data_nef_c25949_2naw 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 2NAW 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 21 CYS SG 1 36 CYS SG 1 25 CYS SG 1 38 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 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 LEU middle . . 11 A 11 SER middle . . 12 A 12 LYS middle . . 13 A 13 GLN middle . . 14 A 14 MET middle . . 15 A 15 GLU middle . . 16 A 16 GLU middle . . 17 A 17 GLU middle . . 18 A 18 ALA middle . . 19 A 19 VAL middle . . 20 A 20 ARG middle . . 21 A 21 CYS middle -HG . 22 A 22 PHE middle . . 23 A 23 ILE middle . . 24 A 24 GLU middle . . 25 A 25 CYS middle -HG . 26 A 26 LEU middle . . 27 A 27 LYS middle . . 28 A 28 GLY middle . false 29 A 29 ILE middle . . 30 A 30 GLY middle . false 31 A 31 HIS middle . . 32 A 32 LYS middle . . 33 A 33 TYR middle . . 34 A 34 PRO middle . false 35 A 35 PHE middle . . 36 A 36 CYS middle -HG . 37 A 37 HIS middle . . 38 A 38 CYS middle -HG . 39 A 39 ARG 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 4.290 0.015 A 1 HIS HBx H 1 3.314 0.009 A 1 HIS HBy H 1 3.314 0.009 A 1 HIS HD2 H 1 7.349 0.001 A 1 HIS HE1 H 1 8.578 0.000 A 2 GLY H H 1 8.766 0.000 A 2 GLY HAx H 1 3.945 0.005 A 2 GLY HAy H 1 3.945 0.005 A 3 GLU H H 1 8.598 0.001 A 3 GLU HA H 1 4.299 0.005 A 3 GLU HBx H 1 1.906 0.003 A 3 GLU HBy H 1 2.032 0.002 A 3 GLU HGx H 1 2.366 0.002 A 3 GLU HGy H 1 2.366 0.002 A 4 GLY H H 1 8.461 0.001 A 4 GLY HAx H 1 3.878 0.002 A 4 GLY HAy H 1 3.878 0.002 A 5 THR H H 1 7.920 0.000 A 5 THR HA H 1 4.201 0.000 A 5 THR HB H 1 4.024 0.000 A 5 THR HG2% H 1 1.016 0.005 A 6 PHE H H 1 8.292 0.001 A 6 PHE HA H 1 4.626 0.000 A 6 PHE HBx H 1 2.952 0.004 A 6 PHE HBy H 1 3.075 0.008 A 6 PHE HDx H 1 7.156 0.003 A 6 PHE HDy H 1 7.156 0.003 A 6 PHE HEx H 1 7.235 0.002 A 6 PHE HEy H 1 7.235 0.002 A 7 THR H H 1 8.000 0.001 A 7 THR HA H 1 4.212 0.002 A 7 THR HB H 1 4.094 0.002 A 7 THR HG2% H 1 1.088 0.005 A 8 SER H H 1 8.230 0.005 A 8 SER HA H 1 4.317 0.003 A 8 SER HBx H 1 3.781 0.006 A 8 SER HBy H 1 3.859 0.004 A 9 ASP H H 1 8.409 0.003 A 9 ASP HA H 1 4.541 0.006 A 9 ASP HBx H 1 2.667 0.009 A 9 ASP HBy H 1 2.724 0.009 A 10 LEU H H 1 8.135 0.003 A 10 LEU HA H 1 4.173 0.007 A 10 LEU HBx H 1 1.550 0.003 A 10 LEU HBy H 1 1.550 0.003 A 10 LEU HDx% H 1 0.825 0.004 A 10 LEU HDy% H 1 0.774 0.002 A 11 SER H H 1 8.137 0.005 A 11 SER HA H 1 4.091 0.125 A 11 SER HBx H 1 3.852 0.001 A 11 SER HBy H 1 3.924 0.005 A 12 LYS H H 1 8.047 0.000 A 12 LYS HA H 1 4.038 0.007 A 12 LYS HBx H 1 1.767 0.007 A 12 LYS HBy H 1 1.767 0.007 A 12 LYS HDx H 1 1.594 0.001 A 12 LYS HDy H 1 1.594 0.001 A 12 LYS HGx H 1 1.307 0.002 A 12 LYS HGy H 1 1.409 0.004 A 13 GLN H H 1 8.066 0.000 A 13 GLN HA H 1 4.009 0.002 A 13 GLN HBx H 1 2.007 0.001 A 13 GLN HBy H 1 2.007 0.001 A 13 GLN HE2x H 1 6.688 0.002 A 13 GLN HE2y H 1 7.310 0.000 A 13 GLN HGx H 1 2.231 0.000 A 13 GLN HGy H 1 2.312 0.000 A 14 MET H H 1 8.135 0.001 A 14 MET HA H 1 4.127 0.007 A 14 MET HBx H 1 2.049 0.000 A 14 MET HBy H 1 2.049 0.000 A 14 MET HGx H 1 2.455 0.002 A 14 MET HGy H 1 2.593 0.001 A 15 GLU H H 1 8.120 0.001 A 15 GLU HA H 1 4.102 0.002 A 15 GLU HBx H 1 2.070 0.005 A 15 GLU HBy H 1 2.070 0.005 A 15 GLU HGx H 1 2.377 0.003 A 15 GLU HGy H 1 2.454 0.000 A 16 GLU H H 1 8.105 0.000 A 16 GLU HA H 1 4.012 0.004 A 16 GLU HBx H 1 2.076 0.002 A 16 GLU HBy H 1 2.076 0.002 A 16 GLU HGx H 1 2.344 0.000 A 16 GLU HGy H 1 2.456 0.003 A 17 GLU H H 1 8.028 0.001 A 17 GLU HA H 1 3.945 0.006 A 17 GLU HBx H 1 1.975 0.000 A 17 GLU HBy H 1 2.097 0.004 A 17 GLU HGx H 1 2.387 0.003 A 17 GLU HGy H 1 2.387 0.003 A 18 ALA H H 1 7.897 0.000 A 18 ALA HA H 1 4.105 0.006 A 18 ALA HB% H 1 1.443 0.003 A 19 VAL H H 1 7.793 0.000 A 19 VAL HA H 1 3.783 0.003 A 19 VAL HB H 1 2.075 0.004 A 19 VAL HGx% H 1 0.973 0.002 A 19 VAL HGy% H 1 0.895 0.003 A 20 ARG H H 1 7.866 0.000 A 20 ARG HA H 1 4.064 0.005 A 20 ARG HBx H 1 1.778 0.009 A 20 ARG HBy H 1 1.850 0.002 A 20 ARG HGx H 1 1.531 0.002 A 20 ARG HGy H 1 1.672 0.009 A 21 CYS H H 1 8.389 0.002 A 21 CYS HA H 1 4.481 0.004 A 21 CYS HBx H 1 2.994 0.006 A 21 CYS HBy H 1 2.994 0.006 A 22 PHE H H 1 8.161 0.002 A 22 PHE HA H 1 4.131 0.000 A 22 PHE HBx H 1 3.228 0.000 A 22 PHE HBy H 1 3.228 0.000 A 22 PHE HDx H 1 7.185 0.001 A 22 PHE HDy H 1 7.185 0.001 A 22 PHE HEx H 1 7.286 0.000 A 22 PHE HEy H 1 7.286 0.000 A 23 ILE H H 1 7.706 0.003 A 23 ILE HA H 1 3.614 0.005 A 23 ILE HB H 1 1.947 0.007 A 23 ILE HD1% H 1 0.840 0.008 A 23 ILE HG1x H 1 1.682 0.009 A 23 ILE HG1y H 1 1.682 0.009 A 23 ILE HG2% H 1 1.282 0.005 A 24 GLU H H 1 8.164 0.000 A 24 GLU HA H 1 3.910 0.001 A 24 GLU HBx H 1 1.724 0.003 A 24 GLU HBy H 1 1.724 0.003 A 24 GLU HGx H 1 2.068 0.004 A 24 GLU HGy H 1 2.181 0.004 A 25 CYS H H 1 8.622 0.216 A 25 CYS HA H 1 4.332 0.000 A 25 CYS HBx H 1 2.900 0.000 A 25 CYS HBy H 1 3.070 0.000 A 26 LEU H H 1 7.614 0.004 A 26 LEU HA H 1 4.017 0.009 A 26 LEU HBx H 1 1.506 0.004 A 26 LEU HBy H 1 1.506 0.004 A 26 LEU HDx% H 1 0.701 0.004 A 26 LEU HDy% H 1 0.701 0.004 A 27 LYS H H 1 7.724 0.000 A 27 LYS HA H 1 4.204 0.005 A 27 LYS HBx H 1 1.793 0.000 A 27 LYS HBy H 1 1.858 0.000 A 27 LYS HDx H 1 1.549 0.002 A 27 LYS HDy H 1 1.549 0.002 A 27 LYS HGx H 1 1.356 0.000 A 27 LYS HGy H 1 1.506 0.000 A 28 GLY H H 1 7.738 0.001 A 28 GLY HAy H 1 4.026 