data_nef_c15099_2jmy 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_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 LYS start . . 2 A 2 TRP middle . . 3 A 3 LYS middle . . 4 A 4 LEU middle . . 5 A 5 PHE middle . . 6 A 6 LYS middle . . 7 A 7 LYS middle . . 8 A 8 ILE middle . . 9 A 9 GLY middle . false 10 A 10 ALA middle . . 11 A 11 VAL middle . . 12 A 12 LEU middle . . 13 A 13 LYS middle . . 14 A 14 VAL middle . . 15 A 15 LEU 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 LYS H H 1 8.712 . A 1 LYS HA H 1 3.870 . A 1 LYS HBx H 1 1.584 . A 1 LYS HDx H 1 1.557 . A 1 LYS HEx H 1 2.818 . A 1 LYS HGx H 1 1.207 . A 1 LYS CA C 13 58.00 . A 1 LYS CB C 13 28.10 . A 2 TRP H H 1 8.394 . A 2 TRP HA H 1 4.760 . A 2 TRP HBx H 1 3.312 . A 2 TRP HD1 H 1 7.341 . A 2 TRP HE1 H 1 10.653 . A 2 TRP HE3 H 1 7.497 . A 2 TRP HH2 H 1 7.074 . A 2 TRP HZ2 H 1 7.509 . A 2 TRP HZ3 H 1 6.837 . A 2 TRP CB C 13 27.80 . A 3 LYS H H 1 7.804 . A 3 LYS HA H 1 3.905 . A 3 LYS HBx H 1 1.995 . A 3 LYS CA C 13 58.00 . A 3 LYS CB C 13 31.10 . A 4 LEU H H 1 7.864 . A 4 LEU HA H 1 4.049 . A 4 LEU HBx H 1 1.670 . A 4 LEU HDx% H 1 0.834 . A 4 LEU HG H 1 1.651 . A 4 LEU CA C 13 56.80 . A 4 LEU CB C 13 40.40 . A 5 PHE H H 1 8.154 . A 5 PHE HA H 1 4.184 . A 5 PHE HBx H 1 3.155 . A 5 PHE HD1 H 1 7.069 . A 5 PHE CA C 13 60.50 . A 5 PHE CB C 13 37.10 . A 6 LYS H H 1 8.033 . A 6 LYS HA H 1 3.931 . A 6 LYS HBx H 1 1.846 . A 6 LYS HGx H 1 1.389 . A 6 LYS CA C 13 58.20 . A 6 LYS CB C 13 31.10 . A 7 LYS H H 1 7.745 . A 7 LYS HA H 1 4.170 . A 7 LYS HBx H 1 1.899 . A 7 LYS HEx H 1 2.912 . A 7 LYS HGx H 1 1.658 . A 7 LYS CA C 13 57.50 . A 8 ILE H H 1 8.069 . A 8 ILE HA H 1 3.672 . A 8 ILE HB H 1 1.833 . A 8 ILE HD1% H 1 0.776 . A 8 ILE HG1x H 1 0.845 . A 8 ILE CA C 13 63.70 . A 8 ILE CB C 13 36.80 . A 9 GLY H H 1 8.409 . A 9 GLY HAx H 1 3.670 . A 9 GLY CA C 13 46.50 . A 10 ALA H H 1 7.769 . A 10 ALA HA H 1 4.105 . A 10 ALA HB% H 1 1.518 . A 10 ALA CA C 13 53.80 . A 10 ALA CB C 13 17.40 . A 11 VAL H H 1 7.681 . A 11 VAL HA H 1 3.755 . A 11 VAL HB H 1 2.260 . A 11 VAL HGx% H 1 0.994 . A 11 VAL CA C 13 64.40 . A 11 VAL CB C 13 30.80 . A 12 LEU H H 1 8.055 . A 12 LEU HA H 1 3.966 . A 12 LEU HBx H 1 1.980 . A 12 LEU HDx% H 1 0.813 . A 12 LEU CA C 13 56.50 . A 13 LYS H H 1 7.753 . A 13 LYS HA H 1 3.961 . A 13 LYS HBx H 1 1.808 . A 13 LYS HEx H 1 2.919 . A 13 LYS CA C 13 57.80 . A 13 LYS CB C 13 31.10 . A 14 VAL H H 1 7.337 . A 14 VAL HA H 1 3.943 . A 14 VAL HB H 1 2.258 . A 14 VAL HGx% H 1 1.002 . A 14 VAL CA C 13 63.00 . A 14 VAL CB C 13 30.80 . A 15 LEU H H 1 7.653 . A 15 LEU HA H 1 4.059 . A 15 LEU HBx H 1 1.800 . A 15 LEU HDx% H 1 0.829 . A 15 LEU CA C 13 55.00 . A 15 LEU CB C 13 40.40 . 