data_nef_c5767_1orl 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 1ORL stop_ save_ save_system_Cue2 _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode system_Cue2 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 3 CYS SG 1 40 CYS SG 1 4 CYS SG 1 32 CYS SG 1 16 CYS SG 1 26 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 LYS start . . 2 A 2 SER middle . . 3 A 3 CYS middle -HG . 4 A 4 CYS middle -HG . 5 A 5 PRO middle . false 6 A 6 ASN middle . . 7 A 7 THR middle . . 8 A 8 THR middle . . 9 A 9 GLY middle . false 10 A 10 ARG middle . . 11 A 11 ASN middle . . 12 A 12 ILE middle . . 13 A 13 TYR middle . . 14 A 14 ASN middle . . 15 A 15 THR middle . . 16 A 16 CYS middle -HG . 17 A 17 ARG middle . . 18 A 18 PHE middle . . 19 A 19 ALA middle . . 20 A 20 GLY middle . false 21 A 21 GLY middle . false 22 A 22 SER middle . . 23 A 23 ARG middle . . 24 A 24 GLU middle . . 25 A 25 ARG middle . . 26 A 26 CYS middle -HG . 27 A 27 ALA middle . . 28 A 28 LYS middle . . 29 A 29 LEU middle . . 30 A 30 SER middle . . 31 A 31 GLY middle . false 32 A 32 CYS middle -HG . 33 A 33 LYS middle . . 34 A 34 ILE middle . . 35 A 35 ILE middle . . 36 A 36 SER middle . . 37 A 37 ALA middle . . 38 A 38 SER middle . . 39 A 39 THR middle . . 40 A 40 CYS middle -HG . 41 A 41 PRO middle . false 42 A 42 SER middle . . 43 A 43 ASP middle . . 44 A 44 TYR middle . . 45 A 45 PRO middle . false 46 A 46 LYS end . . stop_ save_ save_chemical_shift_set_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode chemical_shift_set_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 LYS HA H 1 4.178 0.000 A 1 LYS HBx H 1 1.832 0.010 A 1 LYS HBy H 1 1.937 0.003 A 1 LYS HDx H 1 1.524 0.002 A 1 LYS HDy H 1 1.575 0.001 A 1 LYS HEx H 1 3.069 0.002 A 1 LYS HGx H 1 1.308 0.002 A 1 LYS HGy H 1 1.403 0.001 A 1 LYS HZ1 H 1 7.555 0.000 A 1 LYS HZ2 H 1 7.555 0.000 A 1 LYS HZ3 H 1 7.555 0.000 A 2 SER H H 1 8.911 0.001 A 2 SER HA H 1 4.982 0.000 A 2 SER HBx H 1 2.836 0.000 A 2 SER HBy H 1 3.772 0.000 A 3 CYS H H 1 9.085 0.000 A 3 CYS HA H 1 5.011 0.000 A 3 CYS HBx H 1 2.244 0.001 A 3 CYS HBy H 1 4.418 0.000 A 4 CYS H H 1 9.419 0.000 A 4 CYS HA H 1 5.272 0.001 A 4 CYS HBx H 1 2.672 0.001 A 4 CYS HBy H 1 2.701 0.001 A 5 PRO HA H 1 4.418 0.000 A 5 PRO HBy H 1 2.068 0.000 A 5 PRO HBx H 1 2.017 0.000 A 5 PRO HDx H 1 3.810 0.000 A 5 PRO HDy H 1 3.985 0.000 A 5 PRO HGx H 1 2.260 0.000 A 6 ASN H H 1 6.941 0.000 A 6 ASN HA H 1 4.546 0.000 A 6 ASN HBx H 1 3.303 0.001 A 6 ASN HD2y H 1 7.867 0.000 A 6 ASN HD2x H 1 6.990 0.002 A 7 THR H H 1 9.031 0.000 A 7 THR HA H 1 3.894 0.000 A 7 THR HB H 1 4.173 0.000 A 7 THR HG2% H 1 1.300 0.000 A 8 THR H H 1 8.204 0.000 A 8 THR HA H 1 3.984 0.000 A 8 THR HB H 1 4.090 0.000 A 8 THR HG2% H 1 1.293 0.000 A 9 GLY H H 1 8.668 0.000 A 9 GLY HAy H 1 4.054 0.000 A 9 GLY HAx H 1 3.585 0.000 A 10 ARG H H 1 7.676 0.000 A 10 ARG HA H 1 4.580 0.000 A 10 ARG HBx H 1 2.144 0.001 A 10 ARG HDx H 1 3.329 0.000 A 10 ARG HDy H 1 3.483 0.000 A 10 ARG HE H 1 8.806 0.000 A 10 ARG HGx H 1 1.697 0.001 A 10 ARG HGy H 1 1.925 0.000 A 11 ASN H H 1 8.459 0.000 A 11 ASN HA H 1 4.607 0.000 A 11 ASN HBx H 1 2.970 0.000 A 11 ASN HBy H 1 3.063 0.000 A 11 ASN HD2y H 1 7.685 0.000 A 11 ASN HD2x H 1 6.946 0.000 A 12 ILE H H 1 8.508 0.000 A 12 ILE HA H 1 