0.004 A 28 GLY HAx H 1 3.886 0.004 A 29 ILE H H 1 7.665 0.000 A 29 ILE HA H 1 4.284 0.000 A 29 ILE HB H 1 1.879 0.006 A 29 ILE HD1% H 1 0.816 0.005 A 29 ILE HG1x H 1 1.337 0.006 A 29 ILE HG1y H 1 1.337 0.006 A 29 ILE HG2% H 1 1.049 0.005 A 30 GLY H H 1 8.354 0.001 A 30 GLY HAy H 1 3.784 0.009 A 30 GLY HAx H 1 3.607 0.010 A 31 HIS H H 1 8.236 0.002 A 31 HIS HA H 1 4.397 0.005 A 31 HIS HBx H 1 3.006 0.003 A 31 HIS HBy H 1 3.006 0.003 A 31 HIS HD2 H 1 7.013 0.004 A 31 HIS HE1 H 1 8.461 0.002 A 32 LYS H H 1 7.900 0.000 A 32 LYS HA H 1 3.947 0.006 A 32 LYS HBx H 1 1.351 0.000 A 32 LYS HBy H 1 1.435 0.000 A 32 LYS HGx H 1 0.938 0.000 A 32 LYS HGy H 1 1.045 0.000 A 33 TYR H H 1 7.750 0.003 A 33 TYR HA H 1 4.602 0.004 A 33 TYR HBx H 1 2.256 0.005 A 33 TYR HBy H 1 2.353 0.000 A 33 TYR HDx H 1 6.974 0.000 A 33 TYR HDy H 1 6.974 0.000 A 33 TYR HEx H 1 6.687 0.000 A 33 TYR HEy H 1 6.687 0.000 A 34 PRO HA H 1 4.142 0.004 A 34 PRO HBy H 1 2.117 0.000 A 34 PRO HBx H 1 1.725 0.002 A 34 PRO HDx H 1 3.547 0.000 A 34 PRO HDy H 1 3.547 0.000 A 34 PRO HGx H 1 1.832 0.001 A 34 PRO HGy H 1 1.882 0.000 A 35 PHE H H 1 6.871 0.001 A 35 PHE HA H 1 4.404 0.001 A 35 PHE HBx H 1 3.022 0.000 A 35 PHE HBy H 1 3.165 0.003 A 35 PHE HDx H 1 7.080 0.000 A 35 PHE HDy H 1 7.080 0.000 A 35 PHE HEx H 1 7.258 0.002 A 35 PHE HEy H 1 7.258 0.002 A 36 CYS H H 1 7.429 0.000 A 36 CYS HA H 1 4.768 0.004 A 36 CYS HBx H 1 2.717 0.000 A 36 CYS HBy H 1 2.800 0.001 A 37 HIS H H 1 8.640 0.001 A 37 HIS HA H 1 4.620 0.003 A 37 HIS HBx H 1 3.124 0.005 A 37 HIS HBy H 1 3.124 0.005 A 37 HIS HD2 H 1 7.162 0.003 A 37 HIS HE1 H 1 8.515 0.000 A 38 CYS H H 1 8.544 0.002 A 38 CYS HA H 1 4.651 0.000 A 38 CYS HBx H 1 2.646 0.002 A 38 CYS HBy H 1 3.220 0.005 A 39 ARG H H 1 8.690 0.001 A 39 ARG HA H 1 4.212 0.001 A 39 ARG HBx H 1 1.716 0.000 A 39 ARG HBy H 1 1.764 0.007 A 39 ARG HGx H 1 1.575 0.001 A 39 ARG HGy H 1 1.613 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 25 CYS H A 24 GLU HBx 1.0 0.0 3.41 2 1 A 24 GLU HBy A 25 CYS H 1.0 0.0 3.41 3 2 A 39 ARG H A 39 ARG HGx 1.0 0.0 4.67 4 3 A 25 CYS H A 25 CYS HBy 1.0 0.0 3.10 5 4 A 25 CYS H A 25 CYS HBx 1.0 0.0 3.44 6 5 A 37 HIS H A 37 HIS HBx 1.0 0.0 3.44 7 5 A 37 HIS H A 37 HIS HBy 1.0 0.0 3.44 8 6 A 3 GLU H A 3 GLU HGx 1.0 0.0 5.50 9 6 A 3 GLU H A 3 GLU HGy 1.0 0.0 5.50 10 7 A 38 CYS H A 38 CYS HBx 1.0 0.0 3.70 11 8 A 38 CYS H A 38 CYS HBy 1.0 0.0 3.70 12 9 A 21 CYS H A 21 CYS HBx 1.0 0.0 2.87 13 9 A 21 CYS H A 21 CYS HBy 1.0 0.0 2.87 14 10 A 6 PHE H A 6 PHE HBx 1.0 0.0 3.84 15 11 A 6 PHE H A 6 PHE HBy 1.0 0.0 3.84 16 12 A 31 HIS H A 31 HIS HBx 1.0 0.0 3.06 17 12 A 31 HIS H A 31 HIS HBy 1.0 0.0 3.06 18 13 A 8 SER H A 8 SER HBx 1.0 0.0 3.91 19 14 A 8 SER H A 8 SER HBy 1.0 0.0 3.91 20 15 A 22 PHE H A 22 PHE HBx 1.0 0.0 2.76 21 15 A 22 PHE H A 22 PHE HBy 1.0 0.0 2.76 22 16 A 24 GLU H A 24 GLU HGx 1.0 0.0 2.98 23 17 A 11 SER H A 11 SER HBx 1.0 0.0 3.69 24 18 A 11 SER H A 11 SER HBy 1.0 0.0 3.69 25 19 A 16 GLU H A 16 GLU HGx 1.0 0.0 4.64 26 20 A 15 GLU H A 15 GLU HBx 1.0 0.0 3.18 27 20 A 15 GLU H A 15 GLU HBy 1.0 0.0 3.18 28 21 A 16 GLU H A 16 GLU HBx 1.0 0.0 3.50 29 21 A 16 GLU H A 16 GLU HBy 1.0 0.0 3.50 30 22 A 14 MET H A 14 MET HBx 1.0 0.0 2.97 31 22 A 14 MET H A 14 MET HBy 1.0 0.0 2.97 32 23 A 16 GLU H A 16 GLU HGy 1.0 0.0 4.64 33 24 A 13 GLN H A 13 GLN HGx 1.0 0.0 4.49 34 25 A 13 GLN H A 13 GLN HGy 1.0 0.0 4.49 35 26 A 13 GLN H A 13 GLN HBx 1.0 0.0 2.84 36 26 A 13 GLN H A 13 GLN HBy 1.0 0.0 2.84 37 27 A 12 LYS H A 12 LYS HBx 1.0 0.0 3.01 38 27 A 12 LYS H A 12 LYS HBy 1.0 0.0 3.01 39 28 A 7 THR H A 7 THR HB 1.0 0.0 3.86 40 29 A 7 THR H A 7 THR HG2% 1.0 0.0 3.99 41 30 A 5 THR H A 5 THR HG2% 1.0 0.0 4.50 42 31 A 5 THR H A 5 THR HB 1.0 0.0 4.09 43 32 A 18 ALA H A 18 ALA HB% 1.0 0.0 2.95 44 33 A 20 ARG H A 20 ARG HBy 1.0 0.0 3.56 45 34 A 20 ARG H A 20 ARG HBx 1.0 0.0 3.35 46 35 A 20 ARG H A 20 ARG HGy 1.0 0.0 4.09 47 36 A 19 VAL H A 19 VAL HGy% 1.0 0.0 3.77 48 37 A 19 VAL H A 19 VAL HGx% 1.0 0.0 3.77 49 38 A 19 VAL H A 19 VAL HB 1.0 0.0 3.70 50 39 A 33 TYR H A 33 TYR HBx 1.0 0.0 4.02 51 40 A 33 TYR H A 33 TYR HBy 1.0 0.0 4.02 52 41 A 28 GLY H A 27 LYS HBx 1.0 0.0 4.43 53 42 A 23 ILE H A 23 ILE HB 1.0 0.0 3.12 54 43 A 23 ILE H A 23 ILE HD1% 1.0 0.0 3.57 55 44 A 29 ILE H A 29 ILE HD1% 1.0 0.0 3.69 56 45 A 29 ILE H A 29 ILE HB 1.0 0.0 3.88 57 46 A 26 LEU H A 26 LEU HBx 1.0 0.0 2.76 58 46 A 26 LEU H A 26 LEU HBy 1.0 0.0 2.76 59 47 A 36 CYS H A 36 CYS HBx 1.0 0.0 3.50 60 48 A 36 CYS H A 36 CYS HBy 1.0 0.0 3.50 61 49 A 20 ARG H A 20 ARG HGx 1.0 0.0 3.69 62 50 A 5 THR H A 4 GLY HAx 1.0 0.0 3.37 63 50 A 5 THR H A 4 GLY HAy 1.0 0.0 3.37 64 51 A 6 PHE H A 5 THR HB 1.0 0.0 4.64 65 52 A 6 PHE H A 5 THR HA 1.0 0.0 3.25 66 53 A 6 PHE H A 5 THR HG2% 1.0 0.0 5.00 67 54 A 7 THR H A 6 PHE HA 1.0 0.0 3.13 68 55 A 7 THR H A 6 PHE HBx 1.0 0.0 4.78 69 56 A 7 THR H A 6 PHE HBy 1.0 0.0 4.78 70 57 A 8 SER H A 7 THR HA 1.0 0.0 3.09 71 58 A 8 SER H A 7 THR HB 1.0 0.0 4.72 72 59 A 8 SER H A 7 THR HG2% 1.0 0.0 4.34 73 60 A 21 CYS H A 19 VAL HA 1.0 0.0 5.40 74 61 A 12 LYS H A 12 LYS HDx 1.0 0.0 4.85 75 61 A 12 LYS H A 12 LYS HDy 1.0 0.0 4.85 76 62 A 12 LYS H A 12 LYS HGx 1.0 0.0 4.98 77 63 A 13 GLN H A 12 LYS HGx 1.0 0.0 5.37 78 64 A 12 LYS H A 12 LYS HGy 1.0 0.0 4.98 79 65 A 13 GLN H A 