data_nef_c26057_2nde save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 26055 PDB 2NDE stop_ 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 ILE start . . 2 A 2 GLY middle . false 3 A 3 LEU middle . . 4 A 4 ARG middle . . 5 A 5 GLY middle . false 6 A 6 LEU middle . . 7 A 7 GLY middle . false 8 A 8 ARG middle . . 9 A 9 LYS middle . . 10 A 10 ILE middle . . 11 A 11 ALA middle . . 12 A 12 LEU middle . . 13 A 13 ILE middle . . 14 A 14 HIS middle . . 15 A 15 LYS middle . . 16 A 16 LYS middle . . 17 A 17 TYR middle . . 18 A 18 GLY end . false 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 ILE HA H 1 4.072 0.003 A 1 ILE HB H 1 2.025 0.007 A 1 ILE HD1% H 1 0.807 0.000 A 1 ILE HG1x H 1 1.281 0.004 A 1 ILE HG1y H 1 1.281 0.004 A 1 ILE HG2% H 1 1.030 0.002 A 1 ILE CB C 13 37.164 0.000 A 1 ILE CD1 C 13 13.560 0.000 A 1 ILE CG1 C 13 25.082 0.000 A 1 ILE CG2 C 13 14.902 0.000 A 2 GLY H H 1 8.193 0.002 A 2 GLY HAy H 1 4.287 0.003 A 2 GLY HAx H 1 4.032 0.002 A 2 GLY CA C 13 43.423 0.000 A 3 LEU H H 1 8.165 0.002 A 3 LEU HA H 1 4.297 0.004 A 3 LEU HBy H 1 1.778 0.007 A 3 LEU HBx H 1 1.661 0.003 A 3 LEU HDx% H 1 0.914 0.003 A 3 LEU HDy% H 1 0.990 0.004 A 3 LEU CA C 13 54.549 0.000 A 3 LEU CB C 13 40.522 0.017 A 3 LEU CDx C 13 21.847 0.000 A 3 LEU CDy C 13 22.711 0.000 A 4 ARG H H 1 8.213 0.003 A 4 ARG HA H 1 4.106 0.003 A 4 ARG HBx H 1 1.904 0.008 A 4 ARG HBy H 1 1.938 0.010 A 4 ARG HDx H 1 3.249 0.005 A 4 ARG HDy H 1 3.249 0.005 A 4 ARG HE H 1 7.146 0.002 A 4 ARG HGy H 1 1.777 0.008 A 4 ARG HGx H 1 1.669 0.009 A 4 ARG CA C 13 56.241 0.000 A 4 ARG CB C 13 30.345 0.025 A 4 ARG CD C 13 41.240 0.000 A 5 GLY H H 1 8.290 0.002 A 5 GLY HAy H 1 4.121 0.003 A 5 GLY HAx H 1 3.909 0.005 A 5 GLY CA C 13 44.241 0.020 A 6 LEU H H 1 8.087 0.004 A 6 LEU HA H 1 4.150 0.004 A 6 LEU HBx H 1 1.724 0.005 A 6 LEU HBy H 1 1.876 0.008 A 6 LEU HDx% H 1 0.937 0.005 A 6 LEU HDy% H 1 1.004 0.002 A 6 LEU CA C 13 55.648 0.000 A 6 LEU CB C 13 40.067 0.055 A 6 LEU CDy C 13 22.598 0.000 A 6 LEU CDx C 13 22.570 0.000 A 7 GLY H H 1 8.512 0.002 A 7 GLY HAy H 1 3.866 0.005 A 7 GLY HAx H 1 3.702 0.005 A 7 GLY CA C 13 45.379 0.005 A 8 ARG H H 1 7.806 0.002 A 8 ARG HA H 1 4.151 0.010 A 8 ARG HBx H 1 1.930 0.003 A 8 ARG HBy H 1 1.930 0.003 A 8 ARG HDx H 1 3.255 0.003 A 8 ARG HDy H 1 3.255 0.003 A 8 ARG HE H 1 7.194 0.002 A 8 ARG HGx H 1 1.699 0.003 A 8 ARG HGy H 1 1.823 0.009 A 8 ARG CA C 13 56.560 0.000 A 8 ARG CB C 