data_nef_c25948_2nav 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 2NAV stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 10 CYS SG 1 25 CYS SG 1 14 CYS SG 1 27 CYS SG 1 28 ARG C 1 29 NH2 N 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 HIS start . . 2 A 2 GLY middle . false 3 A 3 GLU middle . . 4 A 4 GLY middle . false 5 A 5 THR middle . . 6 A 6 PHE middle . . 7 A 7 THR middle . . 8 A 8 SER middle . . 9 A 9 ASP middle . . 10 A 10 CYS middle -HG . 11 A 11 SER middle . . 12 A 12 LYS middle . . 13 A 13 GLN middle . . 14 A 14 CYS middle -HG . 15 A 15 GLU middle . . 16 A 16 GLU middle . . 17 A 17 GLY middle . false 18 A 18 ILE middle . . 19 A 19 GLY middle . false 20 A 20 HIS middle . . 21 A 21 LYS middle . . 22 A 22 TYR middle . . 23 A 23 PRO middle . false 24 A 24 PHE middle . . 25 A 25 CYS middle -HG . 26 A 26 HIS middle . . 27 A 27 CYS middle -HG . 28 A 28 ARG middle . . 29 A 29 NH2 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 HIS HA H 1 4.372 0.006 A 1 HIS HBx H 1 3.399 0.009 A 1 HIS HBy H 1 3.399 0.009 A 1 HIS HD2 H 1 7.427 0.006 A 1 HIS HE1 H 1 8.677 0.003 A 2 GLY H H 1 8.944 0.000 A 2 GLY HAx H 1 4.025 0.000 A 2 GLY HAy H 1 4.025 0.000 A 3 GLU H H 1 8.773 0.000 A 3 GLU HA H 1 4.400 0.000 A 3 GLU HBx H 1 2.001 0.003 A 3 GLU HBy H 1 2.122 0.004 A 3 GLU HGx H 1 2.458 0.008 A 3 GLU HGy H 1 2.458 0.008 A 4 GLY H H 1 8.650 0.001 A 4 GLY HAx H 1 3.953 0.000 A 4 GLY HAy H 1 3.953 0.000 A 5 THR H H 1 8.104 0.004 A 5 THR HA H 1 4.278 0.002 A 5 THR HB H 1 4.113 0.003 A 5 THR HG2% H 1 1.092 0.004 A 6 PHE H H 1 8.457 0.006 A 6 PHE HA H 1 4.636 0.000 A 6 PHE HBx H 1 3.017 0.004 A 6 PHE HBy H 1 3.103 0.003 A 6 PHE HDx H 1 7.181 0.000 A 6 PHE HDy H 1 7.181 0.000 A 6 PHE HEx H 1 7.262 0.000 A 6 PHE HEy H 1 7.262 0.000 A 7 THR H H 1 8.127 0.000 A 7 THR HA H 1 4.267 0.006 A 7 THR HB H 1 4.182 0.003 A 7 THR HG2% H 1 1.149 0.000 A 8 SER H H 1 8.355 0.002 A 8 SER HA H 1 4.363 0.000 A 8 SER HBx H 1 3.852 0.006 A 8 SER HBy H 1 3.927 0.030 A 9 ASP H H 1 8.589 0.001 A 9 ASP HA H 1 4.667 0.001 A 9 ASP HBx H 1 2.714 0.000 A 9 ASP HBy H 1 2.714 0.000 A 10 CYS H H 1 8.578 0.000 A 10 CYS HA H 1 4.610 0.000 A 10 CYS HBx H 1 2.946 0.000 A 10 CYS HBy H 1 3.062 0.000 A 11 SER H H 1 8.492 0.003 A 11 SER HA H 1 4.102 0.000 A 11 SER HBx H 1 3.918 0.004 A 11 SER HBy H 1 3.918 0.004 A 12 LYS H H 1 7.752 0.003 A 12 LYS HA H 1 4.105 0.001 A 12 LYS HBx H 1 1.817 0.002 A 12 LYS HBy H 1 1.817 0.002 A 12 LYS HDx H 1 1.658 0.007 A 12 LYS HDy H 1 1.658 0.007 A 12 LYS HEx H 1 2.942 0.006 A 12 LYS HEy H 1 2.942 0.006 A 12 LYS HGx H 1 1.356 0.007 A 12 LYS HGy H 1 1.442 0.007 A 13 GLN H H 1 8.230 0.002 A 13 GLN HA H 1 3.944 0.004 A 13 GLN HBx H 1 1.646 0.000 A 13 GLN HBy H 1 2.061 0.002 A 13 GLN HE2x H 1 6.439 0.003 A 13 GLN HE2y H 1 6.961 0.052 A 13 GLN HGy H 1 2.143 0.008 A 14 CYS H H 1 8.716 0.000 A 14 CYS HA H 1 4.514 0.000 A 14 CYS HBx H 1 2.942 0.011 A 14 CYS HBy H 1 3.243 0.003 A 15 GLU H H 1 7.885 0.002 A 15 GLU HA H 1 4.274 0.000 A 15 GLU HBx H 1 2.212 0.004 A 15 GLU HBy H 1 2.212 0.004 A 15 GLU HGx H 1 2.530 0.001 A 15 GLU HGy H 1 2.604 0.002 A 16 GLU H H 1 7.962 0.000 A 16 GLU HA H 1 4.306 0.000 A 16 GLU HBx H 1 2.175 0.004 A 16 GLU HBy H 1 2.175 0.004 A 16 GLU HGx H 1 2.505 0.005 A 16 GLU HGy H 1 2.623 0.010 A 17 GLY H H 1 7.994 0.000 A 17 GLY HAy H 1 4.116 0.000 A 17 GLY HAx H 1 3.978 0.004 A 18 ILE H H 1 7.936 0.003 A 18 ILE HA H 1 4.342 0.000 A 18 ILE HB H 1 1.991 0.003 A 18 ILE HD1% H 1 0.905 0.004 A 18 ILE HG1x H 1 1.196 0.004 A 18 ILE HG1y H 1 1.428 0.003 A 19 GLY H H 1 8.643 0.000 A 19 GLY HAy H 1 3.919 0.000 A 19 GLY HAx H 1 3.710 0.000 A 20 