12 LYS HGy 1.0 0.0 5.37 80 66 A 29 ILE HA A 30 GLY H 1.0 0.0 3.52 81 67 A 29 ILE H A 29 ILE HG2% 1.0 0.0 3.22 82 68 A 29 ILE HD1% A 29 ILE HA 1.0 0.0 3.90 83 69 A 29 ILE HD1% A 29 ILE HB 1.0 0.0 2.81 84 70 A 29 ILE HG2% A 29 ILE HG1x 1.0 0.0 2.80 85 70 A 29 ILE HG2% A 29 ILE HG1y 1.0 0.0 2.80 86 71 A 29 ILE HD1% A 29 ILE HG2% 1.0 0.0 3.17 87 72 A 35 PHE H A 35 PHE HBy 1.0 0.0 3.79 88 73 A 35 PHE H A 35 PHE HBx 1.0 0.0 3.79 89 74 A 37 HIS H A 36 CYS HA 1.0 0.0 2.96 90 75 A 37 HIS H A 36 CYS HBx 1.0 0.0 4.48 91 76 A 37 HIS H A 36 CYS HBy 1.0 0.0 4.48 92 77 A 38 CYS H A 37 HIS HBx 1.0 0.0 4.19 93 77 A 37 HIS HBy A 38 CYS H 1.0 0.0 4.19 94 78 A 38 CYS H A 37 HIS HA 1.0 0.0 3.48 95 79 A 39 ARG H A 38 CYS HA 1.0 0.0 3.10 96 80 A 39 ARG H A 38 CYS HBx 1.0 0.0 4.39 97 81 A 39 ARG H A 38 CYS HBy 1.0 0.0 4.39 98 82 A 35 PHE H A 34 PRO HDx 1.0 0.0 4.09 99 82 A 35 PHE H A 34 PRO HDy 1.0 0.0 4.09 100 83 A 35 PHE H A 34 PRO HGx 1.0 0.0 4.44 101 84 A 35 PHE H A 34 PRO HGy 1.0 0.0 4.44 102 85 A 20 ARG H A 19 VAL HGx% 1.0 0.0 4.16 103 86 A 20 ARG H A 19 VAL HGy% 1.0 0.0 4.16 104 87 A 20 ARG H A 19 VAL HB 1.0 0.0 4.14 105 88 A 19 VAL HA A 19 VAL HGx% 1.0 0.0 3.28 106 89 A 19 VAL HA A 19 VAL HGy% 1.0 0.0 3.28 107 90 A 18 ALA HB% A 19 VAL H 1.0 0.0 3.44 108 91 A 18 ALA H A 19 VAL H 1.0 0.0 3.22 109 92 A 21 CYS H A 20 ARG HA 1.0 0.0 3.57 110 93 A 21 CYS H A 20 ARG H 1.0 0.0 3.41 111 94 A 21 CYS H A 20 ARG HBy 1.0 0.0 3.88 112 95 A 21 CYS H A 20 ARG HBx 1.0 0.0 3.80 113 96 A 21 CYS H A 20 ARG HGx 1.0 0.0 5.11 114 97 A 22 PHE H A 21 CYS HBx 1.0 0.0 3.74 115 97 A 21 CYS HBy A 22 PHE H 1.0 0.0 3.74 116 98 A 24 GLU H A 21 CYS HA 1.0 0.0 4.32 117 99 A 22 PHE HA A 22 PHE HBx 1.0 0.0 2.90 118 99 A 22 PHE HBy A 22 PHE HA 1.0 0.0 2.90 119 100 A 23 ILE H A 22 PHE HBx 1.0 0.0 3.30 120 100 A 22 PHE HBy A 23 ILE H 1.0 0.0 3.30 121 101 A 23 ILE HA A 23 ILE HG1x 1.0 0.0 3.87 122 101 A 23 ILE HA A 23 ILE HG1y 1.0 0.0 3.87 123 102 A 23 ILE HA A 23 ILE HG2% 1.0 0.0 3.51 124 103 A 23 ILE HD1% A 23 ILE HA 1.0 0.0 3.65 125 104 A 23 ILE HG2% A 23 ILE HG1x 1.0 0.0 2.63 126 104 A 23 ILE HG1y A 23 ILE HG2% 1.0 0.0 2.63 127 105 A 23 ILE HB A 23 ILE HD1% 1.0 0.0 3.40 128 106 A 23 ILE HD1% A 23 ILE HG2% 1.0 0.0 3.35 129 107 A 26 LEU H A 26 LEU HDx% 1.0 0.0 4.11 130 107 A 26 LEU H A 26 LEU HDy% 1.0 0.0 4.11 131 108 A 23 ILE H A 23 ILE HG1x 1.0 0.0 3.43 132 108 A 23 ILE H A 23 ILE HG1y 1.0 0.0 3.43 133 109 A 23 ILE H A 23 ILE HG2% 1.0 0.0 3.99 134 110 A 24 GLU H A 24 GLU HGy 1.0 0.0 3.72 135 111 A 24 GLU HGy A 24 GLU HA 1.0 0.0 3.86 136 112 A 24 GLU HGx A 24 GLU HA 1.0 0.0 3.66 137 113 A 22 PHE H A 23 ILE H 1.0 0.0 3.68 138 114 A 24 GLU H A 23 ILE H 1.0 0.0 3.87 139 115 A 25 CYS H A 24 GLU HGx 1.0 0.0 3.75 140 116 A 25 CYS H A 24 GLU HGy 1.0 0.0 4.80 141 117 A 25 CYS H A 24 GLU H 1.0 0.0 3.34 142 118 A 26 LEU HA A 26 LEU HDx% 1.0 0.0 3.10 143 118 A 26 LEU HDy% A 26 LEU HA 1.0 0.0 3.10 144 119 A 26 LEU HBy A 26 LEU HDx% 1.0 0.0 2.63 145 119 A 26 LEU HDy% A 26 LEU HBx 1.0 0.0 2.63 146 119 A 26 LEU HBy A 26 LEU HDy% 1.0 0.0 2.63 147 119 A 26 LEU HBx A 26 LEU HDx% 1.0 0.0 2.63 148 120 A 25 CYS H A 26 LEU H 1.0 0.0 3.46 149 121 A 25 CYS HBx A 26 LEU H 1.0 0.0 4.24 150 122 A 25 CYS HBy A 26 LEU H 1.0 0.0 3.64 151 123 A 26 LEU H A 27 LYS H 1.0 0.0 3.54 152 124 A 27 LYS H A 26 LEU HBx 1.0 0.0 3.82 153 124 A 26 LEU HBy A 27 LYS H 1.0 0.0 3.82 154 125 A 27 LYS H A 26 LEU HDx% 1.0 0.0 4.50 155 125 A 26 LEU HDy% A 27 LYS H 1.0 0.0 4.50 156 126 A 28 GLY H A 27 LYS HBy 1.0 0.0 4.43 157 127 A 29 ILE H A 29 ILE HG1x 1.0 0.0 3.70 158 127 A 29 ILE H A 29 ILE HG1y 1.0 0.0 3.70 159 128 A 29 ILE HB A 30 GLY H 1.0 0.0 4.33 160 129 A 30 GLY H A 29 ILE HG1x 1.0 0.0 4.74 161 129 A 30 GLY H A 29 ILE HG1y 1.0 0.0 4.74 162 130 A 29 ILE HD1% A 30 GLY H 1.0 0.0 3.76 163 131 A 29 ILE H A 30 GLY H 1.0 0.0 3.55 164 132 A 31 HIS H A 32 LYS H 1.0 0.0 4.17 165 133 A 14 MET H A 14 MET HGx 1.0 0.0 5.14 166 134 A 32 LYS H A 31 HIS HBx 1.0 0.0 4.03 167 134 A 31 HIS HBy A 32 LYS H 1.0 0.0 4.03 168 135 A 32 LYS H A 31 HIS HA 1.0 0.0 3.29 169 136 A 36 CYS H A 35 PHE HBx 1.0 0.0 4.50 170 137 A 36 CYS H A 34 PRO HA 1.0 0.0 4.84 171 138 A 17 GLU H A 17 GLU HGx 1.0 0.0 3.52 172 138 A 17 GLU H A 17 GLU HGy 1.0 0.0 3.52 173 139 A 9 ASP H A 10 LEU H 1.0 0.0 3.42 174 140 A 10 LEU H A 9 ASP HA 1.0 0.0 3.57 175 141 A 12 LYS H A 9 ASP HA 1.0 0.0 4.82 176 142 A 11 SER H A 12 LYS H 1.0 0.0 4.18 177 143 A 14 MET H A 14 MET HGy 1.0 0.0 5.14 178 144 A 24 GLU H A 23 ILE HG2% 1.0 0.0 4.86 179 145 A 24 GLU H A 23 ILE HG1x 1.0 0.0 4.33 180 145 A 24 GLU H A 23 ILE HG1y 1.0 0.0 4.33 181 146 A 24 GLU H A 23 ILE HB 1.0 0.0 3.30 182 147 A 12 LYS HA A 12 LYS HDx 1.0 0.0 4.23 183 147 A 12 LYS HDy A 12 LYS HA 1.0 0.0 4.23 184 148 A 12 LYS HGx A 12 LYS HA 1.0 0.0 3.87 185 149 A 12 LYS HGy A 12 LYS HA 1.0 0.0 3.87 186 150 A 12 LYS H A 9 ASP HBx 1.0 0.0 5.50 187 151 A 12 LYS H A 9 ASP HBy 1.0 0.0 5.50 188 152 A 10 LEU H A 9 ASP HBy 1.0 0.0 4.40 189 153 A 10 LEU H A 9 ASP HBx 1.0 0.0 4.40 190 154 A 33 TYR H A 32 LYS HA 1.0 0.0 3.53 191 155 A 33 TYR HA A 33 TYR HD% 1.0 0.0 3.19 192 156 A 33 TYR HA A 33 TYR HE% 1.0 0.0 4.83 193 157 A 33 TYR H A 33 TYR HD% 1.0 0.0 3.84 194 158 A 33 TYR H A 33 TYR HE% 1.0 0.0 5.50 195 159 A 7 THR HG2% A 7 THR HA 1.0 0.0 3.70 196 160 A 34 