13 27.926 0.000 A 8 ARG CD C 13 41.450 0.000 A 8 ARG CG C 13 26.776 0.037 A 9 LYS H H 1 7.826 0.000 A 9 LYS HA H 1 3.791 0.003 A 10 ILE H H 1 8.099 0.003 A 10 ILE HA H 1 3.771 0.002 A 10 ILE HB H 1 2.054 0.006 A 10 ILE HD1% H 1 0.882 0.004 A 10 ILE HG1x H 1 1.180 0.010 A 10 ILE HG1y H 1 1.180 0.010 A 10 ILE HG2% H 1 0.958 0.004 A 10 ILE CA C 13 62.700 0.000 A 10 ILE CB C 13 35.645 0.000 A 10 ILE CD1 C 13 11.352 0.000 A 10 ILE CG1 C 13 27.572 0.000 A 10 ILE CG2 C 13 15.801 0.000 A 11 ALA H H 1 8.193 0.003 A 11 ALA HA H 1 4.143 0.004 A 11 ALA HB% H 1 1.561 0.005 A 11 ALA CA C 13 53.065 0.000 A 11 ALA CB C 13 16.410 0.000 A 12 LEU H H 1 7.868 0.004 A 12 LEU HA H 1 4.158 0.003 A 12 LEU HBx H 1 1.703 0.002 A 12 LEU HBy H 1 1.974 0.002 A 12 LEU HDx% H 1 0.970 0.007 A 12 LEU HDy% H 1 0.970 0.007 A 12 LEU CB C 13 40.053 0.000 A 12 LEU CDx C 13 23.303 0.000 A 12 LEU CDy C 13 23.303 0.000 A 13 ILE H H 1 7.939 0.008 A 13 ILE HA H 1 3.893 0.004 A 13 ILE HB H 1 2.096 0.005 A 13 ILE HD1% H 1 0.949 0.006 A 13 ILE HG1x H 1 1.324 0.005 A 13 ILE HG1y H 1 1.324 0.005 A 13 ILE HG2% H 1 1.023 0.005 A 13 ILE CA C 13 62.210 0.000 A 13 ILE CB C 13 36.118 0.000 A 13 ILE CD1 C 13 11.708 0.000 A 13 ILE CG1 C 13 25.391 0.000 A 13 ILE CG2 C 13 16.002 0.000 A 14 HIS H H 1 8.306 0.008 A 14 HIS HA H 1 4.529 0.006 A 14 HIS HBx H 1 3.183 0.005 A 14 HIS HBy H 1 3.465 0.005 A 14 HIS HD2 H 1 7.353 0.003 A 14 HIS HE2 H 1 8.707 0.005 A 14 HIS CA C 13 55.534 0.000 A 14 HIS CB C 13 26.655 0.094 A 14 HIS CD2 C 13 118.218 0.000 A 15 LYS H H 1 8.046 0.005 A 15 LYS HA H 1 4.067 0.006 A 15 LYS HBx H 1 1.900 0.005 A 15 LYS HBy H 1 1.900 0.005 A 15 LYS HDx H 1 1.704 0.005 A 15 LYS HDy H 1 1.704 0.005 A 15 LYS HEx H 1 3.011 0.004 A 15 LYS HEy H 1 3.011 0.004 A 15 LYS HGx H 1 1.469 0.005 A 15 LYS HGy H 1 1.563 0.003 A 15 LYS CA C 13 58.353 0.000 A 15 LYS CB C 13 27.857 0.000 A 15 LYS CD C 13 27.059 0.000 A 15 LYS CE C 13 40.291 0.000 A 15 LYS CG C 13 23.157 0.075 A 16 LYS H H 1 7.896 0.003 A 16 LYS HA H 1 4.083 0.004 A 16 LYS HBy H 1 1.713 0.005 A 16 LYS HBx H 1 1.619 0.009 A 16 LYS HDx H 1 1.572 0.006 A 16 LYS HDy H 1 1.572 0.006 A 16 LYS HEx H 1 2.919 0.005 A 16 LYS HEy H 1 2.919 0.005 A 16 LYS HGx H 1 1.217 0.006 A 16 LYS HGy H 1 1.217 0.006 A 16 LYS CA C 13 56.034 0.000 A 16 LYS CB C 13 30.887 0.033 A 16 LYS CD C 13 27.176 0.000 A 16 LYS CE C 13 40.263 0.000 A 16 LYS CG C 13 22.450 0.000 A 17 TYR H H 1 7.926 0.004 A 17 TYR HA