data_nef_c30311_5w96 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5W96 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 2 10 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 LEU start . . 2 A 2 PRO middle . false 3 A 3 SER middle . . 4 A 4 ASP middle . . 5 A 5 ASP middle . . 6 A 6 LEU middle . . 7 A 7 GLU middle . . 8 A 8 PHE middle . . 9 A 9 TRP middle . . 10 A 10 CYS middle -HG . 11 A 11 HIS middle . . 12 A 12 VAL middle . . 13 A 13 MET middle . . 14 A 14 TYR end . . 15 B 51 LEU start . . 16 B 52 PRO middle . false 17 B 53 SER middle . . 18 B 54 ASP middle . . 19 B 55 ASP middle . . 20 B 56 LEU middle . . 21 B 57 GLU middle . . 22 B 58 PHE middle . . 23 B 59 TRP middle . . 24 B 60 CYS middle -HG . 25 B 61 HIS middle . . 26 B 62 VAL middle . . 27 B 63 MET middle . . 28 B 64 TYR 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 1 LEU HA H 1 4.517 0.004 A 1 LEU HBy H 1 1.506 0.001 A 1 LEU HBx H 1 1.413 0.003 A 1 LEU HDx% H 1 0.846 0.002 A 1 LEU HG H 1 1.615 0.002 A 2 PRO HA H 1 4.306 0.003 A 2 PRO HBx H 1 2.104 0.003 A 2 PRO HDy H 1 3.645 0.003 A 2 PRO HDx H 1 3.417 0.003 A 2 PRO HGy H 1 1.823 0.004 A 2 PRO HGx H 1 1.763 0.005 A 3 SER H H 1 7.857 0.001 A 3 SER HA H 1 4.310 0.003 A 3 SER HBx H 1 3.709 0.003 A 3 SER HBy H 1 3.922 0.002 A 4 ASP H H 1 8.229 0.003 A 4 ASP HA H 1 4.584 0.002 A 4 ASP HBy H 1 2.696 0.002 A 5 ASP H H 1 8.216 0.001 A 5 ASP HA H 1 3.174 0.004 A 5 ASP HBx H 1 1.812 0.001 A 5 ASP HBy H 1 1.921 0.002 A 6 LEU H H 1 8.222 0.002 A 6 LEU HA H 1 4.318 0.003 A 6 LEU HBy H 1 1.912 0.004 A 6 LEU HBx H 1 1.909 0.001 A 6 LEU HDx% H 1 0.822 0.002 A 6 LEU HDy% H 1 0.886 0.003 A 6 LEU HG H 1 1.835 0.004 A 7 GLU H H 1 8.084 0.001 A 7 GLU HA H 1 4.705 0.004 A 7 GLU HBy H 1 2.655 0.003 A 7 GLU HGx H 1 2.864 0.003 A 8 PHE H H 1 7.782 0.002 A 8 PHE HA H 1 4.188 0.004 A 8 PHE HBy H 1 3.135 0.004 A 8 PHE HBx H 1 3.014 0.004 A 8 PHE HDx H 1 6.919 0.002 A 8 PHE HDy H 1 6.919 0.002 A 8 PHE HEx H 1 7.009 0.002 A 8 PHE HEy H 1 7.009 0.002 A 8 PHE HZ H 1 7.126 0.002 A 9 TRP H H 1 8.238 0.002 A 9 TRP HA H 1 4.048 0.002 A 9 TRP HBx H 1 3.339 0.003 A 9 TRP HBy H 1 3.452 0.004 A 9 TRP HD1 H 1 7.281 0.002 A 9 TRP HE1 H 1 10.218 0.003 A 9 TRP HE3 H 1 7.595 0.002 A 9 TRP HH2 H 1 7.185 0.003 A 9 TRP HZ2 H 1 7.486 0.002 A 9 TRP HZ3 H 1 7.294 0.004 A 10 CYS H H 1 9.096 0.003 A 10 CYS HA H 1 4.450 0.003 A 10 CYS HBy H 1 3.151 0.002 A 10 CYS HBx H 1 2.956 0.002 A 11 HIS H H 1 7.810 0.002 A 11 HIS HA H 1 4.221 0.002 A 11 HIS HBx H 1 3.133 0.003 A 11 HIS HBy H 1 3.138 0.001 A 12 VAL H H 1 7.941 0.005 A 12 VAL HA H 1 3.493 0.004 A 12 VAL HB H 1 1.743 0.003 A 12 VAL HG11 H 1 0.487 0.001 A 12 VAL HG12 H 1 0.671 0.002 A 12 VAL HG13 H 1 0.487 0.001 A 12 VAL HG21 H 1 0.487 0.001 A 12 VAL HG22 H 1 0.671 0.002 A 12 VAL HG23 H 1 0.671 0.002 A 13 MET H H 1 7.931 0.002 A 13 MET HA H 1 3.950 0.004 A 13 MET HBx H 1 0.826 0.004 A 13 MET HBy H 1 1.194 0.004 A 13 MET HGx H 1 1.499 0.006 A 13 MET HGy H 1 1.755 0.001 A 14 TYR H H 1 7.735 0.002 A 14 TYR HA H 1 4.727 0.003 A 14 TYR HBy H 1 3.312 0.003 A 14 TYR HBx H 1 2.707 0.002 A 14 TYR HDx H 1 7.222 0.002 A 14 TYR HDy H 1 7.222 0.002 A 14 TYR HEx H 1 6.766 0.003 A 14 TYR HEy H 1 6.766 0.003 B 51 LEU HA H 1 4.517 0.004 B 51 LEU HBy H 1 1.506 0.001 B 51 LEU HBx H 1 1.413 0.003 B 51 LEU HDx% H 1 0.846 0.002 B 51 LEU HG H 1 1.615 0.002 B 52 PRO HA H 1 4.306 0.003 B 52 PRO HBx H 1 2.104 0.003 B 52 PRO HDy H 1 3.645 0.003 B 52 PRO HDx H 1 3.417 0.003 B 52 PRO HGy H 1 1.823 0.004 B 52 PRO HGx H 1 