PRO HDy A 33 TYR HBx 1.0 0.0 3.68 197 160 A 33 TYR HBx A 34 PRO HDx 1.0 0.0 3.68 198 161 A 34 PRO HDy A 33 TYR HBy 1.0 0.0 3.68 199 161 A 33 TYR HBy A 34 PRO HDx 1.0 0.0 3.68 200 162 A 33 TYR HA A 34 PRO HDx 1.0 0.0 2.83 201 162 A 34 PRO HDy A 33 TYR HA 1.0 0.0 2.83 202 163 A 6 PHE H A 6 PHE HD% 1.0 0.0 5.26 203 164 A 6 PHE HA A 6 PHE HD% 1.0 0.0 4.09 204 165 A 33 TYR H A 31 HIS HA 1.0 0.0 4.92 205 166 A 33 TYR H A 21 CYS HBx 1.0 0.0 5.20 206 166 A 21 CYS HBy A 33 TYR H 1.0 0.0 5.20 207 167 A 33 TYR H A 31 HIS HBx 1.0 0.0 5.50 208 167 A 31 HIS HBy A 33 TYR H 1.0 0.0 5.50 209 168 A 32 LYS H A 32 LYS HGx 1.0 0.0 4.91 210 169 A 32 LYS H A 32 LYS HGy 1.0 0.0 4.91 211 170 A 36 CYS H A 33 TYR HBx 1.0 0.0 4.65 212 171 A 35 PHE HE% A 33 TYR HBx 1.0 0.0 4.29 213 172 A 35 PHE HD% A 33 TYR HBx 1.0 0.0 4.19 214 173 A 35 PHE H A 33 TYR HBx 1.0 0.0 5.23 215 174 A 36 CYS H A 33 TYR HBy 1.0 0.0 4.65 216 175 A 35 PHE HE% A 33 TYR HBy 1.0 0.0 4.29 217 176 A 35 PHE HD% A 33 TYR HBy 1.0 0.0 4.19 218 177 A 35 PHE H A 33 TYR HBy 1.0 0.0 5.23 219 178 A 33 TYR HD% A 36 CYS HBx 1.0 0.0 4.85 220 179 A 33 TYR HD% A 36 CYS HBy 1.0 0.0 4.85 221 180 A 22 PHE HE% A 26 LEU HDx% 1.0 0.0 3.60 222 180 A 26 LEU HDy% A 22 PHE HE% 1.0 0.0 3.60 223 181 A 22 PHE HD% A 26 LEU HDx% 1.0 0.0 3.96 224 181 A 26 LEU HDy% A 22 PHE HD% 1.0 0.0 3.96 225 182 A 23 ILE HG2% A 22 PHE HD% 1.0 0.0 4.39 226 183 A 23 ILE HG2% A 22 PHE HE% 1.0 0.0 5.50 227 184 A 30 GLY H A 29 ILE HG2% 1.0 0.0 4.97 228 185 A 29 ILE HG2% A 33 TYR HE% 1.0 0.0 5.50 229 186 A 33 TYR HD% A 32 LYS HGx 1.0 0.0 5.16 230 187 A 33 TYR HD% A 34 PRO HDx 1.0 0.0 3.98 231 187 A 34 PRO HDy A 33 TYR HD% 1.0 0.0 3.98 232 188 A 35 PHE HD% A 34 PRO HDx 1.0 0.0 4.09 233 188 A 34 PRO HDy A 35 PHE HD% 1.0 0.0 4.09 234 189 A 35 PHE HE% A 34 PRO HDx 1.0 0.0 4.66 235 189 A 34 PRO HDy A 35 PHE HE% 1.0 0.0 4.66 236 190 A 33 TYR H A 34 PRO HDx 1.0 0.0 4.41 237 190 A 33 TYR H A 34 PRO HDy 1.0 0.0 4.41 238 191 A 25 CYS H A 21 CYS HA 1.0 0.0 4.43 239 192 A 27 LYS H A 25 CYS HA 1.0 0.0 4.23 240 193 A 10 LEU H A 8 SER HA 1.0 0.0 5.04 241 194 A 10 LEU H A 10 LEU HBx 1.0 0.0 3.04 242 194 A 10 LEU H A 10 LEU HBy 1.0 0.0 3.04 243 195 A 11 SER H A 10 LEU HBx 1.0 0.0 3.47 244 195 A 11 SER H A 10 LEU HBy 1.0 0.0 3.47 245 196 A 11 SER H A 10 LEU HDy% 1.0 0.0 5.38 246 197 A 11 SER H A 10 LEU HDx% 1.0 0.0 5.38 247 198 A 10 LEU HA A 10 LEU HDx% 1.0 0.0 4.14 248 199 A 10 LEU HA A 10 LEU HDy% 1.0 0.0 4.14 249 200 A 10 LEU HBy A 10 LEU HDx% 1.0 0.0 3.10 250 200 A 10 LEU HDx% A 10 LEU HBx 1.0 0.0 3.10 251 201 A 10 LEU HBy A 10 LEU HDy% 1.0 0.0 3.10 252 201 A 10 LEU HBx A 10 LEU HDy% 1.0 0.0 3.10 253 202 A 31 HIS HA A 31 HIS HBx 1.0 0.0 2.85 254 202 A 31 HIS HBy A 31 HIS HA 1.0 0.0 2.85 255 203 A 22 PHE HA A 22 PHE HE% 1.0 0.0 4.79 256 204 A 22 PHE HA A 22 PHE HD% 1.0 0.0 3.52 257 205 A 22 PHE H A 22 PHE HD% 1.0 0.0 4.26 258 206 A 22 PHE HE% A 23 ILE HG1x 1.0 0.0 5.31 259 206 A 23 ILE HG1y A 22 PHE HE% 1.0 0.0 5.31 260 207 A 22 PHE HD% A 23 ILE HG1x 1.0 0.0 3.58 261 207 A 23 ILE HG1y A 22 PHE HD% 1.0 0.0 3.58 262 208 A 23 ILE HD1% A 22 PHE HD% 1.0 0.0 3.79 263 209 A 23 ILE HD1% A 22 PHE HE% 1.0 0.0 5.45 264 210 A 29 ILE HD1% A 33 TYR HD% 1.0 0.0 4.20 265 211 A 29 ILE HD1% A 33 TYR HE% 1.0 0.0 3.88 266 212 A 37 HIS HA A 37 HIS HBx 1.0 0.0 2.96 267 212 A 37 HIS HBy A 37 HIS HA 1.0 0.0 2.96 268 213 A 35 PHE HE% A 35 PHE HA 1.0 0.0 5.50 269 214 A 35 PHE H A 35 PHE HD% 1.0 0.0 4.08 270 215 A 36 CYS H A 35 PHE H 1.0 0.0 3.41 271 216 A 23 ILE H A 22 PHE HD% 1.0 0.0 4.95 272 217 A 6 PHE H A 7 THR H 1.0 0.0 4.63 273 218 A 8 SER H A 7 THR H 1.0 0.0 4.44 274 219 A 31 HIS HD2 A 31 HIS HBx 1.0 0.0 3.74 275 219 A 31 HIS HBy A 31 HIS HD2 1.0 0.0 3.74 276 220 A 31 HIS H A 31 HIS HD2 1.0 0.0 5.25 277 221 A 37 HIS H A 37 HIS HD2 1.0 0.0 5.27 278 222 A 37 HIS HD2 A 37 HIS HBx 1.0 0.0 3.96 279 222 A 37 HIS HBy A 37 HIS HD2 1.0 0.0 3.96 280 223 A 31 HIS HA A 31 HIS HD2 1.0 0.0 5.15 281 224 A 33 TYR HD% A 32 LYS HBy 1.0 0.0 4.20 282 225 A 33 TYR HE% A 32 LYS HBx 1.0 0.0 4.33 283 226 A 26 LEU H A 22 PHE HBx 1.0 0.0 5.50 284 226 A 22 PHE HBy A 26 LEU H 1.0 0.0 5.50 285 227 A 26 LEU H A 23 ILE HA 1.0 0.0 4.08 286 228 A 26 LEU H A 22 PHE HA 1.0 0.0 5.15 287 229 A 23 ILE HA A 22 PHE HE% 1.0 0.0 5.49 288 230 A 21 CYS H A 22 PHE HBx 1.0 0.0 4.74 289 230 A 21 CYS H A 22 PHE HBy 1.0 0.0 4.74 290 231 A 21 CYS H A 24 GLU HGx 1.0 0.0 4.64 291 232 A 21 CYS H A 18 ALA HB% 1.0 0.0 4.91 292 233 A 21 CYS H A 19 VAL HGy% 1.0 0.0 5.50 293 234 A 25 CYS H A 26 LEU HBx 1.0 0.0 4.57 294 234 A 25 CYS H A 26 LEU HBy 1.0 0.0 4.57 295 235 A 25 CYS H A 23 ILE HA 1.0 0.0 5.05 296 236 A 23 ILE HA A 22 PHE HD% 1.0 0.0 4.24 297 237 A 6 PHE H A 4 GLY HAx 1.0 0.0 4.96 298 237 A 6 PHE H A 4 GLY HAy 1.0 0.0 4.96 299 238 A 21 CYS H A 17 GLU HA 1.0 0.0 5.45 300 239 A 9 ASP H A 10 LEU HA 1.0 0.0 5.50 301 240 A 38 CYS H A 21 CYS HBx 1.0 0.0 5.50 302 240 A 38 CYS H A 21 CYS HBy 1.0 0.0 5.50 303 241 A 38 CYS H A 36 CYS HBx 1.0 0.0 5.30 304 242 A 25 CYS H A 26 LEU HA 1.0 0.0 5.50 305 243 A 25 CYS H A 22 PHE HA 1.0 0.0 4.49 306 244 A 37 HIS H A 35 PHE HA 1.0 0.0 5.50 307 245 A 13 GLN H A 12 LYS HBx 1.0 0.0 3.79 308 245 A 13 GLN H A 12 LYS HBy 1.0 0.0 3.79 309 246 A 13 GLN H A 12 LYS HDx 1.0 0.0 5.50 310 246 A 13 GLN H A 12 LYS HDy 1.0 