data_nef_c36025_5h2s 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 5H2S 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 PHE start . . 2 A 2 ILE middle . . 3 A 3 HIS middle . . 4 A 4 HIS middle . . 5 A 5 ILE middle . . 6 A 6 ILE middle . . 7 A 7 GLY middle . false 8 A 8 GLY middle . false 9 A 9 LEU middle . . 10 A 10 PHE middle . . 11 A 11 SER middle . . 12 A 12 ALA middle . . 13 A 13 GLY middle . false 14 A 14 LYS middle . . 15 A 15 ALA middle . . 16 A 16 ILE middle . . 17 A 17 HIS middle . . 18 A 18 ARG middle . . 19 A 19 LEU middle . . 20 A 20 ILE middle . . 21 A 21 ARG middle . . 22 A 22 ARG middle . . 23 A 23 ARG middle . . 24 A 24 ARG middle . . 25 A 25 ARG end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 ILE HA H 1 3.888 0.05 A 2 ILE HB H 1 1.893 0.05 A 2 ILE HD1% H 1 1.336 0.05 A 2 ILE HG1x H 1 1.077 0.05 A 2 ILE HG1y H 1 1.077 0.05 A 2 ILE HG2% H 1 0.767 0.05 A 3 HIS H H 1 8.585 0.05 A 3 HIS HA H 1 4.434 0.05 A 3 HIS HBx H 1 3.156 0.05 A 3 HIS HBy H 1 3.156 0.05 A 3 HIS HD2 H 1 7.214 0.05 A 3 HIS HE1 H 1 8.578 0.05 A 4 HIS H H 1 8.419 0.05 A 4 HIS HA H 1 4.630 0.05 A 4 HIS HBx H 1 3.254 0.05 A 4 HIS HBy H 1 3.254 0.05 A 4 HIS HD2 H 1 7.248 0.05 A 4 HIS HE1 H 1 8.598 0.05 A 5 ILE H H 1 8.060 0.05 A 5 ILE HA H 1 3.907 0.05 A 5 ILE HB H 1 1.940 0.05 A 5 ILE HD1% H 1 1.456 0.05 A 5 ILE HG1x H 1 1.115 0.05 A 5 ILE HG1y H 1 1.115 0.05 A 5 ILE HG2% H 1 0.821 0.05 A 6 ILE H H 1 8.055 0.05 A 6 ILE HA H 1 3.731 0.05 A 6 ILE HB H 1 1.906 0.05 A 6 ILE HD1% H 1 1.554 0.05 A 6 ILE HG1x H 1 1.221 0.05 A 6 ILE HG1y H 1 1.221 0.05 A 6 ILE HG2% H 1 0.815 0.05 A 7 GLY H H 1 8.304 0.05 A 7 GLY HAx H 1 3.838 0.05 A 7 GLY HAy H 1 3.907 0.05 A 8 GLY H H 1 8.089 0.05 A 8 GLY HAx H 1 3.721 0.05 A 8 GLY HAy H 1 4.015 0.05 A 9 LEU H H 1 8.236 0.05 A 9 LEU HA H 1 4.044 0.05 A 9 LEU HBx H 1 1.885 0.05 A 9 LEU HBy H 1 1.885 0.05 A 9 LEU HDx% H 1 0.780 0.05 A 9 LEU HDy% H 1 0.780 0.05 A 9 LEU HG H 1 1.496 0.05 A 10 PHE H H 1 8.373 0.05 A 10 PHE HA H 1 4.317 0.05 A 10 PHE HBx H 1 3.234 0.05 A 10 PHE HBy H 1 3.234 0.05 A 10 PHE HDx H 1 7.287 0.05 A 10 PHE HDy H 1 7.287 0.05 A 10 PHE HEx H 1 7.190 0.05 A 10 PHE HEy H 1 7.190 0.05 A 11 SER H H 1 8.241 0.05 A 11 SER HA H 1 4.171 0.05 A 11 SER HBx H 1 3.950 0.05 A 11 SER HBy H 1 4.060 0.05 A 12 ALA H H 1 8.373 0.05 A 12 ALA HA H 1 4.122 0.05 A 12 ALA HB% H 1 1.466 0.05 A 13 GLY H H 1 8.630 0.05 A 13 GLY HAx H 1 3.640 0.05 A 13 GLY HAy H 1 3.700 0.05 A 14 LYS H H 1 8.167 0.05 A 14 LYS HA H 1 3.995 0.05 A 14 LYS HBx H 1 1.846 0.05 A 14 LYS HBy H 1 1.846 0.05 A 14 LYS HDx H 1 1.632 0.05 A 14 LYS HDy H 1 1.632 0.05 A 14 LYS HEx H 1 2.785 0.05 A 14 LYS HEy H 1 2.853 0.05 A 14 LYS HGy H 1 1.506 0.05 A 14 LYS HGx H 1 1.370 0.05 A 15 ALA H H 1 7.815 0.05 A 15 ALA HA H 1 4.112 0.05 A 15 ALA HB% H 1 1.534 0.05 A 16 ILE H H 1 8.427 0.05 A 16 ILE HA H 1 3.663 0.05 A 16 ILE HB H 1 1.953 0.05 A 16 ILE HD1% H 1 0.782 0.05 A 16 ILE HG1x H 1 1.065 0.05 A 16 ILE HG1y H 1 1.065 0.05 A 16 ILE HG2% H 1 0.880 0.05 A 17 HIS H H 1 8.387 0.05 A 17 HIS HA H 1 4.191 0.05 A 17 HIS HBx H 1 3.233 0.05 A 17 HIS HBy H 1 3.467 0.05 A 17 HIS HD2 H 1 7.160 0.05 A 17 HIS HE1 H 1 8.642 0.05 A 18 ARG H H 1 7.835 0.05 A 18 ARG HA H 1 3.897 0.05 A 18 ARG HBx H 1 1.808 0.05 A 18 ARG HBy H 1 1.934 0.05 A 18 ARG HDx H 1 3.195 0.05 A 18 ARG HDy H 1 3.195 0.05 A 18 ARG HE H 1 7.434 0.05 A 18 ARG HGx H 1 1.563 0.05 A 18 ARG HGy H 1 1.563 0.05 A 19 LEU H H 1 7.830 0.05 A 19 LEU HA H 1 4.044 0.05 A 19 LEU HBx H 1 1.850 0.05 A 19 LEU HBy H 1 1.850 0.05 A 19 LEU HDx% H 1 0.870 0.05 A 19 LEU HDy% H 1 0.870 0.05 A 19 LEU HG H 1 1.700 0.05 A 20 ILE H H 1 7.986 0.05 