H 1 4.636 0.005 A 17 TYR HBy H 1 3.238 0.004 A 17 TYR HBx H 1 2.768 0.005 A 17 TYR HDx H 1 7.229 0.002 A 17 TYR HDy H 1 7.229 0.002 A 17 TYR HEx H 1 6.808 0.004 A 17 TYR HEy H 1 6.808 0.004 A 17 TYR CA C 13 56.426 0.000 A 17 TYR CB C 13 37.428 0.019 A 17 TYR CDx C 13 131.298 0.000 A 17 TYR CDy C 13 131.298 0.000 A 17 TYR CEx C 13 115.841 0.000 A 17 TYR CEy C 13 115.841 0.000 A 18 GLY H H 1 7.764 0.002 A 18 GLY HAy H 1 3.813 0.006 A 18 GLY HAx H 1 3.660 0.005 A 18 GLY CA C 13 44.295 0.012 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 1 ILE HA A 1 ILE HG2% 1.0 0.0 6.5 2 2 A 5 GLY H A 2 GLY HAy 1.0 0.0 6.5 3 2 A 2 GLY HAx A 5 GLY H 1.0 0.0 6.5 4 3 A 3 LEU H A 3 LEU HBy 1.0 0.0 6.5 5 4 A 3 LEU H A 3 LEU HBx 1.0 0.0 6.5 6 5 A 3 LEU HA A 3 LEU HDx% 1.0 0.0 6.5 7 6 A 3 LEU HA A 3 LEU HDy% 1.0 0.0 6.5 8 7 A 3 LEU HA A 7 GLY H 1.0 0.0 6.5 9 8 A 7 GLY H A 3 LEU HDx% 1.0 0.0 6.5 10 9 A 7 GLY H A 3 LEU HDy% 1.0 0.0 6.5 11 10 A 3 LEU HA A 4 ARG HE 1.0 0.0 6.5 12 11 A 4 ARG HE A 3 LEU HDx% 1.0 0.0 6.5 13 11 A 4 ARG HE A 3 LEU HDy% 1.0 0.0 6.5 14 12 A 4 ARG HE A 4 ARG H 1.0 0.0 6.5 15 13 A 4 ARG H A 4 ARG HGy 1.0 0.0 6.5 16 14 A 4 ARG H A 4 ARG HGx 1.0 0.0 6.5 17 15 A 4 ARG H A 4 ARG HGx 1.0 0.0 5.5 18 15 A 4 ARG H A 4 ARG HGy 1.0 0.0 5.5 19 16 A 5 GLY H A 4 ARG H 1.0 0.0 6.5 20 17 A 7 GLY H A 4 ARG H 1.0 0.0 6.5 21 18 A 4 ARG HE A 4 ARG HA 1.0 0.0 6.5 22 19 A 4 ARG HA A 7 GLY HAy 1.0 0.0 6.5 23 19 A 4 ARG HA A 7 GLY HAx 1.0 0.0 6.5 24 20 A 4 ARG HA A 8 ARG H 1.0 0.0 6.5 25 21 A 5 GLY H A 4 ARG HGy 1.0 0.0 6.5 26 22 A 5 GLY H A 4 ARG HGx 1.0 0.0 6.5 27 23 A 4 ARG HE A 4 ARG HBx 1.0 0.0 6.5 28 23 A 4 ARG HE A 4 ARG HBy 1.0 0.0 6.5 29 24 A 5 GLY H A 4 ARG HBx 1.0 0.0 6.5 30 24 A 5 GLY H A 4 ARG HBy 1.0 0.0 6.5 31 25 A 4 ARG HBy A 5 GLY HAy 1.0 0.0 6.5 32 25 A 4 ARG HBx A 5 GLY HAy 1.0 0.0 6.5 33 25 A 5 GLY HAx A 4 ARG HBx 1.0 0.0 6.5 34 25 A 4 ARG HBy A 5 GLY HAx 1.0 0.0 6.5 35 26 A 4 ARG HBy A 7 GLY HAy 1.0 0.0 6.5 36 26 A 4 ARG HBx A 7 GLY HAy 1.0 0.0 6.5 37 26 A 7 GLY HAx A 4 ARG HBx 1.0 0.0 6.5 38 26 A 7 GLY HAx A 4 ARG HBy 1.0 0.0 6.5 39 27 A 4 ARG HE A 4 ARG HA 1.0 0.0 6.5 40 28 A 4 ARG HA A 8 ARG HE 1.0 0.0 6.5 41 29 A 9 LYS H A 4 ARG HBx 1.0 0.0 6.5 42 29 A 4 ARG HBy A 9 LYS H 1.0 0.0 6.5 43 30 A 4 ARG HBy A 7 GLY HAy 1.0 0.0 6.5 44 30 A 4 ARG HBx A 7 GLY HAy 1.0 0.0 6.5 45 30 A 7 GLY HAx A 4 ARG HBx 1.0 0.0 6.5 46 30 A 7 GLY HAx A 4 ARG HBy 1.0 0.0 6.5 47 31 A 5 GLY H A 6 LEU H 