS CA A 6 CYS C 1.0 -180.0 -20.0 PHI 5 5 A 6 CYS C A 7 ARG N A 7 ARG CA A 7 ARG C 1.0 -150.0 -90.0 PHI 6 6 A 7 ARG C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -180.0 -20.0 PHI 7 7 A 9 GLY C A 10 HIS N A 10 HIS CA A 10 HIS C 1.0 -180.0 -20.0 PHI 8 8 A 11 CYS C A 12 LYS N A 12 LYS CA A 12 LYS C 1.0 -180.0 -20.0 PHI 9 9 A 15 GLY C A 16 ARG N A 16 ARG CA A 16 ARG C 1.0 -150.0 -90.0 PHI 10 10 A 16 ARG C A 17 VAL N A 17 VAL CA A 17 VAL C 1.0 -180.0 -20.0 PHI 11 11 A 17 VAL C A 18 ARG N A 18 ARG CA A 18 ARG C 1.0 -150.0 -90.0 PHI 12 12 A 19 GLY C A 20 THR N A 20 THR CA A 20 THR C 1.0 -180.0 -20.0 PHI 13 13 A 20 THR C A 21 CYS N A 21 CYS CA A 21 CYS C 1.0 -150.0 -90.0 PHI 14 14 A 22 GLY C A 23 ILE N A 23 ILE CA A 23 ILE C 1.0 -180.0 -20.0 PHI 15 15 A 24 ARG C A 25 PHE N A 25 PHE CA A 25 PHE C 1.0 -150.0 -90.0 PHI 16 16 A 25 PHE C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -150.0 -90.0 PHI 17 17 A 26 LEU C A 27 TYR N A 27 TYR CA A 27 TYR C 1.0 -150.0 -90.0 PHI 18 18 A 27 TYR C A 28 CYS N A 28 CYS CA A 28 CYS C 1.0 -150.0 -90.0 PHI 19 19 A 28 CYS C A 29 CYS N A 29 CYS CA A 29 CYS C 1.0 -150.0 -90.0 PHI 20 20 A 30 PRO C A 31 ARG N A 31 ARG CA A 31 ARG C 1.0 -180.0 -20.0 PHI 21 21 A 4 CYS N A 4 CYS CA A 4 CYS CB A 4 CYS SG 1.0 -90.0 -30.0 CHI1 22 22 A 5 TYR N A 5 TYR CA A 5 TYR CB A 5 TYR CG 1.0 30.0 90.0 CHI1 23 23 A 8 LYS N A 8 LYS CA A 8 LYS CB A 8 LYS CG 1.0 -210.0 -150.0 CHI1 24 24 A 6 CYS N A 6 CYS CA A 6 CYS CB A 6 CYS SG 1.0 30.0 210.0 CHI1 25 25 A 11 CYS N A 11 CYS CA A 11 CYS CB A 11 CYS SG 1.0 -90.0 -30.0 CHI1 26 26 A 26 LEU N A 26 LEU CA A 26 LEU CB A 26 LEU CG 1.0 -90.0 -30.0 CHI1 27 27 A 27 TYR N A 27 TYR CA A 27 TYR CB A 27 TYR CG 1.0 -210.0 -150.0 CHI1 28 28 A 28 CYS N A 28 CYS CA A 28 CYS CB A 28 CYS SG 1.0 -90.0 -30.0 CHI1 29 29 A 29 CYS N A 29 CYS CA A 29 CYS CB A 29 CYS SG 1.0 -90.0 -30.0 CHI1 stop_ save_