HIS H H 1 8.409 0.000 A 20 HIS HA H 1 4.490 0.003 A 20 HIS HBx H 1 3.108 0.003 A 20 HIS HBy H 1 3.108 0.003 A 20 HIS HD2 H 1 7.085 0.004 A 20 HIS HE1 H 1 8.580 0.000 A 21 LYS H H 1 7.977 0.000 A 21 LYS HA H 1 4.073 0.003 A 21 LYS HBx H 1 1.498 0.000 A 21 LYS HBy H 1 1.539 0.000 A 21 LYS HEx H 1 2.897 0.001 A 21 LYS HEy H 1 2.897 0.001 A 21 LYS HGx H 1 1.041 0.000 A 21 LYS HGy H 1 1.181 0.005 A 22 TYR H H 1 8.145 0.006 A 22 TYR HA H 1 4.728 0.008 A 22 TYR HBy H 1 2.597 0.007 A 22 TYR HBx H 1 2.522 0.001 A 22 TYR HDx H 1 7.065 0.057 A 22 TYR HDy H 1 7.065 0.057 A 22 TYR HEx H 1 6.786 0.058 A 22 TYR HEy H 1 6.786 0.058 A 23 PRO HA H 1 4.232 0.007 A 23 PRO HBx H 1 1.722 0.000 A 23 PRO HBy H 1 2.159 0.004 A 23 PRO HDx H 1 3.606 0.000 A 23 PRO HDy H 1 3.606 0.000 A 23 PRO HGx H 1 1.852 0.002 A 23 PRO HGy H 1 1.924 0.002 A 24 PHE H H 1 7.487 0.116 A 24 PHE HA H 1 4.479 0.004 A 24 PHE HBx H 1 3.181 0.003 A 24 PHE HBy H 1 3.181 0.003 A 24 PHE HDx H 1 7.192 0.000 A 24 PHE HDy H 1 7.192 0.000 A 24 PHE HEx H 1 7.312 0.065 A 24 PHE HEy H 1 7.312 0.065 A 25 CYS H H 1 7.692 0.002 A 25 CYS HA H 1 4.829 0.004 A 25 CYS HBy H 1 2.924 0.064 A 25 CYS HBx H 1 2.893 0.056 A 26 HIS H H 1 8.651 0.002 A 26 HIS HA H 1 4.649 0.000 A 26 HIS HBx H 1 3.209 0.000 A 26 HIS HBy H 1 3.209 0.000 A 26 HIS HD2 H 1 7.236 0.007 A 26 HIS HE1 H 1 8.590 0.000 A 27 CYS H H 1 8.739 0.001 A 27 CYS HA H 1 4.694 0.002 A 27 CYS HBx H 1 2.720 0.007 A 27 CYS HBy H 1 3.307 0.000 A 28 ARG H H 1 8.881 0.005 A 28 ARG HA H 1 4.277 0.002 A 28 ARG HBy H 1 1.833 0.003 A 28 ARG HBx H 1 1.773 0.003 A 28 ARG HDx H 1 3.200 0.004 A 28 ARG HDy H 1 3.200 0.004 A 28 ARG HGy H 1 1.690 0.006 A 28 ARG HGx H 1 1.640 0.023 A 29 NH2 HNy H 1 7.782 0.000 A 29 NH2 HNx H 1 7.245 0.000 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 2 GLY H A 1 HIS HBx 1.0 0.0 4.40 2 1 A 1 HIS HBy A 2 GLY H 1.0 0.0 4.40 3 2 A 28 ARG H A 28 ARG HBy 1.0 0.0 3.79 4 3 A 28 ARG H A 28 ARG HBx 1.0 0.0 3.79 5 4 A 28 ARG H A 28 ARG HGy 1.0 0.0 4.89 6 5 A 3 GLU H A 3 GLU HGx 1.0 0.0 4.33 7 5 A 3 GLU H A 3 GLU HGy 1.0 0.0 4.33 8 6 A 3 GLU H A 3 GLU HBx 1.0 0.0 4.15 9 7 A 3 GLU H A 3 GLU HBy 1.0 0.0 4.15 10 8 A 27 CYS H A 27 CYS HBx 1.0 0.0 4.01 11 9 A 27 CYS H A 27 CYS HBy 1.0 0.0 4.01 12 10 A 9 ASP H A 9 ASP HBx 1.0 0.0 3.11 13 10 A 9 ASP H A 9 ASP HBy 1.0 0.0 3.11 14 11 A 9 ASP HA A 10 CYS H 1.0 0.0 3.50 15 12 A 11 SER H A 11 SER HBx 1.0 0.0 3.05 16 12 A 11 SER H A 11 SER HBy 1.0 0.0 3.05 17 13 A 6 PHE H A 6 PHE HBx 1.0 0.0 3.35 18 14 A 6 PHE H A 6 PHE HBy 1.0 0.0 3.35 19 15 A 20 HIS H A 20 HIS HBx 1.0 0.0 3.36 20 15 A 20 HIS H A 20 HIS HBy 1.0 0.0 3.36 21 16 A 8 SER H A 8 SER HBx 1.0 0.0 3.57 22 17 A 8 SER H A 8 SER HBy 1.0 0.0 3.57 23 18 A 22 TYR H A 22 TYR HBx 1.0 0.0 3.88 24 19 A 5 THR H A 5 THR HG2% 1.0 0.0 3.82 25 20 A 5 THR H A 5 THR HB 1.0 0.0 3.81 26 21 A 7 THR H A 7 THR HB 1.0 0.0 3.82 27 22 A 7 THR H A 7 THR HG2% 1.0 0.0 3.83 28 23 A 21 LYS H A 21 LYS HBx 1.0 0.0 3.76 29 24 A 16 GLU H A 16 GLU HBx 1.0 0.0 3.42 30 24 A 16 GLU H A 16 GLU HBy 1.0 0.0 3.42 31 25 A 16 GLU H A 16 GLU HGy 1.0 0.0 3.96 32 26 A 16 GLU H A 16 GLU HGx 1.0 0.0 3.96 33 27 A 15 GLU H A 15 GLU HGx 1.0 0.0 4.47 34 28 A 15 GLU H A 15 GLU HGy 1.0 0.0 4.47 35 29 A 15 GLU H A 15 GLU HBx 1.0 0.0 3.16 36 29 A 15 GLU H A 15 GLU HBy 1.0 0.0 3.16 37 30 A 18 ILE H A 18 ILE HB 1.0 0.0 3.60 38 31 A 18 ILE H A 18 ILE HD1% 1.0 0.0 3.94 39 32 A 12 LYS H A 12 LYS HBx 1.0 0.0 3.45 40 32 A 12 LYS H A 12 LYS HBy 1.0 0.0 3.45 41 33 A 11 SER HA A 11 SER HBx 1.0 0.0 3.00 42 33 A 11 SER HBy A 11 SER HA 1.0 0.0 3.00 43 34 A 12 LYS HA A 12 LYS HDx 1.0 0.0 3.96 44 34 A 12 LYS HA A 12 