1.763 0.005 B 53 SER H H 1 7.857 0.001 B 53 SER HA H 1 4.310 0.003 B 53 SER HBx H 1 3.709 0.003 B 53 SER HBy H 1 3.922 0.002 B 54 ASP H H 1 8.229 0.003 B 54 ASP HA H 1 4.584 0.002 B 54 ASP HBy H 1 2.696 0.002 B 55 ASP H H 1 8.216 0.001 B 55 ASP HA H 1 3.174 0.004 B 55 ASP HBx H 1 1.812 0.001 B 55 ASP HBy H 1 1.921 0.002 B 56 LEU H H 1 8.222 0.002 B 56 LEU HA H 1 4.318 0.003 B 56 LEU HBy H 1 1.912 0.004 B 56 LEU HBx H 1 1.909 0.001 B 56 LEU HDx% H 1 0.822 0.002 B 56 LEU HDy% H 1 0.886 0.003 B 56 LEU HG H 1 1.835 0.004 B 57 GLU H H 1 8.084 0.001 B 57 GLU HA H 1 4.705 0.004 B 57 GLU HBy H 1 2.655 0.003 B 57 GLU HGx H 1 2.864 0.003 B 58 PHE H H 1 7.782 0.002 B 58 PHE HA H 1 4.188 0.004 B 58 PHE HBy H 1 3.135 0.004 B 58 PHE HBx H 1 3.014 0.004 B 58 PHE HDx H 1 6.919 0.002 B 58 PHE HDy H 1 6.919 0.002 B 58 PHE HEx H 1 7.009 0.002 B 58 PHE HEy H 1 7.009 0.002 B 58 PHE HZ H 1 7.126 0.002 B 59 TRP H H 1 8.238 0.002 B 59 TRP HA H 1 4.048 0.002 B 59 TRP HBx H 1 3.339 0.003 B 59 TRP HBy H 1 3.452 0.004 B 59 TRP HD1 H 1 7.281 0.002 B 59 TRP HE1 H 1 10.218 0.003 B 59 TRP HE3 H 1 7.595 0.002 B 59 TRP HH2 H 1 7.185 0.003 B 59 TRP HZ2 H 1 7.486 0.002 B 59 TRP HZ3 H 1 7.294 0.004 B 60 CYS H H 1 9.096 0.003 B 60 CYS HA H 1 4.450 0.003 B 60 CYS HBy H 1 3.151 0.002 B 60 CYS HBx H 1 2.956 0.002 B 61 HIS H H 1 7.810 0.002 B 61 HIS HA H 1 4.221 0.002 B 61 HIS HBx H 1 3.133 0.003 B 61 HIS HBy H 1 3.138 0.001 B 62 VAL H H 1 7.941 0.005 B 62 VAL HA H 1 3.493 0.004 B 62 VAL HB H 1 1.743 0.003 B 62 VAL HG11 H 1 0.487 0.001 B 62 VAL HG12 H 1 0.671 0.002 B 62 VAL HG13 H 1 0.487 0.001 B 62 VAL HG21 H 1 0.487 0.001 B 62 VAL HG22 H 1 0.671 0.002 B 62 VAL HG23 H 1 0.671 0.002 B 63 MET H H 1 7.931 0.002 B 63 MET HA H 1 3.950 0.004 B 63 MET HBx H 1 0.826 0.004 B 63 MET HBy H 1 1.194 0.004 B 63 MET HGx H 1 1.499 0.006 B 63 MET HGy H 1 1.755 0.001 B 64 TYR H H 1 7.735 0.002 B 64 TYR HA H 1 4.727 0.003 B 64 TYR HBy H 1 3.312 0.003 B 64 TYR HBx H 1 2.707 0.002 B 64 TYR HDx H 1 7.222 0.002 B 64 TYR HDy H 1 7.222 0.002 B 64 TYR HEx H 1 6.766 0.003 B 64 TYR HEy H 1 6.766 0.003 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 10 CYS H A 10 CYS HBx 1.0 0.350 3.850 2 2 B 60 CYS H B 60 CYS HBx 1.0 0.350 3.850 3 3 A 10 CYS H A 10 CYS HBy 1.0 0.350 3.850 4 4 B 60 CYS H B 60 CYS HBy 1.0 0.350 3.850 5 5 A 10 CYS H A 9 TRP HBx 1.0 0.390 4.290 6 6 B 60 CYS H B 59 TRP HBx 1.0 0.390 4.290 7 7 A 10 CYS H A 9 TRP HBy 1.0 0.369 4.059 8 8 B 60 CYS H B 59 TRP HBy 1.0 0.369 4.059 9 9 A 10 CYS H A 9 TRP H 1.0 0.364 4.004 10 10 B 60 CYS H B 59 TRP H 1.0 0.364 4.004 11 11 A 9 TRP H A 9 TRP HE3 1.0 0.519 5.709 12 12 B 59 TRP H B 59 TRP HE3 1.0 0.519 5.709 13 13 A 1 LEU HA A 2 PRO HDy 1.0 0.359 3.949 14 14 B 51 LEU HA B 52 PRO HDy 1.0 0.359 3.949 15 15 A 12 VAL HA A 12 VAL HG11 1.0 0.324 3.564 16 16 B 62 VAL HA B 62 VAL HG11 1.0 0.324 3.564 17 17 A 12 VAL HG11 A 13 MET HGx 1.0 0.365 4.015 18 18 B 62 VAL HG11 B 63 MET HGx 1.0 0.365 4.015 19 19 A 12 VAL H A 12 VAL HG21 1.0 0.403 4.433 20 20 B 62 VAL H B 62 VAL HG21 1.0 0.403 4.433 21 21 A 12 VAL HG21 A 13 MET H 1.0 0.427 4.697 22 22 B 62 VAL HG21 B 63 MET H 1.0 0.427 4.697 23 23 A 12 VAL HG11 A 8 PHE HZ 1.0 0.472 5.192 24 24 B 62 VAL HG11 B 58 PHE HZ 1.0 0.472 5.192 25 25 A 12 VAL HG21 A 8 PHE HD% 1.0 0.466 5.126 26 26 B 62 VAL HG21 B 58 PHE HD% 1.0 0.466 5.126 27 27 A 12 VAL HG11 A 8 PHE HD% 1.0 0.384 4.224 28 28 B 62 VAL HG11 B 58 PHE HD% 1.0 0.384 4.224 29 29 A 12 VAL HG21 A 8 PHE HE% 1.0 0.467 5.137 30 30 B 62 VAL HG21 B 58 PHE HE% 