0.0 5.50 311 247 A 18 ALA H A 17 GLU HGx 1.0 0.0 4.34 312 247 A 18 ALA H A 17 GLU HGy 1.0 0.0 4.34 313 248 A 14 MET H A 13 GLN HBx 1.0 0.0 3.08 314 248 A 14 MET H A 13 GLN HBy 1.0 0.0 3.08 315 249 A 14 MET H A 13 GLN HGy 1.0 0.0 5.50 316 250 A 14 MET H A 13 GLN HGx 1.0 0.0 5.50 317 251 A 18 ALA H A 17 GLU H 1.0 0.0 3.88 318 252 A 13 GLN HA A 13 GLN HBx 1.0 0.0 2.88 319 252 A 13 GLN HBy A 13 GLN HA 1.0 0.0 2.88 320 253 A 13 GLN HA A 13 GLN HGy 1.0 0.0 3.87 321 254 A 13 GLN HA A 13 GLN HGx 1.0 0.0 3.87 322 255 A 14 MET HA A 14 MET HGx 1.0 0.0 4.06 323 256 A 14 MET HA A 14 MET HGy 1.0 0.0 4.06 324 257 A 14 MET HA A 14 MET HBx 1.0 0.0 2.95 325 257 A 14 MET HBy A 14 MET HA 1.0 0.0 2.95 326 258 A 17 GLU HA A 17 GLU HGx 1.0 0.0 3.68 327 258 A 17 GLU HGy A 17 GLU HA 1.0 0.0 3.68 328 259 A 17 GLU H A 16 GLU HBx 1.0 0.0 3.57 329 259 A 16 GLU HBy A 17 GLU H 1.0 0.0 3.57 330 260 A 16 GLU H A 17 GLU H 1.0 0.0 5.50 331 261 A 15 GLU HA A 15 GLU HGx 1.0 0.0 4.16 332 262 A 15 GLU HA A 15 GLU HGy 1.0 0.0 4.16 333 263 A 15 GLU HA A 15 GLU HBx 1.0 0.0 2.94 334 263 A 15 GLU HBy A 15 GLU HA 1.0 0.0 2.94 335 264 A 16 GLU HA A 16 GLU HGx 1.0 0.0 3.95 336 265 A 16 GLU HA A 16 GLU HGy 1.0 0.0 3.95 337 266 A 16 GLU HA A 16 GLU HBx 1.0 0.0 2.87 338 266 A 16 GLU HBy A 16 GLU HA 1.0 0.0 2.87 339 267 A 20 ARG HBy A 19 VAL H 1.0 0.0 5.48 340 268 A 20 ARG HBx A 19 VAL H 1.0 0.0 5.07 341 269 A 19 VAL H A 22 PHE HBx 1.0 0.0 5.26 342 269 A 22 PHE HBy A 19 VAL H 1.0 0.0 5.26 343 270 A 19 VAL H A 17 GLU HA 1.0 0.0 3.77 344 271 A 36 CYS H A 37 HIS HA 1.0 0.0 5.50 345 272 A 36 CYS HA A 35 PHE HE% 1.0 0.0 5.03 346 273 A 36 CYS HA A 37 HIS HD2 1.0 0.0 5.50 347 274 A 37 HIS H A 36 CYS H 1.0 0.0 4.49 348 275 A 21 CYS H A 19 VAL H 1.0 0.0 5.00 349 276 A 8 SER H A 9 ASP H 1.0 0.0 4.52 350 277 A 24 GLU H A 26 LEU H 1.0 0.0 4.92 351 278 A 6 PHE H A 5 THR H 1.0 0.0 4.35 352 279 A 38 CYS H A 36 CYS HA 1.0 0.0 4.34 353 280 A 37 HIS H A 21 CYS HBx 1.0 0.0 4.83 354 280 A 37 HIS H A 21 CYS HBy 1.0 0.0 4.83 355 281 A 25 CYS HBy A 24 GLU H 1.0 0.0 4.92 356 282 A 30 GLY H A 28 GLY HAy 1.0 0.0 5.50 357 283 A 30 GLY H A 28 GLY HAx 1.0 0.0 5.50 358 284 A 9 ASP H A 10 LEU HBx 1.0 0.0 4.50 359 284 A 9 ASP H A 10 LEU HBy 1.0 0.0 4.50 360 285 A 25 CYS H A 23 ILE HB 1.0 0.0 5.50 361 286 A 7 THR H A 10 LEU HBx 1.0 0.0 5.50 362 286 A 7 THR H A 10 LEU HBy 1.0 0.0 5.50 363 287 A 7 THR HG2% A 10 LEU H 1.0 0.0 5.50 364 288 A 7 THR HG2% A 9 ASP H 1.0 0.0 5.50 365 289 A 21 CYS H A 19 VAL HGx% 1.0 0.0 5.50 366 290 A 31 HIS H A 29 ILE HD1% 1.0 0.0 4.61 367 291 A 23 ILE HD1% A 26 LEU H 1.0 0.0 5.50 368 292 A 28 GLY H A 29 ILE HG2% 1.0 0.0 4.89 369 293 A 19 VAL H A 20 ARG HGx 1.0 0.0 5.50 370 294 A 20 ARG HGy A 19 VAL H 1.0 0.0 5.50 371 295 A 24 GLU HGx A 23 ILE H 1.0 0.0 5.50 372 296 A 18 ALA HB% A 22 PHE HE% 1.0 0.0 5.50 373 297 A 20 ARG HGy A 35 PHE HE% 1.0 0.0 5.01 374 298 A 35 PHE HE% A 17 GLU HBy 1.0 0.0 4.84 375 299 A 35 PHE HE% A 34 PRO HBy 1.0 0.0 5.06 376 300 A 22 PHE HD% A 19 VAL HGx% 1.0 0.0 5.50 377 301 A 18 ALA HB% A 22 PHE HD% 1.0 0.0 4.78 378 302 A 23 ILE HB A 22 PHE HD% 1.0 0.0 4.85 379 303 A 22 PHE HD% A 19 VAL HGy% 1.0 0.0 5.50 380 304 A 35 PHE HD% A 34 PRO HGy 1.0 0.0 4.41 381 305 A 35 PHE HD% A 34 PRO HGx 1.0 0.0 4.41 382 306 A 35 PHE HD% A 34 PRO HBy 1.0 0.0 4.59 383 307 A 35 PHE HD% A 36 CYS HBy 1.0 0.0 5.50 384 308 A 33 TYR H A 36 CYS HBy 1.0 0.0 5.50 385 309 A 25 CYS HBy A 27 LYS H 1.0 0.0 5.12 386 310 A 25 CYS HBx A 27 LYS H 1.0 0.0 5.50 387 311 A 33 TYR H A 36 CYS HBx 1.0 0.0 5.50 388 312 A 20 ARG H A 22 PHE HBx 1.0 0.0 5.50 389 312 A 22 PHE HBy A 20 ARG H 1.0 0.0 5.50 390 313 A 36 CYS H A 34 PRO HDx 1.0 0.0 5.50 391 313 A 36 CYS H A 34 PRO HDy 1.0 0.0 5.50 392 314 A 35 PHE HE% A 17 GLU HA 1.0 0.0 4.29 393 315 A 25 CYS HBy A 22 PHE HD% 1.0 0.0 5.50 394 316 A 35 PHE HD% A 36 CYS HBx 1.0 0.0 5.50 395 317 A 35 PHE HD% A 17 GLU HA 1.0 0.0 4.65 396 318 A 19 VAL HA A 22 PHE HD% 1.0 0.0 4.51 397 319 A 33 TYR HA A 35 PHE HE% 1.0 0.0 5.37 398 320 A 26 LEU H A 24 GLU HA 1.0 0.0 5.11 399 321 A 23 ILE H A 19 VAL HA 1.0 0.0 5.50 400 322 A 21 CYS HBy A 36 CYS HBx 1.0 0.0 3.67 401 322 A 21 CYS HBx A 36 CYS HBx 1.0 0.0 3.67 402 323 A 36 CYS HBy A 21 CYS HBx 1.0 0.0 3.67 403 323 A 21 CYS HBy A 36 CYS HBy 1.0 0.0 3.67 404 324 A 34 PRO HA A 35 PHE HA 1.0 0.0 5.13 405 325 A 26 LEU HA A 25 CYS HA 1.0 0.0 5.15 406 326 A 19 VAL HA A 18 ALA HA 1.0 0.0 5.41 407 327 A 19 VAL HA A 22 PHE HA 1.0 0.0 5.50 408 328 A 23 ILE HA A 22 PHE HBx 1.0 0.0 4.58 409 328 A 22 PHE HBy A 23 ILE HA 1.0 0.0 4.58 410 329 A 36 CYS HA A 37 HIS HBx 1.0 0.0 4.58 411 329 A 37 HIS HBy A 36 CYS HA 1.0 0.0 4.58 412 330 A 36 CYS HA A 21 CYS HBx 1.0 0.0 3.76 413 330 A 21 CYS HBy A 36 CYS HA 1.0 0.0 3.76 414 331 A 25 CYS HBy A 38 CYS HA 1.0 0.0 5.50 415 332 A 25 CYS HBy A 22 PHE HA 1.0 0.0 3.74 416 333 A 18 ALA HA A 21 CYS HBx 1.0 0.0 3.94 417 333 A 21 CYS HBy A 18 ALA HA 1.0 0.0 3.94 418 334 A 25 CYS HBx A 22 PHE HA 1.0 0.0 4.42 419 335 A 32 LYS HA A 31 HIS HBx 1.0 0.0 4.79 420 335 A 31 HIS HBy A 32 LYS HA 1.0 0.0 4.79 421 336 A 25 CYS HBy A 26 LEU HA 1.0 0.0 4.96 422 337 A 36 CYS HBy A 33 TYR HBx 1.0 0.0 4.29 423 338 A 36 CYS HBy A 33 TYR HBy 1.0 0.0 4.29 424 339 A 33 TYR HBy A 36 CYS HBx 1.0 0.0 4.29 425 340 A 33 TYR HBx A 36 CYS HBx 1.0 0.0 4.29 