data_nef_c17908_2lix 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 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 2 CYS SG 1 19 CYS SG 1 8 CYS SG 1 24 CYS SG 1 12 CYS SG 1 26 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 ALA start . . 2 A 2 CYS middle -HG . 3 A 3 VAL middle . . 4 A 4 THR middle . . 5 A 5 HIS middle . . 6 A 6 GLU middle . . 7 A 7 ASP middle . . 8 A 8 CYS middle -HG . 9 A 9 THR middle . . 10 A 10 LEU middle . . 11 A 11 LEU middle . . 12 A 12 CYS middle -HG . 13 A 13 TYR middle . . 14 A 14 ASP middle . . 15 A 15 THR middle . . 16 A 16 ILE middle . . 17 A 17 GLY middle . false 18 A 18 THR middle . . 19 A 19 CYS middle -HG . 20 A 20 VAL middle . . 21 A 21 ASP middle . . 22 A 22 GLY middle . false 23 A 23 LYS middle . . 24 A 24 CYS middle -HG . 25 A 25 LYS middle . . 26 A 26 CYS middle -HG . 27 A 27 MET 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 1 ALA H1 H 1 8.243 0.000 A 1 ALA HA H 1 4.632 0.001 A 1 ALA HB% H 1 1.369 0.002 A 2 CYS H H 1 7.866 0.000 A 2 CYS HA H 1 4.724 0.000 A 2 CYS HBx H 1 2.914 0.000 A 2 CYS HBy H 1 3.202 0.003 A 3 VAL H H 1 9.431 0.003 A 3 VAL HA H 1 4.013 0.001 A 3 VAL HB H 1 2.013 0.003 A 3 VAL HG1% H 1 0.870 0.000 A 3 VAL HG2% H 1 0.870 0.000 A 4 THR H H 1 7.982 0.001 A 4 THR HA H 1 4.623 0.000 A 4 THR HB H 1 4.388 0.002 A 4 THR HG2% H 1 1.114 0.000 A 5 HIS H H 1 8.195 0.002 A 5 HIS HA H 1 4.182 0.003 A 5 HIS HBx H 1 3.143 0.060 A 5 HIS HBy H 1 3.292 0.048 A 5 HIS HD1 H 1 7.192 0.003 A 6 GLU H H 1 8.521 0.001 A 6 GLU HA H 1 4.003 0.001 A 6 GLU HBx H 1 1.881 0.005 A 6 GLU HBy H 1 1.947 0.000 A 6 GLU HGx H 1 2.165 0.003 A 6 GLU HGy H 1 2.322 0.002 A 7 ASP H H 1 7.563 0.001 A 7 ASP HA H 1 4.450 0.000 A 7 ASP HBy H 1 3.007 0.002 A 7 ASP HBx H 1 2.825 0.002 A 8 CYS H H 1 7.880 0.002 A 8 CYS HA H 1 4.806 0.000 A 8 CYS HBx H 1 2.593 0.004 A 8 CYS HBy H 1 3.020 0.004 A 9 THR H H 1 7.657 0.001 A 9 THR HA H 1 3.881 0.001 A 9 THR HB H 1 4.125 0.001 A 9 THR HG2% H 1 1.216 0.000 A 10 LEU H H 1 7.974 0.002 A 10 LEU HA H 1 4.185 0.000 A 10 LEU HBx H 1 1.533 0.002 A 10 LEU HBy H 1 1.646 0.002 A 10 LEU HD1% H 1 0.807 0.003 A 10 LEU HD2% H 1 0.865 0.009 A 10 LEU HG H 1 1.584 0.002 A 11 LEU H H 1 7.435 0.002 A 11 LEU HA H 1 4.181 0.005 A 11 LEU HBx H 1 1.645 0.002 A 11 LEU HBy H 1 1.645 0.002 A 11 LEU HD1% H 1 0.802 0.000 A 11 LEU HD2% H 1 0.880 0.000 A 11 LEU HG H 1 1.576 0.004 A 12 CYS H H 1 