1.0 0.467 5.137 31 31 A 12 VAL HG11 A 8 PHE HE% 1.0 0.383 4.213 32 32 B 62 VAL HG11 B 58 PHE HE% 1.0 0.383 4.213 33 33 A 12 VAL HG21 A 8 PHE HZ 1.0 0.460 5.060 34 34 B 62 VAL HG21 B 58 PHE HZ 1.0 0.460 5.060 35 35 A 8 PHE HD% A 8 PHE HA 1.0 0.343 3.773 36 36 B 58 PHE HD% B 58 PHE HA 1.0 0.343 3.773 37 37 A 8 PHE HE% A 8 PHE HA 1.0 0.462 5.082 38 38 B 58 PHE HE% B 58 PHE HA 1.0 0.462 5.082 39 39 A 14 TYR HA A 14 TYR HE% 1.0 0.455 5.005 40 40 B 64 TYR HA B 64 TYR HE% 1.0 0.455 5.005 41 41 A 14 TYR HA A 14 TYR HD% 1.0 0.323 3.553 42 42 B 64 TYR HA B 64 TYR HD% 1.0 0.323 3.553 43 43 A 14 TYR HD% A 14 TYR H 1.0 0.386 4.246 44 44 B 64 TYR HD% B 64 TYR H 1.0 0.386 4.246 45 45 A 9 TRP HBy A 9 TRP HE3 1.0 0.352 3.872 46 46 B 59 TRP HBy B 59 TRP HE3 1.0 0.352 3.872 47 47 A 9 TRP HBy A 9 TRP HD1 1.0 0.383 4.213 48 48 B 59 TRP HBy B 59 TRP HD1 1.0 0.383 4.213 49 49 A 9 TRP HBx A 9 TRP HD1 1.0 0.349 3.839 50 50 B 59 TRP HBx B 59 TRP HD1 1.0 0.349 3.839 51 51 A 9 TRP HE3 A 9 TRP HA 1.0 0.355 3.905 52 52 B 59 TRP HE3 B 59 TRP HA 1.0 0.355 3.905 53 53 A 9 TRP HD1 A 9 TRP HA 1.0 0.394 4.334 54 54 B 59 TRP HD1 B 59 TRP HA 1.0 0.394 4.334 55 55 A 9 TRP HBx A 9 TRP H 1.0 0.324 3.564 56 56 B 59 TRP HBx B 59 TRP H 1.0 0.324 3.564 57 57 A 9 TRP HBy A 9 TRP H 1.0 0.336 3.696 58 58 B 59 TRP HBy B 59 TRP H 1.0 0.336 3.696 59 59 A 9 TRP H A 8 PHE HBx 1.0 0.343 3.773 60 60 B 59 TRP H B 58 PHE HBx 1.0 0.343 3.773 61 61 A 9 TRP H A 8 PHE H 1.0 0.323 3.553 62 62 B 59 TRP H B 58 PHE H 1.0 0.323 3.553 63 63 A 13 MET HGx A 9 TRP HA 1.0 0.386 4.246 64 64 B 63 MET HGx B 59 TRP HA 1.0 0.386 4.246 65 65 A 8 PHE HD% A 9 TRP HA 1.0 0.412 4.532 66 66 B 58 PHE HD% B 59 TRP HA 1.0 0.412 4.532 67 67 A 8 PHE HBx A 8 PHE H 1.0 0.325 3.575 68 68 B 58 PHE HBx B 58 PHE H 1.0 0.325 3.575 69 69 A 8 PHE H A 8 PHE HBy 1.0 0.302 3.322 70 70 B 58 PHE H B 58 PHE HBy 1.0 0.302 3.322 71 71 A 10 CYS H A 9 TRP HE3 1.0 0.412 4.532 72 72 B 60 CYS H B 59 TRP HE3 1.0 0.412 4.532 73 73 A 9 TRP H A 8 PHE HBy 1.0 0.379 4.169 74 74 B 59 TRP H B 58 PHE HBy 1.0 0.379 4.169 75 75 A 12 VAL HA A 12 VAL HG21 1.0 0.325 3.575 76 76 B 62 VAL HA B 62 VAL HG21 1.0 0.325 3.575 77 77 A 10 CYS H A 12 VAL H 1.0 0.506 5.566 78 78 B 60 CYS H B 62 VAL H 1.0 0.506 5.566 79 79 A 13 MET H A 14 TYR H 1.0 0.338 3.718 80 80 B 63 MET H B 64 TYR H 1.0 0.338 3.718 81 81 A 13 MET H A 13 MET HGy 1.0 0.412 4.532 82 82 B 63 MET H B 63 MET HGy 1.0 0.412 4.532 83 83 A 13 MET H A 13 MET HBx 1.0 0.381 4.191 84 84 B 63 MET H B 63 MET HBx 1.0 0.381 4.191 85 85 A 13 MET H A 13 MET HBy 1.0 0.381 4.191 86 86 B 63 MET H B 63 MET HBy 1.0 0.381 4.191 87 87 A 12 VAL H A 9 TRP HA 1.0 0.392 4.312 88 88 B 62 VAL H B 59 TRP HA 1.0 0.392 4.312 89 89 A 12 VAL H A 10 CYS HA 1.0 0.492 5.412 90 90 B 62 VAL H B 60 CYS HA 1.0 0.492 5.412 91 91 A 13 MET H A 10 CYS HA 1.0 0.526 5.786 92 92 B 63 MET H B 60 CYS HA 1.0 0.526 5.786 93 93 A 8 PHE H A 6 LEU HA 1.0 0.471 5.181 94 94 B 58 PHE H B 56 LEU HA 1.0 0.471 5.181 95 95 A 13 MET HGx A 13 MET HA 1.0 0.396 4.356 96 96 B 63 MET HGx B 63 MET HA 1.0 0.396 4.356 97 97 A 12 VAL HG21 A 13 MET HA 1.0 0.422 4.642 98 98 B 62 VAL HG21 B 63 MET HA 1.0 0.422 4.642 99 99 A 6 LEU H A 6 LEU HDy% 1.0 0.418 4.598 100 100 B 56 LEU H B 56 LEU HDy% 1.0 0.418 4.598 101 101 A 6 LEU H A 5 ASP HBy 1.0 0.310 3.410 102 102 B 56 LEU H B 55 ASP HBy 1.0 0.310 3.410 103 103 A 6 LEU H A 6 LEU HBy 1.0 0.284 3.124 104 104 B 56 LEU H B 56 LEU HBy 1.0 0.284 3.124 105 105 A 3 SER HA A 4 ASP H 1.0 0.329 3.619 106 106 B 53 SER HA B 54 