A 20 ILE HA H 1 3.751 0.05 A 20 ILE HB H 1 1.944 0.05 A 20 ILE HD1% H 1 0.801 0.05 A 20 ILE HG1x H 1 1.202 0.05 A 20 ILE HG1y H 1 1.202 0.05 A 20 ILE HG2% H 1 0.899 0.05 A 21 ARG H H 1 7.693 0.05 A 21 ARG HA H 1 4.122 0.05 A 21 ARG HBx H 1 1.729 0.05 A 21 ARG HBy H 1 1.827 0.05 A 21 ARG HDx H 1 3.067 0.05 A 21 ARG HDy H 1 3.067 0.05 A 21 ARG HE H 1 7.290 0.05 A 21 ARG HGx H 1 1.563 0.05 A 21 ARG HGy H 1 1.563 0.05 A 22 ARG H H 1 7.743 0.05 A 22 ARG HA H 1 4.200 0.05 A 22 ARG HBx H 1 1.895 0.05 A 22 ARG HBy H 1 1.895 0.05 A 22 ARG HDx H 1 3.155 0.05 A 22 ARG HDy H 1 3.155 0.05 A 22 ARG HE H 1 7.368 0.05 A 22 ARG HGx H 1 1.700 0.05 A 22 ARG HGy H 1 1.700 0.05 A 23 ARG H H 1 7.827 0.05 A 23 ARG HA H 1 4.249 0.05 A 23 ARG HBx H 1 1.798 0.05 A 23 ARG HBy H 1 1.915 0.05 A 23 ARG HDx H 1 3.146 0.05 A 23 ARG HDy H 1 3.146 0.05 A 23 ARG HE H 1 7.502 0.05 A 23 ARG HGx H 1 1.660 0.05 A 23 ARG HGy H 1 1.660 0.05 A 24 ARG H H 1 8.030 0.05 A 24 ARG HA H 1 4.308 0.05 A 24 ARG HBx H 1 1.749 0.05 A 24 ARG HBy H 1 1.885 0.05 A 24 ARG HDx H 1 3.146 0.05 A 24 ARG HDy H 1 3.146 0.05 A 24 ARG HE H 1 7.331 0.05 A 24 ARG HGx H 1 1.641 0.05 A 24 ARG HGy H 1 1.641 0.05 A 25 ARG H H 1 7.893 0.05 A 25 ARG HA H 1 4.152 0.05 A 25 ARG HBx H 1 1.719 0.05 A 25 ARG HBy H 1 1.837 0.05 A 25 ARG HDx H 1 3.155 0.05 A 25 ARG HDy H 1 3.155 0.05 A 25 ARG HE H 1 7.214 0.05 A 25 ARG HGx H 1 1.593 0.05 A 25 ARG HGy H 1 1.593 0.05 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 2 ILE HA A 3 HIS HA 1.0 1.8 5.0 2 2 A 3 HIS HA A 2 ILE HB 1.0 1.8 5.0 3 3 A 3 HIS HA A 2 ILE HG2% 1.0 1.8 5.0 4 4 A 2 ILE HA A 3 HIS H 1.0 1.8 3.5 5 5 A 2 ILE HB A 3 HIS H 1.0 1.8 4.0 6 6 A 2 ILE HG2% A 3 HIS H 1.0 1.8 5.0 7 7 A 2 ILE HA A 3 HIS HD2 1.0 1.8 5.0 8 8 A 2 ILE HG2% A 3 HIS HD2 1.0 1.8 5.0 9 9 A 2 ILE HG2% A 3 HIS HE1 1.0 1.8 5.0 10 10 A 5 ILE HA A 4 HIS HA 1.0 1.8 5.0 11 11 A 5 ILE HA A 4 HIS HD2 1.0 1.8 5.0 12 12 A 4 HIS HD2 A 5 ILE HD1% 1.0 1.8 5.5 13 13 A 4 HIS HD2 A 5 ILE HG2% 1.0 1.8 5.0 14 14 A 3 HIS HA A 4 HIS H 1.0 1.8 3.5 15 15 A 4 HIS H A 3 HIS HBx 1.0 1.8 4.0 16 15 A 4 HIS H A 3 HIS HBy 1.0 1.8 4.0 17 16 A 5 ILE HA A 4 HIS H 1.0 1.8 5.0 18 17 A 4 HIS H A 5 ILE H 1.0 1.8 5.0 19 18 A 4 HIS HA A 5 ILE H 1.0 1.8 3.5 20 19 A 5 ILE H A 4 HIS HBx 1.0 1.8 5.0 21 19 A 5 ILE H A 4 HIS HBy 1.0 1.8 5.0 22 20 A 7 GLY H A 6 ILE H 1.0 1.8 4.0 23 21 A 7 GLY H A 6 ILE HA 1.0 1.8 3.5 24 22 A 7 GLY H A 6 ILE HB 1.0 1.8 3.5 25 23 A 7 GLY H A 6 ILE HG2% 1.0 1.8 5.0 26 24 A 7 GLY H A 6 ILE HG1x 1.0 1.8 5.0 27 24 A 7 GLY H A 6 ILE HG1y 1.0 1.8 5.0 28 25 A 7 GLY H A 6 ILE HD1% 1.0 1.8 5.0 29 26 A 7 GLY H A 8 GLY HAy 1.0 1.8 5.0 30 26 A 7 GLY H A 8 GLY HAx 1.0 1.8 5.0 31 27 A 7 GLY H A 8 GLY H 1.0 1.8 3.5 32 28 A 8 GLY H A 7 GLY HAy 1.0 1.8 3.0 33 28 A 8 GLY H A 7 GLY HAx 1.0 1.8 3.0 34 29 A 8 GLY H A 9 LEU H 1.0 1.8 3.5 35 30 A 9 LEU H A 8 GLY HAy 1.0 1.8 5.0 36 30 A 8 GLY HAx A 9 LEU H 1.0 1.8 5.0 37 31 A 9 LEU H A 10 PHE H 1.0 1.8 3.5 38 32 A 9 LEU HG A 10 PHE HA 1.0 1.8 4.5 39 33 A 9 LEU HG A 10 PHE HBx 1.0 1.8 5.0 40 33 A 9 LEU HG A 10 PHE HBy 1.0 1.8 5.0 41 34 A 10 PHE H A 9 LEU HA 1.0 1.8 5.0 42 35 A 10 PHE H A 9 LEU HBx 1.0 1.8 4.5 43 35 A 10 PHE H A 9 LEU HBy 1.0 1.8 4.5 44 36 A 10 PHE H A 11 SER H 1.0 1.8 3.5 45 37 A 11 SER HA A 10 PHE HBx 1.0 1.8 5.0 46 37 A 10 PHE HBy A 11 SER HA 1.0 1.8 5.0 47 38 A 10 PHE HA A 11 SER H 1.0 1.8 3.5 48 39 A 11 SER H A 10 PHE HBx 1.0 1.8 3.5 49 39 A 10 PHE HBy A 11 SER H 1.0 1.8 3.5 50 40 A 11 SER H A 12 ALA H 1.0 1.8 5.0 51 41 A 11 SER HA A 12 ALA H 1.0 1.8 5.0 52 42 A 12 ALA H A 11 SER HBx 1.0 1.8 5.0 53 42 A 12 ALA H A 11 SER HBy 1.0 1.8 5.0 54 43 A 12 ALA H A 13 GLY H 1.0 1.8 