1.0 0.0 6.5 48 32 A 5 GLY H A 7 GLY H 1.0 0.0 6.5 49 33 A 6 LEU H A 5 GLY HAy 1.0 0.0 5.5 50 33 A 5 GLY HAx A 6 LEU H 1.0 0.0 5.5 51 34 A 6 LEU H A 6 LEU HBx 1.0 0.0 5.5 52 35 A 6 LEU H A 6 LEU HBy 1.0 0.0 6.5 53 36 A 7 GLY H A 6 LEU H 1.0 0.0 6.5 54 37 A 8 ARG H A 6 LEU H 1.0 0.0 6.5 55 38 A 6 LEU HA A 6 LEU HDx% 1.0 0.0 5.5 56 39 A 6 LEU HA A 6 LEU HDy% 1.0 0.0 5.5 57 40 A 6 LEU HA A 6 LEU HDx% 1.0 0.0 5.0 58 40 A 6 LEU HA A 6 LEU HDy% 1.0 0.0 5.0 59 41 A 7 GLY H A 6 LEU HBx 1.0 0.0 6.5 60 42 A 7 GLY H A 6 LEU HBy 1.0 0.0 6.5 61 43 A 17 TYR HD% A 6 LEU HBx 1.0 0.0 6.5 62 43 A 6 LEU HBy A 17 TYR HD% 1.0 0.0 6.5 63 44 A 17 TYR HE% A 6 LEU HBx 1.0 0.0 6.5 64 44 A 6 LEU HBy A 17 TYR HE% 1.0 0.0 6.5 65 45 A 7 GLY H A 6 LEU HBx 1.0 0.0 6.5 66 45 A 7 GLY H A 6 LEU HBy 1.0 0.0 6.5 67 46 A 6 LEU HBy A 14 HIS HBy 1.0 0.0 6.5 68 46 A 6 LEU HBx A 14 HIS HBy 1.0 0.0 6.5 69 46 A 14 HIS HBx A 6 LEU HBx 1.0 0.0 6.5 70 46 A 6 LEU HBy A 14 HIS HBx 1.0 0.0 6.5 71 47 A 6 LEU HDx% A 17 TYR HBx 1.0 0.0 6.5 72 47 A 6 LEU HDy% A 17 TYR HBx 1.0 0.0 6.5 73 47 A 17 TYR HBy A 6 LEU HDx% 1.0 0.0 6.5 74 47 A 6 LEU HDy% A 17 TYR HBy 1.0 0.0 6.5 75 48 A 7 GLY H A 8 ARG H 1.0 0.0 6.5 76 49 A 7 GLY H A 9 LYS H 1.0 0.0 6.5 77 50 A 10 ILE H A 7 GLY HAy 1.0 0.0 6.5 78 50 A 7 GLY HAx A 10 ILE H 1.0 0.0 6.5 79 51 A 10 ILE HB A 7 GLY HAy 1.0 0.0 6.5 80 51 A 7 GLY HAx A 10 ILE HB 1.0 0.0 6.5 81 52 A 10 ILE HD1% A 7 GLY HAy 1.0 0.0 6.5 82 52 A 7 GLY HAx A 10 ILE HD1% 1.0 0.0 6.5 83 53 A 10 ILE HG2% A 7 GLY HAy 1.0 0.0 6.5 84 53 A 7 GLY HAx A 10 ILE HG2% 1.0 0.0 6.5 85 54 A 11 ALA H A 7 GLY HAy 1.0 0.0 6.5 86 54 A 7 GLY HAx A 11 ALA H 1.0 0.0 6.5 87 55 A 7 GLY HAx A 16 LYS HBy 1.0 0.0 6.5 88 55 A 7 GLY HAy A 16 LYS HBy 1.0 0.0 6.5 89 55 A 16 LYS HBx A 7 GLY HAy 1.0 0.0 6.5 90 55 A 7 GLY HAx A 16 LYS HBx 1.0 0.0 6.5 91 56 A 17 TYR H A 7 GLY HAy 1.0 0.0 6.5 92 56 A 7 GLY HAx A 17 TYR H 1.0 0.0 6.5 93 57 A 7 GLY HAx A 8 ARG HGx 1.0 0.0 6.5 94 57 A 7 GLY HAy A 8 ARG HGx 1.0 0.0 6.5 95 57 A 8 ARG HGy A 7 GLY HAy 1.0 0.0 6.5 96 57 A 7 GLY HAx A 8 ARG HGy 1.0 0.0 6.5 97 58 A 10 ILE HB A 7 GLY HAy 1.0 0.0 6.5 98 58 A 7 GLY HAx A 10 ILE HB 1.0 0.0 6.5 99 59 A 7 GLY HAy A 8 ARG HGx 1.0 0.0 6.5 100 59 A 7 GLY HAx A 8 ARG HGx 1.0 0.0 6.5 101 59 A 8 ARG HGy A 7 GLY HAy 1.0 0.0 6.5 102 59 A 7 GLY HAx A 8 ARG HGy 1.0 0.0 6.5 103 60 A 8 ARG H A 10 ILE H 1.0 0.0 6.5 104 61 A 8 ARG H A 8 ARG HGx 1.0 0.0 6.5 105 61 A 8 ARG H A 8 ARG HGy 1.0 