ASP H 1.0 0.329 3.619 107 107 A 6 LEU HA A 6 LEU HDy% 1.0 0.361 3.971 108 108 B 56 LEU HA B 56 LEU HDy% 1.0 0.361 3.971 109 109 A 6 LEU HA A 6 LEU HDx% 1.0 0.336 3.696 110 110 B 56 LEU HA B 56 LEU HDx% 1.0 0.336 3.696 111 111 A 6 LEU H A 6 LEU HDx% 1.0 0.450 4.950 112 112 B 56 LEU H B 56 LEU HDx% 1.0 0.450 4.950 113 113 A 9 TRP H A 6 LEU HDx% 1.0 0.500 5.500 114 114 B 59 TRP H B 56 LEU HDx% 1.0 0.500 5.500 115 115 B 59 TRP HE3 A 6 LEU HDy% 1.0 0.462 5.082 116 116 A 9 TRP HE3 B 56 LEU HDy% 1.0 0.462 5.082 117 117 A 6 LEU H A 7 GLU H 1.0 0.390 4.290 118 118 B 56 LEU H B 57 GLU H 1.0 0.390 4.290 119 119 A 10 CYS H A 11 HIS H 1.0 0.387 4.257 120 120 B 60 CYS H B 61 HIS H 1.0 0.387 4.257 121 121 B 56 LEU HDx% A 9 TRP HE1 1.0 0.536 5.896 122 122 A 6 LEU HDx% B 59 TRP HE1 1.0 0.536 5.896 123 123 A 10 CYS H A 6 LEU HDy% 1.0 0.502 5.522 124 124 B 60 CYS H B 56 LEU HDy% 1.0 0.502 5.522 125 125 A 10 CYS H A 6 LEU HDx% 1.0 0.501 5.511 126 126 B 60 CYS H B 56 LEU HDx% 1.0 0.501 5.511 127 127 A 10 CYS H A 6 LEU HBx 1.0 0.494 5.434 128 128 B 60 CYS H B 56 LEU HBx 1.0 0.494 5.434 129 129 B 57 GLU H B 57 GLU HBx 1.0 0.370 4.070 130 130 A 7 GLU H A 7 GLU HGy 1.0 0.426 4.686 131 131 B 57 GLU H B 57 GLU HGy 1.0 0.426 4.686 132 132 B 59 TRP HE1 A 6 LEU HG 1.0 0.511 5.621 133 133 A 9 TRP HE1 B 56 LEU HG 1.0 0.511 5.621 134 134 A 9 TRP H A 8 PHE HD% 1.0 0.420 4.620 135 135 B 59 TRP H B 58 PHE HD% 1.0 0.420 4.620 136 136 A 9 TRP H A 9 TRP HD1 1.0 0.432 4.752 137 137 B 59 TRP H B 59 TRP HD1 1.0 0.432 4.752 138 138 A 12 VAL HG11 A 9 TRP HA 1.0 0.372 4.092 139 139 B 62 VAL HG11 B 59 TRP HA 1.0 0.372 4.092 140 140 A 14 TYR HE% B 56 LEU H 1.0 0.490 5.390 141 141 B 64 TYR HE% A 6 LEU H 1.0 0.490 5.390 142 142 A 6 LEU H A 7 GLU HGy 1.0 0.550 6.050 143 143 B 56 LEU H B 57 GLU HGy 1.0 0.550 6.050 144 144 A 9 TRP H A 7 GLU HGy 1.0 0.550 6.050 145 145 B 59 TRP H B 57 GLU HGy 1.0 0.550 6.050 146 146 A 8 PHE H A 5 ASP HBy 1.0 0.437 4.807 147 147 B 58 PHE H B 55 ASP HBy 1.0 0.437 4.807 148 148 B 59 TRP HE3 A 6 LEU HBy 1.0 0.542 5.962 149 149 A 9 TRP HE3 B 56 LEU HBy 1.0 0.542 5.962 150 150 A 14 TYR H A 13 MET HBx 1.0 0.415 4.565 151 151 B 64 TYR H B 63 MET HBx 1.0 0.415 4.565 152 152 A 14 TYR H A 13 MET HBy 1.0 0.415 4.565 153 153 B 64 TYR H B 63 MET HBy 1.0 0.415 4.565 154 154 A 9 TRP HE3 B 56 LEU HDx% 1.0 0.428 4.708 155 155 B 59 TRP HE3 A 6 LEU HDx% 1.0 0.428 4.708 156 156 A 9 TRP HE3 A 12 VAL HG11 1.0 0.447 4.917 157 157 B 59 TRP HE3 B 62 VAL HG11 1.0 0.447 4.917 158 158 A 9 TRP HD1 B 56 LEU HDy% 1.0 0.487 5.357 159 159 B 59 TRP HD1 A 6 LEU HDy% 1.0 0.487 5.357 160 160 B 56 LEU HDy% A 9 TRP HZ3 1.0 0.515 5.665 161 161 A 6 LEU HDy% B 59 TRP HZ3 1.0 0.515 5.665 162 162 A 9 TRP HE3 A 13 MET HGy 1.0 0.465 5.115 163 163 B 59 TRP HE3 B 63 MET HGy 1.0 0.465 5.115 164 164 A 13 MET HGy A 9 TRP HZ2 1.0 0.473 5.203 165 165 B 63 MET HGy B 59 TRP HZ2 1.0 0.473 5.203 166 166 B 56 LEU HDy% A 9 TRP HH2 1.0 0.435 4.785 167 167 A 6 LEU HDy% B 59 TRP HH2 1.0 0.435 4.785 168 168 A 13 MET HGy A 9 TRP HZ3 1.0 0.467 5.137 169 169 B 63 MET HGy B 59 TRP HZ3 1.0 0.467 5.137 170 170 B 56 LEU HBy A 9 TRP HZ3 1.0 0.440 4.840 171 171 A 6 LEU HBy B 59 TRP HZ3 1.0 0.440 4.840 172 172 B 56 LEU HBx A 9 TRP HZ3 1.0 0.471 5.181 173 173 A 6 LEU HBx B 59 TRP HZ3 1.0 0.471 5.181 174 174 B 56 LEU HG A 9 TRP HZ3 1.0 0.416 4.576 175 175 A 6 LEU HG B 59 TRP HZ3 1.0 0.416 4.576 176 176 A 13 MET HGx A 9 TRP HZ3 1.0 0.453 4.983 177 177 B 63 MET HGx B 59 TRP HZ3 1.0 0.453 4.983 178 178 B 56 LEU HBy A 9 