3.5 55 44 A 12 ALA HB% A 13 GLY HAy 1.0 1.8 6.0 56 44 A 12 ALA HB% A 13 GLY HAx 1.0 1.8 6.0 57 45 A 13 GLY H A 12 ALA HA 1.0 1.8 4.0 58 46 A 13 GLY H A 12 ALA HB% 1.0 1.8 5.0 59 47 A 13 GLY H A 14 LYS H 1.0 1.8 3.5 60 48 A 14 LYS H A 13 GLY HAy 1.0 1.8 3.0 61 48 A 13 GLY HAx A 14 LYS H 1.0 1.8 3.0 62 49 A 14 LYS H A 15 ALA H 1.0 1.8 3.5 63 50 A 15 ALA H A 14 LYS HA 1.0 1.8 5.0 64 51 A 15 ALA H A 14 LYS HGx 1.0 1.8 5.0 65 51 A 15 ALA H A 14 LYS HGy 1.0 1.8 5.0 66 52 A 15 ALA H A 16 ILE HA 1.0 1.8 5.5 67 53 A 15 ALA H A 16 ILE H 1.0 1.8 3.5 68 54 A 16 ILE HA A 15 ALA HB% 1.0 1.8 4.5 69 55 A 16 ILE H A 15 ALA HA 1.0 1.8 4.0 70 56 A 16 ILE H A 15 ALA HB% 1.0 1.8 3.5 71 57 A 16 ILE H A 17 HIS HA 1.0 1.8 5.0 72 58 A 16 ILE H A 17 HIS H 1.0 1.8 5.0 73 59 A 17 HIS HA A 16 ILE HB 1.0 1.8 5.0 74 60 A 17 HIS HA A 16 ILE HG2% 1.0 1.8 5.5 75 61 A 18 ARG HA A 17 HIS HD2 1.0 1.8 5.0 76 62 A 17 HIS HE1 A 18 ARG HGx 1.0 1.8 4.0 77 62 A 18 ARG HGy A 17 HIS HE1 1.0 1.8 4.0 78 63 A 16 ILE HA A 17 HIS H 1.0 1.8 4.0 79 64 A 17 HIS H A 16 ILE HD1% 1.0 1.8 5.0 80 65 A 17 HIS H A 16 ILE HG1x 1.0 1.8 5.0 81 65 A 17 HIS H A 16 ILE HG1y 1.0 1.8 5.0 82 66 A 17 HIS H A 16 ILE HG2% 1.0 1.8 5.0 83 67 A 17 HIS H A 18 ARG H 1.0 1.8 3.5 84 68 A 18 ARG HA A 17 HIS HBx 1.0 1.8 5.5 85 68 A 18 ARG HA A 17 HIS HBy 1.0 1.8 5.5 86 69 A 17 HIS HA A 18 ARG H 1.0 1.8 5.0 87 70 A 18 ARG H A 17 HIS HBx 1.0 1.8 4.0 88 70 A 18 ARG H A 17 HIS HBy 1.0 1.8 4.0 89 71 A 20 ILE H A 19 LEU H 1.0 1.8 5.0 90 72 A 20 ILE H A 19 LEU HA 1.0 1.8 3.5 91 73 A 20 ILE H A 19 LEU HBx 1.0 1.8 3.5 92 73 A 20 ILE H A 19 LEU HBy 1.0 1.8 3.5 93 74 A 20 ILE H A 19 LEU HG 1.0 1.8 3.0 94 75 A 20 ILE H A 21 ARG H 1.0 1.8 3.0 95 76 A 20 ILE HG2% A 21 ARG HA 1.0 1.8 5.5 96 77 A 20 ILE HG2% A 21 ARG HDx 1.0 1.8 6.0 97 77 A 20 ILE HG2% A 21 ARG HDy 1.0 1.8 6.0 98 78 A 21 ARG H A 20 ILE HA 1.0 1.8 3.5 99 79 A 21 ARG H A 20 ILE HB 1.0 1.8 4.0 100 80 A 21 ARG H A 20 ILE HD1% 1.0 1.8 5.0 101 81 A 21 ARG H A 20 ILE HG1x 1.0 1.8 4.0 102 81 A 21 ARG H A 20 ILE HG1y 1.0 1.8 4.0 103 82 A 21 ARG H A 20 ILE HG2% 1.0 1.8 3.5 104 83 A 21 ARG HA A 22 ARG H 1.0 1.8 3.5 105 84 A 22 ARG H A 21 ARG HDx 1.0 1.8 5.5 106 84 A 21 ARG HDy A 22 ARG H 1.0 1.8 5.5 107 85 A 22 ARG H A 21 ARG HGx 1.0 1.8 4.5 108 85 A 22 ARG H A 21 ARG HGy 1.0 1.8 4.5 109 86 A 22 ARG H A 23 ARG H 1.0 1.8 3.0 110 87 A 23 ARG H A 22 ARG HA 1.0 1.8 5.0 111 88 A 23 ARG H A 24 ARG H 1.0 1.8 4.0 112 89 A 24 ARG H A 23 ARG HA 1.0 1.8 3.5 113 90 A 24 ARG H A 25 ARG H 1.0 1.8 4.0 114 91 A 25 ARG H A 24 ARG HA 1.0 1.8 2.5 115 92 A 2 ILE HA A 5 ILE HD1% 1.0 1.8 5.0 116 93 A 3 HIS HA A 6 ILE HB 1.0 1.8 5.0 117 94 A 3 HIS HA A 6 ILE HD1% 1.0 1.8 5.0 118 95 A 3 HIS HA A 6 ILE HG1x 1.0 1.8 4.6 119 95 A 3 HIS HA A 6 ILE HG1y 1.0 1.8 4.6 120 96 A 3 HIS HA A 6 ILE HG2% 1.0 1.8 4.6 121 97 A 3 HIS HD2 A 5 ILE HG2% 1.0 1.8 5.0 122 98 A 2 ILE HG2% A 4 HIS HE1 1.0 1.8 5.0 123 99 A 4 HIS H A 6 ILE H 1.0 1.8 5.0 124 100 A 4 HIS HA A 6 ILE H 1.0 1.8 5.0 125 101 A 7 GLY HAy A 10 PHE HBx 1.0 1.8 5.0 126 101 A 10 PHE HBy A 7 GLY HAy 1.0 1.8 5.0 127 101 A 7 GLY HAx A 10 PHE HBy 1.0 1.8 5.0 128 101 A 7 GLY HAx A 10 PHE HBx 1.0 1.8 5.0 129 102 A 3 HIS HA A 7 GLY H 1.0 1.8 6.0 130 103 A 4 HIS HA A 7 GLY H 1.0 1.8 5.5 131 104 A 7 GLY H A 10 PHE HBx 1.0 1.8 4.0 132 104 A 7 GLY H A 10 PHE HBy 1.0 1.8 4.0 133 105 A 4 HIS HA A 8 GLY H 1.0 1.8 5.0 134 106 A 5 ILE HA A 8 GLY H 1.0 1.8 5.0 135 107 A 8 GLY H A 10 PHE HBx 1.0 1.8 4.0 136 107 A 8 GLY H A 10 PHE HBy 1.0 1.8 4.0 137 108 A 8 GLY H A 10 PHE H 1.0 1.8 4.0 138 109 A 9 LEU HA A 12 ALA HB% 1.0 1.8 6.0 139 110 A 6 ILE HA A 9 LEU H 1.0 1.8 5.0 140 111 A 6 ILE HG2% A 