LYS HDy 1.0 0.0 3.96 45 35 A 12 LYS HA A 12 LYS HBx 1.0 0.0 2.97 46 35 A 12 LYS HBy A 12 LYS HA 1.0 0.0 2.97 47 36 A 28 ARG HA A 28 ARG HGy 1.0 0.0 4.25 48 37 A 7 THR HG2% A 7 THR HA 1.0 0.0 3.33 49 38 A 5 THR HG2% A 5 THR HA 1.0 0.0 3.50 50 39 A 18 ILE HD1% A 18 ILE HA 1.0 0.0 4.01 51 40 A 18 ILE HB A 18 ILE HD1% 1.0 0.0 2.86 52 41 A 12 LYS HA A 12 LYS HGx 1.0 0.0 3.86 53 42 A 12 LYS HA A 12 LYS HGy 1.0 0.0 3.86 54 43 A 3 GLU HA A 3 GLU HGx 1.0 0.0 3.90 55 43 A 3 GLU HGy A 3 GLU HA 1.0 0.0 3.90 56 44 A 15 GLU HA A 15 GLU HGx 1.0 0.0 4.18 57 45 A 16 GLU HA A 16 GLU HGx 1.0 0.0 3.95 58 46 A 20 HIS HA A 20 HIS HBx 1.0 0.0 2.97 59 46 A 20 HIS HBy A 20 HIS HA 1.0 0.0 2.97 60 47 A 22 TYR H A 22 TYR HD% 1.0 0.0 3.88 61 48 A 22 TYR HD% A 22 TYR HA 1.0 0.0 3.23 62 49 A 22 TYR HA A 22 TYR HE% 1.0 0.0 4.96 63 50 A 6 PHE H A 5 THR HB 1.0 0.0 3.61 64 51 A 6 PHE H A 5 THR HG2% 1.0 0.0 4.12 65 52 A 22 TYR H A 20 HIS HBx 1.0 0.0 5.30 66 52 A 20 HIS HBy A 22 TYR H 1.0 0.0 5.30 67 53 A 7 THR H A 6 PHE HA 1.0 0.0 3.09 68 54 A 8 SER H A 7 THR HB 1.0 0.0 4.20 69 55 A 8 SER H A 7 THR HG2% 1.0 0.0 3.96 70 56 A 5 THR H A 4 GLY HAx 1.0 0.0 2.89 71 56 A 5 THR H A 4 GLY HAy 1.0 0.0 2.89 72 57 A 3 GLU HA A 4 GLY H 1.0 0.0 3.24 73 58 A 3 GLU H A 2 GLY HAx 1.0 0.0 3.25 74 58 A 3 GLU H A 2 GLY HAy 1.0 0.0 3.25 75 59 A 6 PHE HD% A 8 SER HA 1.0 0.0 5.12 76 60 A 9 ASP H A 8 SER HA 1.0 0.0 3.17 77 61 A 9 ASP H A 8 SER HBx 1.0 0.0 4.54 78 62 A 9 ASP H A 8 SER HBy 1.0 0.0 4.54 79 63 A 12 LYS H A 11 SER HBx 1.0 0.0 3.90 80 63 A 11 SER HBy A 12 LYS H 1.0 0.0 3.90 81 64 A 12 LYS H A 12 LYS HGx 1.0 0.0 4.73 82 65 A 12 LYS H A 12 LYS HGy 1.0 0.0 4.73 83 66 A 13 GLN H A 12 LYS HBx 1.0 0.0 3.30 84 66 A 12 LYS HBy A 13 GLN H 1.0 0.0 3.30 85 67 A 13 GLN H A 12 LYS HGx 1.0 0.0 5.48 86 68 A 13 GLN H A 12 LYS HGy 1.0 0.0 5.48 87 69 A 12 LYS H A 13 GLN H 1.0 0.0 3.52 88 70 A 13 GLN HBx A 14 CYS H 1.0 0.0 4.11 89 71 A 13 GLN H A 14 CYS H 1.0 0.0 3.74 90 72 A 18 ILE H A 18 ILE HG1x 1.0 0.0 3.81 91 73 A 18 ILE H A 18 ILE HG1y 1.0 0.0 3.81 92 74 A 16 GLU H A 17 GLY H 1.0 0.0 5.50 93 75 A 18 ILE H A 17 GLY H 1.0 0.0 5.50 94 76 A 18 ILE H A 19 GLY H 1.0 0.0 3.45 95 77 A 18 ILE HB A 19 GLY H 1.0 0.0 3.90 96 78 A 19 GLY H A 18 ILE HG1x 1.0 0.0 4.86 97 79 A 19 GLY H A 18 ILE HG1y 1.0 0.0 4.86 98 80 A 18 ILE HD1% A 19 GLY H 1.0 0.0 4.26 99 81 A 20 HIS H A 19 GLY H 1.0 0.0 3.75 100 82 A 21 LYS H A 20 HIS HA 1.0 0.0 3.42 101 83 A 21 LYS H A 20 HIS HBx 1.0 0.0 3.91 102 83 A 20 HIS HBy A 21 LYS H 1.0 0.0 3.91 103 84 A 16 GLU H A 15 GLU HBx 1.0 0.0 3.72 104 84 A 16 GLU H A 15 GLU HBy 1.0 0.0 3.72 105 85 A 17 GLY H A 16 GLU HBx 1.0 0.0 3.62 106 85 A 16 GLU HBy A 17 GLY H 1.0 0.0 3.62 107 86 A 14 CYS H A 14 CYS HBy 1.0 0.0 4.19 108 87 A 14 CYS H A 14 CYS HBx 1.0 0.0 4.19 109 88 A 15 GLU H A 14 CYS HBy 1.0 0.0 4.19 110 89 A 15 GLU H A 14 CYS HBx 1.0 0.0 4.19 111 90 A 22 TYR H A 21 LYS HA 1.0 0.0 3.45 112 91 A 22 TYR H A 21 LYS H 1.0 0.0 3.50 113 92 A 28 ARG H A 27 CYS HA 1.0 0.0 3.02 114 93 A 28 ARG H A 27 CYS HBy 1.0 0.0 4.30 115 94 A 28 ARG H A 27 CYS HBx 1.0 0.0 4.30 116 95 A 13 GLN HBx A 13 GLN HE2x 1.0 0.0 4.55 117 96 A 15 GLU H A 14 CYS H 1.0 0.0 3.91 118 97 A 25 CYS H A 25 CYS HBx 1.0 0.0 3.86 119 98 A 25 CYS H A 25 CYS HBy 1.0 0.0 3.86 120 99 A 25 CYS HA A 26 HIS H 1.0 0.0 3.33 121 100 A 26 HIS H A 25 CYS HBx 1.0 0.0 4.75 122 101 A 26 HIS H A 25 CYS HBy 1.0 0.0 4.75 123 102 A 22 TYR H A 21 LYS HBx 1.0 0.0 4.34 124 103 A 27 CYS H A 26 HIS H 1.0 0.0 5.50 125 104 A 5 THR H A 4 GLY H 1.0 0.0 4.05 126 105 A 9 ASP H A 8 SER H 1.0 0.0 4.55 127 106 A 11 SER H A 12 LYS H 1.0 0.0 3.61 128 107 A 6 PHE H A 5 THR