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 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 LYS HA A 1 LYS HBx 1.0 1.8 2.601 2 1 A 1 LYS HA A 1 LYS HBy 1.0 1.8 2.601 3 2 A 1 LYS HDy A 1 LYS HEx 1.0 1.8 2.572 4 2 A 1 LYS HDx A 1 LYS HEx 1.0 1.8 2.572 5 2 A 1 LYS HEy A 1 LYS HDx 1.0 1.8 2.572 6 2 A 1 LYS HEy A 1 LYS HDy 1.0 1.8 2.572 7 3 A 1 LYS HEx A 1 LYS HGx 1.0 1.8 3.640 8 3 A 1 LYS HEy A 1 LYS HGx 1.0 1.8 3.640 9 3 A 1 LYS HGy A 1 LYS HEx 1.0 1.8 3.640 10 3 A 1 LYS HEy A 1 LYS HGy 1.0 1.8 3.640 11 4 A 1 LYS HA A 2 TRP HA 1.0 1.8 4.471 12 5 A 2 TRP HD1 A 1 LYS HEx 1.0 1.8 5.882 13 5 A 1 LYS HEy A 2 TRP HD1 1.0 1.8 5.882 14 6 A 2 TRP HE1 A 1 LYS HBx 1.0 1.8 6.000 15 6 A 1 LYS HBy A 2 TRP HE1 1.0 1.8 6.000 16 7 A 2 TRP HE1 A 1 LYS HEx 1.0 1.8 6.000 17 7 A 1 LYS HEy A 2 TRP HE1 1.0 1.8 6.000 18 8 A 2 TRP HE1 A 1 LYS HGx 1.0 1.8 6.000 19 8 A 1 LYS HGy A 2 TRP HE1 1.0 1.8 6.000 20 9 A 2 TRP HE3 A 1 LYS HGx 1.0 1.8 4.979 21 9 A 1 LYS HGy A 2 TRP HE3 1.0 1.8 4.979 22 10 A 1 LYS HA A 2 TRP H 1.0 1.8 3.326 23 11 A 1 LYS HA A 2 TRP H 1.0 1.8 3.358 24 12 A 2 TRP H A 1 LYS HBx 1.0 1.8 3.319 25 12 A 1 LYS HBy A 2 TRP H 1.0 1.8 3.319 26 13 A 2 TRP H A 1 LYS HEx 1.0 1.8 6.000 27 13 A 1 LYS HEy A 2 TRP H 1.0 1.8 6.000 28 14 A 2 TRP H A 1 LYS HGx 1.0 1.8 3.708 29 14 A 1 LYS HGy A 2 TRP H 1.0 1.8 3.708 30 15 A 2 TRP HZ2 A 1 LYS HEx 1.0 1.8 6.000 31 15 A 1 LYS HEy A 2 TRP HZ2 1.0 1.8 6.000 32 16 A 2 TRP HZ3 A 1 LYS HGx 1.0 1.8 6.000 33 16 A 1 LYS HGy A 2 TRP HZ3 1.0 1.8 6.000 34 17 A 2 TRP HA A 2 TRP HBx 1.0 1.8 6.000 35 17 A 2 TRP HA A 2 TRP HBy 1.0 1.8 6.000 36 18 A 2 TRP HA A 2 TRP HD1 1.0 1.8 4.100 37 19 A 2 TRP HD1 A 2 TRP HBx 1.0 1.8 2.868 38 19 A 2 TRP HD1 A 2 TRP HBy 1.0 1.8 2.868 39 20 A 2 TRP HD1 A 2 TRP HBx 1.0 1.8 3.304 40 20 A 2 TRP HD1 A 2 TRP HBy 1.0 1.8 3.304 41 21 A 2 TRP HA A 2 TRP HE1 1.0 1.8 6.000 42 22 A 2 TRP HE1 A 2 TRP HBx 1.0 1.8 6.000 43 22 A 2 TRP HE1 A 2 TRP HBy 1.0 1.8 6.000 44 23 A 2 TRP HD1 A 2 TRP HE1 1.0 1.8 2.877 45 24 A 2 TRP HA A 2 TRP HE3 1.0 1.8 2.855 46 25 A 2 TRP HE3 A 2 TRP HBx 1.0 1.8 2.963 47 25 A 2 TRP HE3 A 2 TRP HBy 1.0 1.8 2.963 48 26 A 2 TRP HE3 A 2 TRP HBx 1.0 1.8 3.477 49 26 A 2 TRP HE3 A 2 TRP HBy 1.0 1.8 3.477 50 27 A 2 TRP HA A 2 TRP H 1.0 1.8 3.395 51 28 A 2 TRP H A 2 TRP HBx 1.0 1.8 6.000 52 28 A 2 TRP H A 2 TRP HBy 1.0 1.8 6.000 53 29 A 2 TRP HD1 A 2 TRP H 1.0 1.8 3.966 54 30 A 2 TRP HD1 A 2 TRP H 1.0 1.8 3.576 55 31 A 2 TRP HE1 A 2 TRP H 1.0 1.8 6.000 56 32 A 2 TRP HE3 A 2 TRP H 1.0 1.8 4.997 57 33 A 2 TRP HE3 A 2 TRP H 1.0 1.8 4.335 58 34 A 2 TRP HE1 A 2 TRP HZ2 1.0 1.8 3.396 59 35 A 2 TRP HZ2 A 2 TRP HH2 1.0 1.8 2.555 60 36 A 2 TRP HZ2 A 2 TRP HH2 1.0 1.8 2.608 61 37 A 2 TRP HA A 2 TRP HZ3 1.0 1.8 5.500 62 38 A 2 TRP HZ3 A 2 TRP HBx 1.0 1.8 4.735 63 38 A 2 TRP HZ3 A 2 TRP HBy 1.0 1.8 4.735 64 39 A 2 TRP HE3 A 2 TRP HZ3 1.0 1.8 2.610 65 40 A 2 TRP HE3 A 2 TRP HZ3 1.0 1.8 2.568 66 41 A 2 TRP HZ3 A 2 TRP HH2 1.0 1.8 2.627 67 42 A 2 TRP HZ3 A 2 TRP HH2 1.0 1.8 2.531 68 43 A 2 TRP HA A 3 LYS HA 1.0 1.8 5.796 69 44 A 3 LYS HA A 2 TRP HBx 1.0 1.8 4.702 70 44 A 2 TRP HBy A 3 LYS HA 1.0 1.8 4.702 71 45 A 2 TRP HE3 A 3 LYS HA 1.0 1.8 4.674 72 46 A 2 TRP HZ3 A 3 LYS HA 