TRP HZ2 1.0 0.550 6.050 179 179 A 6 LEU HBy B 59 TRP HZ2 1.0 0.550 6.050 180 180 B 56 LEU HG A 9 TRP HZ2 1.0 0.426 4.686 181 181 A 6 LEU HG B 59 TRP HZ2 1.0 0.426 4.686 182 182 A 13 MET HGx A 9 TRP HZ2 1.0 0.550 6.050 183 183 B 63 MET HGx B 59 TRP HZ2 1.0 0.550 6.050 184 184 A 9 TRP HE3 B 56 LEU HBx 1.0 0.457 5.027 185 185 B 59 TRP HE3 A 6 LEU HBx 1.0 0.457 5.027 186 186 A 9 TRP HE3 A 13 MET HGx 1.0 0.415 4.565 187 187 B 59 TRP HE3 B 63 MET HGx 1.0 0.415 4.565 188 188 B 56 LEU HG A 9 TRP HH2 1.0 0.461 5.071 189 189 A 6 LEU HG B 59 TRP HH2 1.0 0.461 5.071 190 190 A 14 TYR HE% B 56 LEU HDx% 1.0 0.387 4.257 191 191 B 64 TYR HE% A 6 LEU HDx% 1.0 0.387 4.257 192 192 A 14 TYR HE% A 13 MET HGy 1.0 0.490 5.390 193 193 B 64 TYR HE% B 63 MET HGy 1.0 0.490 5.390 194 194 A 14 TYR HE% B 60 CYS HBx 1.0 0.451 4.961 195 195 B 64 TYR HE% A 10 CYS HBx 1.0 0.451 4.961 196 196 A 14 TYR HD% B 60 CYS HBx 1.0 0.399 4.389 197 197 B 64 TYR HD% A 10 CYS HBx 1.0 0.399 4.389 198 198 A 14 TYR HD% B 60 CYS HBy 1.0 0.399 4.389 199 199 B 64 TYR HD% A 10 CYS HBy 1.0 0.399 4.389 200 200 A 14 TYR H A 14 TYR HBx 1.0 0.388 4.268 201 201 B 64 TYR H B 64 TYR HBx 1.0 0.388 4.268 202 202 A 9 TRP HE3 A 10 CYS HBy 1.0 0.550 6.050 203 203 B 59 TRP HE3 B 60 CYS HBy 1.0 0.550 6.050 204 204 A 9 TRP HE3 B 60 CYS HBy 1.0 0.550 6.050 205 205 B 59 TRP HE3 A 10 CYS HBy 1.0 0.550 6.050 206 206 A 8 PHE H A 5 ASP HBx 1.0 0.346 3.806 207 207 B 58 PHE H B 55 ASP HBx 1.0 0.346 3.806 208 208 A 13 MET HGx A 14 TYR H 1.0 0.468 5.148 209 209 B 63 MET HGx B 64 TYR H 1.0 0.468 5.148 210 210 A 8 PHE HD% A 7 GLU HGy 1.0 0.504 5.544 211 211 B 58 PHE HD% B 57 GLU HGy 1.0 0.504 5.544 212 212 A 9 TRP HBy A 8 PHE HD% 1.0 0.550 6.050 213 213 B 59 TRP HBy B 58 PHE HD% 1.0 0.550 6.050 214 214 A 9 TRP HBx A 8 PHE HD% 1.0 0.479 5.269 215 215 B 59 TRP HBx B 58 PHE HD% 1.0 0.479 5.269 216 216 A 14 TYR HE% A 10 CYS HA 1.0 0.464 5.104 217 217 B 64 TYR HE% B 60 CYS HA 1.0 0.464 5.104 218 218 A 9 TRP HE3 A 10 CYS HA 1.0 0.396 4.356 219 219 B 59 TRP HE3 B 60 CYS HA 1.0 0.396 4.356 220 220 A 14 TYR HD% A 10 CYS HA 1.0 0.338 3.718 221 221 B 64 TYR HD% B 60 CYS HA 1.0 0.338 3.718 222 222 A 12 VAL HG11 A 9 TRP HZ3 1.0 0.526 5.786 223 223 B 62 VAL HG11 B 59 TRP HZ3 1.0 0.526 5.786 224 224 A 12 VAL HG11 A 9 TRP HH2 1.0 0.550 6.050 225 225 B 62 VAL HG11 B 59 TRP HH2 1.0 0.550 6.050 226 226 A 9 TRP HD1 A 8 PHE HBx 1.0 0.533 5.863 227 227 B 59 TRP HD1 B 58 PHE HBx 1.0 0.533 5.863 228 228 A 8 PHE HE% A 9 TRP HA 1.0 0.494 5.434 229 229 B 58 PHE HE% B 59 TRP HA 1.0 0.494 5.434 230 230 A 14 TYR HE% A 9 TRP HZ3 1.0 0.397 4.367 231 231 B 64 TYR HE% B 59 TRP HZ3 1.0 0.397 4.367 232 232 A 14 TYR HE% A 9 TRP HH2 1.0 0.393 4.323 233 233 B 64 TYR HE% B 59 TRP HH2 1.0 0.393 4.323 234 234 A 12 VAL H A 11 HIS H 1.0 0.358 3.938 235 235 B 62 VAL H B 61 HIS H 1.0 0.358 3.938 236 236 A 8 PHE HD% A 8 PHE H 1.0 0.438 4.818 237 237 B 58 PHE HD% B 58 PHE H 1.0 0.438 4.818 238 238 A 12 VAL H A 8 PHE HD% 1.0 0.513 5.643 239 239 B 62 VAL H B 58 PHE HD% 1.0 0.513 5.643 240 240 A 13 MET H A 14 TYR HD% 1.0 0.477 5.247 241 241 B 63 MET H B 64 TYR HD% 1.0 0.477 5.247 242 242 A 8 PHE HZ A 8 PHE HD% 1.0 0.395 4.345 243 243 B 58 PHE HZ B 58 PHE HD% 1.0 0.395 4.345 244 244 A 9 TRP HE3 A 14 TYR HE% 1.0 0.522 5.742 245 245 B 59 TRP HE3 B 64 TYR HE% 1.0 0.522 5.742 246 246 A 14 TYR HE% A 14 TYR H 1.0 0.530 5.830 247 247 B 64 TYR HE% B 64 TYR H 1.0 0.530 5.830 248 248 A 9 TRP H A 8 PHE HE% 1.0 0.550 6.050 249 249 B 59 TRP H B 58 PHE HE% 1.0 0.550 6.050 