H 1.0 0.0 3.42 129 108 A 20 HIS H A 22 TYR HD% 1.0 0.0 4.69 130 109 A 8 SER H A 7 THR H 1.0 0.0 3.53 131 110 A 20 HIS H A 18 ILE HD1% 1.0 0.0 4.61 132 111 A 22 TYR HA A 23 PRO HDx 1.0 0.0 2.83 133 111 A 22 TYR HA A 23 PRO HDy 1.0 0.0 2.83 134 112 A 22 TYR HBx A 23 PRO HDx 1.0 0.0 4.28 135 112 A 22 TYR HBx A 23 PRO HDy 1.0 0.0 4.28 136 113 A 15 GLU HA A 15 GLU HGy 1.0 0.0 4.18 137 114 A 16 GLU HA A 16 GLU HGy 1.0 0.0 3.95 138 115 A 22 TYR H A 22 TYR HBy 1.0 0.0 3.67 139 116 A 23 PRO HA A 24 PHE HD% 1.0 0.0 5.33 140 117 A 24 PHE HD% A 23 PRO HDx 1.0 0.0 4.32 141 117 A 23 PRO HDy A 24 PHE HD% 1.0 0.0 4.32 142 118 A 25 CYS H A 23 PRO HA 1.0 0.0 4.59 143 119 A 24 PHE H A 24 PHE HBx 1.0 0.0 3.58 144 119 A 24 PHE H A 24 PHE HBy 1.0 0.0 3.58 145 120 A 25 CYS H A 24 PHE HBx 1.0 0.0 4.06 146 120 A 25 CYS H A 24 PHE HBy 1.0 0.0 4.06 147 121 A 24 PHE H A 23 PRO HDx 1.0 0.0 4.57 148 121 A 23 PRO HDy A 24 PHE H 1.0 0.0 4.57 149 122 A 22 TYR H A 23 PRO HDx 1.0 0.0 4.43 150 122 A 22 TYR H A 23 PRO HDy 1.0 0.0 4.43 151 123 A 26 HIS HA A 26 HIS HBx 1.0 0.0 2.88 152 123 A 26 HIS HA A 26 HIS HBy 1.0 0.0 2.88 153 124 A 26 HIS H A 26 HIS HBx 1.0 0.0 3.44 154 124 A 26 HIS H A 26 HIS HBy 1.0 0.0 3.44 155 125 A 28 ARG H A 28 ARG HDx 1.0 0.0 4.00 156 125 A 28 ARG H A 28 ARG HDy 1.0 0.0 4.00 157 126 A 27 CYS H A 26 HIS HA 1.0 0.0 3.21 158 127 A 20 HIS HD2 A 20 HIS HBx 1.0 0.0 3.72 159 127 A 20 HIS HBy A 20 HIS HD2 1.0 0.0 3.72 160 128 A 26 HIS HD2 A 26 HIS HBx 1.0 0.0 3.32 161 128 A 26 HIS HBy A 26 HIS HD2 1.0 0.0 3.32 162 129 A 13 GLN H A 13 GLN HBx 1.0 0.0 3.24 163 130 A 12 LYS H A 12 LYS HDx 1.0 0.0 5.46 164 130 A 12 LYS H A 12 LYS HDy 1.0 0.0 5.46 165 131 A 1 HIS HA A 1 HIS HD2 1.0 0.0 5.50 166 132 A 24 PHE HD% A 24 PHE H 1.0 0.0 3.71 167 133 A 22 TYR H A 23 PRO HBy 1.0 0.0 5.39 168 134 A 24 PHE HE% A 23 PRO HGx 1.0 0.0 5.50 169 135 A 24 PHE HE% A 23 PRO HGy 1.0 0.0 5.50 170 136 A 22 TYR HBx A 24 PHE HE% 1.0 0.0 5.15 171 137 A 22 TYR HBy A 24 PHE HE% 1.0 0.0 5.50 172 138 A 22 TYR HBy A 24 PHE HD% 1.0 0.0 5.50 173 139 A 22 TYR HBx A 24 PHE HD% 1.0 0.0 5.27 174 140 A 24 PHE HD% A 24 PHE HA 1.0 0.0 3.70 175 141 A 22 TYR HD% A 23 PRO HDx 1.0 0.0 3.77 176 141 A 22 TYR HD% A 23 PRO HDy 1.0 0.0 3.77 177 142 A 21 LYS HBx A 22 TYR HD% 1.0 0.0 4.54 178 143 A 20 HIS HD2 A 21 LYS HGy 1.0 0.0 5.50 179 144 A 18 ILE HD1% A 22 TYR HD% 1.0 0.0 4.54 180 145 A 18 ILE HD1% A 22 TYR HE% 1.0 0.0 3.75 181 146 A 20 HIS HD2 A 21 LYS HGx 1.0 0.0 5.50 182 147 A 22 TYR HE% A 18 ILE HG1y 1.0 0.0 4.55 183 148 A 22 TYR HE% A 18 ILE HG1x 1.0 0.0 4.55 184 149 A 18 ILE HB A 22 TYR HD% 1.0 0.0 4.74 185 150 A 18 ILE HB A 22 TYR HE% 1.0 0.0 4.88 186 151 A 22 TYR HE% A 20 HIS HBx 1.0 0.0 4.02 187 151 A 20 HIS HBy A 22 TYR HE% 1.0 0.0 4.02 188 152 A 24 PHE HE% A 24 PHE HA 1.0 0.0 5.50 189 153 A 6 PHE HA A 6 PHE HD% 1.0 0.0 3.57 190 154 A 6 PHE HA A 6 PHE HE% 1.0 0.0 4.64 191 155 A 8 SER H A 9 ASP HBx 1.0 0.0 4.98 192 155 A 9 ASP HBy A 8 SER H 1.0 0.0 4.98 193 156 A 13 GLN H A 9 ASP HBx 1.0 0.0 4.94 194 156 A 9 ASP HBy A 13 GLN H 1.0 0.0 4.94 195 157 A 11 SER H A 12 LYS HBx 1.0 0.0 4.72 196 157 A 11 SER H A 12 LYS HBy 1.0 0.0 4.72 197 158 A 9 ASP H A 12 LYS HBx 1.0 0.0 4.27 198 158 A 9 ASP H A 12 LYS HBy 1.0 0.0 4.27 199 159 A 10 CYS H A 13 GLN HBx 1.0 0.0 5.50 200 160 A 11 SER H A 13 GLN HBx 1.0 0.0 5.50 201 161 A 13 GLN H A 13 GLN HBy 1.0 0.0 3.71 202 162 A 21 LYS HBx A 22 TYR HE% 1.0 0.0 4.15 203 163 A 7 THR HG2% A 6 PHE HD% 1.0 0.0 4.85 204 164 A 7 THR HG2% A 6 PHE HE% 1.0 0.0 5.50 205 165 A 5 THR HG2% A 6 PHE HE% 1.0 0.0 5.49 206 166 A 5 THR HG2% A 6 PHE HD% 1.0 0.0 5.42 207 167 A 9 ASP H A 7 THR HG2% 