7.868 0.001 A 12 CYS HA H 1 4.279 0.003 A 12 CYS HBx H 1 2.957 0.003 A 12 CYS HBy H 1 3.017 0.001 A 13 TYR H H 1 8.567 0.001 A 13 TYR HA H 1 4.368 0.001 A 13 TYR HBy H 1 2.609 0.000 A 13 TYR HBx H 1 2.559 0.002 A 13 TYR HDx H 1 7.058 0.002 A 13 TYR HDy H 1 7.058 0.002 A 14 ASP H H 1 7.421 0.001 A 14 ASP HA H 1 4.824 0.007 A 14 ASP HBx H 1 2.406 0.001 A 14 ASP HBy H 1 3.142 0.003 A 15 THR H H 1 8.561 0.002 A 15 THR HA H 1 4.461 0.002 A 15 THR HB H 1 3.784 0.005 A 15 THR HG2% H 1 0.891 0.001 A 16 ILE H H 1 8.442 0.002 A 16 ILE HA H 1 4.175 0.000 A 16 ILE HB H 1 1.724 0.001 A 16 ILE HD1% H 1 0.731 0.003 A 16 ILE HG1x H 1 1.053 0.000 A 16 ILE HG1y H 1 1.389 0.000 A 16 ILE HG2% H 1 0.733 0.003 A 18 THR H H 1 7.432 0.001 A 18 THR HA H 1 4.460 0.000 A 18 THR HB H 1 4.177 0.005 A 18 THR HG2% H 1 1.054 0.002 A 19 CYS H H 1 8.590 0.002 A 19 CYS HA H 1 4.837 0.001 A 19 CYS HBx H 1 3.239 0.000 A 19 CYS HBy H 1 3.239 0.000 A 20 VAL H H 1 8.966 0.001 A 20 VAL HA H 1 4.155 0.000 A 20 VAL HB H 1 1.880 0.004 A 20 VAL HG1% H 1 0.810 0.003 A 20 VAL HG2% H 1 0.810 0.003 A 21 ASP H H 1 9.233 0.002 A 21 ASP HA H 1 4.197 0.002 A 21 ASP HBx H 1 2.558 0.000 A 21 ASP HBy H 1 2.896 0.002 A 22 GLY H H 1 7.878 0.000 A 22 GLY HAx H 1 3.921 0.000 A 22 GLY HAy H 1 4.039 0.006 A 23 LYS H H 1 7.758 0.002 A 23 LYS HA H 1 4.836 0.000 A 23 LYS HBx H 1 1.666 0.003 A 23 LYS HBy H 1 1.666 0.003 A 23 LYS HDx H 1 1.572 0.000 A 23 LYS HDy H 1 1.572 0.000 A 23 LYS HEx H 1 2.955 0.000 A 23 LYS HEy H 1 2.955 0.000 A 23 LYS HGx H 1 1.344 0.000 A 23 LYS HGy H 1 1.344 0.000 A 24 CYS H H 1 8.644 0.001 A 24 CYS HA H 1 5.040 0.000 A 24 CYS HBy H 1 2.651 0.001 A 24 CYS HBx H 1 2.569 0.001 A 25 LYS H H 1 9.542 0.002 A 25 LYS HA H 1 4.511 0.000 A 25 LYS HBx H 1 1.605 0.003 A 25 LYS HBy H 1 1.774 0.000 A 25 LYS HDx H 1 1.338 0.000 A 25 LYS HDy H 1 1.338 0.000 A 25 LYS HEx H 1 2.885 0.001 A 25 LYS HEy H 1 2.885 0.001 A 25 LYS HGx H 1 1.241 0.005 A 25 LYS HGy H 1 1.241 0.005 A 26 CYS H H 1 8.747 0.002 A 26 CYS HA H 1 5.162 0.000 A 26 CYS HBx H 1 2.562 0.003 A 26 CYS HBy H 1 3.335 0.004 A 27 MET H H 1 8.572 0.001 A 27 MET HA H 1 4.289 0.002 A 27 MET HBx H 1 1.877 0.000 A 27 MET HBy H 1 2.050 0.000 A 27 MET HGx H 1 2.387 0.003 A 27 MET HGy H 1 2.437 0.000 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 6 GLU H A 6 GLU HBx 1.0 . 2.86 2 2 A 6 GLU H A 6 GLU HBy 1.0 . 3.27 3 3 A 6 GLU H A 6 GLU HA 1.0 . 