250 250 B 56 LEU HDy% A 9 TRP HZ2 1.0 0.488 5.368 251 251 A 6 LEU HDy% B 59 TRP HZ2 1.0 0.488 5.368 252 252 B 56 LEU HDx% A 9 TRP HZ2 1.0 0.523 5.753 253 253 A 6 LEU HDx% B 59 TRP HZ2 1.0 0.523 5.753 254 254 A 14 TYR H A 10 CYS HA 1.0 0.447 4.917 255 255 B 64 TYR H B 60 CYS HA 1.0 0.447 4.917 256 256 A 14 TYR H A 14 TYR HBy 1.0 0.388 4.268 257 257 B 64 TYR H B 64 TYR HBy 1.0 0.388 4.268 258 258 A 14 TYR H A 11 HIS HA 1.0 0.453 4.983 259 259 B 64 TYR H B 61 HIS HA 1.0 0.453 4.983 260 260 A 12 VAL HG11 A 11 HIS H 1.0 0.520 5.720 261 261 B 62 VAL HG11 B 61 HIS H 1.0 0.520 5.720 262 262 A 9 TRP HE3 A 10 CYS HBx 1.0 0.550 6.050 263 263 B 59 TRP HE3 B 60 CYS HBx 1.0 0.550 6.050 264 264 A 9 TRP HE3 B 60 CYS HBx 1.0 0.550 6.050 265 265 B 59 TRP HE3 A 10 CYS HBx 1.0 0.550 6.050 266 266 A 6 LEU HDx% A 7 GLU H 1.0 0.485 5.335 267 267 B 56 LEU HDx% B 57 GLU H 1.0 0.485 5.335 268 268 B 57 GLU HBx B 57 GLU HGy 1.0 0.271 2.981 269 269 A 9 TRP HBy A 6 LEU HDy% 1.0 0.479 5.269 270 270 B 59 TRP HBy B 56 LEU HDy% 1.0 0.479 5.269 271 271 B 59 TRP HBy A 6 LEU HDy% 1.0 0.533 5.863 272 272 A 9 TRP HBy B 56 LEU HDy% 1.0 0.533 5.863 273 273 A 9 TRP HBy A 6 LEU HDx% 1.0 0.415 4.565 274 274 B 59 TRP HBy B 56 LEU HDx% 1.0 0.415 4.565 275 275 B 59 TRP HBx A 6 LEU HDx% 1.0 0.501 5.511 276 276 A 9 TRP HBx B 56 LEU HDx% 1.0 0.501 5.511 277 277 A 12 VAL HG21 A 9 TRP HA 1.0 0.512 5.632 278 278 B 62 VAL HG21 B 59 TRP HA 1.0 0.512 5.632 279 279 A 2 PRO HDx A 1 LEU HBx 1.0 0.514 5.654 280 280 B 52 PRO HDx B 51 LEU HBx 1.0 0.514 5.654 281 281 A 1 LEU HBx A 2 PRO HDy 1.0 0.514 5.654 282 282 B 51 LEU HBx B 52 PRO HDy 1.0 0.514 5.654 283 283 A 9 TRP HBy A 6 LEU HA 1.0 0.358 3.938 284 284 B 59 TRP HBy B 56 LEU HA 1.0 0.358 3.938 285 285 A 9 TRP HBx A 6 LEU HA 1.0 0.363 3.993 286 286 B 59 TRP HBx B 56 LEU HA 1.0 0.363 3.993 287 287 A 1 LEU HA A 2 PRO HDx 1.0 0.359 3.949 288 288 B 51 LEU HA B 52 PRO HDx 1.0 0.359 3.949 289 289 A 2 PRO HDx A 1 LEU HBy 1.0 0.514 5.654 290 290 B 52 PRO HDx B 51 LEU HBy 1.0 0.514 5.654 291 291 A 9 TRP HBx A 6 LEU HDy% 1.0 0.471 5.181 292 292 B 59 TRP HBx B 56 LEU HDy% 1.0 0.471 5.181 293 293 A 9 TRP HBx A 6 LEU HDx% 1.0 0.439 4.829 294 294 B 59 TRP HBx B 56 LEU HDx% 1.0 0.439 4.829 295 295 B 64 TYR HD% A 6 LEU HG 1.0 0.430 4.730 296 296 A 14 TYR HD% B 56 LEU HG 1.0 0.430 4.730 297 297 A 6 LEU HDy% A 6 LEU HBy 1.0 0.322 3.542 298 298 B 56 LEU HDy% B 56 LEU HBy 1.0 0.322 3.542 299 299 A 6 LEU HDx% A 6 LEU HBx 1.0 0.329 3.619 300 300 B 56 LEU HDx% B 56 LEU HBx 1.0 0.329 3.619 301 301 A 1 LEU HBy A 2 PRO HDy 1.0 0.514 5.654 302 302 B 51 LEU HBy B 52 PRO HDy 1.0 0.514 5.654 303 303 A 14 TYR HE% B 56 LEU HDy% 1.0 0.440 4.840 304 304 B 64 TYR HE% A 6 LEU HDy% 1.0 0.440 4.840 305 305 A 10 CYS H A 6 LEU HA 1.0 0.450 4.950 306 306 B 60 CYS H B 56 LEU HA 1.0 0.450 4.950 307 307 A 10 CYS H A 8 PHE HA 1.0 0.516 5.676 308 308 B 60 CYS H B 58 PHE HA 1.0 0.516 5.676 309 309 A 9 TRP H A 12 VAL HG11 1.0 0.550 6.050 310 310 B 59 TRP H B 62 VAL HG11 1.0 0.550 6.050 311 311 A 12 VAL HG11 A 13 MET HA 1.0 0.511 5.621 312 312 B 62 VAL HG11 B 63 MET HA 1.0 0.511 5.621 313 313 A 12 VAL H A 12 VAL HB 1.0 0.331 3.641 314 314 B 62 VAL H B 62 VAL HB 1.0 0.331 3.641 315 315 A 13 MET HGx A 13 MET H 1.0 0.344 3.784 316 316 B 63 MET HGx B 63 MET H 1.0 0.344 3.784 317 317 A 12 VAL HG11 A 12 VAL H 1.0 0.336 3.696 318 318 B 62 VAL HG11 B 62 VAL H 1.0 0.336 3.696 319 319 A 12 VAL HG11 A 13 MET H 1.0 0.360 3.960 320 320 B 62 VAL HG11 B 63 MET H 1.0 0.360 3.960 321 321 A 9 TRP