1.0 0.0 4.89 208 168 A 22 TYR HD% A 21 LYS HA 1.0 0.0 4.81 209 169 A 22 TYR HE% A 21 LYS HA 1.0 0.0 5.50 210 170 A 22 TYR HD% A 19 GLY HAx 1.0 0.0 4.89 211 171 A 22 TYR HE% A 19 GLY HAx 1.0 0.0 5.50 212 172 A 22 TYR HE% A 23 PRO HDx 1.0 0.0 5.50 213 172 A 22 TYR HE% A 23 PRO HDy 1.0 0.0 5.50 214 173 A 5 THR HB A 6 PHE HD% 1.0 0.0 5.39 215 174 A 22 TYR HD% A 19 GLY HAy 1.0 0.0 4.89 216 175 A 13 GLN HA A 12 LYS HBx 1.0 0.0 4.00 217 175 A 12 LYS HBy A 13 GLN HA 1.0 0.0 4.00 218 176 A 22 TYR HBy A 23 PRO HDx 1.0 0.0 4.45 219 176 A 23 PRO HDy A 22 TYR HBy 1.0 0.0 4.45 220 177 A 22 TYR HBx A 25 CYS H 1.0 0.0 5.38 221 178 A 25 CYS H A 22 TYR HBy 1.0 0.0 5.05 222 179 A 22 TYR HE% A 19 GLY HAy 1.0 0.0 5.50 223 180 A 6 PHE HD% A 9 ASP HBx 1.0 0.0 5.50 224 180 A 9 ASP HBy A 6 PHE HD% 1.0 0.0 5.50 225 181 A 22 TYR HD% A 13 GLN HBy 1.0 0.0 4.11 226 182 A 22 TYR HE% A 13 GLN HBy 1.0 0.0 4.49 227 183 A 20 HIS HA A 20 HIS HD2 1.0 0.0 4.56 228 184 A 20 HIS HA A 22 TYR HE% 1.0 0.0 5.50 229 185 A 18 ILE HA A 22 TYR HD% 1.0 0.0 5.50 230 186 A 18 ILE HA A 22 TYR HE% 1.0 0.0 5.25 231 187 A 14 CYS H A 13 GLN HBy 1.0 0.0 4.20 232 188 A 14 CYS H A 12 LYS HBx 1.0 0.0 4.92 233 188 A 12 LYS HBy A 14 CYS H 1.0 0.0 4.92 234 189 A 9 ASP H A 12 LYS HDx 1.0 0.0 5.15 235 189 A 9 ASP H A 12 LYS HDy 1.0 0.0 5.15 236 190 A 11 SER H A 9 ASP HBx 1.0 0.0 4.42 237 190 A 9 ASP HBy A 11 SER H 1.0 0.0 4.42 238 191 A 11 SER H A 10 CYS HBx 1.0 0.0 4.13 239 192 A 4 GLY H A 3 GLU HGx 1.0 0.0 4.78 240 192 A 3 GLU HGy A 4 GLY H 1.0 0.0 4.78 241 193 A 24 PHE HD% A 23 PRO HBy 1.0 0.0 5.12 242 194 A 11 SER H A 13 GLN H 1.0 0.0 5.50 243 195 A 28 ARG H A 27 CYS H 1.0 0.0 4.80 244 196 A 22 TYR HD% A 13 GLN H 1.0 0.0 5.50 245 197 A 6 PHE H A 6 PHE HD% 1.0 0.0 4.52 246 198 A 7 THR H A 6 PHE HD% 1.0 0.0 4.53 247 199 A 21 LYS H A 20 HIS HD2 1.0 0.0 5.26 248 200 A 21 LYS H A 22 TYR HD% 1.0 0.0 5.50 249 201 A 12 LYS HA A 15 GLU HBx 1.0 0.0 3.58 250 201 A 15 GLU HBy A 12 LYS HA 1.0 0.0 3.58 251 202 A 8 SER HA A 9 ASP HBx 1.0 0.0 5.08 252 202 A 9 ASP HBy A 8 SER HA 1.0 0.0 5.08 253 203 A 11 SER HA A 9 ASP HBx 1.0 0.0 5.50 254 203 A 9 ASP HBy A 11 SER HA 1.0 0.0 5.50 255 204 A 12 LYS HA A 9 ASP HBx 1.0 0.0 5.50 256 204 A 9 ASP HBy A 12 LYS HA 1.0 0.0 5.50 257 205 A 22 TYR HBy A 25 CYS HBx 1.0 0.0 4.39 258 206 A 22 TYR HBy A 25 CYS HBy 1.0 0.0 4.39 259 207 A 13 GLN HBx A 10 CYS HA 1.0 0.0 3.61 260 208 A 22 TYR HA A 23 PRO HGy 1.0 0.0 4.93 261 209 A 22 TYR HA A 23 PRO HGx 1.0 0.0 4.93 262 210 A 18 ILE HD1% A 13 GLN HA 1.0 0.0 3.75 263 211 A 5 THR HA A 6 PHE HA 1.0 0.0 5.39 264 212 A 20 HIS HA A 21 LYS HA 1.0 0.0 5.50 265 213 A 13 GLN HA A 14 CYS HA 1.0 0.0 4.85 266 214 A 7 THR HA A 6 PHE HA 1.0 0.0 4.69 267 215 A 9 ASP HA A 12 LYS HBx 1.0 0.0 4.99 268 215 A 9 ASP HA A 12 LYS HBy 1.0 0.0 4.99 269 216 A 9 ASP HA A 12 LYS HDx 1.0 0.0 5.50 270 216 A 9 ASP HA A 12 LYS HDy 1.0 0.0 5.50 271 217 A 21 LYS HBx A 20 HIS HA 1.0 0.0 4.90 272 218 A 23 PRO HBy A 24 PHE HE% 1.0 0.0 5.50 273 219 A 15 GLU H A 12 LYS HA 1.0 0.0 4.12 274 220 A 8 SER H A 6 PHE HA 1.0 0.0 4.47 275 221 A 10 CYS H A 10 CYS HBy 1.0 0.0 3.52 276 222 A 13 GLN H A 10 CYS HA 1.0 0.0 4.01 277 223 A 25 CYS HA A 26 HIS HBx 1.0 0.0 4.70 278 223 A 25 CYS HA A 26 HIS HBy 1.0 0.0 4.70 279 224 A 13 GLN HBy A 10 CYS HA 1.0 0.0 4.62 280 225 A 13 GLN H A 12 LYS HEx 1.0 0.0 5.50 281 225 A 13 GLN H A 12 LYS HEy 1.0 0.0 5.50 282 226 A 27 CYS H A 25 CYS HA 1.0 0.0 5.43 283 227 A 27 CYS H A 26 HIS HBx 1.0 0.0 3.96 284 227 A 27 CYS H A 26 HIS HBy 1.0 0.0 3.96 285 228 A 15 GLU H A 12 LYS HBx 1.0 0.0 5.22 286 228 A 15 GLU H A 12 LYS HBy 1.0 0.0 5.22 287 229 A 13 GLN HE2x