9 LEU H 1.0 1.8 6.0 141 112 A 9 LEU H A 7 GLY HAy 1.0 1.8 4.5 142 112 A 7 GLY HAx A 9 LEU H 1.0 1.8 4.5 143 113 A 6 ILE HA A 10 PHE HA 1.0 1.8 5.0 144 114 A 10 PHE HA A 13 GLY HAy 1.0 1.8 5.0 145 114 A 10 PHE HA A 13 GLY HAx 1.0 1.8 5.0 146 115 A 6 ILE HD1% A 10 PHE HBx 1.0 1.8 6.0 147 115 A 6 ILE HD1% A 10 PHE HBy 1.0 1.8 6.0 148 116 A 6 ILE HG2% A 10 PHE HBx 1.0 1.8 6.0 149 116 A 6 ILE HG2% A 10 PHE HBy 1.0 1.8 6.0 150 117 A 6 ILE HG2% A 10 PHE HD% 1.0 1.8 6.0 151 118 A 6 ILE HG2% A 10 PHE H 1.0 1.8 5.0 152 119 A 10 PHE H A 7 GLY HAy 1.0 1.8 5.0 153 119 A 7 GLY HAx A 10 PHE H 1.0 1.8 5.0 154 120 A 10 PHE H A 8 GLY HAy 1.0 1.8 5.0 155 120 A 8 GLY HAx A 10 PHE H 1.0 1.8 5.0 156 121 A 10 PHE H A 13 GLY H 1.0 1.8 5.0 157 122 A 11 SER HA A 14 LYS HBx 1.0 1.8 5.0 158 122 A 11 SER HA A 14 LYS HBy 1.0 1.8 5.0 159 123 A 11 SER HA A 14 LYS HEx 1.0 1.8 5.0 160 123 A 11 SER HA A 14 LYS HEy 1.0 1.8 5.0 161 124 A 11 SER HA A 14 LYS HGx 1.0 1.8 5.0 162 124 A 11 SER HA A 14 LYS HGy 1.0 1.8 5.0 163 125 A 11 SER H A 13 GLY H 1.0 1.8 4.0 164 126 A 12 ALA H A 14 LYS H 1.0 1.8 4.0 165 127 A 16 ILE HB A 13 GLY HAy 1.0 1.8 4.0 166 127 A 13 GLY HAx A 16 ILE HB 1.0 1.8 4.0 167 128 A 16 ILE HD1% A 13 GLY HAy 1.0 1.8 5.0 168 128 A 13 GLY HAx A 16 ILE HD1% 1.0 1.8 5.0 169 129 A 16 ILE HG2% A 13 GLY HAy 1.0 1.8 6.0 170 129 A 13 GLY HAx A 16 ILE HG2% 1.0 1.8 6.0 171 130 A 9 LEU HA A 13 GLY H 1.0 1.8 4.0 172 131 A 10 PHE HA A 13 GLY H 1.0 1.8 4.0 173 132 A 13 GLY H A 15 ALA H 1.0 1.8 5.0 174 133 A 14 LYS HA A 17 HIS HBx 1.0 1.8 3.5 175 133 A 14 LYS HA A 17 HIS HBy 1.0 1.8 3.5 176 134 A 10 PHE HA A 14 LYS H 1.0 1.8 4.5 177 135 A 14 LYS H A 10 PHE HBx 1.0 1.8 5.5 178 135 A 10 PHE HBy A 14 LYS H 1.0 1.8 5.5 179 136 A 11 SER HA A 14 LYS H 1.0 1.8 4.0 180 137 A 12 ALA HA A 14 LYS H 1.0 1.8 4.0 181 138 A 14 LYS H A 16 ILE H 1.0 1.8 4.0 182 139 A 15 ALA HA A 18 ARG HBx 1.0 1.8 4.0 183 139 A 15 ALA HA A 18 ARG HBy 1.0 1.8 4.0 184 140 A 15 ALA HA A 18 ARG HDx 1.0 1.8 5.0 185 140 A 15 ALA HA A 18 ARG HDy 1.0 1.8 5.0 186 141 A 12 ALA HA A 15 ALA H 1.0 1.8 5.0 187 142 A 15 ALA H A 13 GLY HAy 1.0 1.8 5.0 188 142 A 13 GLY HAx A 15 ALA H 1.0 1.8 5.0 189 143 A 12 ALA HA A 16 ILE H 1.0 1.8 5.0 190 144 A 12 ALA HB% A 16 ILE H 1.0 1.8 5.0 191 145 A 17 HIS HA A 20 ILE HB 1.0 1.8 5.0 192 146 A 17 HIS HA A 20 ILE HD1% 1.0 1.8 5.0 193 147 A 17 HIS HA A 20 ILE HG1x 1.0 1.8 5.0 194 147 A 17 HIS HA A 20 ILE HG1y 1.0 1.8 5.0 195 148 A 17 HIS HA A 20 ILE HG2% 1.0 1.8 5.5 196 149 A 14 LYS HA A 17 HIS HD2 1.0 1.8 5.0 197 150 A 17 HIS HD2 A 20 ILE HG1x 1.0 1.8 5.5 198 150 A 17 HIS HD2 A 20 ILE HG1y 1.0 1.8 5.5 199 151 A 17 HIS HD2 A 20 ILE HD1% 1.0 1.8 5.0 200 152 A 17 HIS HD2 A 20 ILE HG2% 1.0 1.8 5.0 201 153 A 17 HIS HD2 A 21 ARG HDx 1.0 1.8 5.0 202 153 A 17 HIS HD2 A 21 ARG HDy 1.0 1.8 5.0 203 154 A 17 HIS HD2 A 21 ARG HGx 1.0 1.8 3.5 204 154 A 17 HIS HD2 A 21 ARG HGy 1.0 1.8 3.5 205 155 A 15 ALA H A 17 HIS HE1 1.0 1.8 6.0 206 156 A 17 HIS HE1 A 21 ARG HDx 1.0 1.8 4.0 207 156 A 17 HIS HE1 A 21 ARG HDy 1.0 1.8 4.0 208 157 A 15 ALA HB% A 17 HIS H 1.0 1.8 5.0 209 158 A 17 HIS H A 19 LEU H 1.0 1.8 5.0 210 159 A 18 ARG HA A 21 ARG HBx 1.0 1.8 5.0 211 159 A 18 ARG HA A 21 ARG HBy 1.0 1.8 5.0 212 160 A 18 ARG HA A 21 ARG HDx 1.0 1.8 4.0 213 160 A 18 ARG HA A 21 ARG HDy 1.0 1.8 4.0 214 161 A 15 ALA HA A 18 ARG HE 1.0 1.8 4.0 215 162 A 19 LEU HA A 22 ARG HDx 1.0 1.8 4.0 216 162 A 19 LEU HA A 22 ARG HDy 1.0 1.8 4.0 217 163 A 16 ILE HA A 19 LEU H 1.0 1.8 3.5 218 164 A 19 LEU H A 16 ILE HG1x 1.0 1.8 6.0 219 164 A 16 ILE HG1y A 19 LEU H 1.0 1.8 6.0 220 165 A 20 ILE HA A 23 ARG HDx 1.0 1.8 5.0 221 165 A 20 ILE HA A 23 ARG HDy 