1.0 1.8 5.649 73 47 A 2 TRP HE3 A 3 LYS HBx 1.0 1.8 5.894 74 47 A 2 TRP HE3 A 3 LYS HBy 1.0 1.8 5.894 75 48 A 2 TRP H A 3 LYS HBx 1.0 1.8 6.000 76 48 A 2 TRP H A 3 LYS HBy 1.0 1.8 6.000 77 49 A 2 TRP HA A 3 LYS H 1.0 1.8 3.854 78 50 A 3 LYS H A 2 TRP HBx 1.0 1.8 3.483 79 50 A 2 TRP HBy A 3 LYS H 1.0 1.8 3.483 80 51 A 2 TRP HD1 A 3 LYS H 1.0 1.8 5.500 81 52 A 2 TRP HE3 A 3 LYS H 1.0 1.8 6.000 82 53 A 2 TRP H A 3 LYS H 1.0 1.8 3.700 83 54 A 2 TRP H A 3 LYS H 1.0 1.8 3.700 84 55 A 3 LYS HA A 3 LYS HBx 1.0 1.8 2.529 85 55 A 3 LYS HA A 3 LYS HBy 1.0 1.8 2.529 86 56 A 3 LYS HA A 3 LYS H 1.0 1.8 3.186 87 57 A 3 LYS HA A 3 LYS H 1.0 1.8 2.827 88 58 A 3 LYS H A 3 LYS HBx 1.0 1.8 2.952 89 58 A 3 LYS HBy A 3 LYS H 1.0 1.8 2.952 90 59 A 3 LYS H A 3 LYS HBx 1.0 1.8 3.888 91 59 A 3 LYS HBy A 3 LYS H 1.0 1.8 3.888 92 60 A 2 TRP HE1 A 4 LEU HBx 1.0 1.8 6.000 93 60 A 2 TRP HE1 A 4 LEU HBy 1.0 1.8 6.000 94 61 A 2 TRP HZ2 A 4 LEU HBx 1.0 1.8 6.000 95 61 A 2 TRP HZ2 A 4 LEU HBy 1.0 1.8 6.000 96 62 A 2 TRP HZ3 A 4 LEU HBx 1.0 1.8 5.448 97 62 A 2 TRP HZ3 A 4 LEU HBy 1.0 1.8 5.448 98 63 A 2 TRP HE3 A 4 LEU HDx% 1.0 1.8 5.388 99 63 A 2 TRP HE3 A 4 LEU HD21 1.0 1.8 5.388 100 64 A 2 TRP HA A 4 LEU H 1.0 1.8 5.126 101 65 A 4 LEU H A 2 TRP HBx 1.0 1.8 5.327 102 65 A 2 TRP HBy A 4 LEU H 1.0 1.8 5.327 103 66 A 2 TRP H A 4 LEU H 1.0 1.8 5.016 104 67 A 3 LYS H A 4 LEU HA 1.0 1.8 4.794 105 68 A 3 LYS H A 4 LEU HBx 1.0 1.8 3.878 106 68 A 3 LYS H A 4 LEU HBy 1.0 1.8 3.878 107 69 A 3 LYS HA A 4 LEU H 1.0 1.8 3.590 108 70 A 3 LYS HA A 4 LEU H 1.0 1.8 2.827 109 71 A 4 LEU H A 3 LYS HBx 1.0 1.8 3.331 110 71 A 3 LYS HBy A 4 LEU H 1.0 1.8 3.331 111 72 A 4 LEU HA A 4 LEU HDx% 1.0 1.8 3.241 112 72 A 4 LEU HD21 A 4 LEU HA 1.0 1.8 3.241 113 73 A 4 LEU HA A 4 LEU HG 1.0 1.8 2.901 114 74 A 4 LEU H A 4 LEU HA 1.0 1.8 3.311 115 75 A 4 LEU H A 4 LEU HA 1.0 1.8 3.173 116 76 A 4 LEU H A 4 LEU HBx 1.0 1.8 3.003 117 76 A 4 LEU HBy A 4 LEU H 1.0 1.8 3.003 118 77 A 4 LEU H A 4 LEU HBx 1.0 1.8 2.740 119 77 A 4 LEU HBy A 4 LEU H 1.0 1.8 2.740 120 78 A 4 LEU H A 4 LEU HDx% 1.0 1.8 4.970 121 78 A 4 LEU HD21 A 4 LEU H 1.0 1.8 4.970 122 79 A 4 LEU H A 4 LEU HDx% 1.0 1.8 4.779 123 79 A 4 LEU HD21 A 4 LEU H 1.0 1.8 4.779 124 80 A 2 TRP HE3 A 5 PHE HA 1.0 1.8 5.817 125 81 A 2 TRP HA A 5 PHE HBx 1.0 1.8 3.319 126 81 A 2 TRP HA A 5 PHE HBy 1.0 1.8 3.319 127 82 A 2 TRP HE3 A 5 PHE HBx 1.0 1.8 3.505 128 82 A 2 TRP HE3 A 5 PHE HBy 1.0 1.8 3.505 129 83 A 2 TRP HE3 A 5 PHE HBx 1.0 1.8 4.026 130 83 A 2 TRP HE3 A 5 PHE HBy 1.0 1.8 4.026 131 84 A 2 TRP H A 5 PHE HBx 1.0 1.8 4.994 132 84 A 2 TRP H A 5 PHE HBy 1.0 1.8 4.994 133 85 A 2 TRP HZ3 A 5 PHE HBx 1.0 1.8 4.737 134 85 A 2 TRP HZ3 A 5 PHE HBy 1.0 1.8 4.737 135 86 A 2 TRP HA A 5 PHE H 1.0 1.8 4.175 136 87 A 5 PHE H A 2 TRP HBx 1.0 1.8 5.647 137 87 A 2 TRP HBy A 5 PHE H 1.0 1.8 5.647 138 88 A 2 TRP HE3 A 5 PHE H 1.0 1.8 6.000 139 89 A 2 TRP H A 5 PHE H 1.0 1.8 6.000 140 90 A 3 LYS H A 5 PHE HBx 1.0 