A 13 GLN HBy 1.0 0.0 5.45 288 230 A 13 GLN HA A 13 GLN HE2y 1.0 0.0 5.50 289 231 A 13 GLN HE2x A 13 GLN HA 1.0 0.0 5.45 290 232 A 13 GLN HE2y A 9 ASP HBx 1.0 0.0 5.50 291 232 A 9 ASP HBy A 13 GLN HE2y 1.0 0.0 5.50 292 233 A 22 TYR HD% A 13 GLN HBx 1.0 0.0 4.30 293 234 A 22 TYR HE% A 13 GLN HBx 1.0 0.0 4.90 294 235 A 22 TYR H A 21 LYS HBy 1.0 0.0 4.52 295 236 A 22 TYR HD% A 21 LYS HBy 1.0 0.0 4.45 296 237 A 22 TYR HE% A 21 LYS HBy 1.0 0.0 4.43 297 238 A 24 PHE HE% A 23 PRO HBx 1.0 0.0 5.38 298 239 A 24 PHE HD% A 23 PRO HBx 1.0 0.0 4.99 299 240 A 24 PHE HE% A 23 PRO HDx 1.0 0.0 4.70 300 240 A 23 PRO HDy A 24 PHE HE% 1.0 0.0 4.70 301 241 A 8 SER HA A 6 PHE HE% 1.0 0.0 5.19 302 242 A 15 GLU H A 13 GLN HA 1.0 0.0 5.04 303 243 A 28 ARG H A 28 ARG HGx 1.0 0.0 4.89 304 244 A 28 ARG HA A 28 ARG HGx 1.0 0.0 4.25 305 245 A 10 CYS H A 10 CYS HBx 1.0 0.0 3.52 306 246 A 11 SER H A 10 CYS HBy 1.0 0.0 4.13 307 247 A 26 HIS HA A 26 HIS HD2 1.0 0.0 4.18 308 248 A 24 PHE HA A 24 PHE HBx 1.0 0.0 2.98 309 248 A 24 PHE HBy A 24 PHE HA 1.0 0.0 2.98 310 249 A 28 ARG HDy A 28 ARG HBy 1.0 0.0 3.95 311 249 A 28 ARG HBy A 28 ARG HDx 1.0 0.0 3.95 312 250 A 28 ARG HDy A 28 ARG HBx 1.0 0.0 3.95 313 250 A 28 ARG HBx A 28 ARG HDx 1.0 0.0 3.95 314 251 A 28 ARG HA A 28 ARG HDx 1.0 0.0 4.67 315 251 A 28 ARG HA A 28 ARG HDy 1.0 0.0 4.67 316 252 A 12 LYS HA A 12 LYS HEx 1.0 0.0 4.61 317 252 A 12 LYS HA A 12 LYS HEy 1.0 0.0 4.61 318 253 A 12 LYS HBy A 12 LYS HEx 1.0 0.0 3.98 319 253 A 12 LYS HBx A 12 LYS HEx 1.0 0.0 3.98 320 253 A 12 LYS HEy A 12 LYS HBx 1.0 0.0 3.98 321 253 A 12 LYS HBy A 12 LYS HEy 1.0 0.0 3.98 322 254 A 12 LYS HBy A 12 LYS HDx 1.0 0.0 2.65 323 254 A 12 LYS HBx A 12 LYS HDx 1.0 0.0 2.65 324 254 A 12 LYS HDy A 12 LYS HBx 1.0 0.0 2.65 325 254 A 12 LYS HBy A 12 LYS HDy 1.0 0.0 2.65 326 255 A 21 LYS HBx A 21 LYS HEx 1.0 0.0 5.50 327 255 A 21 LYS HBx A 21 LYS HEy 1.0 0.0 5.50 328 256 A 21 LYS HBy A 21 LYS HEx 1.0 0.0 5.50 329 256 A 21 LYS HBy A 21 LYS HEy 1.0 0.0 5.50 330 257 A 21 LYS HA A 21 LYS HEx 1.0 0.0 5.50 331 257 A 21 LYS HA A 21 LYS HEy 1.0 0.0 5.50 332 258 A 16 GLU HBy A 18 ILE HG1x 1.0 0.0 4.07 333 258 A 18 ILE HG1x A 16 GLU HBx 1.0 0.0 4.07 334 259 A 16 GLU HBy A 18 ILE HG1y 1.0 0.0 4.07 335 259 A 16 GLU HBx A 18 ILE HG1y 1.0 0.0 4.07 336 260 A 22 TYR HD% A 13 GLN HA 1.0 0.0 5.10 337 261 A 22 TYR HE% A 13 GLN HA 1.0 0.0 5.21 338 262 A 25 CYS H A 26 HIS H 1.0 0.0 5.00 339 263 A 26 HIS H A 26 HIS HD2 1.0 0.0 5.21 340 264 A 3 GLU H A 3 GLU HBy 1.0 0.0 3.48 341 264 A 3 GLU H A 3 GLU HBx 1.0 0.0 3.48 342 265 A 4 GLY H A 3 GLU HBy 1.0 0.0 3.98 343 265 A 4 GLY H A 3 GLU HBx 1.0 0.0 3.98 344 266 A 6 PHE H A 6 PHE HBx 1.0 0.0 2.90 345 266 A 6 PHE H A 6 PHE HBy 1.0 0.0 2.90 346 267 A 7 THR H A 6 PHE HBx 1.0 0.0 3.79 347 267 A 7 THR H A 6 PHE HBy 1.0 0.0 3.79 348 268 A 6 PHE HD% A 8 SER HBy 1.0 0.0 4.54 349 268 A 6 PHE HD% A 8 SER HBx 1.0 0.0 4.54 350 269 A 6 PHE HE% A 8 SER HBy 1.0 0.0 4.18 351 269 A 6 PHE HE% A 8 SER HBx 1.0 0.0 4.18 352 270 A 9 ASP H A 8 SER HBy 1.0 0.0 3.93 353 270 A 9 ASP H A 8 SER HBx 1.0 0.0 3.93 354 271 A 8 SER HBy A 9 ASP HBx 1.0 0.0 5.34 355 271 A 8 SER HBx A 9 ASP HBx 1.0 0.0 5.34 356 271 A 9 ASP HBy A 8 SER HBy 1.0 0.0 5.34 357 271 A 9 ASP HBy A 8 SER HBx 1.0 0.0 5.34 358 272 A 10 CYS H A 10 CYS HBy 1.0 0.0 2.98 359 272 A 10 CYS H A 10 CYS HBx 1.0 0.0 2.98 360 273 A 10 CYS H A 13 GLN HGx 1.0 0.0 4.68 361 273 A 10 CYS H A 13 GLN HGy 1.0 0.0 4.68 362 274 A 10 CYS HA A 13 GLN HGx 1.0 0.0 3.92 363 274 A 10 CYS HA A 13 GLN HGy 1.0 0.0 3.92 364 275 A 11 SER H A 10 CYS HBy 1.0 0.0 3.43 365 275 A 11 SER H A 10 CYS HBx 1.0 0.0 3.43 366 276 A 13 