3.05 4 4 A 6 GLU HBx A 6 GLU HA 1.0 . 2.93 5 5 A 6 GLU HBy A 6 GLU HA 1.0 . 3.21 6 6 A 27 MET H A 27 MET HBx 1.0 . 3.48 7 7 A 27 MET H A 27 MET HBy 1.0 . 3.98 8 8 A 27 MET HBy A 27 MET HA 1.0 . 3.76 9 9 A 27 MET HBx A 27 MET HA 1.0 . 3.58 10 10 A 25 LYS H A 25 LYS HA 1.0 . 3.61 11 11 A 25 LYS H A 25 LYS HBy 1.0 . 3.61 12 12 A 25 LYS H A 25 LYS HBx 1.0 . 3.58 13 13 A 25 LYS HA A 25 LYS HBy 1.0 . 3.61 14 14 A 25 LYS HA A 25 LYS HBx 1.0 . 3.52 15 15 A 26 CYS H A 26 CYS HBx 1.0 . 3.08 16 16 A 26 CYS H A 26 CYS HBy 1.0 . 3.86 17 17 A 26 CYS H A 26 CYS HA 1.0 . 4.08 18 18 A 26 CYS HBy A 26 CYS HA 1.0 . 3.05 19 19 A 26 CYS HBx A 26 CYS HA 1.0 . 3.61 20 20 A 23 LYS H A 23 LYS HBx 1.0 . 4.21 21 20 A 23 LYS H A 23 LYS HBy 1.0 . 4.21 22 21 A 23 LYS H A 23 LYS HA 1.0 . 3.11 23 22 A 23 LYS HA A 23 LYS HBx 1.0 . 4.33 24 22 A 23 LYS HBy A 23 LYS HA 1.0 . 4.33 25 23 A 24 CYS H A 24 CYS HBx 1.0 . 3.24 26 24 A 24 CYS H A 24 CYS HBy 1.0 . 2.68 27 25 A 24 CYS H A 24 CYS HA 1.0 . 3.27 28 26 A 24 CYS HBy A 24 CYS HA 1.0 . 3.27 29 27 A 24 CYS HBx A 24 CYS HA 1.0 . 3.05 30 28 A 22 GLY H A 22 GLY HAx 1.0 . 3.36 31 29 A 22 GLY H A 22 GLY HAy 1.0 . 3.86 32 30 A 22 GLY HAx A 22 GLY HAy 1.0 . 2.40 33 31 A 3 VAL H A 3 VAL HB 1.0 . 3.39 34 32 A 3 VAL H A 3 VAL HA 1.0 . 5.50 35 33 A 4 THR H A 4 THR HA 1.0 . 3.36 36 34 A 4 THR H A 4 THR HB 1.0 . 4.26 37 35 A 20 VAL H A 20 VAL HA 1.0 . 3.27 38 36 A 20 VAL H A 20 VAL HB 1.0 . 3.33 39 37 A 20 VAL HA A 20 VAL HB 1.0 . 3.08 40 38 A 21 ASP H A 21 ASP HBx 1.0 . 3.76 41 39 A 21 ASP H A 21 ASP HBy 1.0 . 4.01 42 40 A 21 ASP H A 21 ASP HA 1.0 . 3.02 43 41 A 21 ASP HBy A 21 ASP HA 1.0 . 2.71 44 42 A 21 ASP HBx A 21 ASP HA 1.0 . 5.50 45 43 A 1 ALA H1 A 1 ALA HA 1.0 . 3.52 46 44 A 2 CYS H A 2 CYS HA 1.0 . 3.76 47 45 A 2 CYS H A 2 CYS HBx 1.0 . 4.08 48 46 A 2 CYS H A 2 CYS HBy 1.0 . 4.26 49 47 A 2 CYS HA A 2 CYS HBy 1.0 . 3.64 50 48 A 2 CYS HA A 2 CYS HBx 1.0 . 3.48 51 49 A 15 THR H A 15 THR HA 1.0 . 3.52 52 50 A 15 THR H A 15 THR HB 1.0 . 3.45 53 51 A 15 THR HA A 15 THR HB 1.0 . 3.64 54 52 A 11 LEU H A 11 LEU HA 1.0 . 3.71 55 53 A 11 LEU H A 11 LEU HBx 1.0 . 4.62 56 53 A 11 LEU H A 11 LEU HBy 1.0 . 4.62 57 54 A 11 LEU HA A 11 LEU HBx 1.0 . 5.46 58 54 A 11 LEU HA A 11 LEU HBy 1.0 . 5.46 59 55 A 16 ILE H A 16 ILE HA 1.0 . 2.90 60 56 A 16 ILE H A 16 ILE HB 1.0 . 3.24 61 57 A 13 TYR H A 13 TYR HBx 1.0 . 4.04 62 58 A 13 TYR H A 13 TYR HBy 1.0 . 