1.0 1.8 5.0 222 166 A 20 ILE HA A 23 ARG HGx 1.0 1.8 4.5 223 166 A 20 ILE HA A 23 ARG HGy 1.0 1.8 4.5 224 167 A 16 ILE HA A 20 ILE H 1.0 1.8 4.5 225 168 A 17 HIS HA A 20 ILE H 1.0 1.8 3.5 226 169 A 18 ARG HA A 20 ILE H 1.0 1.8 4.0 227 170 A 20 ILE H A 18 ARG HGx 1.0 1.8 6.0 228 170 A 18 ARG HGy A 20 ILE H 1.0 1.8 6.0 229 171 A 20 ILE H A 22 ARG H 1.0 1.8 4.0 230 172 A 18 ARG HA A 21 ARG HE 1.0 1.8 4.5 231 173 A 17 HIS HA A 21 ARG H 1.0 1.8 4.5 232 174 A 18 ARG HA A 21 ARG H 1.0 1.8 4.0 233 175 A 19 LEU HA A 21 ARG H 1.0 1.8 5.0 234 176 A 21 ARG H A 23 ARG H 1.0 1.8 4.0 235 177 A 19 LEU HA A 22 ARG HE 1.0 1.8 5.0 236 178 A 18 ARG HA A 22 ARG H 1.0 1.8 4.0 237 179 A 19 LEU HA A 22 ARG H 1.0 1.8 3.5 238 180 A 20 ILE HA A 22 ARG H 1.0 1.8 4.5 239 181 A 20 ILE HG2% A 22 ARG H 1.0 1.8 5.5 240 182 A 23 ARG H A 20 ILE HG1x 1.0 1.8 5.5 241 182 A 20 ILE HG1y A 23 ARG H 1.0 1.8 5.5 242 183 A 20 ILE HA A 23 ARG H 1.0 1.8 3.5 243 184 A 21 ARG HA A 24 ARG H 1.0 1.8 4.0 244 185 A 22 ARG HA A 24 ARG H 1.0 1.8 5.0 245 186 A 25 ARG HA A 23 ARG HGx 1.0 1.8 5.0 246 186 A 23 ARG HGy A 25 ARG HA 1.0 1.8 5.0 247 187 A 2 ILE HA A 2 ILE HB 1.0 1.8 3.5 248 188 A 2 ILE HA A 2 ILE HD1% 1.0 1.8 5.0 249 189 A 2 ILE HA A 2 ILE HG1x 1.0 1.8 4.0 250 189 A 2 ILE HA A 2 ILE HG1y 1.0 1.8 4.0 251 190 A 2 ILE HA A 2 ILE HG2% 1.0 1.8 4.0 252 191 A 3 HIS HA A 3 HIS HBx 1.0 1.8 3.0 253 191 A 3 HIS HA A 3 HIS HBy 1.0 1.8 3.0 254 192 A 3 HIS HA A 3 HIS HD2 1.0 1.8 4.0 255 193 A 3 HIS HA A 3 HIS H 1.0 1.8 3.5 256 194 A 3 HIS H A 3 HIS HBx 1.0 1.8 4.0 257 194 A 3 HIS H A 3 HIS HBy 1.0 1.8 4.0 258 195 A 4 HIS HA A 4 HIS HBx 1.0 1.8 3.5 259 195 A 4 HIS HA A 4 HIS HBy 1.0 1.8 3.5 260 196 A 4 HIS HA A 4 HIS HD2 1.0 1.8 4.0 261 197 A 4 HIS HD2 A 4 HIS HBx 1.0 1.8 4.0 262 197 A 4 HIS HD2 A 4 HIS HBy 1.0 1.8 4.0 263 198 A 4 HIS HA A 4 HIS H 1.0 1.8 4.0 264 199 A 4 HIS H A 4 HIS HBx 1.0 1.8 4.0 265 199 A 4 HIS H A 4 HIS HBy 1.0 1.8 4.0 266 200 A 5 ILE HA A 5 ILE HB 1.0 1.8 3.5 267 201 A 5 ILE HA A 5 ILE HD1% 1.0 1.8 5.0 268 202 A 5 ILE HA A 5 ILE HG1x 1.0 1.8 4.0 269 202 A 5 ILE HA A 5 ILE HG1y 1.0 1.8 4.0 270 203 A 5 ILE HA A 5 ILE HG2% 1.0 1.8 4.0 271 204 A 5 ILE HA A 5 ILE H 1.0 1.8 3.5 272 205 A 5 ILE H A 5 ILE HB 1.0 1.8 4.0 273 206 A 5 ILE HD1% A 5 ILE H 1.0 1.8 4.0 274 207 A 5 ILE H A 5 ILE HG1x 1.0 1.8 3.5 275 207 A 5 ILE H A 5 ILE HG1y 1.0 1.8 3.5 276 208 A 5 ILE HG2% A 5 ILE H 1.0 1.8 5.0 277 209 A 6 ILE HA A 6 ILE HB 1.0 1.8 3.5 278 210 A 6 ILE HA A 6 ILE HD1% 1.0 1.8 5.0 279 211 A 6 ILE HA A 6 ILE HG1x 1.0 1.8 4.0 280 211 A 6 ILE HA A 6 ILE HG1y 1.0 1.8 4.0 281 212 A 6 ILE HA A 6 ILE HG2% 1.0 1.8 4.0 282 213 A 6 ILE H A 6 ILE HA 1.0 1.8 3.5 283 214 A 6 ILE H A 6 ILE HB 1.0 1.8 4.0 284 215 A 6 ILE H A 6 ILE HD1% 1.0 1.8 4.0 285 216 A 6 ILE H A 6 ILE HG1x 1.0 1.8 3.5 286 216 A 6 ILE H A 6 ILE HG1y 1.0 1.8 3.5 287 217 A 6 ILE H A 6 ILE HG2% 1.0 1.8 5.0 288 218 A 7 GLY HAx A 7 GLY HAy 1.0 1.8 2.5 289 219 A 7 GLY H A 7 GLY HAy 1.0 1.8 3.5 290 219 A 7 GLY H A 7 GLY HAx 1.0 1.8 3.5 291 220 A 8 GLY HAx A 8 GLY HAy 1.0 1.8 2.5 292 221 A 8 GLY H A 8 GLY HAy 1.0 1.8 3.5 293 221 A 8 GLY HAx A 8 GLY H 1.0 1.8 3.5 294 222 A 9 LEU HA A 9 LEU HDx% 1.0 1.8 6.0 295 222 A 9 LEU HA A 9 LEU HDy% 1.0 1.8 6.0 296 223 A 9 LEU HG A 9 LEU HA 1.0 1.8 3.5 297 224 A 9 LEU HA A 9 LEU HBx 1.0 1.8 3.5 298 224 A 9 LEU HA A 9 LEU HBy 1.0 1.8 3.5 299 225 A 9 LEU H A 9 LEU HA 1.0 1.8 3.5 300 226 A 9 LEU H A 9 LEU HBx 1.0 1.8 4.0 301 226 A 9 LEU H A 9 LEU HBy 1.0 1.8 4.0 302 227 A 9 LEU H A 9 LEU HDx% 1.0 1.8 6.0 303 227 A 9 LEU H A 9 LEU HDy% 1.0 1.8 6.0 304 228 A 9 LEU H A 9 LEU HG 1.0 1.8 4.0 305 229 A 10 PHE HA A 10 PHE HBx 1.0 