1.8 5.211 141 90 A 3 LYS H A 5 PHE HBy 1.0 1.8 5.211 142 91 A 3 LYS HA A 5 PHE H 1.0 1.8 4.336 143 92 A 3 LYS HA A 5 PHE H 1.0 1.8 4.338 144 93 A 5 PHE H A 3 LYS HBx 1.0 1.8 5.391 145 93 A 3 LYS HBy A 5 PHE H 1.0 1.8 5.391 146 94 A 3 LYS H A 5 PHE H 1.0 1.8 4.867 147 95 A 4 LEU H A 5 PHE HA 1.0 1.8 5.404 148 96 A 4 LEU H A 5 PHE HBx 1.0 1.8 4.380 149 96 A 4 LEU H A 5 PHE HBy 1.0 1.8 4.380 150 97 A 4 LEU HA A 5 PHE H 1.0 1.8 4.205 151 98 A 4 LEU HA A 5 PHE H 1.0 1.8 4.009 152 99 A 5 PHE H A 4 LEU HBx 1.0 1.8 3.697 153 99 A 4 LEU HBy A 5 PHE H 1.0 1.8 3.697 154 100 A 5 PHE H A 4 LEU HBx 1.0 1.8 3.334 155 100 A 4 LEU HBy A 5 PHE H 1.0 1.8 3.334 156 101 A 5 PHE H A 4 LEU HDx% 1.0 1.8 5.214 157 101 A 4 LEU HD21 A 5 PHE H 1.0 1.8 5.214 158 102 A 5 PHE H A 4 LEU HDx% 1.0 1.8 4.571 159 102 A 4 LEU HD21 A 5 PHE H 1.0 1.8 4.571 160 103 A 4 LEU H A 5 PHE H 1.0 1.8 3.381 161 104 A 4 LEU H A 5 PHE H 1.0 1.8 3.449 162 105 A 5 PHE HA A 5 PHE HBx 1.0 1.8 6.000 163 105 A 5 PHE HA A 5 PHE HBy 1.0 1.8 6.000 164 106 A 5 PHE HA A 5 PHE HBx 1.0 1.8 2.861 165 106 A 5 PHE HA A 5 PHE HBy 1.0 1.8 2.861 166 107 A 5 PHE HA A 5 PHE HD% 1.0 1.8 2.900 167 108 A 5 PHE HD% A 5 PHE HBx 1.0 1.8 2.846 168 108 A 5 PHE HBy A 5 PHE HD% 1.0 1.8 2.846 169 109 A 5 PHE HA A 5 PHE H 1.0 1.8 3.317 170 110 A 5 PHE HA A 5 PHE H 1.0 1.8 3.457 171 111 A 5 PHE H A 5 PHE HBx 1.0 1.8 5.861 172 111 A 5 PHE HBy A 5 PHE H 1.0 1.8 5.861 173 112 A 5 PHE H A 5 PHE HBx 1.0 1.8 2.954 174 112 A 5 PHE HBy A 5 PHE H 1.0 1.8 2.954 175 113 A 5 PHE H A 5 PHE HD% 1.0 1.8 4.304 176 114 A 2 TRP HE3 A 6 LYS HBx 1.0 1.8 5.496 177 114 A 2 TRP HE3 A 6 LYS HBy 1.0 1.8 5.496 178 115 A 2 TRP HE3 A 6 LYS HGx 1.0 1.8 4.771 179 115 A 2 TRP HE3 A 6 LYS HGy 1.0 1.8 4.771 180 116 A 2 TRP HE3 A 6 LYS HGx 1.0 1.8 5.472 181 116 A 2 TRP HE3 A 6 LYS HGy 1.0 1.8 5.472 182 117 A 2 TRP HA A 6 LYS H 1.0 1.8 5.350 183 118 A 6 LYS H A 2 TRP HBx 1.0 1.8 6.000 184 118 A 2 TRP HBy A 6 LYS H 1.0 1.8 6.000 185 119 A 2 TRP HE3 A 6 LYS H 1.0 1.8 6.000 186 120 A 3 LYS HA A 6 LYS HGx 1.0 1.8 3.090 187 120 A 3 LYS HA A 6 LYS HGy 1.0 1.8 3.090 188 121 A 4 LEU HA A 6 LYS H 1.0 1.8 5.003 189 122 A 6 LYS H A 4 LEU HBx 1.0 1.8 4.042 190 122 A 4 LEU HBy A 6 LYS H 1.0 1.8 4.042 191 123 A 6 LYS HA A 5 PHE HBx 1.0 1.8 4.315 192 123 A 5 PHE HBy A 6 LYS HA 1.0 1.8 4.315 193 124 A 5 PHE H A 6 LYS HBx 1.0 1.8 4.220 194 124 A 5 PHE H A 6 LYS HBy 1.0 1.8 4.220 195 125 A 5 PHE H A 6 LYS HGx 1.0 1.8 6.000 196 125 A 5 PHE H A 6 LYS HGy 1.0 1.8 6.000 197 126 A 5 PHE HA A 6 LYS H 1.0 1.8 3.725 198 127 A 5 PHE HA A 6 LYS H 1.0 1.8 3.240 199 128 A 6 LYS H A 5 PHE HBx 1.0 1.8 3.317 200 128 A 5 PHE HBy A 6 LYS H 1.0 1.8 3.317 201 129 A 6 LYS H A 5 PHE HBx 1.0 1.8 3.402 202 129 A 5 PHE HBy A 6 LYS H 1.0 1.8 3.402 203 130 A 5 PHE HD% A 6 LYS H 1.0 1.8 6.000 204 131 A 5 PHE H A 6 LYS H 1.0 1.8 3.586 205 132 A 5 PHE H A 6 LYS H 1.0 1.8 3.716 206 133 A 6 LYS H A 6 LYS HA 1.0 1.8 3.039 207 134 A 6 LYS H A 6 LYS