426 341 A 21 CYS HA A 24 GLU HBx 1.0 0.0 3.76 427 341 A 24 GLU HBy A 21 CYS HA 1.0 0.0 3.76 428 342 A 9 ASP HA A 12 LYS HBx 1.0 0.0 3.99 429 342 A 12 LYS HBy A 9 ASP HA 1.0 0.0 3.99 430 343 A 33 TYR HA A 34 PRO HGy 1.0 0.0 4.95 431 344 A 33 TYR HA A 34 PRO HGx 1.0 0.0 4.95 432 345 A 24 GLU HGx A 21 CYS HA 1.0 0.0 3.54 433 346 A 21 CYS HA A 24 GLU HGy 1.0 0.0 3.89 434 347 A 9 ASP HA A 10 LEU HBx 1.0 0.0 5.28 435 347 A 9 ASP HA A 10 LEU HBy 1.0 0.0 5.28 436 348 A 9 ASP HA A 12 LYS HDx 1.0 0.0 5.34 437 348 A 12 LYS HDy A 9 ASP HA 1.0 0.0 5.34 438 349 A 18 ALA HB% A 19 VAL HA 1.0 0.0 4.38 439 350 A 23 ILE HA A 26 LEU HBx 1.0 0.0 3.23 440 350 A 26 LEU HBy A 23 ILE HA 1.0 0.0 3.23 441 351 A 20 ARG HGx A 17 GLU HA 1.0 0.0 5.10 442 352 A 20 ARG HBx A 17 GLU HA 1.0 0.0 3.83 443 353 A 20 ARG HBy A 17 GLU HA 1.0 0.0 4.90 444 354 A 23 ILE HA A 26 LEU HDx% 1.0 0.0 3.67 445 354 A 23 ILE HA A 26 LEU HDy% 1.0 0.0 3.67 446 355 A 29 ILE HD1% A 24 GLU HGy 1.0 0.0 4.49 447 356 A 18 ALA HB% A 21 CYS HBx 1.0 0.0 5.08 448 356 A 21 CYS HBy A 18 ALA HB% 1.0 0.0 5.08 449 357 A 33 TYR HE% A 32 LYS HBy 1.0 0.0 4.33 450 358 A 20 ARG HGy A 33 TYR HE% 1.0 0.0 4.81 451 359 A 20 ARG HBy A 33 TYR HE% 1.0 0.0 3.98 452 360 A 29 ILE HB A 33 TYR HE% 1.0 0.0 5.50 453 361 A 33 TYR HD% A 32 LYS HGy 1.0 0.0 5.16 454 362 A 20 ARG HGy A 33 TYR HD% 1.0 0.0 5.50 455 363 A 33 TYR HD% A 32 LYS HBx 1.0 0.0 4.20 456 364 A 20 ARG HBy A 33 TYR HD% 1.0 0.0 4.00 457 365 A 33 TYR HE% A 34 PRO HDx 1.0 0.0 5.50 458 365 A 34 PRO HDy A 33 TYR HE% 1.0 0.0 5.50 459 366 A 32 LYS HA A 33 TYR HE% 1.0 0.0 5.50 460 367 A 32 LYS HA A 33 TYR HD% 1.0 0.0 4.83 461 368 A 35 PHE H A 33 TYR HA 1.0 0.0 5.50 462 369 A 7 THR H A 6 PHE HD% 1.0 0.0 5.50 463 370 A 21 CYS H A 35 PHE HE% 1.0 0.0 5.42 464 371 A 21 CYS H A 22 PHE HD% 1.0 0.0 5.50 465 372 A 5 THR H A 4 GLY H 1.0 0.0 5.37 466 373 A 36 CYS H A 33 TYR HD% 1.0 0.0 5.50 467 374 A 38 CYS H A 36 CYS HBy 1.0 0.0 5.30 468 375 A 22 PHE H A 19 VAL HA 1.0 0.0 3.88 469 376 A 25 CYS H A 29 ILE HD1% 1.0 0.0 4.71 470 377 A 22 PHE H A 18 ALA HB% 1.0 0.0 5.50 471 378 A 20 ARG HBy A 35 PHE HE% 1.0 0.0 5.50 472 379 A 35 PHE HD% A 35 PHE HA 1.0 0.0 3.74 473 380 A 36 CYS HA A 35 PHE HD% 1.0 0.0 5.09 474 381 A 33 TYR HA A 35 PHE HD% 1.0 0.0 5.43 475 382 A 19 VAL HA A 22 PHE HBx 1.0 0.0 3.19 476 382 A 22 PHE HBy A 19 VAL HA 1.0 0.0 3.19 477 383 A 39 ARG H A 39 ARG HGy 1.0 0.0 4.67 478 384 A 27 LYS HA A 26 LEU HBx 1.0 0.0 4.66 479 384 A 26 LEU HBy A 27 LYS HA 1.0 0.0 4.66 480 385 A 27 LYS H A 27 LYS HDx 1.0 0.0 4.46 481 385 A 27 LYS H A 27 LYS HDy 1.0 0.0 4.46 482 386 A 28 GLY H A 27 LYS HDx 1.0 0.0 4.94 483 386 A 28 GLY H A 27 LYS HDy 1.0 0.0 4.94 484 387 A 7 THR HA A 10 LEU HBx 1.0 0.0 4.68 485 387 A 7 THR HA A 10 LEU HBy 1.0 0.0 4.68 486 388 A 27 LYS HA A 27 LYS HDx 1.0 0.0 4.91 487 388 A 27 LYS HA A 27 LYS HDy 1.0 0.0 4.91 488 389 A 1 HIS HA A 1 HIS HD2 1.0 0.0 5.50 489 390 A 36 CYS H A 35 PHE HBy 1.0 0.0 4.50 490 391 A 25 CYS H A 23 ILE H 1.0 0.0 5.00 491 392 A 25 CYS H A 27 LYS H 1.0 0.0 5.26 492 393 A 35 PHE HD% A 34 PRO HBx 1.0 0.0 5.29 493 394 A 33 TYR HD% A 24 GLU HBx 1.0 0.0 4.78 494 394 A 24 GLU HBy A 33 TYR HD% 1.0 0.0 4.78 495 395 A 35 PHE H A 34 PRO HBx 1.0 0.0 4.50 496 396 A 21 CYS H A 22 PHE H 1.0 0.0 3.74 497 397 A 35 PHE HE% A 34 PRO HBx 1.0 0.0 5.50 498 398 A 24 GLU HGx A 33 TYR HD% 1.0 0.0 5.50 499 399 A 24 GLU HGx A 33 TYR HE% 1.0 0.0 4.79 500 400 A 18 ALA HB% A 35 PHE HE% 1.0 0.0 5.50 501 401 A 18 ALA HB% A 35 PHE HD% 1.0 0.0 5.50 502 402 A 35 PHE HD% A 18 ALA HA 1.0 0.0 4.93 503 403 A 20 ARG H A 17 GLU HA 1.0 0.0 4.18 504 404 A 35 PHE HE% A 17 GLU HBx 1.0 0.0 4.84 505 405 A 20 ARG HGx A 20 ARG HA 1.0 0.0 3.82 506 406 A 20 ARG HGy A 20 ARG HA 1.0 0.0 3.91 507 407 A 24 GLU HGy A 33 TYR HD% 1.0 0.0 4.92 508 408 A 24 GLU HGy A 33 TYR HE% 1.0 0.0 4.44 509 409 A 33 TYR HE% A 24 GLU HBx 1.0 0.0 4.85 510 409 A 24 GLU HBy A 33 TYR HE% 1.0 0.0 4.85 511 410 A 24 GLU HGy A 24 GLU HBx 1.0 0.0 2.97 512 410 A 24 GLU HBy A 24 GLU HGy 1.0 0.0 2.97 513 411 A 24 GLU HGx A 24 GLU HBx 1.0 0.0 2.75 514 411 A 24 GLU HBy A 24 GLU HGx 1.0 0.0 2.75 515 412 A 24 GLU H A 24 GLU HBx 1.0 0.0 3.91 516 412 A 24 GLU HBy A 24 GLU H 1.0 0.0 3.91 517 413 A 10 LEU H A 12 LYS HBx 1.0 0.0 5.03 518 413 A 12 LYS HBy A 10 LEU H 1.0 0.0 5.03 519 414 A 11 SER H A 12 LYS HBx 1.0 0.0 5.28 520 414 A 11 SER H A 12 LYS HBy 1.0 0.0 5.28 521 415 A 6 PHE H A 6 PHE HBx 1.0 0.0 3.32 522 415 A 6 PHE H A 6 PHE HBy 1.0 0.0 3.32 523 416 A 7 THR H A 6 PHE HBx 1.0 0.0 3.99 524 416 A 7 THR H A 6 PHE HBy 1.0 0.0 3.99 525 417 A 7 THR H A 10 LEU HDy% 1.0 0.0 5.44 526 417 A 7 THR H A 10 LEU HDx% 1.0 0.0 5.44 527 418 A 8 SER H A 8 SER HBy 1.0 0.0 3.40 528 418 A 8 SER H A 8 SER HBx 1.0 0.0 3.40 529 419 A 9 ASP H A 8 SER HBy 1.0 0.0 3.82 530 419 A 9 ASP H A 8 SER HBx 1.0 0.0 3.82 531 420 A 8 SER HBy A 9 ASP HBy 1.0 0.0 4.54 532 420 A 8 SER HBx A 9 ASP HBy 1.0 0.0 4.54 533 420 A 9 ASP HBx A 8 SER HBy 1.0 0.0 4.54 534 420 A 8 SER HBx A 9 ASP HBx 1.0 0.0 4.54 535 421 A 8 SER HBy A 10 LEU HBx 1.0 0.0 5.34 536 421 A 8 SER HBx A 10 LEU HBx 1.0 0.0 5.34 537 421 A 10 LEU HBy A 8 SER HBy 1.0 0.0 5.34 538 421 A 10 LEU HBy A 8 SER HBx 1.0 0.0 5.34 539 422 A 9 ASP H A 9 ASP HBy 1.0 0.0 3.26 540 422 A 9 ASP H A 9 ASP HBx 1.0 0.0 3.26 541 423 