1.8 3.5 306 229 A 10 PHE HA A 10 PHE HBy 1.0 1.8 3.5 307 230 A 10 PHE HA A 10 PHE HD% 1.0 1.8 4.0 308 231 A 10 PHE HD% A 10 PHE HBx 1.0 1.8 5.0 309 231 A 10 PHE HBy A 10 PHE HD% 1.0 1.8 5.0 310 232 A 10 PHE H A 10 PHE HA 1.0 1.8 3.5 311 233 A 10 PHE H A 10 PHE HBx 1.0 1.8 4.0 312 233 A 10 PHE H A 10 PHE HBy 1.0 1.8 4.0 313 234 A 10 PHE H A 10 PHE HD% 1.0 1.8 4.0 314 235 A 11 SER HA A 11 SER HBx 1.0 1.8 3.5 315 235 A 11 SER HA A 11 SER HBy 1.0 1.8 3.5 316 236 A 11 SER HBy A 11 SER HBx 1.0 1.8 2.5 317 237 A 11 SER H A 11 SER HA 1.0 1.8 3.0 318 238 A 11 SER H A 11 SER HBx 1.0 1.8 5.0 319 238 A 11 SER H A 11 SER HBy 1.0 1.8 5.0 320 239 A 12 ALA HB% A 12 ALA HA 1.0 1.8 5.0 321 240 A 12 ALA H A 12 ALA HA 1.0 1.8 5.0 322 241 A 12 ALA H A 12 ALA HB% 1.0 1.8 5.0 323 242 A 13 GLY HAx A 13 GLY HAy 1.0 1.8 2.5 324 243 A 13 GLY H A 13 GLY HAy 1.0 1.8 3.0 325 243 A 13 GLY H A 13 GLY HAx 1.0 1.8 3.0 326 244 A 14 LYS HA A 14 LYS HBx 1.0 1.8 3.0 327 244 A 14 LYS HA A 14 LYS HBy 1.0 1.8 3.0 328 245 A 14 LYS HA A 14 LYS HDx 1.0 1.8 4.5 329 245 A 14 LYS HA A 14 LYS HDy 1.0 1.8 4.5 330 246 A 14 LYS HA A 14 LYS HGx 1.0 1.8 4.0 331 246 A 14 LYS HA A 14 LYS HGy 1.0 1.8 4.0 332 247 A 14 LYS HGy A 14 LYS HGx 1.0 1.8 2.5 333 248 A 14 LYS H A 14 LYS HBx 1.0 1.8 3.5 334 248 A 14 LYS H A 14 LYS HBy 1.0 1.8 3.5 335 249 A 14 LYS H A 14 LYS HDx 1.0 1.8 4.0 336 249 A 14 LYS H A 14 LYS HDy 1.0 1.8 4.0 337 250 A 14 LYS HA A 14 LYS HGx 1.0 1.8 4.0 338 250 A 14 LYS HA A 14 LYS HGy 1.0 1.8 4.0 339 251 A 15 ALA HB% A 15 ALA HA 1.0 1.8 5.0 340 252 A 15 ALA H A 15 ALA HA 1.0 1.8 3.5 341 253 A 15 ALA H A 15 ALA HB% 1.0 1.8 5.0 342 254 A 16 ILE HA A 16 ILE HB 1.0 1.8 3.5 343 255 A 16 ILE HA A 16 ILE HD1% 1.0 1.8 4.0 344 256 A 16 ILE HA A 16 ILE HG1x 1.0 1.8 3.5 345 256 A 16 ILE HA A 16 ILE HG1y 1.0 1.8 3.5 346 257 A 16 ILE HA A 16 ILE HG2% 1.0 1.8 4.0 347 258 A 16 ILE HG2% A 16 ILE HG1x 1.0 1.8 6.0 348 258 A 16 ILE HG2% A 16 ILE HG1y 1.0 1.8 6.0 349 259 A 16 ILE HA A 16 ILE H 1.0 1.8 3.5 350 260 A 16 ILE H A 16 ILE HB 1.0 1.8 3.0 351 261 A 16 ILE H A 16 ILE HD1% 1.0 1.8 5.0 352 262 A 16 ILE H A 16 ILE HG1x 1.0 1.8 4.0 353 262 A 16 ILE H A 16 ILE HG1y 1.0 1.8 4.0 354 263 A 16 ILE H A 16 ILE HG2% 1.0 1.8 5.0 355 264 A 17 HIS HA A 17 HIS HBx 1.0 1.8 3.0 356 264 A 17 HIS HA A 17 HIS HBy 1.0 1.8 3.0 357 265 A 17 HIS HA A 17 HIS HD2 1.0 1.8 4.0 358 266 A 17 HIS HD2 A 17 HIS HBx 1.0 1.8 4.0 359 266 A 17 HIS HD2 A 17 HIS HBy 1.0 1.8 4.0 360 267 A 17 HIS HE1 A 17 HIS HBx 1.0 1.8 6.0 361 267 A 17 HIS HE1 A 17 HIS HBy 1.0 1.8 6.0 362 268 A 17 HIS HA A 17 HIS H 1.0 1.8 4.0 363 269 A 17 HIS H A 17 HIS HBx 1.0 1.8 3.5 364 269 A 17 HIS H A 17 HIS HBy 1.0 1.8 3.5 365 270 A 18 ARG HA A 18 ARG HGx 1.0 1.8 4.0 366 270 A 18 ARG HA A 18 ARG HGy 1.0 1.8 4.0 367 271 A 18 ARG HBx A 18 ARG HGx 1.0 1.8 5.0 368 271 A 18 ARG HBy A 18 ARG HGx 1.0 1.8 5.0 369 271 A 18 ARG HGy A 18 ARG HBx 1.0 1.8 5.0 370 271 A 18 ARG HGy A 18 ARG HBy 1.0 1.8 5.0 371 272 A 18 ARG HBy A 18 ARG HDx 1.0 1.8 5.0 372 272 A 18 ARG HBx A 18 ARG HDx 1.0 1.8 5.0 373 272 A 18 ARG HDy A 18 ARG HBx 1.0 1.8 5.0 374 272 A 18 ARG HBy A 18 ARG HDy 1.0 1.8 5.0 375 273 A 18 ARG HDy A 18 ARG HGx 1.0 1.8 5.0 376 273 A 18 ARG HDx A 18 ARG HGx 1.0 1.8 5.0 377 273 A 18 ARG HGy A 18 ARG HDx 1.0 1.8 5.0 378 273 A 18 ARG HGy A 18 ARG HDy 1.0 1.8 5.0 379 274 A 18 ARG HA A 18 ARG HDx 1.0 1.8 5.0 380 274 A 18 ARG HA A 18 ARG HDy 1.0 1.8 5.0 381 275 A 18 ARG HA A 18 ARG HE 1.0 1.8 4.0 382 276 A 18 ARG HE A 18 ARG HBx 1.0 1.8 4.0 383 276 A 18 ARG HBy A 18 ARG HE 1.0 1.8 4.0 384 277 A 18 ARG HE A 18 ARG HDx 1.0 1.8 3.0 385 277 A 18 ARG HDy A 18 ARG HE 1.0 1.8 3.0 386 278 A 18 