0.0 6.5 106 62 A 8 ARG HA A 9 LYS HA 1.0 0.0 6.5 107 63 A 8 ARG HE A 8 ARG HGx 1.0 0.0 6.5 108 63 A 8 ARG HE A 8 ARG HGy 1.0 0.0 6.5 109 64 A 10 ILE H A 10 ILE HB 1.0 0.0 6.5 110 65 A 10 ILE H A 10 ILE HG2% 1.0 0.0 6.5 111 66 A 10 ILE H A 11 ALA H 1.0 0.0 6.5 112 67 A 10 ILE HD1% A 10 ILE HA 1.0 0.0 6.5 113 68 A 10 ILE HG2% A 10 ILE HA 1.0 0.0 5.5 114 69 A 10 ILE HA A 11 ALA HB% 1.0 0.0 6.5 115 70 A 10 ILE HA A 13 ILE H 1.0 0.0 6.5 116 71 A 10 ILE HA A 13 ILE HG2% 1.0 0.0 6.5 117 72 A 10 ILE HA A 14 HIS H 1.0 0.0 6.5 118 73 A 10 ILE HB A 10 ILE HD1% 1.0 0.0 6.5 119 74 A 10 ILE HB A 11 ALA H 1.0 0.0 6.5 120 75 A 14 HIS HBx A 10 ILE HB 1.0 0.0 6.5 121 76 A 10 ILE HB A 14 HIS HBy 1.0 0.0 6.5 122 77 A 10 ILE HG2% A 11 ALA H 1.0 0.0 6.5 123 78 A 10 ILE HG2% A 11 ALA HB% 1.0 0.0 6.5 124 79 A 10 ILE HG2% A 12 LEU H 1.0 0.0 6.5 125 80 A 11 ALA H A 10 ILE HA 1.0 0.0 5.5 126 81 A 11 ALA H A 11 ALA HB% 1.0 0.0 5.5 127 82 A 11 ALA H A 12 LEU H 1.0 0.0 6.5 128 83 A 14 HIS H A 11 ALA HA 1.0 0.0 6.5 129 84 A 14 HIS HBx A 11 ALA HA 1.0 0.0 6.5 130 85 A 11 ALA HA A 14 HIS HBy 1.0 0.0 6.5 131 86 A 11 ALA HA A 14 HIS HBy 1.0 0.0 6.5 132 86 A 14 HIS HBx A 11 ALA HA 1.0 0.0 6.5 133 87 A 17 TYR HE% A 11 ALA HA 1.0 0.0 6.5 134 88 A 11 ALA HB% A 14 HIS H 1.0 0.0 6.5 135 89 A 14 HIS HBx A 11 ALA HB% 1.0 0.0 6.5 136 90 A 11 ALA HB% A 14 HIS HBy 1.0 0.0 6.5 137 91 A 11 ALA HB% A 14 HIS HBy 1.0 0.0 6.5 138 91 A 14 HIS HBx A 11 ALA HB% 1.0 0.0 6.5 139 92 A 11 ALA HB% A 14 HIS HBy 1.0 0.0 6.5 140 93 A 12 LEU H A 12 LEU HBx 1.0 0.0 6.5 141 93 A 12 LEU H A 12 LEU HBy 1.0 0.0 6.5 142 94 A 12 LEU HA A 15 LYS H 1.0 0.0 6.5 143 95 A 13 ILE H A 12 LEU HBx 1.0 0.0 6.5 144 95 A 13 ILE H A 12 LEU HBy 1.0 0.0 6.5 145 96 A 13 ILE H A 13 ILE HB 1.0 0.0 6.5 146 97 A 13 ILE H A 13 ILE HG2% 1.0 0.0 6.5 147 98 A 13 ILE H A 14 HIS H 1.0 0.0 6.5 148 99 A 13 ILE HA A 13 ILE HD1% 1.0 0.0 6.5 149 100 A 13 ILE HG2% A 13 ILE HA 1.0 0.0 5.5 150 101 A 13 ILE HA A 14 HIS HBy 1.0 0.0 6.5 151 101 A 14 HIS HBx A 13 ILE HA 1.0 0.0 6.5 152 102 A 13 ILE HA A 16 LYS H 1.0 0.0 6.5 153 103 A 13 ILE HA A 16 LYS HBy 1.0 0.0 6.5 154 103 A 16 LYS HBx A 13 ILE HA 1.0 0.0 6.5 155 104 A 13 ILE HB A 13 ILE HD1% 1.0 0.0 5.5 156 105 A 14 HIS H A 13 ILE HB 1.0 0.0 6.5 157 106 A 13 ILE HB A 16 LYS H 1.0 0.0 6.5 158 107 A 14 HIS H A 13 ILE HD1% 1.0 0.0 6.5 159 108 A 13 ILE HD1% A 14 HIS HBy 1.0 0.0 6.5 160 108 A 14 HIS HBx A 13 ILE HD1% 1.0 0.0 6.5 161 109 