HA 1.0 1.8 2.633 208 135 A 6 LYS H A 6 LYS HBx 1.0 1.8 2.721 209 135 A 6 LYS HBy A 6 LYS H 1.0 1.8 2.721 210 136 A 6 LYS H A 6 LYS HGx 1.0 1.8 3.034 211 136 A 6 LYS HGy A 6 LYS H 1.0 1.8 3.034 212 137 A 6 LYS H A 6 LYS HGx 1.0 1.8 3.917 213 137 A 6 LYS HGy A 6 LYS H 1.0 1.8 3.917 214 138 A 4 LEU HA A 7 LYS HBx 1.0 1.8 4.040 215 138 A 4 LEU HA A 7 LYS HBy 1.0 1.8 4.040 216 139 A 4 LEU HA A 7 LYS HBx 1.0 1.8 3.748 217 139 A 4 LEU HA A 7 LYS HBy 1.0 1.8 3.748 218 140 A 7 LYS H A 4 LEU HBx 1.0 1.8 3.800 219 140 A 4 LEU HBy A 7 LYS H 1.0 1.8 3.800 220 141 A 7 LYS H A 4 LEU HBx 1.0 1.8 3.800 221 141 A 4 LEU HBy A 7 LYS H 1.0 1.8 3.800 222 142 A 7 LYS H A 5 PHE HBx 1.0 1.8 5.167 223 142 A 5 PHE HBy A 7 LYS H 1.0 1.8 5.167 224 143 A 5 PHE H A 7 LYS H 1.0 1.8 4.653 225 144 A 7 LYS HA A 6 LYS HGx 1.0 1.8 3.285 226 144 A 6 LYS HGy A 7 LYS HA 1.0 1.8 3.285 227 145 A 7 LYS H A 6 LYS HGx 1.0 1.8 3.406 228 145 A 6 LYS HGy A 7 LYS H 1.0 1.8 3.406 229 146 A 7 LYS H A 6 LYS HGx 1.0 1.8 5.022 230 146 A 6 LYS HGy A 7 LYS H 1.0 1.8 5.022 231 147 A 7 LYS HA A 7 LYS HBx 1.0 1.8 3.127 232 147 A 7 LYS HBy A 7 LYS HA 1.0 1.8 3.127 233 148 A 7 LYS HA A 7 LYS HBx 1.0 1.8 2.760 234 148 A 7 LYS HBy A 7 LYS HA 1.0 1.8 2.760 235 149 A 7 LYS HA A 7 LYS HGx 1.0 1.8 3.175 236 149 A 7 LYS HA A 7 LYS HGy 1.0 1.8 3.175 237 150 A 7 LYS H A 7 LYS HA 1.0 1.8 3.010 238 151 A 7 LYS H A 7 LYS HA 1.0 1.8 3.096 239 152 A 4 LEU HA A 8 ILE H 1.0 1.8 5.524 240 153 A 8 ILE H A 4 LEU HBx 1.0 1.8 5.263 241 153 A 4 LEU HBy A 8 ILE H 1.0 1.8 5.263 242 154 A 5 PHE HA A 8 ILE HB 1.0 1.8 4.700 243 155 A 5 PHE H A 8 ILE HB 1.0 1.8 4.783 244 156 A 5 PHE HA A 8 ILE HG1x 1.0 1.8 6.000 245 156 A 5 PHE HA A 8 ILE HG1y 1.0 1.8 6.000 246 157 A 8 ILE H A 5 PHE HBx 1.0 1.8 4.590 247 157 A 5 PHE HBy A 8 ILE H 1.0 1.8 4.590 248 158 A 6 LYS HA A 8 ILE HG1x 1.0 1.8 6.000 249 158 A 6 LYS HA A 8 ILE HG1y 1.0 1.8 6.000 250 159 A 7 LYS HA A 8 ILE HA 1.0 1.8 4.237 251 160 A 8 ILE HA A 7 LYS HEx 1.0 1.8 4.237 252 160 A 8 ILE HA A 7 LYS HEy 1.0 1.8 4.237 253 161 A 7 LYS HA A 8 ILE H 1.0 1.8 3.442 254 162 A 7 LYS HA A 8 ILE H 1.0 1.8 3.240 255 163 A 8 ILE HB A 8 ILE HA 1.0 1.8 3.172 256 164 A 8 ILE HB A 8 ILE HA 1.0 1.8 3.431 257 165 A 8 ILE HA A 8 ILE HD1% 1.0 1.8 6.000 258 166 A 8 ILE HA A 8 ILE HG1x 1.0 1.8 5.562 259 166 A 8 ILE HG1y A 8 ILE HA 1.0 1.8 5.562 260 167 A 8 ILE HB A 8 ILE HG1x 1.0 1.8 5.663 261 167 A 8 ILE HB A 8 ILE HG1y 1.0 1.8 5.663 262 168 A 8 ILE H A 8 ILE HA 1.0 1.8 3.207 263 169 A 8 ILE H A 8 ILE HA 1.0 1.8 3.262 264 170 A 8 ILE H A 8 ILE HB 1.0 1.8 2.995 265 171 A 8 ILE H A 8 ILE HB 1.0 1.8 6.000 266 172 A 5 PHE HA A 9 GLY H 1.0 1.8 4.701 267 173 A 9 GLY H A 5 PHE HBx 1.0 1.8 5.763 268 173 A 5 PHE HBy A 9 GLY H 1.0 1.8 5.763 269 174 A 6 LYS HA A 9 GLY H 1.0 1.8 4.193 270 175 A 6 LYS HA A 9 GLY H 1.0 1.8 5.707 271 176 A 6 LYS HA A 9 GLY H 1.0 1.8 3.834 272 177 A 9 GLY H A 6 LYS HBx 1.0 1.8 5.035 273 177 A 6 LYS HBy A 9 GLY H 1.0 1.8 