3.70 63 59 A 13 TYR H A 13 TYR HA 1.0 . 2.86 64 60 A 13 TYR HBy A 13 TYR HA 1.0 . 3.02 65 61 A 13 TYR HBx A 13 TYR HA 1.0 . 3.05 66 62 A 8 CYS H A 8 CYS HBx 1.0 . 3.02 67 63 A 8 CYS H A 8 CYS HBy 1.0 . 4.11 68 64 A 8 CYS H A 8 CYS HA 1.0 . 4.08 69 65 A 8 CYS HBy A 8 CYS HA 1.0 . 2.96 70 66 A 8 CYS HBx A 8 CYS HA 1.0 . 3.70 71 67 A 10 LEU H A 10 LEU HBy 1.0 . 3.08 72 68 A 10 LEU H A 10 LEU HBx 1.0 . 4.14 73 69 A 10 LEU H A 10 LEU HA 1.0 . 3.21 74 70 A 10 LEU HBy A 10 LEU HA 1.0 . 4.11 75 71 A 10 LEU HBx A 10 LEU HA 1.0 . 3.24 76 72 A 9 THR H A 9 THR HB 1.0 . 3.08 77 73 A 9 THR H A 9 THR HA 1.0 . 3.24 78 74 A 9 THR HB A 9 THR HA 1.0 . 2.99 79 75 A 27 MET H A 27 MET HA 1.0 . 2.80 80 76 A 12 CYS H A 12 CYS HA 1.0 . 3.95 81 77 A 18 THR H A 18 THR HA 1.0 . 3.21 82 78 A 7 ASP H A 7 ASP HBx 1.0 . 3.58 83 79 A 7 ASP H A 7 ASP HBy 1.0 . 2.96 84 80 A 7 ASP H A 7 ASP HA 1.0 . 3.42 85 81 A 7 ASP HBy A 7 ASP HA 1.0 . 3.48 86 82 A 7 ASP HBx A 7 ASP HA 1.0 . 3.02 87 83 A 5 HIS HA A 5 HIS HBy 1.0 . 3.02 88 84 A 5 HIS HA A 5 HIS HBx 1.0 . 3.36 89 85 A 1 ALA HA A 2 CYS H 1.0 . 2.80 90 86 A 3 VAL H A 2 CYS HA 1.0 . 3.45 91 87 A 3 VAL H A 2 CYS HBx 1.0 . 4.17 92 88 A 3 VAL H A 2 CYS HBy 1.0 . 3.55 93 89 A 3 VAL H A 4 THR H 1.0 . 2.55 94 90 A 3 VAL HA A 4 THR H 1.0 . 3.73 95 91 A 3 VAL HB A 4 THR H 1.0 . 3.08 96 92 A 6 GLU H A 5 HIS HBy 1.0 . 3.83 97 93 A 6 GLU H A 5 HIS HBx 1.0 . 3.45 98 94 A 6 GLU HA A 7 ASP H 1.0 . 3.79 99 95 A 6 GLU HBx A 7 ASP H 1.0 . 3.86 100 96 A 6 GLU HBy A 7 ASP H 1.0 . 4.04 101 97 A 6 GLU H A 7 ASP H 1.0 . 3.14 102 98 A 10 LEU H A 9 THR HB 1.0 . 3.39 103 99 A 9 THR HA A 12 CYS H 1.0 . 3.86 104 100 A 11 LEU H A 10 LEU H 1.0 . 3.21 105 101 A 11 LEU H A 8 CYS HA 1.0 . 4.70 106 102 A 15 THR HA A 16 ILE H 1.0 . 3.21 107 103 A 20 VAL HB A 21 ASP H 1.0 . 4.20 108 104 A 20 VAL HA A 21 ASP H 1.0 . 2.99 109 105 A 22 GLY H A 21 ASP H 1.0 . 3.30 110 106 A 22 GLY H A 21 ASP HA 1.0 . 2.96 111 107 A 23 LYS H A 22 GLY HAx 1.0 . 3.67 112 108 A 23 LYS H A 22 GLY HAy 1.0 . 3.73 113 109 A 23 LYS H A 22 GLY H 1.0 . 2.80 114 110 A 23 LYS HA A 24 CYS H 1.0 . 2.43 115 111 A 24 CYS H A 23 LYS HBx 1.0 . 4.33 116 111 A 23 LYS HBy A 24 CYS H 1.0 . 4.33 117 112 A 25 LYS H A 24 CYS HA 1.0 . 2.71 118 113 A 25 LYS H A 24 CYS HBx 1.0 . 3.70 119 114 A 25 LYS HA A 26 CYS H 1.0 . 2.65 120 115 A 25 LYS HBy A 26 CYS H 1.0 . 3.98 121 116 A 25 LYS HBx A 26 CYS H 1.0 . 