A 13 ILE HD1% A 16 LYS H 1.0 0.0 6.5 162 110 A 17 TYR HD% A 13 ILE HD1% 1.0 0.0 6.5 163 111 A 17 TYR HE% A 13 ILE HD1% 1.0 0.0 6.5 164 112 A 13 ILE HG2% A 14 HIS H 1.0 0.0 6.5 165 113 A 14 HIS HBx A 13 ILE HG2% 1.0 0.0 6.5 166 114 A 13 ILE HG2% A 14 HIS HBy 1.0 0.0 6.5 167 115 A 13 ILE HG2% A 14 HIS HD2 1.0 0.0 6.5 168 116 A 13 ILE HG2% A 14 HIS HBy 1.0 0.0 6.5 169 116 A 14 HIS HBx A 13 ILE HG2% 1.0 0.0 6.5 170 117 A 13 ILE HG2% A 17 TYR HBx 1.0 0.0 6.5 171 117 A 17 TYR HBy A 13 ILE HG2% 1.0 0.0 6.5 172 118 A 17 TYR HD% A 13 ILE HG2% 1.0 0.0 6.5 173 119 A 17 TYR HE% A 13 ILE HG2% 1.0 0.0 6.5 174 120 A 13 ILE HA A 14 HIS HBy 1.0 0.0 6.5 175 120 A 14 HIS HBx A 13 ILE HA 1.0 0.0 6.5 176 121 A 13 ILE HD1% A 14 HIS HA 1.0 0.0 6.5 177 122 A 13 ILE HG2% A 14 HIS HA 1.0 0.0 6.5 178 123 A 14 HIS HBx A 13 ILE HG2% 1.0 0.0 6.5 179 124 A 13 ILE HG2% A 14 HIS HBy 1.0 0.0 6.5 180 125 A 13 ILE HG2% A 17 TYR HBx 1.0 0.0 6.5 181 125 A 17 TYR HBy A 13 ILE HG2% 1.0 0.0 6.5 182 126 A 14 HIS H A 14 HIS HD2 1.0 0.0 6.5 183 127 A 14 HIS H A 16 LYS H 1.0 0.0 6.5 184 128 A 17 TYR HD% A 14 HIS HA 1.0 0.0 6.5 185 129 A 17 TYR HE% A 14 HIS HA 1.0 0.0 6.5 186 130 A 15 LYS H A 14 HIS HD2 1.0 0.0 6.5 187 131 A 14 HIS HD2 A 17 TYR HBx 1.0 0.0 6.5 188 131 A 17 TYR HBy A 14 HIS HD2 1.0 0.0 6.5 189 132 A 14 HIS HD2 A 18 GLY HAy 1.0 0.0 6.5 190 133 A 14 HIS HD2 A 18 GLY HAx 1.0 0.0 6.5 191 134 A 15 LYS HA A 14 HIS HBy 1.0 0.0 6.5 192 134 A 14 HIS HBx A 15 LYS HA 1.0 0.0 6.5 193 135 A 17 TYR HE% A 14 HIS HBy 1.0 0.0 6.5 194 135 A 17 TYR HE% A 14 HIS HBx 1.0 0.0 6.5 195 136 A 14 HIS H A 14 HIS HD2 1.0 0.0 6.5 196 137 A 14 HIS H A 15 LYS H 1.0 0.0 6.5 197 138 A 17 TYR H A 14 HIS H 1.0 0.0 6.5 198 139 A 14 HIS HD2 A 14 HIS HA 1.0 0.0 6.5 199 140 A 17 TYR H A 14 HIS HA 1.0 0.0 6.5 200 141 A 17 TYR HD% A 14 HIS HA 1.0 0.0 6.5 201 142 A 14 HIS HA A 18 GLY H 1.0 0.0 6.5 202 143 A 14 HIS HBx A 15 LYS H 1.0 0.0 6.5 203 144 A 15 LYS H A 14 HIS HBy 1.0 0.0 6.5 204 145 A 15 LYS H A 14 HIS HD2 1.0 0.0 6.5 205 146 A 14 HIS HD2 A 15 LYS HGx 1.0 0.0 6.5 206 146 A 14 HIS HD2 A 15 LYS HGy 1.0 0.0 6.5 207 147 A 17 TYR H A 14 HIS HD2 1.0 0.0 6.5 208 148 A 14 HIS HD2 A 18 GLY H 1.0 0.0 6.5 209 149 A 14 HIS HD2 A 18 GLY HAy 1.0 0.0 6.5 210 150 A 14 HIS HD2 A 18 GLY HAx 1.0 0.0 6.5 211 151 A 14 HIS HD2 A 18 GLY HAy 1.0 0.0 6.5 212 151 A 14 HIS HD2 A 18 GLY HAx 1.0 0.0 6.5 213 152 A 16 LYS H A 14 HIS HBy 1.0 0.0 6.5 214 152 A 14 HIS HBx A 