ARG HE A 18 ARG HGx 1.0 1.8 4.0 387 278 A 18 ARG HGy A 18 ARG HE 1.0 1.8 4.0 388 279 A 18 ARG HA A 18 ARG H 1.0 1.8 3.0 389 280 A 18 ARG H A 18 ARG HBx 1.0 1.8 4.0 390 280 A 18 ARG H A 18 ARG HBy 1.0 1.8 4.0 391 281 A 18 ARG H A 18 ARG HGx 1.0 1.8 5.0 392 281 A 18 ARG HGy A 18 ARG H 1.0 1.8 5.0 393 282 A 19 LEU HA A 19 LEU HBx 1.0 1.8 3.5 394 282 A 19 LEU HA A 19 LEU HBy 1.0 1.8 3.5 395 283 A 19 LEU HA A 19 LEU HDx% 1.0 1.8 6.0 396 283 A 19 LEU HA A 19 LEU HDy% 1.0 1.8 6.0 397 284 A 19 LEU HA A 19 LEU HG 1.0 1.8 4.0 398 285 A 19 LEU H A 19 LEU HA 1.0 1.8 3.5 399 286 A 19 LEU H A 19 LEU HDx% 1.0 1.8 6.0 400 286 A 19 LEU H A 19 LEU HDy% 1.0 1.8 6.0 401 287 A 20 ILE HA A 20 ILE HB 1.0 1.8 3.5 402 288 A 20 ILE HA A 20 ILE HG1x 1.0 1.8 4.0 403 288 A 20 ILE HA A 20 ILE HG1y 1.0 1.8 4.0 404 289 A 20 ILE HG2% A 20 ILE HA 1.0 1.8 4.0 405 290 A 20 ILE H A 20 ILE HA 1.0 1.8 3.0 406 291 A 20 ILE H A 20 ILE HB 1.0 1.8 3.5 407 292 A 20 ILE H A 20 ILE HD1% 1.0 1.8 5.0 408 293 A 20 ILE H A 20 ILE HG1x 1.0 1.8 4.5 409 293 A 20 ILE H A 20 ILE HG1y 1.0 1.8 4.5 410 294 A 20 ILE H A 20 ILE HG2% 1.0 1.8 4.0 411 295 A 21 ARG HA A 21 ARG HBx 1.0 1.8 3.5 412 295 A 21 ARG HA A 21 ARG HBy 1.0 1.8 3.5 413 296 A 21 ARG HA A 21 ARG HDx 1.0 1.8 4.5 414 296 A 21 ARG HA A 21 ARG HDy 1.0 1.8 4.5 415 297 A 21 ARG HBy A 21 ARG HDx 1.0 1.8 5.0 416 297 A 21 ARG HBx A 21 ARG HDx 1.0 1.8 5.0 417 297 A 21 ARG HDy A 21 ARG HBx 1.0 1.8 5.0 418 297 A 21 ARG HDy A 21 ARG HBy 1.0 1.8 5.0 419 298 A 21 ARG HDx A 21 ARG HGx 1.0 1.8 5.0 420 298 A 21 ARG HDy A 21 ARG HGx 1.0 1.8 5.0 421 298 A 21 ARG HGy A 21 ARG HDx 1.0 1.8 5.0 422 298 A 21 ARG HDy A 21 ARG HGy 1.0 1.8 5.0 423 299 A 21 ARG HE A 21 ARG HBx 1.0 1.8 5.0 424 299 A 21 ARG HBy A 21 ARG HE 1.0 1.8 5.0 425 300 A 21 ARG HE A 21 ARG HDx 1.0 1.8 3.5 426 300 A 21 ARG HDy A 21 ARG HE 1.0 1.8 3.5 427 301 A 21 ARG HE A 21 ARG HGx 1.0 1.8 3.5 428 301 A 21 ARG HGy A 21 ARG HE 1.0 1.8 3.5 429 302 A 21 ARG H A 21 ARG HA 1.0 1.8 3.0 430 303 A 21 ARG H A 21 ARG HBx 1.0 1.8 3.5 431 303 A 21 ARG H A 21 ARG HBy 1.0 1.8 3.5 432 304 A 21 ARG H A 21 ARG HDx 1.0 1.8 4.0 433 304 A 21 ARG H A 21 ARG HDy 1.0 1.8 4.0 434 305 A 21 ARG H A 21 ARG HGx 1.0 1.8 3.5 435 305 A 21 ARG H A 21 ARG HGy 1.0 1.8 3.5 436 306 A 22 ARG HA A 22 ARG HBx 1.0 1.8 3.5 437 306 A 22 ARG HA A 22 ARG HBy 1.0 1.8 3.5 438 307 A 22 ARG HA A 22 ARG HDx 1.0 1.8 4.5 439 307 A 22 ARG HA A 22 ARG HDy 1.0 1.8 4.5 440 308 A 22 ARG HA A 22 ARG HGx 1.0 1.8 4.0 441 308 A 22 ARG HA A 22 ARG HGy 1.0 1.8 4.0 442 309 A 22 ARG HA A 22 ARG HE 1.0 1.8 4.5 443 310 A 22 ARG HE A 22 ARG HBx 1.0 1.8 4.0 444 310 A 22 ARG HE A 22 ARG HBy 1.0 1.8 4.0 445 311 A 22 ARG HE A 22 ARG HDx 1.0 1.8 3.0 446 311 A 22 ARG HDy A 22 ARG HE 1.0 1.8 3.0 447 312 A 22 ARG HE A 22 ARG HGx 1.0 1.8 3.5 448 312 A 22 ARG HE A 22 ARG HGy 1.0 1.8 3.5 449 313 A 22 ARG H A 22 ARG HA 1.0 1.8 3.0 450 314 A 22 ARG H A 22 ARG HBx 1.0 1.8 3.5 451 314 A 22 ARG H A 22 ARG HBy 1.0 1.8 3.5 452 315 A 22 ARG H A 22 ARG HDx 1.0 1.8 4.5 453 315 A 22 ARG H A 22 ARG HDy 1.0 1.8 4.5 454 316 A 22 ARG H A 22 ARG HGx 1.0 1.8 5.0 455 316 A 22 ARG H A 22 ARG HGy 1.0 1.8 5.0 456 317 A 23 ARG HA A 23 ARG HBx 1.0 1.8 3.0 457 317 A 23 ARG HA A 23 ARG HBy 1.0 1.8 3.0 458 318 A 23 ARG HA A 23 ARG HDx 1.0 1.8 4.0 459 318 A 23 ARG HA A 23 ARG HDy 1.0 1.8 4.0 460 319 A 23 ARG HA A 23 ARG HGx 1.0 1.8 4.0 461 319 A 23 ARG HA A 23 ARG HGy 1.0 1.8 4.0 462 320 A 23 ARG HA A 23 ARG HE 1.0 1.8 4.5 463 321 A 23 ARG HE A 23 ARG HBx 1.0 1.8 4.5 464 321 A 23 ARG HBy A 23 ARG HE 1.0 1.8 4.5 465 322 A 23 ARG HE A 23 ARG HDx 1.0 1.8 3.0 466 322 A 23 ARG HDy A 23 ARG HE 1.0 1.8 3.0 467 323 A 23 