A 12 LYS H A 9 ASP HBy 1.0 0.0 4.69 542 423 A 12 LYS H A 9 ASP HBx 1.0 0.0 4.69 543 424 A 10 LEU H A 10 LEU HDy% 1.0 0.0 4.77 544 424 A 10 LEU H A 10 LEU HDx% 1.0 0.0 4.77 545 425 A 10 LEU HA A 10 LEU HDy% 1.0 0.0 3.24 546 425 A 10 LEU HA A 10 LEU HDx% 1.0 0.0 3.24 547 426 A 10 LEU HBx A 10 LEU HDy% 1.0 0.0 2.55 548 426 A 10 LEU HBy A 10 LEU HDy% 1.0 0.0 2.55 549 426 A 10 LEU HDx% A 10 LEU HBx 1.0 0.0 2.55 550 426 A 10 LEU HBy A 10 LEU HDx% 1.0 0.0 2.55 551 427 A 10 LEU HBx A 11 SER HBy 1.0 0.0 4.26 552 427 A 10 LEU HBy A 11 SER HBy 1.0 0.0 4.26 553 427 A 11 SER HBx A 10 LEU HBx 1.0 0.0 4.26 554 427 A 10 LEU HBy A 11 SER HBx 1.0 0.0 4.26 555 428 A 11 SER H A 10 LEU HDy% 1.0 0.0 4.37 556 428 A 11 SER H A 10 LEU HDx% 1.0 0.0 4.37 557 429 A 11 SER HA A 10 LEU HDy% 1.0 0.0 3.65 558 429 A 10 LEU HDx% A 11 SER HA 1.0 0.0 3.65 559 430 A 10 LEU HDy% A 11 SER HBy 1.0 0.0 3.57 560 430 A 10 LEU HDx% A 11 SER HBy 1.0 0.0 3.57 561 430 A 11 SER HBx A 10 LEU HDy% 1.0 0.0 3.57 562 430 A 10 LEU HDx% A 11 SER HBx 1.0 0.0 3.57 563 431 A 12 LYS H A 11 SER HBy 1.0 0.0 4.01 564 431 A 12 LYS H A 11 SER HBx 1.0 0.0 4.01 565 432 A 13 GLN H A 13 GLN HGx 1.0 0.0 3.72 566 432 A 13 GLN H A 13 GLN HGy 1.0 0.0 3.72 567 433 A 14 MET HA A 14 MET HGy 1.0 0.0 3.53 568 433 A 14 MET HA A 14 MET HGx 1.0 0.0 3.53 569 434 A 15 GLU H A 14 MET HGy 1.0 0.0 5.34 570 434 A 15 GLU H A 14 MET HGx 1.0 0.0 5.34 571 435 A 15 GLU H A 15 GLU HGx 1.0 0.0 4.54 572 435 A 15 GLU H A 15 GLU HGy 1.0 0.0 4.54 573 436 A 15 GLU HA A 15 GLU HGx 1.0 0.0 3.35 574 436 A 15 GLU HA A 15 GLU HGy 1.0 0.0 3.35 575 437 A 15 GLU HA A 19 VAL HGy% 1.0 0.0 5.44 576 437 A 15 GLU HA A 19 VAL HGx% 1.0 0.0 5.44 577 438 A 16 GLU H A 15 GLU HGx 1.0 0.0 5.25 578 438 A 16 GLU H A 15 GLU HGy 1.0 0.0 5.25 579 439 A 16 GLU H A 19 VAL HGy% 1.0 0.0 5.31 580 439 A 16 GLU H A 19 VAL HGx% 1.0 0.0 5.31 581 440 A 17 GLU H A 16 GLU HGx 1.0 0.0 4.61 582 440 A 17 GLU H A 16 GLU HGy 1.0 0.0 4.61 583 441 A 18 ALA H A 16 GLU HGx 1.0 0.0 5.33 584 441 A 18 ALA H A 16 GLU HGy 1.0 0.0 5.33 585 442 A 17 GLU H A 17 GLU HBy 1.0 0.0 2.86 586 442 A 17 GLU H A 17 GLU HBx 1.0 0.0 2.86 587 443 A 18 ALA H A 17 GLU HBy 1.0 0.0 3.22 588 443 A 18 ALA H A 17 GLU HBx 1.0 0.0 3.22 589 444 A 19 VAL H A 17 GLU HBy 1.0 0.0 5.13 590 444 A 19 VAL H A 17 GLU HBx 1.0 0.0 5.13 591 445 A 35 PHE HD% A 17 GLU HBy 1.0 0.0 3.74 592 445 A 35 PHE HD% A 17 GLU HBx 1.0 0.0 3.74 593 446 A 18 ALA HA A 19 VAL HGy% 1.0 0.0 5.44 594 446 A 18 ALA HA A 19 VAL HGx% 1.0 0.0 5.44 595 447 A 19 VAL H A 19 VAL HGy% 1.0 0.0 2.95 596 447 A 19 VAL H A 19 VAL HGx% 1.0 0.0 2.95 597 448 A 19 VAL HA A 19 VAL HGy% 1.0 0.0 2.80 598 448 A 19 VAL HA A 19 VAL HGx% 1.0 0.0 2.80 599 449 A 20 ARG H A 19 VAL HGy% 1.0 0.0 3.62 600 449 A 20 ARG H A 19 VAL HGx% 1.0 0.0 3.62 601 450 A 20 ARG HA A 19 VAL HGy% 1.0 0.0 4.04 602 450 A 20 ARG HA A 19 VAL HGx% 1.0 0.0 4.04 603 451 A 20 ARG HBy A 19 VAL HGy% 1.0 0.0 5.44 604 451 A 20 ARG HBy A 19 VAL HGx% 1.0 0.0 5.44 605 452 A 20 ARG HGx A 19 VAL HGy% 1.0 0.0 4.18 606 452 A 20 ARG HGx A 19 VAL HGx% 1.0 0.0 4.18 607 453 A 21 CYS H A 19 VAL HGy% 1.0 0.0 4.83 608 453 A 21 CYS H A 19 VAL HGx% 1.0 0.0 4.83 609 454 A 22 PHE H A 19 VAL HGy% 1.0 0.0 5.44 610 454 A 22 PHE H A 19 VAL HGx% 1.0 0.0 5.44 611 455 A 22 PHE HD% A 19 VAL HGy% 1.0 0.0 4.64 612 455 A 22 PHE HD% A 19 VAL HGx% 1.0 0.0 4.64 613 456 A 22 PHE HE% A 19 VAL HGy% 1.0 0.0 5.36 614 456 A 22 PHE HE% A 19 VAL HGx% 1.0 0.0 5.36 615 457 A 21 CYS HA A 36 CYS HBx 1.0 0.0 4.91 616 457 A 21 CYS HA A 36 CYS HBy 1.0 0.0 4.91 617 458 A 25 CYS HBx A 38 CYS HBx 1.0 0.0 3.45 618 458 A 25 CYS HBx A 38 CYS HBy 1.0 0.0 3.45 619 459 A 25 CYS HBy A 38 CYS HBx 1.0 0.0 4.08 620 459 A 25 CYS HBy A 38 CYS HBy 1.0 0.0 4.08 621 460 A 27 LYS H A 27 LYS HBy 1.0 0.0 3.65 622 460 A 27 LYS H A 27 LYS HBx 1.0 0.0 3.65 623 461 A 27 LYS H A 27 LYS HGx 1.0 0.0 3.41 624 461 A 27 LYS H A 27 LYS HGy 1.0 0.0 3.41 625 462 A 27 LYS HA A 27 LYS HGx 1.0 0.0 3.40 626 462 A 27 LYS HA A 27 LYS HGy 1.0 0.0 3.40 627 463 A 28 GLY H A 27 LYS HBy 1.0 0.0 3.86 628 463 A 28 GLY H A 27 LYS HBx 1.0 0.0 3.86 629 464 A 29 ILE H A 27 LYS HBy 1.0 0.0 5.14 630 464 A 29 ILE H A 27 LYS HBx 1.0 0.0 5.14 631 465 A 29 ILE H A 28 GLY HAy 1.0 0.0 3.07 632 465 A 29 ILE H A 28 GLY HAx 1.0 0.0 3.07 633 466 A 30 GLY H A 28 GLY HAy 1.0 0.0 4.81 634 466 A 30 GLY H A 28 GLY HAx 1.0 0.0 4.81 635 467 A 29 ILE H A 30 GLY HAy 1.0 0.0 5.34 636 467 A 29 ILE H A 30 GLY HAx 1.0 0.0 5.34 637 468 A 29 ILE HA A 30 GLY HAy 1.0 0.0 4.87 638 468 A 29 ILE HA A 30 GLY HAx 1.0 0.0 4.87 639 469 A 29 ILE HD1% A 30 GLY HAy 1.0 0.0 4.22 640 469 A 29 ILE HD1% A 30 GLY HAx 1.0 0.0 4.22 641 470 A 30 GLY HAy A 31 HIS HBx 1.0 0.0 4.87 642 470 A 30 GLY HAx A 31 HIS HBx 1.0 0.0 4.87 643 470 A 31 HIS HBy A 30 GLY HAy 1.0 0.0 4.87 644 470 A 31 HIS HBy A 30 GLY HAx 1.0 0.0 4.87 645 471 A 32 LYS H A 30 GLY HAy 1.0 0.0 5.34 646 471 A 32 LYS H A 30 GLY HAx 1.0 0.0 5.34 647 472 A 31 HIS H A 32 LYS HBy 1.0 0.0 5.12 648 472 A 31 HIS H A 32 LYS HBx 1.0 0.0 5.12 649 473 A 32 LYS H A 32 LYS HGx 1.0 0.0 4.24 650 473 A 32 LYS H A 32 LYS HGy 1.0 0.0 4.24 651 474 A 32 LYS HA A 32 LYS HGx 1.0 0.0 3.64 652 474 A 32 LYS HA A 32 LYS HGy 1.0 0.0 3.64 653 475 A 33 TYR HD% A 32 LYS HBy 1.0 0.0 3.64 654 475 A 33 TYR HD% A 32 LYS HBx 