6.35 122 117 A 27 MET H A 26 CYS HBy 1.0 . 3.95 123 118 A 27 MET H A 26 CYS HA 1.0 . 2.83 124 119 A 4 THR H A 7 ASP HBy 1.0 . 3.52 125 120 A 4 THR H A 2 CYS HBy 1.0 . 3.58 126 121 A 14 ASP H A 14 ASP HBx 1.0 . 3.92 127 122 A 14 ASP H A 14 ASP HBy 1.0 . 3.08 128 123 A 14 ASP H A 14 ASP HA 1.0 . 4.08 129 124 A 14 ASP HBx A 14 ASP HA 1.0 . 3.02 130 125 A 14 ASP HBy A 14 ASP HA 1.0 . 3.61 131 126 A 23 LYS H A 15 THR H 1.0 . 3.36 132 127 A 23 LYS H A 20 VAL H 1.0 . 3.39 133 128 A 6 GLU H A 4 THR HB 1.0 . 3.17 134 129 A 8 CYS H A 7 ASP HA 1.0 . 3.76 135 130 A 6 GLU HA A 9 THR H 1.0 . 3.92 136 131 A 12 CYS HA A 12 CYS HBy 1.0 . 3.14 137 132 A 12 CYS HA A 12 CYS HBx 1.0 . 3.30 138 133 A 12 CYS H A 12 CYS HBx 1.0 . 4.45 139 134 A 12 CYS H A 12 CYS HBy 1.0 . 4.17 140 135 A 13 TYR H A 12 CYS HBx 1.0 . 3.42 141 136 A 13 TYR H A 12 CYS HBy 1.0 . 3.61 142 137 A 6 GLU H A 5 HIS HA 1.0 . 3.79 143 138 A 5 HIS HBx A 5 HIS H 1.0 . 6.45 144 139 A 22 GLY HAx A 2 CYS H 1.0 . 3.55 145 140 A 6 GLU HBx A 3 VAL H 1.0 . 3.95 146 141 A 4 THR HB A 5 HIS H 1.0 . 3.83 147 142 A 6 GLU HA A 8 CYS H 1.0 . 3.98 148 143 A 8 CYS HA A 9 THR H 1.0 . 3.76 149 144 A 19 CYS H A 19 CYS HA 1.0 . 4.08 150 145 A 19 CYS H A 19 CYS HBx 1.0 . 4.33 151 145 A 19 CYS H A 19 CYS HBy 1.0 . 4.33 152 146 A 15 THR H A 14 ASP HA 1.0 . 3.24 153 147 A 18 THR HA A 18 THR HB 1.0 . 3.17 154 148 A 16 ILE HA A 16 ILE HB 1.0 . 3.61 155 149 A 6 GLU HBy A 3 VAL H 1.0 . 6.38 156 150 A 8 CYS HBx A 9 THR H 1.0 . 4.73 157 151 A 8 CYS H A 7 ASP H 1.0 . 3.02 158 152 A 4 THR H A 7 ASP HBx 1.0 . 4.64 159 153 A 18 THR H A 18 THR HB 1.0 . 6.50 160 154 A 20 VAL H A 19 CYS HA 1.0 . 3.27 161 155 A 16 ILE HB A 19 CYS H 1.0 . 3.92 162 156 A 19 CYS H A 18 THR HB 1.0 . 2.68 163 157 A 11 LEU HA A 14 ASP H 1.0 . 4.11 164 158 A 14 ASP H A 11 LEU HBx 1.0 . 5.08 165 158 A 11 LEU HBy A 14 ASP H 1.0 . 5.08 166 159 A 6 GLU H A 6 GLU HGx 1.0 . 4.45 167 160 A 6 GLU H A 6 GLU HGy 1.0 . 4.94 168 161 A 6 GLU HA A 6 GLU HGx 1.0 . 4.32 169 162 A 6 GLU HA A 6 GLU HGy 1.0 . 5.38 170 163 A 6 GLU HGx A 6 GLU HGy 1.0 . 2.40 171 164 A 27 MET H A 27 MET HGx 1.0 . 4.85 172 165 A 27 MET HBx A 27 MET HBy 1.0 . 2.40 173 166 A 25 LYS HBy A 25 LYS HBx 1.0 . 2.40 174 167 A 25 LYS HDx A 25 LYS HGx 1.0 . 4.63 175 167 A 25 LYS HDy A 25 LYS HGx 1.0 . 4.63 176 167 A 25 LYS HGy A 25 LYS HDx 1.0 . 4.63 177 167 A 25 LYS HGy A 25 LYS HDy 1.0 . 4.63 178 168 A 26 CYS HBx A 26 CYS HBy 1.0 . 