ARG HE A 23 ARG HGx 1.0 1.8 3.5 468 323 A 23 ARG HGy A 23 ARG HE 1.0 1.8 3.5 469 324 A 23 ARG H A 23 ARG HA 1.0 1.8 3.5 470 325 A 23 ARG H A 23 ARG HBx 1.0 1.8 5.0 471 325 A 23 ARG H A 23 ARG HBy 1.0 1.8 5.0 472 326 A 23 ARG H A 23 ARG HDx 1.0 1.8 5.0 473 326 A 23 ARG H A 23 ARG HDy 1.0 1.8 5.0 474 327 A 23 ARG H A 23 ARG HGx 1.0 1.8 5.0 475 327 A 23 ARG H A 23 ARG HGy 1.0 1.8 5.0 476 328 A 24 ARG HA A 24 ARG HBx 1.0 1.8 3.5 477 328 A 24 ARG HA A 24 ARG HBy 1.0 1.8 3.5 478 329 A 24 ARG HA A 24 ARG HDx 1.0 1.8 5.0 479 329 A 24 ARG HA A 24 ARG HDy 1.0 1.8 5.0 480 330 A 24 ARG HA A 24 ARG HGx 1.0 1.8 4.0 481 330 A 24 ARG HA A 24 ARG HGy 1.0 1.8 4.0 482 331 A 24 ARG HA A 24 ARG HE 1.0 1.8 5.0 483 332 A 24 ARG HE A 24 ARG HBx 1.0 1.8 4.0 484 332 A 24 ARG HBy A 24 ARG HE 1.0 1.8 4.0 485 333 A 24 ARG HE A 24 ARG HDx 1.0 1.8 3.5 486 333 A 24 ARG HDy A 24 ARG HE 1.0 1.8 3.5 487 334 A 24 ARG HE A 24 ARG HGx 1.0 1.8 4.0 488 334 A 24 ARG HGy A 24 ARG HE 1.0 1.8 4.0 489 335 A 24 ARG H A 24 ARG HA 1.0 1.8 3.0 490 336 A 24 ARG H A 24 ARG HBx 1.0 1.8 4.0 491 336 A 24 ARG H A 24 ARG HBy 1.0 1.8 4.0 492 337 A 24 ARG H A 24 ARG HDx 1.0 1.8 5.0 493 337 A 24 ARG H A 24 ARG HDy 1.0 1.8 5.0 494 338 A 24 ARG H A 24 ARG HGx 1.0 1.8 5.0 495 338 A 24 ARG H A 24 ARG HGy 1.0 1.8 5.0 496 339 A 25 ARG HA A 25 ARG HBx 1.0 1.8 5.0 497 339 A 25 ARG HA A 25 ARG HBy 1.0 1.8 5.0 498 340 A 25 ARG HA A 25 ARG HDx 1.0 1.8 5.0 499 340 A 25 ARG HA A 25 ARG HDy 1.0 1.8 5.0 500 341 A 25 ARG HE A 25 ARG HDx 1.0 1.8 4.0 501 341 A 25 ARG HDy A 25 ARG HE 1.0 1.8 4.0 502 342 A 25 ARG H A 25 ARG HA 1.0 1.8 3.0 503 343 A 25 ARG H A 25 ARG HBx 1.0 1.8 4.0 504 343 A 25 ARG H A 25 ARG HBy 1.0 1.8 4.0 505 344 A 25 ARG H A 25 ARG HDx 1.0 1.8 5.0 506 344 A 25 ARG H A 25 ARG HDy 1.0 1.8 5.0 507 345 A 25 ARG H A 25 ARG HGx 1.0 1.8 4.0 508 345 A 25 ARG H A 25 ARG HGy 1.0 1.8 4.0 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 24 ARG H A 21 ARG O 1.0 1.8 2.4 2 2 A 21 ARG O A 24 ARG N 1.0 2.8 3.4 3 3 A 23 ARG H A 19 LEU O 1.0 1.8 2.4 4 4 A 19 LEU O A 23 ARG N 1.0 2.8 3.4 5 5 A 22 ARG H A 18 ARG O 1.0 1.8 2.4 6 6 A 18 ARG O A 22 ARG N 1.0 2.8 3.4 7 7 A 15 ALA H A 12 ALA O 1.0 1.8 2.4 8 8 A 12 ALA O A 15 ALA N 1.0 2.8 3.4 9 9 A 20 ILE H A 16 ILE O 1.0 1.8 2.4 10 10 A 16 ILE O A 20 ILE N 1.0 2.8 3.4 11 11 A 19 LEU H A 15 ALA O 1.0 1.8 2.4 12 12 A 15 ALA O A 19 LEU N 1.0 2.8 3.4 13 13 A 16 ILE H A 13 GLY O 1.0 1.8 2.4 14 14 A 13 GLY O A 16 ILE N 1.0 2.8 3.4 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 2 ILE C A 3 HIS N A 3 HIS CA A 3 HIS C 1.0 -180.0 -60.0 PHI 2 2 A 3 HIS C A 4 HIS N A 4 HIS CA A 4 HIS C 1.0 -160.0 -80.0 PHI 3 3 A 8 GLY C A 9 LEU N A 9 LEU CA A 9 LEU C 1.0 -180.0 -60.0 PHI 4 4 A 9 LEU C A 10 PHE N A 10 PHE CA A 10 PHE C 1.0 -100.0 -20.0 PHI 5 5 A 10 PHE C A 11 SER N A 11 SER CA A 11 SER C 1.0 -180.0 -60.0 PHI 6 6 A 11 SER C A 12 ALA N A 12 ALA CA A 12 ALA C 1.0 -180.0 -60.0 PHI 7 7 A 14 LYS C A 15 ALA N A 15 ALA CA A 15 ALA C 1.0 -180.0 -60.0 PHI 8 8 A 15 ALA C A 16 ILE N A 16 ILE CA A 16 ILE C 1.0 -160.0 -80.0 PHI 9 9 A 16 ILE C A 17 HIS N A 17 HIS CA A 17 HIS C 1.0 -180.0 -60.0 PHI 10 10 A 17 HIS C A 18 ARG N A 18 ARG CA A 18 ARG C 1.0 -180.0 -60.0 PHI 11 11 A 18 ARG C A 19 LEU N A 19 LEU CA A 19 LEU C 1.0 -180.0 -60.0 PHI 12 12 A 20 ILE C A 21 ARG N A 21 ARG CA A 21 ARG C 1.0 -100.0 -20.0 PHI 13 13 A 21 ARG C A 22 ARG N A 22 ARG CA A 22 ARG C 1.0 -180.0 -60.0 PHI 14 14 A 22 ARG C A 23 ARG N A 23 ARG CA A 23 ARG C 1.0 -180.0 -60.0 PHI 15 15 A 23 ARG C A 24 ARG N A 24 ARG CA A 24 ARG C 1.0 -180.0 -60.0 PHI 16 16 A 24 ARG C A 25 ARG N A 25 ARG CA A 25 ARG C 1.0 -180.0 -60.0 PHI stop_ save_