16 LYS H 1.0 0.0 6.5 215 153 A 17 TYR H A 14 HIS HBy 1.0 0.0 6.5 216 153 A 14 HIS HBx A 17 TYR H 1.0 0.0 6.5 217 154 A 15 LYS H A 15 LYS HGx 1.0 0.0 6.5 218 155 A 15 LYS H A 15 LYS HGx 1.0 0.0 6.5 219 155 A 15 LYS H A 15 LYS HGy 1.0 0.0 6.5 220 156 A 15 LYS H A 16 LYS H 1.0 0.0 6.5 221 157 A 15 LYS HA A 15 LYS HGx 1.0 0.0 6.5 222 158 A 15 LYS HA A 15 LYS HGy 1.0 0.0 6.5 223 159 A 15 LYS HA A 15 LYS HGx 1.0 0.0 5.5 224 159 A 15 LYS HA A 15 LYS HGy 1.0 0.0 5.5 225 160 A 15 LYS HA A 18 GLY H 1.0 0.0 6.5 226 161 A 16 LYS HA A 15 LYS HGx 1.0 0.0 6.5 227 162 A 15 LYS HGy A 16 LYS HA 1.0 0.0 6.5 228 163 A 16 LYS H A 15 LYS HGx 1.0 0.0 5.5 229 163 A 16 LYS H A 15 LYS HGy 1.0 0.0 5.5 230 164 A 16 LYS HA A 15 LYS HGx 1.0 0.0 6.5 231 164 A 15 LYS HGy A 16 LYS HA 1.0 0.0 6.5 232 165 A 16 LYS H A 16 LYS HBy 1.0 0.0 6.5 233 166 A 16 LYS HBx A 16 LYS H 1.0 0.0 6.5 234 167 A 16 LYS H A 16 LYS HBy 1.0 0.0 5.5 235 167 A 16 LYS HBx A 16 LYS H 1.0 0.0 5.5 236 168 A 17 TYR HD% A 16 LYS HA 1.0 0.0 6.5 237 169 A 17 TYR HE% A 16 LYS HA 1.0 0.0 6.5 238 170 A 17 TYR HD% A 16 LYS HBy 1.0 0.0 6.5 239 171 A 17 TYR HE% A 16 LYS HBy 1.0 0.0 6.5 240 172 A 16 LYS HBx A 17 TYR H 1.0 0.0 6.5 241 173 A 17 TYR HE% A 16 LYS HBx 1.0 0.0 6.5 242 174 A 16 LYS HBx A 16 LYS HEx 1.0 0.0 6.5 243 174 A 16 LYS HBy A 16 LYS HEx 1.0 0.0 6.5 244 174 A 16 LYS HEy A 16 LYS HBy 1.0 0.0 6.5 245 174 A 16 LYS HBx A 16 LYS HEy 1.0 0.0 6.5 246 175 A 17 TYR H A 16 LYS HBy 1.0 0.0 6.5 247 175 A 16 LYS HBx A 17 TYR H 1.0 0.0 6.5 248 176 A 17 TYR HD% A 16 LYS HBy 1.0 0.0 6.5 249 176 A 17 TYR HD% A 16 LYS HBx 1.0 0.0 6.5 250 177 A 16 LYS H A 16 LYS HA 1.0 0.0 5.5 251 178 A 17 TYR H A 16 LYS HA 1.0 0.0 6.5 252 179 A 16 LYS HBy A 17 TYR HBx 1.0 0.0 6.5 253 179 A 16 LYS HBx A 17 TYR HBx 1.0 0.0 6.5 254 179 A 17 TYR HBy A 16 LYS HBy 1.0 0.0 6.5 255 179 A 17 TYR HBy A 16 LYS HBx 1.0 0.0 6.5 256 180 A 17 TYR HBy A 17 TYR H 1.0 0.0 6.5 257 181 A 17 TYR H A 17 TYR HBx 1.0 0.0 6.5 258 182 A 18 GLY H A 17 TYR HA 1.0 0.0 6.5 259 183 A 17 TYR HBy A 18 GLY H 1.0 0.0 6.5 260 184 A 17 TYR HBy A 18 GLY HAy 1.0 0.0 6.5 261 185 A 17 TYR HBy A 18 GLY HAx 1.0 0.0 6.5 262 186 A 18 GLY H A 17 TYR HBx 1.0 0.0 6.5 263 187 A 17 TYR HBx A 18 GLY HAy 1.0 0.0 6.5 264 188 A 18 GLY HAx A 17 TYR HBx 1.0 0.0 6.5 265 189 A 17 TYR HD% A 18 GLY HAx 1.0 0.0 6.5 266 190 A 17 TYR HD% A 18 GLY HAy 1.0 0.0 6.5 267 190 A 17 TYR HD% A 18 GLY HAx 1.0 0.0 6.5 268 191 A 17 TYR HE% A 18 