1.0 0.0 3.64 655 476 A 33 TYR HE% A 32 LYS HBy 1.0 0.0 3.81 656 476 A 33 TYR HE% A 32 LYS HBx 1.0 0.0 3.81 657 477 A 33 TYR HD% A 32 LYS HGx 1.0 0.0 4.47 658 477 A 33 TYR HD% A 32 LYS HGy 1.0 0.0 4.47 659 478 A 33 TYR HE% A 32 LYS HGx 1.0 0.0 4.53 660 478 A 33 TYR HE% A 32 LYS HGy 1.0 0.0 4.53 661 479 A 33 TYR H A 33 TYR HBx 1.0 0.0 3.19 662 479 A 33 TYR H A 33 TYR HBy 1.0 0.0 3.19 663 480 A 33 TYR H A 36 CYS HBx 1.0 0.0 4.69 664 480 A 33 TYR H A 36 CYS HBy 1.0 0.0 4.69 665 481 A 35 PHE H A 33 TYR HBx 1.0 0.0 4.55 666 481 A 35 PHE H A 33 TYR HBy 1.0 0.0 4.55 667 482 A 35 PHE HE% A 33 TYR HBx 1.0 0.0 3.74 668 482 A 35 PHE HE% A 33 TYR HBy 1.0 0.0 3.74 669 483 A 36 CYS H A 33 TYR HBx 1.0 0.0 4.03 670 483 A 36 CYS H A 33 TYR HBy 1.0 0.0 4.03 671 484 A 33 TYR HBy A 36 CYS HBx 1.0 0.0 3.29 672 484 A 33 TYR HBx A 36 CYS HBx 1.0 0.0 3.29 673 484 A 36 CYS HBy A 33 TYR HBx 1.0 0.0 3.29 674 484 A 36 CYS HBy A 33 TYR HBy 1.0 0.0 3.29 675 485 A 33 TYR HD% A 34 PRO HGx 1.0 0.0 5.23 676 485 A 33 TYR HD% A 34 PRO HGy 1.0 0.0 5.23 677 486 A 33 TYR HE% A 36 CYS HBx 1.0 0.0 4.87 678 486 A 33 TYR HE% A 36 CYS HBy 1.0 0.0 4.87 679 487 A 35 PHE H A 34 PRO HGx 1.0 0.0 3.85 680 487 A 35 PHE H A 34 PRO HGy 1.0 0.0 3.85 681 488 A 35 PHE HD% A 34 PRO HGx 1.0 0.0 3.62 682 488 A 35 PHE HD% A 34 PRO HGy 1.0 0.0 3.62 683 489 A 35 PHE HE% A 34 PRO HGx 1.0 0.0 3.92 684 489 A 35 PHE HE% A 34 PRO HGy 1.0 0.0 3.92 685 490 A 35 PHE H A 36 CYS HBx 1.0 0.0 5.07 686 490 A 35 PHE H A 36 CYS HBy 1.0 0.0 5.07 687 491 A 36 CYS H A 35 PHE HBx 1.0 0.0 3.93 688 491 A 36 CYS H A 35 PHE HBy 1.0 0.0 3.93 689 492 A 35 PHE HE% A 36 CYS HBx 1.0 0.0 5.34 690 492 A 35 PHE HE% A 36 CYS HBy 1.0 0.0 5.34 691 493 A 36 CYS H A 36 CYS HBx 1.0 0.0 3.01 692 493 A 36 CYS H A 36 CYS HBy 1.0 0.0 3.01 693 494 A 38 CYS H A 36 CYS HBx 1.0 0.0 4.56 694 494 A 38 CYS H A 36 CYS HBy 1.0 0.0 4.56 695 495 A 36 CYS HBy A 38 CYS HBx 1.0 0.0 5.18 696 495 A 36 CYS HBx A 38 CYS HBx 1.0 0.0 5.18 697 495 A 38 CYS HBy A 36 CYS HBx 1.0 0.0 5.18 698 495 A 36 CYS HBy A 38 CYS HBy 1.0 0.0 5.18 699 496 A 38 CYS H A 38 CYS HBx 1.0 0.0 3.01 700 496 A 38 CYS H A 38 CYS HBy 1.0 0.0 3.01 701 497 A 39 ARG H A 38 CYS HBx 1.0 0.0 3.85 702 497 A 39 ARG H A 38 CYS HBy 1.0 0.0 3.85 703 498 A 39 ARG H A 39 ARG HBx 1.0 0.0 3.58 704 498 A 39 ARG H A 39 ARG HBy 1.0 0.0 3.58 705 499 A 39 ARG H A 39 ARG HGy 1.0 0.0 4.02 706 499 A 39 ARG H A 39 ARG HGx 1.0 0.0 4.02 707 500 A 39 ARG HA A 39 ARG HGy 1.0 0.0 3.60 708 500 A 39 ARG HA A 39 ARG HGx 1.0 0.0 3.60 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 1 HIS C A 2 GLY N A 2 GLY CA A 2 GLY C 1.0 71.0 130.4 PHI 2 2 A 2 GLY N A 2 GLY CA A 2 GLY C A 3 GLU N 1.0 -199.2 -150.0 PSI 3 3 A 4 GLY C A 5 THR N A 5 THR CA A 5 THR C 1.0 -141.8 -95.6 PHI 4 4 A 5 THR N A 5 THR CA A 5 THR C A 6 PHE N 1.0 109.7 150.9 PSI 5 5 A 5 THR C A 6 PHE N A 6 PHE CA A 6 PHE C 1.0 -116.2 -72.2 PHI 6 6 A 6 PHE N A 6 PHE CA A 6 PHE C A 7 THR N 1.0 104.1 144.1 PSI 7 7 A 6 PHE C A 7 THR N A 7 THR CA A 7 THR C 1.0 -130.7 -90.3 PHI 8 8 A 7 THR N A 7 THR CA A 7 THR C A 8 SER N 1.0 108.3 150.7 PSI 9 9 A 7 THR C A 8 SER N A 8 SER CA A 8 SER C 1.0 -160.7 -36.1 PHI 10 10 A 8 SER N A 8 SER CA A 8 SER C A 9 ASP N 1.0 49.5 197.5 PSI 11 11 A 9 ASP C A 10 LEU N A 10 LEU CA A 10 LEU C 1.0 -84.8 -44.8 PHI 12 12 A 10 LEU N A 10 LEU CA A 10 LEU C A 11 SER N 1.0 -42.4 -1.8 PSI 13 13 A 10 LEU C A 11 SER N A 11 SER CA A 11 SER C 1.0 -110.0 -70.0 PHI 14 14 A 11 SER N A 11 SER CA A 11 SER C A 12 LYS N 1.0 -15.2 24.8 PSI 15 15 A 11 SER C A 12 LYS N A 12 LYS CA A 12 LYS C 1.0 37.6 77.6 PHI 16 16 A 12 LYS N A 12 LYS CA A 12 LYS C A 13 GLN N 1.0 14.9 57.7 PSI 17 17 A 17 GLU C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 34.9 74.9 PHI 18 18 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 VAL N 1.0 7.8 70.2 PSI 19 19 A 18 ALA C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -107.9 -27.9 PHI 20 20 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 ARG N 1.0 -56.5 4.3 PSI 21 21 A 19 VAL C A 20 ARG N A 20 ARG CA A 20 ARG C 1.0 -84.9 -44.9 PHI 22 22 A 20 ARG N A 20 ARG CA A 20 ARG C A 21 CYS N 1.0 -58.4 -4.6 PSI 23 23 A 20 ARG C A 21 CYS N A 21 CYS CA A 21 CYS C 1.0 -103.9 -23.9 PHI 24 24 A 21 CYS N A 21 CYS CA A 21 CYS C A 22 PHE N 1.0 -64.8 -4.8 PSI 25 25 A 21 CYS C A 22 PHE N A 22 PHE CA A 22 PHE C 1.0 -96.6 -36.6 PHI 26 26 A 22 PHE N A 22 PHE CA A 22 PHE C A 23 ILE N 1.0 -69.0 -9.0 PSI 27 27 A 22 PHE C A 23 ILE N A 23 ILE CA A 23 ILE C 1.0 -89.7 -49.7 PHI 28 28 A 23 ILE N A 23 ILE CA A 23 ILE C A 24 GLU N 1.0 -48.3 -8.3 PSI 29 29 A 24 GLU C A 25 CYS N A 25 CYS CA A 25 CYS C 1.0 -101.9 -41.9 PHI 30 30 A 25 CYS N A 25 CYS CA A 25 CYS C A 26 LEU N 1.0 -51.4 8.6 PSI 31 31 A 28 GLY C A 29 ILE N A 29 ILE CA A 29 ILE C 1.0 -139.3 -75.1 PHI 32 32 A 29 ILE N A 29 ILE CA A 29 ILE C A 30 GLY N 1.0 89.9 165.5 PSI 33 33 A 29 ILE C A 30 GLY N A 30 GLY CA A 30 GLY C 1.0 -147.1 -68.1 PHI 34 34 A 30 GLY N A 30 GLY CA A 30 GLY C A 31 HIS N 1.0 90.9 226.7 PSI 35 35 A 32 LYS C A 33 TYR N A 33 TYR CA A 33 TYR C 1.0 -159.6 -46.0 PHI 36 36 A 33 TYR N A 33 TYR CA A 33 TYR C A 34 PRO N 1.0 29.7 169.7 PSI 37 37 A 34 PRO C A 35 PHE N A 35 PHE CA A 35 PHE C 1.0 -130.1 -62.3 PHI 38 38 A 35 PHE N A 35 PHE CA A 35 PHE C A 36 CYS N 1.0 -48.1 91.9 PSI stop_ save_