2.40 179 169 A 23 LYS H A 23 LYS HGx 1.0 . 6.17 180 169 A 23 LYS H A 23 LYS HGy 1.0 . 6.17 181 170 A 23 LYS HA A 23 LYS HGx 1.0 . 6.38 182 170 A 23 LYS HA A 23 LYS HGy 1.0 . 6.38 183 171 A 2 CYS HBx A 2 CYS HBy 1.0 . 2.40 184 172 A 11 LEU H A 11 LEU HG 1.0 . 3.98 185 173 A 11 LEU HA A 11 LEU HG 1.0 . 4.33 186 174 A 11 LEU HG A 11 LEU HBx 1.0 . 3.28 187 174 A 11 LEU HBy A 11 LEU HG 1.0 . 3.28 188 175 A 16 ILE H A 16 ILE HG1y 1.0 . 4.76 189 176 A 16 ILE H A 16 ILE HG1x 1.0 . 4.17 190 177 A 16 ILE HA A 16 ILE HG1x 1.0 . 3.74 191 178 A 16 ILE HB A 16 ILE HG1y 1.0 . 3.58 192 179 A 16 ILE HB A 16 ILE HG1x 1.0 . 3.48 193 180 A 13 TYR HBx A 13 TYR HBy 1.0 . 2.40 194 181 A 8 CYS HBx A 8 CYS HBy 1.0 . 2.40 195 182 A 10 LEU H A 10 LEU HG 1.0 . 4.64 196 183 A 10 LEU HA A 10 LEU HG 1.0 . 4.42 197 184 A 10 LEU HBy A 10 LEU HBx 1.0 . 2.40 198 185 A 7 ASP HBx A 7 ASP HBy 1.0 . 2.40 199 186 A 5 HIS HBx A 5 HIS HD1 1.0 . 3.39 200 187 A 5 HIS HBy A 5 HIS HD1 1.0 . 4.01 201 188 A 5 HIS HBy A 5 HIS HBx 1.0 . 2.40 202 189 A 24 CYS H A 23 LYS HGx 1.0 . 6.38 203 189 A 24 CYS H A 23 LYS HGy 1.0 . 6.38 204 190 A 14 ASP HBx A 14 ASP HBy 1.0 . 2.40 205 191 A 18 THR HA A 5 HIS HBy 1.0 . 4.20 206 192 A 26 CYS HBy A 11 LEU HA 1.0 . 4.51 207 193 A 12 CYS HBy A 12 CYS HBx 1.0 . 2.40 208 194 A 12 CYS HBx A 13 TYR HD% 1.0 . 6.08 209 195 A 12 CYS HBy A 13 TYR HD% 1.0 . 6.36 210 196 A 12 CYS HA A 13 TYR HD% 1.0 . 6.70 211 197 A 12 CYS H A 13 TYR HD% 1.0 . 7.63 212 198 A 13 TYR HBx A 13 TYR HD% 1.0 . 7.63 213 199 A 13 TYR HBy A 13 TYR HD% 1.0 . 7.63 214 200 A 26 CYS HA A 14 ASP HBx 1.0 . 5.25 215 201 A 24 CYS HA A 2 CYS HBy 1.0 . 5.25 216 202 A 2 CYS HA A 7 ASP HBx 1.0 . 5.04 217 203 A 2 CYS HBy A 7 ASP HBx 1.0 . 3.58 218 204 A 25 LYS H A 25 LYS HGx 1.0 . 6.88 219 204 A 25 LYS H A 25 LYS HGy 1.0 . 6.88 220 205 A 26 CYS H A 25 LYS HDx 1.0 . 6.38 221 205 A 26 CYS H A 25 LYS HDy 1.0 . 6.38 222 206 A 26 CYS H A 25 LYS HGx 1.0 . 6.88 223 206 A 26 CYS H A 25 LYS HGy 1.0 . 6.88 224 207 A 2 CYS HBy A 7 ASP HBy 1.0 . 3.27 225 208 A 26 CYS HBy A 14 ASP HA 1.0 . 5.34 226 209 A 25 LYS HBy A 25 LYS HGx 1.0 . 5.70 227 209 A 25 LYS HBy A 25 LYS HGy 1.0 . 5.70 228 210 A 8 CYS HA A 11 LEU HG 1.0 . 4.57 229 211 A 13 TYR HBx A 14 ASP HBy 1.0 . 5.50 230 212 A 16 ILE HA A 16 ILE HG1y 1.0 . 5.63 231 213 A 24 CYS HBy A 8 CYS HBy 1.0 . 3.76 232 214 A 14 ASP H A 11 LEU HG 1.0 . 