GLN H A 10 CYS HBy 1.0 0.0 5.34 367 276 A 13 GLN H A 10 CYS HBx 1.0 0.0 5.34 368 277 A 12 LYS H A 12 LYS HGy 1.0 0.0 4.11 369 277 A 12 LYS H A 12 LYS HGx 1.0 0.0 4.11 370 278 A 12 LYS HA A 15 GLU HGx 1.0 0.0 3.95 371 278 A 12 LYS HA A 15 GLU HGy 1.0 0.0 3.95 372 279 A 13 GLN H A 12 LYS HGy 1.0 0.0 4.72 373 279 A 13 GLN H A 12 LYS HGx 1.0 0.0 4.72 374 280 A 13 GLN H A 13 GLN HGx 1.0 0.0 3.39 375 280 A 13 GLN H A 13 GLN HGy 1.0 0.0 3.39 376 281 A 13 GLN H A 14 CYS HBy 1.0 0.0 5.34 377 281 A 13 GLN H A 14 CYS HBx 1.0 0.0 5.34 378 282 A 13 GLN HA A 13 GLN HGx 1.0 0.0 3.51 379 282 A 13 GLN HA A 13 GLN HGy 1.0 0.0 3.51 380 283 A 13 GLN HA A 16 GLU HGx 1.0 0.0 4.56 381 283 A 13 GLN HA A 16 GLU HGy 1.0 0.0 4.56 382 284 A 13 GLN HA A 18 ILE HG1y 1.0 0.0 4.05 383 284 A 13 GLN HA A 18 ILE HG1x 1.0 0.0 4.05 384 285 A 14 CYS H A 13 GLN HGx 1.0 0.0 4.92 385 285 A 14 CYS H A 13 GLN HGy 1.0 0.0 4.92 386 286 A 22 TYR HD% A 13 GLN HGx 1.0 0.0 4.30 387 286 A 22 TYR HD% A 13 GLN HGy 1.0 0.0 4.30 388 287 A 22 TYR HE% A 13 GLN HGx 1.0 0.0 4.45 389 287 A 22 TYR HE% A 13 GLN HGy 1.0 0.0 4.45 390 288 A 14 CYS H A 14 CYS HBy 1.0 0.0 3.40 391 288 A 14 CYS H A 14 CYS HBx 1.0 0.0 3.40 392 289 A 15 GLU H A 14 CYS HBy 1.0 0.0 3.55 393 289 A 15 GLU H A 14 CYS HBx 1.0 0.0 3.55 394 290 A 15 GLU H A 15 GLU HGx 1.0 0.0 3.93 395 290 A 15 GLU H A 15 GLU HGy 1.0 0.0 3.93 396 291 A 15 GLU HA A 15 GLU HGx 1.0 0.0 3.61 397 291 A 15 GLU HA A 15 GLU HGy 1.0 0.0 3.61 398 292 A 16 GLU H A 16 GLU HGx 1.0 0.0 3.43 399 292 A 16 GLU H A 16 GLU HGy 1.0 0.0 3.43 400 293 A 16 GLU HBy A 18 ILE HG1y 1.0 0.0 3.43 401 293 A 16 GLU HBx A 18 ILE HG1y 1.0 0.0 3.43 402 293 A 18 ILE HG1x A 16 GLU HBx 1.0 0.0 3.43 403 293 A 16 GLU HBy A 18 ILE HG1x 1.0 0.0 3.43 404 294 A 18 ILE H A 18 ILE HG1y 1.0 0.0 3.28 405 294 A 18 ILE H A 18 ILE HG1x 1.0 0.0 3.28 406 295 A 18 ILE HA A 18 ILE HG1y 1.0 0.0 3.70 407 295 A 18 ILE HA A 18 ILE HG1x 1.0 0.0 3.70 408 296 A 19 GLY H A 18 ILE HG1y 1.0 0.0 4.25 409 296 A 19 GLY H A 18 ILE HG1x 1.0 0.0 4.25 410 297 A 22 TYR HD% A 18 ILE HG1y 1.0 0.0 5.33 411 297 A 22 TYR HD% A 18 ILE HG1x 1.0 0.0 5.33 412 298 A 22 TYR HE% A 18 ILE HG1y 1.0 0.0 3.95 413 298 A 22 TYR HE% A 18 ILE HG1x 1.0 0.0 3.95 414 299 A 20 HIS H A 19 GLY HAx 1.0 0.0 3.10 415 299 A 20 HIS H A 19 GLY HAy 1.0 0.0 3.10 416 300 A 20 HIS HA A 19 GLY HAx 1.0 0.0 5.20 417 300 A 20 HIS HA A 19 GLY HAy 1.0 0.0 5.20 418 301 A 22 TYR HD% A 19 GLY HAx 1.0 0.0 4.04 419 301 A 22 TYR HD% A 19 GLY HAy 1.0 0.0 4.04 420 302 A 20 HIS HD2 A 21 LYS HGy 1.0 0.0 4.72 421 302 A 20 HIS HD2 A 21 LYS HGx 1.0 0.0 4.72 422 303 A 21 LYS H A 21 LYS HGy 1.0 0.0 3.82 423 303 A 21 LYS H A 21 LYS HGx 1.0 0.0 3.82 424 304 A 21 LYS HA A 21 LYS HGy 1.0 0.0 3.70 425 304 A 21 LYS HA A 21 LYS HGx 1.0 0.0 3.70 426 305 A 22 TYR H A 21 LYS HGy 1.0 0.0 5.00 427 305 A 22 TYR H A 21 LYS HGx 1.0 0.0 5.00 428 306 A 22 TYR HD% A 21 LYS HGy 1.0 0.0 5.34 429 306 A 22 TYR HD% A 21 LYS HGx 1.0 0.0 5.34 430 307 A 22 TYR HE% A 21 LYS HGy 1.0 0.0 5.34 431 307 A 22 TYR HE% A 21 LYS HGx 1.0 0.0 5.34 432 308 A 22 TYR H A 23 PRO HGy 1.0 0.0 5.35 433 308 A 22 TYR H A 23 PRO HGx 1.0 0.0 5.35 434 309 A 22 TYR HA A 23 PRO HGy 1.0 0.0 4.23 435 309 A 22 TYR HA A 23 PRO HGx 1.0 0.0 4.23 436 310 A 22 TYR HBy A 25 CYS HBx 1.0 0.0 3.77 437 310 A 22 TYR HBy A 25 CYS HBy 1.0 0.0 3.77 438 311 A 22 TYR HBx A 25 CYS HBx 1.0 0.0 4.72 439 311 A 22 TYR HBx A 25 CYS HBy 1.0 0.0 4.72 440 312 A 22 TYR HD% A 25 CYS HBx 1.0 0.0 4.33 441 312 A 22 TYR HD% A 25 CYS HBy 1.0 0.0 4.33 442 313 A 24 PHE H A 23 PRO HGy 1.0 0.0 4.50 443 313 A 24 PHE H A 23 PRO HGx 1.0 0.0 4.50 444 314 A 24 PHE HD% A 23 