5.035 274 178 A 7 LYS HA A 9 GLY H 1.0 1.8 4.256 275 179 A 8 ILE HA A 9 GLY H 1.0 1.8 3.263 276 180 A 8 ILE HB A 9 GLY H 1.0 1.8 3.245 277 181 A 8 ILE HB A 9 GLY H 1.0 1.8 6.000 278 182 A 9 GLY H A 8 ILE HG1x 1.0 1.8 3.397 279 182 A 8 ILE HG1y A 9 GLY H 1.0 1.8 3.397 280 183 A 8 ILE H A 9 GLY H 1.0 1.8 3.388 281 184 A 8 ILE H A 9 GLY H 1.0 1.8 3.382 282 185 A 9 GLY H A 9 GLY HAx 1.0 1.8 6.000 283 185 A 9 GLY H A 9 GLY HAy 1.0 1.8 6.000 284 186 A 9 GLY H A 9 GLY HAx 1.0 1.8 6.000 285 186 A 9 GLY H A 9 GLY HAy 1.0 1.8 6.000 286 187 A 9 GLY H A 9 GLY HAx 1.0 1.8 3.049 287 187 A 9 GLY H A 9 GLY HAy 1.0 1.8 3.049 288 188 A 9 GLY H A 9 GLY HAx 1.0 1.8 3.906 289 188 A 9 GLY H A 9 GLY HAy 1.0 1.8 3.906 290 189 A 9 GLY H A 9 GLY HAx 1.0 1.8 3.229 291 189 A 9 GLY H A 9 GLY HAy 1.0 1.8 3.229 292 190 A 7 LYS HA A 10 ALA HB% 1.0 1.8 3.365 293 191 A 7 LYS HA A 10 ALA H 1.0 1.8 3.657 294 192 A 8 ILE HA A 10 ALA H 1.0 1.8 4.067 295 193 A 9 GLY H A 10 ALA HA 1.0 1.8 6.000 296 194 A 9 GLY H A 10 ALA HB% 1.0 1.8 4.846 297 195 A 10 ALA H A 9 GLY HAx 1.0 1.8 3.440 298 195 A 9 GLY HAy A 10 ALA H 1.0 1.8 3.440 299 196 A 10 ALA H A 9 GLY HAx 1.0 1.8 3.528 300 196 A 9 GLY HAy A 10 ALA H 1.0 1.8 3.528 301 197 A 10 ALA H A 9 GLY HAx 1.0 1.8 3.386 302 197 A 9 GLY HAy A 10 ALA H 1.0 1.8 3.386 303 198 A 10 ALA H A 9 GLY HAx 1.0 1.8 3.917 304 198 A 9 GLY HAy A 10 ALA H 1.0 1.8 3.917 305 199 A 9 GLY H A 10 ALA H 1.0 1.8 3.331 306 200 A 9 GLY H A 10 ALA H 1.0 1.8 3.256 307 201 A 10 ALA HB% A 10 ALA HA 1.0 1.8 2.639 308 202 A 10 ALA H A 10 ALA HA 1.0 1.8 2.801 309 203 A 10 ALA H A 10 ALA HA 1.0 1.8 2.867 310 204 A 10 ALA HB% A 10 ALA H 1.0 1.8 2.827 311 205 A 8 ILE HA A 11 VAL HB 1.0 1.8 3.601 312 206 A 8 ILE HA A 11 VAL HGx% 1.0 1.8 3.894 313 206 A 8 ILE HA A 11 VAL HG21 1.0 1.8 3.894 314 207 A 8 ILE HA A 11 VAL H 1.0 1.8 4.072 315 208 A 8 ILE HA A 11 VAL H 1.0 1.8 3.780 316 209 A 9 GLY H A 11 VAL HGx% 1.0 1.8 5.276 317 209 A 9 GLY H A 11 VAL HG21 1.0 1.8 5.276 318 210 A 9 GLY H A 11 VAL H 1.0 1.8 5.131 319 211 A 10 ALA HB% A 11 VAL HA 1.0 1.8 4.727 320 212 A 10 ALA HA A 11 VAL H 1.0 1.8 3.678 321 213 A 10 ALA HB% A 11 VAL H 1.0 1.8 3.010 322 214 A 10 ALA H A 11 VAL H 1.0 1.8 3.443 323 215 A 11 VAL HB A 11 VAL HA 1.0 1.8 3.015 324 216 A 11 VAL HA A 11 VAL HGx% 1.0 1.8 2.926 325 216 A 11 VAL HG21 A 11 VAL HA 1.0 1.8 2.926 326 217 A 11 VAL HA A 11 VAL HGx% 1.0 1.8 3.221 327 217 A 11 VAL HG21 A 11 VAL HA 1.0 1.8 3.221 328 218 A 11 VAL HB A 11 VAL HGx% 1.0 1.8 3.244 329 218 A 11 VAL HB A 11 VAL HG21 1.0 1.8 3.244 330 219 A 11 VAL H A 11 VAL HA 1.0 1.8 3.174 331 220 A 11 VAL H A 11 VAL HA 1.0 1.8 2.999 332 221 A 11 VAL HB A 11 VAL H 1.0 1.8 2.804 333 222 A 11 VAL HB A 11 VAL H 1.0 1.8 6.000 334 223 A 11 VAL H A 11 VAL HGx% 1.0 1.8 6.000 335 223 A 11 VAL HG21 A 11 VAL H 1.0 1.8 6.000 336 224 A 11 VAL H A 11 VAL HGx% 1.0 1.8 6.000 337 224 A 11 VAL HG21 A 11 VAL H 1.0 1.8 6.000 338 225 A 9 GLY HAy A 12 LEU HBx 1.0 1.8 3.685 