4.51 233 215 A 8 CYS HBx A 19 CYS HBx 1.0 . 6.35 234 215 A 8 CYS HBx A 19 CYS HBy 1.0 . 6.35 235 216 A 24 CYS HBx A 19 CYS HBx 1.0 . 6.23 236 216 A 24 CYS HBx A 19 CYS HBy 1.0 . 6.23 237 217 A 14 ASP HBy A 19 CYS HBx 1.0 . 6.38 238 217 A 14 ASP HBy A 19 CYS HBy 1.0 . 6.38 239 218 A 3 VAL H A 3 VAL HG1% 1.0 . 6.98 240 218 A 3 VAL H A 3 VAL HG2% 1.0 . 6.98 241 219 A 3 VAL HA A 3 VAL HG1% 1.0 . 5.83 242 219 A 3 VAL HA A 3 VAL HG2% 1.0 . 5.83 243 220 A 3 VAL HB A 3 VAL HG1% 1.0 . 5.09 244 220 A 3 VAL HB A 3 VAL HG2% 1.0 . 5.09 245 221 A 4 THR H A 4 THR HG2% 1.0 . 4.75 246 222 A 4 THR HB A 4 THR HG2% 1.0 . 3.67 247 223 A 20 VAL H A 20 VAL HG1% 1.0 . 6.82 248 223 A 20 VAL H A 20 VAL HG2% 1.0 . 6.82 249 224 A 20 VAL HB A 20 VAL HG1% 1.0 . 4.65 250 224 A 20 VAL HB A 20 VAL HG2% 1.0 . 4.65 251 225 A 20 VAL HA A 20 VAL HG1% 1.0 . 5.27 252 225 A 20 VAL HA A 20 VAL HG2% 1.0 . 5.27 253 226 A 1 ALA H1 A 1 ALA HB% 1.0 . 3.82 254 227 A 1 ALA HA A 1 ALA HB% 1.0 . 4.04 255 228 A 15 THR H A 15 THR HG2% 1.0 . 5.62 256 229 A 15 THR HA A 15 THR HG2% 1.0 . 4.13 257 230 A 15 THR HB A 15 THR HG2% 1.0 . 4.07 258 231 A 11 LEU H A 11 LEU HD2% 1.0 . 6.30 259 232 A 11 LEU HA A 11 LEU HD1% 1.0 . 4.63 260 233 A 11 LEU HA A 11 LEU HD2% 1.0 . 5.96 261 234 A 11 LEU HD1% A 11 LEU HBx 1.0 . 6.25 262 234 A 11 LEU HBy A 11 LEU HD1% 1.0 . 6.25 263 235 A 11 LEU HD2% A 11 LEU HBx 1.0 . 6.56 264 235 A 11 LEU HBy A 11 LEU HD2% 1.0 . 6.56 265 236 A 11 LEU HG A 11 LEU HD2% 1.0 . 3.73 266 237 A 11 LEU HG A 11 LEU HD1% 1.0 . 5.43 267 238 A 16 ILE H A 16 ILE HD1% 1.0 . 7.02 268 239 A 16 ILE HA A 16 ILE HD1% 1.0 . 4.69 269 240 A 16 ILE HB A 16 ILE HD1% 1.0 . 3.98 270 241 A 16 ILE HG1y A 16 ILE HD1% 1.0 . 3.42 271 242 A 16 ILE H A 16 ILE HG2% 1.0 . 7.02 272 243 A 16 ILE HA A 16 ILE HG2% 1.0 . 4.69 273 244 A 16 ILE HG1y A 16 ILE HG2% 1.0 . 3.51 274 245 A 16 ILE HB A 16 ILE HG2% 1.0 . 4.50 275 246 A 10 LEU HA A 10 LEU HD2% 1.0 . 5.46 276 247 A 10 LEU HA A 10 LEU HD1% 1.0 . 4.19 277 248 A 10 LEU HBy A 10 LEU HD1% 1.0 . 6.52 278 249 A 10 LEU HBy A 10 LEU HD2% 1.0 . 5.15 279 250 A 10 LEU HG A 10 LEU HD1% 1.0 . 4.88 280 251 A 10 LEU HG A 10 LEU HD2% 1.0 . 6.52 281 252 A 12 CYS HBx A 10 LEU HD1% 1.0 . 4.88 282 253 A 10 LEU HBx A 10 LEU HD2% 1.0 . 4.72 283 254 A 9 THR H A 9 THR HG2% 1.0 . 5.37 284 255 A 9 THR HB A 9 THR HG2% 1.0 . 3.60 285 256 A 9 THR HA A 9 THR HG2% 1.0 . 4.13 286 257 A 18 THR H A 18 THR HG2% 1.0 . 