HA A 11 HIS H 1.0 0.539 5.929 322 322 B 59 TRP HA B 61 HIS H 1.0 0.539 5.929 323 323 A 9 TRP HBy A 8 PHE H 1.0 0.550 6.050 324 324 B 59 TRP HBy B 58 PHE H 1.0 0.550 6.050 325 325 A 9 TRP HBy A 11 HIS H 1.0 0.550 6.050 326 326 B 59 TRP HBy B 61 HIS H 1.0 0.550 6.050 327 327 A 9 TRP HBx A 8 PHE H 1.0 0.500 5.500 328 328 B 59 TRP HBx B 58 PHE H 1.0 0.500 5.500 329 329 A 12 VAL HA A 14 TYR H 1.0 0.528 5.808 330 330 B 62 VAL HA B 64 TYR H 1.0 0.528 5.808 331 331 A 14 TYR HE% A 9 TRP HZ2 1.0 0.550 6.050 332 332 B 64 TYR HE% B 59 TRP HZ2 1.0 0.550 6.050 333 333 A 9 TRP HE3 B 56 LEU HG 1.0 0.483 5.313 334 334 B 59 TRP HE3 A 6 LEU HG 1.0 0.483 5.313 335 335 A 10 CYS HA A 9 TRP HZ3 1.0 0.491 5.401 336 336 B 60 CYS HA B 59 TRP HZ3 1.0 0.491 5.401 337 337 A 10 CYS H A 9 TRP HD1 1.0 0.550 6.050 338 338 B 60 CYS H B 59 TRP HD1 1.0 0.550 6.050 339 339 A 10 CYS H A 14 TYR HD% 1.0 0.526 5.786 340 340 B 60 CYS H B 64 TYR HD% 1.0 0.526 5.786 341 341 A 14 TYR HD% A 11 HIS HA 1.0 0.550 6.050 342 342 B 64 TYR HD% B 61 HIS HA 1.0 0.550 6.050 343 343 A 14 TYR HD% A 13 MET HA 1.0 0.540 5.940 344 344 B 64 TYR HD% B 63 MET HA 1.0 0.540 5.940 345 345 B 64 TYR HD% A 6 LEU HDx% 1.0 0.444 4.884 346 346 A 14 TYR HD% B 56 LEU HDx% 1.0 0.444 4.884 347 347 A 6 LEU HBy B 59 TRP HH2 1.0 0.447 4.917 348 348 B 56 LEU HBy A 9 TRP HH2 1.0 0.447 4.917 349 349 A 10 CYS H B 64 TYR HE% 1.0 0.550 6.050 350 350 B 60 CYS H A 14 TYR HE% 1.0 0.550 6.050 351 351 B 58 PHE HD% B 57 GLU HBx 1.0 0.550 6.050 352 352 A 9 TRP HBx A 6 LEU HBx 1.0 0.534 5.874 353 353 B 59 TRP HBx B 56 LEU HBx 1.0 0.534 5.874 354 354 A 9 TRP HBy A 6 LEU HBx 1.0 0.497 5.467 355 355 B 59 TRP HBy B 56 LEU HBx 1.0 0.497 5.467 356 356 A 8 PHE HA A 8 PHE HBy 1.0 0.300 3.300 357 357 B 58 PHE HA B 58 PHE HBy 1.0 0.300 3.300 358 358 A 14 TYR HE% B 60 CYS HBy 1.0 0.451 4.961 359 359 B 64 TYR HE% A 10 CYS HBy 1.0 0.451 4.961 360 360 A 13 MET HGx A 14 TYR HD% 1.0 0.497 5.467 361 361 B 63 MET HGx B 64 TYR HD% 1.0 0.497 5.467 362 362 A 14 TYR HD% A 13 MET HGy 1.0 0.530 5.830 363 363 B 64 TYR HD% B 63 MET HGy 1.0 0.530 5.830 364 364 B 64 TYR HD% A 6 LEU HBx 1.0 0.386 4.246 365 365 A 14 TYR HD% B 56 LEU HBx 1.0 0.386 4.246 366 366 A 14 TYR HE% B 56 LEU HBx 1.0 0.356 3.916 367 367 B 64 TYR HE% A 6 LEU HBx 1.0 0.356 3.916 368 368 A 14 TYR HE% B 56 LEU HG 1.0 0.350 3.850 369 369 B 64 TYR HE% A 6 LEU HG 1.0 0.350 3.850 370 370 B 59 TRP HBy A 6 LEU HDx% 1.0 0.400 4.400 371 371 A 9 TRP HBy B 56 LEU HDx% 1.0 0.400 4.400 372 372 A 14 TYR HE% B 56 LEU HA 1.0 0.518 5.698 373 373 B 64 TYR HE% A 6 LEU HA 1.0 0.518 5.698 374 374 A 1 LEU HA A 2 PRO HDy 1.0 0.301 3.311 375 374 A 1 LEU HA A 2 PRO HDx 1.0 0.301 3.311 376 375 A 1 LEU HBx A 2 PRO HDy 1.0 0.351 3.861 377 375 A 1 LEU HBy A 2 PRO HDy 1.0 0.351 3.861 378 375 A 2 PRO HDx A 1 LEU HBy 1.0 0.351 3.861 379 375 A 2 PRO HDx A 1 LEU HBx 1.0 0.351 3.861 380 376 A 4 ASP H A 4 ASP HBx 1.0 0.354 3.894 381 376 A 4 ASP H A 4 ASP HBy 1.0 0.354 3.894 382 377 A 6 LEU HBx A 10 CYS HBx 1.0 0.378 4.158 383 377 A 6 LEU HBx A 10 CYS HBy 1.0 0.378 4.158 384 378 A 7 GLU H A 7 GLU HBx 1.0 0.347 3.817 385 378 A 7 GLU H A 7 GLU HBy 1.0 0.347 3.817 386 379 A 7 GLU HGy A 7 GLU HBx 1.0 0.252 2.772 387 379 A 7 GLU HGy A 7 GLU HBy 1.0 0.252 2.772 388 380 A 8 PHE HD% A 7 GLU HBx 1.0 0.534 5.874 389 380 A 8 PHE HD% A 7 GLU HBy 1.0 0.534 5.874 390 381 A 9 TRP HE3 A 10 CYS HBx 1.0 0.478 5.258 391 381 A 9 TRP HE3 A 10 CYS HBy 1.0 0.478 5.258 392 382 A 9 TRP HZ3 A 13 MET HBx 1.0 0.413 4.543 393 382 A 9 TRP HZ3 