PRO HGy 1.0 0.0 4.44 445 314 A 24 PHE HD% A 23 PRO HGx 1.0 0.0 4.44 446 315 A 24 PHE HE% A 23 PRO HGy 1.0 0.0 4.80 447 315 A 24 PHE HE% A 23 PRO HGx 1.0 0.0 4.80 448 316 A 25 CYS H A 25 CYS HBx 1.0 0.0 3.33 449 316 A 25 CYS H A 25 CYS HBy 1.0 0.0 3.33 450 317 A 26 HIS H A 25 CYS HBx 1.0 0.0 4.18 451 317 A 26 HIS H A 25 CYS HBy 1.0 0.0 4.18 452 318 A 27 CYS H A 25 CYS HBx 1.0 0.0 5.34 453 318 A 27 CYS H A 25 CYS HBy 1.0 0.0 5.34 454 319 A 27 CYS H A 27 CYS HBy 1.0 0.0 3.19 455 319 A 27 CYS H A 27 CYS HBx 1.0 0.0 3.19 456 320 A 28 ARG H A 27 CYS HBy 1.0 0.0 3.69 457 320 A 28 ARG H A 27 CYS HBx 1.0 0.0 3.69 458 321 A 28 ARG H A 28 ARG HBx 1.0 0.0 3.31 459 321 A 28 ARG H A 28 ARG HBy 1.0 0.0 3.31 460 322 A 28 ARG H A 28 ARG HGx 1.0 0.0 4.29 461 322 A 28 ARG H A 28 ARG HGy 1.0 0.0 4.29 462 323 A 28 ARG HA A 28 ARG HGx 1.0 0.0 3.61 463 323 A 28 ARG HA A 28 ARG HGy 1.0 0.0 3.61 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 12 LYS H A 9 ASP O 1.0 0.0 2.3 2 2 A 9 ASP O A 12 LYS N 1.0 0.0 3.3 3 3 A 13 GLN H A 9 ASP O 1.0 0.0 2.3 4 4 A 9 ASP O A 13 GLN N 1.0 0.0 3.3 5 5 A 14 CYS H A 10 CYS O 1.0 0.0 2.3 6 6 A 10 CYS O A 14 CYS N 1.0 0.0 3.3 7 7 A 15 GLU H A 11 SER O 1.0 0.0 2.3 8 8 A 11 SER O A 15 GLU N 1.0 0.0 3.3 9 9 A 16 GLU H A 12 LYS O 1.0 0.0 2.3 10 10 A 12 LYS O A 16 GLU N 1.0 0.0 3.3 11 11 A 17 GLY H A 13 GLN O 1.0 0.0 2.3 12 12 A 13 GLN O A 17 GLY N 1.0 0.0 3.3 13 13 A 25 CYS H A 22 TYR O 1.0 0.0 2.3 14 14 A 22 TYR O A 25 CYS N 1.0 0.0 3.3 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 9 ASP C A 10 CYS N A 10 CYS CA A 10 CYS C 1.0 -87.3 -47.3 PHI 2 2 A 10 CYS N A 10 CYS CA A 10 CYS C A 11 SER N 1.0 -56.3 -16.3 PSI 3 3 A 10 CYS C A 11 SER N A 11 SER CA A 11 SER C 1.0 -85.4 -45.4 PHI 4 4 A 11 SER N A 11 SER CA A 11 SER C A 12 LYS N 1.0 -60.0 -20.0 PSI 5 5 A 11 SER C A 12 LYS N A 12 LYS CA A 12 LYS C 1.0 -87.9 -47.9 PHI 6 6 A 12 LYS N A 12 LYS CA A 12 LYS C A 13 GLN N 1.0 -58.6 -18.6 PSI 7 7 A 12 LYS C A 13 GLN N A 13 GLN CA A 13 GLN C 1.0 -85.3 -45.3 PHI 8 8 A 13 GLN N A 13 GLN CA A 13 GLN C A 14 CYS N 1.0 -59.4 -19.4 PSI 9 9 A 13 GLN C A 14 CYS N A 14 CYS CA A 14 CYS C 1.0 -86.7 -46.7 PHI 10 10 A 14 CYS N A 14 CYS CA A 14 CYS C A 15 GLU N 1.0 -48.9 -8.9 PSI 11 11 A 14 CYS C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -97.5 -57.5 PHI 12 12 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 GLU N 1.0 -33.5 9.9 PSI 13 13 A 18 ILE C A 19 GLY N A 19 GLY CA A 19 GLY C 1.0 70.6 111.4 PHI 14 14 A 19 GLY N A 19 GLY CA A 19 GLY C A 20 HIS N 1.0 -10.1 29.9 PSI 15 15 A 19 GLY C A 20 HIS N A 20 HIS CA A 20 HIS C 1.0 -131.5 -42.3 PHI 16 16 A 20 HIS N A 20 HIS CA A 20 HIS C A 21 LYS N 1.0 103.6 180.2 PSI 17 17 A 21 LYS C A 22 TYR N A 22 TYR CA A 22 TYR C 1.0 -161.4 -30.6 PHI 18 18 A 22 TYR N A 22 TYR CA A 22 TYR C A 23 PRO N 1.0 56.8 172.0 PSI 19 19 A 23 PRO N A 23 PRO CA A 23 PRO C A 24 PHE N 1.0 -44.2 -4.2 PSI 20 20 A 24 PHE N A 24 PHE CA A 24 PHE C A 25 CYS N 1.0 -27.8 25.2 PSI 21 21 A 24 PHE C A 25 CYS N A 25 CYS CA A 25 CYS C 1.0 -135.9 -30.5 PHI 22 22 A 25 CYS N A 25 CYS CA A 25 CYS C A 26 HIS N 1.0 53.6 201.4 PSI 23 23 A 25 CYS C A 26 HIS N A 26 HIS CA A 26 HIS C 1.0 -107.3 -47.3 PHI 24 24 A 26 HIS N A 26 HIS CA A 26 HIS C A 27 CYS N 1.0 101.1 161.1 PSI 25 25 A 10 CYS N A 10 CYS CA A 10 CYS CB A 10 CYS SG 1.0 -210.0 -150.0 CHI1 26 26 A 14 CYS N A 14 CYS CA A 14 CYS CB A 14 CYS SG 1.0 -90.0 -30.0 CHI1 27 27 A 25 CYS N A 25 CYS CA A 25 CYS CB A 25 CYS SG 1.0 -90.0 -30.0 CHI1 28 28 A 27 CYS N A 27 CYS CA A 27 CYS CB A 27 CYS SG 1.0 -90.0 -30.0 CHI1 29 29 A 22 TYR N A 22 TYR CA A 22 TYR CB A 22 TYR CG 1.0 -90.0 -30.0 CHI1 stop_ save_