5.09 287 258 A 18 THR HA A 18 THR HG2% 1.0 . 4.10 288 259 A 2 CYS H A 1 ALA HB% 1.0 . 4.66 289 260 A 4 THR H A 3 VAL HG1% 1.0 . 7.88 290 260 A 4 THR H A 3 VAL HG2% 1.0 . 7.88 291 261 A 10 LEU H A 9 THR HG2% 1.0 . 6.52 292 262 A 21 ASP H A 20 VAL HG1% 1.0 . 6.39 293 262 A 21 ASP H A 20 VAL HG2% 1.0 . 6.39 294 263 A 6 GLU H A 4 THR HG2% 1.0 . 5.84 295 264 A 5 HIS HBx A 18 THR HG2% 1.0 . 4.88 296 265 A 5 HIS HBy A 18 THR HG2% 1.0 . 4.88 297 266 A 10 LEU H A 11 LEU HD2% 1.0 . 6.80 298 267 A 19 CYS H A 16 ILE HG2% 1.0 . 5.28 299 268 A 11 LEU H A 11 LEU HD1% 1.0 . 7.02 300 269 A 24 CYS HBy A 11 LEU HD1% 1.0 . 6.02 301 270 A 24 CYS HBx A 11 LEU HD1% 1.0 . 5.40 302 271 A 24 CYS HBy A 10 LEU HD2% 1.0 . 6.49 303 272 A 24 CYS HBx A 10 LEU HD2% 1.0 . 6.24 304 273 A 18 THR HB A 18 THR HG2% 1.0 . 4.76 305 274 A 22 GLY HAy A 1 ALA HB% 1.0 . 6.24 306 275 A 22 GLY HAx A 1 ALA HB% 1.0 . 6.39 307 276 A 6 GLU HA A 9 THR HG2% 1.0 . 6.02 308 277 A 25 LYS HBy A 20 VAL HG1% 1.0 . 7.60 309 277 A 25 LYS HBy A 20 VAL HG2% 1.0 . 7.60 310 278 A 3 VAL HB A 4 THR HG2% 1.0 . 6.36 stop_ save_ save_DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_2 _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 ALA N A 1 ALA CA A 1 ALA C A 2 CYS N 1.0 -55.8 -13.4 PSI 2 2 A 2 CYS C A 3 VAL N A 3 VAL CA A 3 VAL C 1.0 -119.4 -37.3 PHI 3 3 A 3 VAL N A 3 VAL CA A 3 VAL C A 4 THR N 1.0 -61.7 -10.0 PSI 4 4 A 5 HIS C A 6 GLU N A 6 GLU CA A 6 GLU C 1.0 -77.5 -53.1 PHI 5 5 A 6 GLU N A 6 GLU CA A 6 GLU C A 7 ASP N 1.0 -56.7 -30.4 PSI 6 6 A 9 THR C A 10 LEU N A 10 LEU CA A 10 LEU C 1.0 -78.2 -51.6 PHI 7 7 A 10 LEU N A 10 LEU CA A 10 LEU C A 11 LEU N 1.0 -55.5 -20.0 PSI 8 8 A 11 LEU C A 12 CYS N A 12 CYS CA A 12 CYS C 1.0 -74.2 -54.1 PHI 9 9 A 12 CYS N A 12 CYS CA A 12 CYS C A 13 TYR N 1.0 -64.1 -17.7 PSI 10 10 A 22 GLY C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -149.3 -88.1 PHI 11 11 A 23 LYS N A 23 LYS CA A 23 LYS C A 24 CYS N 1.0 129.4 161.3 PSI 12 12 A 23 LYS C A 24 CYS N A 24 CYS CA A 24 CYS C 1.0 -185.0 -69.6 PHI 13 13 A 24 CYS N A 24 CYS CA A 24 CYS C A 25 LYS N 1.0 122.3 166.7 PSI 14 14 A 24 CYS C A 25 LYS N A 25 LYS CA A 25 LYS C 1.0 -152.5 -39.8 PHI 15 15 A 25 LYS N A 25 LYS CA A 25 LYS C A 26 CYS N 1.0 72.2 169.0 PSI 16 16 A 25 LYS C A 26 CYS N A 26 CYS CA A 26 CYS C 1.0 -150.8 -71.8 PHI 17 17 A 26 CYS N A 26 CYS CA A 26 CYS C A 27 MET N 1.0 100.9 142.3 PSI stop_ save_