339 225 A 9 GLY HAx A 12 LEU HBx 1.0 1.8 3.685 340 225 A 12 LEU HBy A 9 GLY HAx 1.0 1.8 3.685 341 225 A 9 GLY HAy A 12 LEU HBy 1.0 1.8 3.685 342 226 A 12 LEU H A 9 GLY HAx 1.0 1.8 4.035 343 226 A 9 GLY HAy A 12 LEU H 1.0 1.8 4.035 344 227 A 10 ALA HA A 12 LEU HBx 1.0 1.8 3.282 345 227 A 10 ALA HA A 12 LEU HBy 1.0 1.8 3.282 346 228 A 12 LEU HA A 11 VAL HGx% 1.0 1.8 4.183 347 228 A 11 VAL HG21 A 12 LEU HA 1.0 1.8 4.183 348 229 A 11 VAL HA A 12 LEU H 1.0 1.8 3.878 349 230 A 11 VAL HA A 12 LEU H 1.0 1.8 3.649 350 231 A 11 VAL HB A 12 LEU H 1.0 1.8 3.382 351 232 A 12 LEU H A 11 VAL HGx% 1.0 1.8 3.573 352 232 A 11 VAL HG21 A 12 LEU H 1.0 1.8 3.573 353 233 A 12 LEU H A 11 VAL HGx% 1.0 1.8 4.364 354 233 A 11 VAL HG21 A 12 LEU H 1.0 1.8 4.364 355 234 A 11 VAL H A 12 LEU H 1.0 1.8 3.145 356 235 A 11 VAL H A 12 LEU H 1.0 1.8 3.122 357 236 A 12 LEU HA A 12 LEU HBx 1.0 1.8 2.559 358 236 A 12 LEU HBy A 12 LEU HA 1.0 1.8 2.559 359 237 A 12 LEU H A 12 LEU HA 1.0 1.8 3.093 360 238 A 12 LEU H A 12 LEU HBx 1.0 1.8 4.172 361 238 A 12 LEU HBy A 12 LEU H 1.0 1.8 4.172 362 239 A 12 LEU H A 12 LEU HBx 1.0 1.8 4.081 363 239 A 12 LEU HBy A 12 LEU H 1.0 1.8 4.081 364 240 A 12 LEU H A 12 LEU HDx% 1.0 1.8 6.000 365 240 A 12 LEU H A 12 LEU HD21 1.0 1.8 6.000 366 241 A 10 ALA HA A 13 LYS HBx 1.0 1.8 3.627 367 241 A 10 ALA HA A 13 LYS HBy 1.0 1.8 3.627 368 242 A 11 VAL HA A 13 LYS HBx 1.0 1.8 4.187 369 242 A 11 VAL HA A 13 LYS HBy 1.0 1.8 4.187 370 243 A 13 LYS H A 11 VAL HGx% 1.0 1.8 4.112 371 243 A 11 VAL HG21 A 13 LYS H 1.0 1.8 4.112 372 244 A 13 LYS H A 11 VAL HGx% 1.0 1.8 5.050 373 244 A 11 VAL HG21 A 13 LYS H 1.0 1.8 5.050 374 245 A 13 LYS H A 12 LEU HDx% 1.0 1.8 6.000 375 245 A 12 LEU HD21 A 13 LYS H 1.0 1.8 6.000 376 246 A 12 LEU H A 13 LYS H 1.0 1.8 2.653 377 247 A 12 LEU H A 13 LYS H 1.0 1.8 2.670 378 248 A 13 LYS HA A 13 LYS HBx 1.0 1.8 3.244 379 248 A 13 LYS HBy A 13 LYS HA 1.0 1.8 3.244 380 249 A 13 LYS HBx A 13 LYS HEx 1.0 1.8 3.607 381 249 A 13 LYS HBy A 13 LYS HEx 1.0 1.8 3.607 382 249 A 13 LYS HEy A 13 LYS HBx 1.0 1.8 3.607 383 249 A 13 LYS HBy A 13 LYS HEy 1.0 1.8 3.607 384 250 A 13 LYS H A 13 LYS HA 1.0 1.8 2.749 385 251 A 13 LYS H A 13 LYS HBx 1.0 1.8 2.305 386 251 A 13 LYS HBy A 13 LYS H 1.0 1.8 2.305 387 252 A 10 ALA HB% A 14 VAL H 1.0 1.8 4.235 388 253 A 11 VAL HA A 14 VAL H 1.0 1.8 4.136 389 254 A 11 VAL HA A 14 VAL H 1.0 1.8 3.994 390 255 A 12 LEU H A 14 VAL H 1.0 1.8 5.453 391 256 A 13 LYS H A 14 VAL HB 1.0 1.8 4.049 392 257 A 14 VAL H A 13 LYS HBx 1.0 1.8 3.151 393 257 A 13 LYS HBy A 14 VAL H 1.0 1.8 3.151 394 258 A 13 LYS H A 14 VAL H 1.0 1.8 3.451 395 259 A 13 LYS H A 14 VAL H 1.0 1.8 3.328 396 260 A 14 VAL HB A 14 VAL HA 1.0 1.8 2.992 397 261 A 14 VAL HA A 14 VAL HGx% 1.0 1.8 3.202 398 261 A 14 VAL HA A 14 VAL HG21 1.0 1.8 3.202 399 262 A 14 VAL HA A 14 VAL HGx% 1.0 1.8 3.413 400 262 A 14 VAL HA A 14 VAL HG21 1.0 1.8 3.413 401 263 A 14 VAL HB A 14 VAL HGx% 1.0 1.8 2.905 402 263 A 