A 13 MET HBy 1.0 0.413 4.543 394 383 A 9 TRP HZ3 B 60 CYS HBx 1.0 0.534 5.874 395 383 A 9 TRP HZ3 B 60 CYS HBy 1.0 0.534 5.874 396 384 A 9 TRP HH2 A 13 MET HBx 1.0 0.435 4.785 397 384 A 9 TRP HH2 A 13 MET HBy 1.0 0.435 4.785 398 385 A 10 CYS H A 10 CYS HBx 1.0 0.306 3.366 399 385 A 10 CYS H A 10 CYS HBy 1.0 0.306 3.366 400 386 A 11 HIS H A 10 CYS HBx 1.0 0.435 4.785 401 386 A 11 HIS H A 10 CYS HBy 1.0 0.435 4.785 402 387 B 59 TRP HZ3 A 10 CYS HBx 1.0 0.534 5.874 403 387 B 59 TRP HZ3 A 10 CYS HBy 1.0 0.534 5.874 404 388 B 64 TYR HE% A 10 CYS HBx 1.0 0.365 4.015 405 388 B 64 TYR HE% A 10 CYS HBy 1.0 0.365 4.015 406 389 A 12 VAL H A 11 HIS HBx 1.0 0.339 3.729 407 389 A 12 VAL H A 11 HIS HBy 1.0 0.339 3.729 408 390 A 12 VAL HA A 11 HIS HBx 1.0 0.482 5.302 409 390 A 12 VAL HA A 11 HIS HBy 1.0 0.482 5.302 410 391 A 12 VAL HG11 A 11 HIS HBx 1.0 0.414 4.554 411 391 A 12 VAL HG11 A 11 HIS HBy 1.0 0.414 4.554 412 392 A 12 VAL HG21 A 11 HIS HBx 1.0 0.534 5.874 413 392 A 12 VAL HG21 A 11 HIS HBy 1.0 0.534 5.874 414 393 A 13 MET H A 13 MET HBx 1.0 0.318 3.498 415 393 A 13 MET H A 13 MET HBy 1.0 0.318 3.498 416 394 A 14 TYR H A 13 MET HBx 1.0 0.358 3.938 417 394 A 14 TYR H A 13 MET HBy 1.0 0.358 3.938 418 395 A 14 TYR HD% A 13 MET HBx 1.0 0.380 4.180 419 395 A 14 TYR HD% A 13 MET HBy 1.0 0.380 4.180 420 396 A 14 TYR HE% A 13 MET HBx 1.0 0.426 4.686 421 396 A 14 TYR HE% A 13 MET HBy 1.0 0.426 4.686 422 397 A 14 TYR H A 14 TYR HBx 1.0 0.329 3.619 423 397 A 14 TYR H A 14 TYR HBy 1.0 0.329 3.619 424 398 A 14 TYR HE% B 60 CYS HBx 1.0 0.365 4.015 425 398 A 14 TYR HE% B 60 CYS HBy 1.0 0.365 4.015 426 399 B 51 LEU HA B 52 PRO HDy 1.0 0.301 3.311 427 399 B 51 LEU HA B 52 PRO HDx 1.0 0.301 3.311 428 400 B 51 LEU HBy B 52 PRO HDy 1.0 0.351 3.861 429 400 B 51 LEU HBx B 52 PRO HDy 1.0 0.351 3.861 430 400 B 52 PRO HDx B 51 LEU HBy 1.0 0.351 3.861 431 400 B 52 PRO HDx B 51 LEU HBx 1.0 0.351 3.861 432 401 B 54 ASP H B 54 ASP HBx 1.0 0.354 3.894 433 401 B 54 ASP H B 54 ASP HBy 1.0 0.354 3.894 434 402 B 56 LEU HBx B 60 CYS HBx 1.0 0.378 4.158 435 402 B 56 LEU HBx B 60 CYS HBy 1.0 0.378 4.158 436 403 B 59 TRP HE3 B 60 CYS HBx 1.0 0.478 5.258 437 403 B 59 TRP HE3 B 60 CYS HBy 1.0 0.478 5.258 438 404 B 59 TRP HZ3 B 63 MET HBx 1.0 0.413 4.543 439 404 B 59 TRP HZ3 B 63 MET HBy 1.0 0.413 4.543 440 405 B 59 TRP HH2 B 63 MET HBx 1.0 0.435 4.785 441 405 B 59 TRP HH2 B 63 MET HBy 1.0 0.435 4.785 442 406 B 60 CYS H B 60 CYS HBx 1.0 0.306 3.366 443 406 B 60 CYS H B 60 CYS HBy 1.0 0.306 3.366 444 407 B 61 HIS H B 60 CYS HBx 1.0 0.435 4.785 445 407 B 61 HIS H B 60 CYS HBy 1.0 0.435 4.785 446 408 B 62 VAL H B 61 HIS HBx 1.0 0.339 3.729 447 408 B 62 VAL H B 61 HIS HBy 1.0 0.339 3.729 448 409 B 62 VAL HA B 61 HIS HBx 1.0 0.482 5.302 449 409 B 62 VAL HA B 61 HIS HBy 1.0 0.482 5.302 450 410 B 62 VAL HG11 B 61 HIS HBx 1.0 0.414 4.554 451 410 B 62 VAL HG11 B 61 HIS HBy 1.0 0.414 4.554 452 411 B 62 VAL HG21 B 61 HIS HBx 1.0 0.534 5.874 453 411 B 62 VAL HG21 B 61 HIS HBy 1.0 0.534 5.874 454 412 B 63 MET H B 63 MET HBx 1.0 0.318 3.498 455 412 B 63 MET H B 63 MET HBy 1.0 0.318 3.498 456 413 B 64 TYR H B 63 MET HBx 1.0 0.358 3.938 457 413 B 64 TYR H B 63 MET HBy 1.0 0.358 3.938 458 414 B 64 TYR HD% B 63 MET HBx 1.0 0.380 4.180 459 414 B 64 TYR HD% B 63 MET HBy 1.0 0.380 4.180 460 415 B 64 TYR HE% B 63 MET HBx 1.0 0.426 4.686 461 415 B 64 TYR HE% B 63 MET HBy 1.0 0.426 4.686 462 416 B 64 TYR H B 64 TYR HBx 1.0 0.329 3.619 463 416 B 64 TYR H B 64 TYR HBy 1.0 0.329 3.619 stop_ save_