GLY H 1.0 0.0 6.5 269 192 A 17 TYR HBy A 17 TYR H 1.0 0.0 6.5 270 193 A 17 TYR H A 17 TYR HBx 1.0 0.0 6.5 271 194 A 17 TYR HD% A 17 TYR H 1.0 0.0 6.5 272 195 A 17 TYR HE% A 17 TYR H 1.0 0.0 6.5 273 196 A 17 TYR H A 18 GLY H 1.0 0.0 6.5 274 197 A 17 TYR HD% A 17 TYR HA 1.0 0.0 6.5 275 198 A 17 TYR HBy A 18 GLY H 1.0 0.0 6.5 276 199 A 18 GLY H A 17 TYR HBx 1.0 0.0 6.5 277 200 A 17 TYR HD% A 18 GLY H 1.0 0.0 6.5 278 201 A 18 GLY H A 18 GLY HAy 1.0 0.0 5.0 279 202 A 18 GLY H A 18 GLY HAx 1.0 0.0 5.0 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 GLY C A 3 LEU N A 3 LEU CA A 3 LEU C 1.0 -100.0 -30.0 PHI 2 2 A 3 LEU N A 3 LEU CA A 3 LEU C A 4 ARG N 1.0 110.0 180.0 PSI 3 3 A 3 LEU C A 4 ARG N A 4 ARG CA A 4 ARG C 1.0 -130.0 -60.0 PHI 4 4 A 4 ARG N A 4 ARG CA A 4 ARG C A 5 GLY N 1.0 -30.0 30.0 PSI 5 5 A 4 ARG C A 5 GLY N A 5 GLY CA A 5 GLY C 1.0 50.0 110.0 PHI 6 6 A 5 GLY N A 5 GLY CA A 5 GLY C A 6 LEU N 1.0 -55.0 75.0 PSI 7 7 A 5 GLY C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -100.0 -40.0 PHI 8 8 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 GLY N 1.0 -50.0 10.0 PSI 9 9 A 6 LEU C A 7 GLY N A 7 GLY CA A 7 GLY C 1.0 40.0 110.0 PHI 10 10 A 7 GLY N A 7 GLY CA A 7 GLY C A 8 ARG N 1.0 -30.0 60.0 PSI 11 11 A 8 ARG C A 9 LYS N A 9 LYS CA A 9 LYS C 1.0 -90.0 -40.0 PHI 12 12 A 9 LYS N A 9 LYS CA A 9 LYS C A 10 ILE N 1.0 -70.0 10.0 PSI 13 13 A 9 LYS C A 10 ILE N A 10 ILE CA A 10 ILE C 1.0 -90.0 -40.0 PHI 14 14 A 10 ILE N A 10 ILE CA A 10 ILE C A 11 ALA N 1.0 -75.0 25.0 PSI 15 15 A 10 ILE C A 11 ALA N A 11 ALA CA A 11 ALA C 1.0 -97.0 -33.0 PHI 16 16 A 11 ALA N A 11 ALA CA A 11 ALA C A 12 LEU N 1.0 -85.0 0.0 PSI 17 17 A 11 ALA C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -90.0 -40.0 PHI 18 18 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 ILE N 1.0 -70.0 20.0 PSI 19 19 A 12 LEU C A 13 ILE N A 13 ILE CA A 13 ILE C 1.0 -90.0 -40.0 PHI 20 20 A 13 ILE N A 13 ILE CA A 13 ILE C A 14 HIS N 1.0 -70.0 10.0 PSI 21 21 A 13 ILE C A 14 HIS N A 14 HIS CA A 14 HIS C 1.0 -100.0 -20.0 PHI 22 22 A 14 HIS N A 14 HIS CA A 14 HIS C A 15 LYS N 1.0 -100.0 10.0 PSI 23 23 A 14 HIS C A 15 LYS N A 15 LYS CA A 15 LYS C 1.0 -120.0 -25.0 PHI 24 24 A 15 LYS N A 15 LYS CA A 15 LYS C A 16 LYS N 1.0 -60.0 10.0 PSI 25 25 A 15 LYS C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -110.0 -40.0 PHI 26 26 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 TYR N 1.0 -50.0 20.0 PSI stop_ save_