14 VAL HB A 14 VAL HG21 1.0 1.8 2.905 403 264 A 14 VAL H A 14 VAL HA 1.0 1.8 2.846 404 265 A 14 VAL H A 14 VAL HA 1.0 1.8 2.696 405 266 A 14 VAL H A 14 VAL HB 1.0 1.8 2.933 406 267 A 14 VAL H A 14 VAL HB 1.0 1.8 3.062 407 268 A 14 VAL H A 14 VAL HGx% 1.0 1.8 6.000 408 268 A 14 VAL H A 14 VAL HG21 1.0 1.8 6.000 409 269 A 14 VAL H A 14 VAL HGx% 1.0 1.8 6.000 410 269 A 14 VAL H A 14 VAL HG21 1.0 1.8 6.000 411 270 A 11 VAL HA A 15 LEU H 1.0 1.8 5.861 412 271 A 14 VAL H A 15 LEU HBx 1.0 1.8 3.851 413 271 A 14 VAL H A 15 LEU HBy 1.0 1.8 3.851 414 272 A 14 VAL HA A 15 LEU H 1.0 1.8 3.250 415 273 A 14 VAL H A 15 LEU H 1.0 1.8 3.072 416 274 A 14 VAL H A 15 LEU H 1.0 1.8 3.013 417 275 A 15 LEU HA A 15 LEU HBx 1.0 1.8 2.723 418 275 A 15 LEU HBy A 15 LEU HA 1.0 1.8 2.723 419 276 A 15 LEU HA A 15 LEU HDx% 1.0 1.8 2.808 420 276 A 15 LEU HA A 15 LEU HD21 1.0 1.8 2.808 421 277 A 15 LEU H A 15 LEU HA 1.0 1.8 3.259 422 278 A 15 LEU H A 15 LEU HA 1.0 1.8 3.034 423 279 A 15 LEU H A 15 LEU HBx 1.0 1.8 2.564 424 279 A 15 LEU H A 15 LEU HBy 1.0 1.8 2.564 425 280 A 15 LEU H A 15 LEU HDx% 1.0 1.8 6.000 426 280 A 15 LEU H A 15 LEU HD21 1.0 1.8 6.000 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_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 LYS C A 2 TRP N A 2 TRP CA A 2 TRP C 1.0 -98.0 -38.0 PHI 2 2 A 3 LYS C A 4 LEU N A 4 LEU CA A 4 LEU C 1.0 -97.0 -37.0 PHI 3 3 A 4 LEU N A 4 LEU CA A 4 LEU C A 5 PHE N 1.0 -67.0 -7.0 PSI 4 4 A 4 LEU C A 5 PHE N A 5 PHE CA A 5 PHE C 1.0 -97.0 -37.0 PHI 5 5 A 5 PHE N A 5 PHE CA A 5 PHE C A 6 LYS N 1.0 -69.0 -9.0 PSI 6 6 A 5 PHE C A 6 LYS N A 6 LYS CA A 6 LYS C 1.0 -97.0 -37.0 PHI 7 7 A 6 LYS N A 6 LYS CA A 6 LYS C A 7 LYS N 1.0 -62.0 -2.0 PSI 8 8 A 6 LYS C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -101.0 -41.0 PHI 9 9 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 ILE N 1.0 -65.0 -5.0 PSI 10 10 A 7 LYS C A 8 ILE N A 8 ILE CA A 8 ILE C 1.0 -103.0 -43.0 PHI 11 11 A 8 ILE N A 8 ILE CA A 8 ILE C A 9 GLY N 1.0 -57.0 3.0 PSI 12 12 A 8 ILE C A 9 GLY N A 9 GLY CA A 9 GLY C 1.0 -100.0 -40.0 PHI 13 13 A 9 GLY N A 9 GLY CA A 9 GLY C A 10 ALA N 1.0 -69.0 -9.0 PSI 14 14 A 9 GLY C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -102.0 -42.0 PHI 15 15 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 VAL N 1.0 -60.0 0.0 PSI 16 16 A 10 ALA C A 11 VAL N A 11 VAL CA A 11 VAL C 1.0 -105.0 -45.0 PHI 17 17 A 11 VAL N A 11 VAL CA A 11 VAL C A 12 LEU N 1.0 -59.0 1.0 PSI 18 18 A 11 VAL C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -96.0 -36.0 PHI 19 19 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 LYS N 1.0 -70.0 -10.0 PSI 20 20 A 12 LEU C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -100.0 -40.0 PHI 21 21 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 VAL N 1.0 -62.0 -2.0 PSI 22 22 A 13 LYS C A 14 VAL N A 14 VAL CA A 14 VAL C 1.0 -115.0 -47.0 PHI 23 23 A 14 VAL N A 14 VAL CA A 14 VAL C A 15 LEU N 1.0 -64.0 20.0 PSI stop_ save_