3.688 0.000 A 12 ILE HB H 1 1.858 0.000 A 12 ILE HD1% H 1 0.923 0.003 A 12 ILE HG1x H 1 1.107 0.000 A 12 ILE HG1y H 1 1.950 0.000 A 12 ILE HG2% H 1 0.862 0.000 A 13 TYR H H 1 8.982 0.000 A 13 TYR HA H 1 3.668 0.000 A 13 TYR HBx H 1 3.130 0.000 A 13 TYR HDx H 1 6.888 0.001 A 13 TYR HEx H 1 6.830 0.001 A 14 ASN H H 1 9.011 0.000 A 14 ASN HA H 1 4.191 0.000 A 14 ASN HBx H 1 2.743 0.000 A 14 ASN HBy H 1 3.084 0.000 A 14 ASN HD2x H 1 6.975 0.000 A 14 ASN HD2y H 1 7.792 0.000 A 15 THR H H 1 8.362 0.000 A 15 THR HA H 1 3.948 0.000 A 15 THR HB H 1 4.245 0.000 A 15 THR HG2% H 1 1.282 0.000 A 16 CYS H H 1 8.043 0.000 A 16 CYS HA H 1 4.204 0.000 A 16 CYS HBx H 1 3.017 0.000 A 16 CYS HBy H 1 3.285 0.001 A 17 ARG H H 1 8.573 0.000 A 17 ARG HA H 1 4.011 0.000 A 17 ARG HBx H 1 1.631 0.000 A 17 ARG HBy H 1 1.786 0.000 A 17 ARG HDx H 1 2.472 0.003 A 17 ARG HDy H 1 3.026 0.000 A 17 ARG HE H 1 7.233 0.000 A 17 ARG HGx H 1 0.892 0.000 A 17 ARG HGy H 1 1.175 0.000 A 17 ARG HH1x H 1 6.596 0.001 A 17 ARG HH1y H 1 7.042 0.000 A 18 PHE H H 1 8.718 0.000 A 18 PHE HA H 1 4.391 0.000 A 18 PHE HBx H 1 3.263 0.000 A 18 PHE HDx H 1 7.290 0.000 A 18 PHE HEx H 1 7.335 0.000 A 19 ALA H H 1 7.423 0.000 A 19 ALA HA H 1 4.379 0.000 A 19 ALA HB% H 1 1.569 0.000 A 20 GLY H H 1 7.800 0.000 A 20 GLY HAy H 1 4.365 0.000 A 20 GLY HAx H 1 3.698 0.000 A 21 GLY H H 1 8.251 0.001 A 21 GLY HAy H 1 4.109 0.000 A 21 GLY HAx H 1 3.441 0.000 A 22 SER H H 1 8.568 0.000 A 22 SER HA H 1 4.345 0.000 A 22 SER HBx H 1 4.116 0.000 A 22 SER HBy H 1 4.412 0.000 A 23 ARG H H 1 9.107 0.000 A 23 ARG HA H 1 3.834 0.000 A 23 ARG HBx H 1 1.723 0.000 A 23 ARG HBy H 1 1.760 0.000 A 23 ARG HDx H 1 3.048 0.000 A 23 ARG HDy H 1 3.263 0.000 A 23 ARG HE H 1 7.738 0.000 A 23 ARG HGx H 1 1.621 0.000 A 23 ARG HGy H 1 1.869 0.000 A 24 GLU H H 1 8.686 0.000 A 24 GLU HA H 1 3.981 0.000 A 24 GLU HBx H 1 1.950 0.000 A 24 GLU HBy H 1 2.065 0.000 A 24 GLU HGx H 1 2.346 0.000 A 24 GLU HGy H 1 2.452 0.000 A 25 ARG H H 1 8.039 0.000 A 25 ARG HA H 1 4.030 0.001 A 25 ARG HBx H 1 1.827 0.000 A 25 ARG HBy H 1 1.876 0.000 A 25 ARG HDx H 1 3.141 0.000 A 25 ARG HDy H 1 3.262 0.000 A 25 ARG HE H 1 7.387 0.000 A 25 ARG HGx H 1 1.471 0.000 A 25 ARG HGy H 1 1.635 0.000 A 26 CYS H H 1 8.752 0.000 A 26 CYS HA H 1 4.654 0.000 A 26 CYS HBx H 1 2.357 0.000 A 26 CYS HBy H 1 2.706 0.000 A 27 ALA H H 1 9.376 0.000 A 27 ALA HA H 1 3.946 0.001 A 27 ALA HB% H 1 1.518 0.001 A 28 LYS H H 1 7.531 0.000 A 28 LYS HA H 1 4.095 0.000 A 28 LYS HBx H 1 2.027 0.000 A 28 LYS HBy H 1 2.047 0.001 A 28 LYS HDx H 1 1.724 0.000 A 28 LYS HEx H 1 2.999 0.000 A 28 LYS HGx H 1 1.499 0.000 A 28 LYS HGy H 1 1.582 0.000 A 29 LEU H H 1 7.909 0.000 A 29 LEU HA H 1 4.187 0.000 A 29 LEU HBx H 1 1.702 0.001 A 29 LEU HBy H 1 1.727 0.001 A 29 LEU HDx% H 1 0.875 0.000 A 29 LEU HDy% H 1 0.919 0.000 A 29 LEU HG H 1 1.683 0.000 A 30 SER H H 1 7.652 0.000 A 30 SER HA H 1 4.300 0.000 A 30 SER HBx H 1 3.764 0.000 A 30 SER HBy H 1 4.737 0.000 A 30 SER HG H 1 5.847 0.001 A 31 GLY H H 1 8.027 0.000 A 31 GLY HAy H 1 4.390 0.000 A 31 GLY HAx H 1 3.945 0.000 A 32 CYS H H 1 8.041 0.000 A 32 CYS HA H 1 4.957 0.003 A 32 CYS HBx H 1 2.383 0.001 A 32 CYS HBy H 1 2.979 0.000 A 33 LYS H H 1 8.999 0.001 A 33 LYS HA H 1 4.500 0.000 A 33 LYS HBx H 1 1.048 0.000 A 33 LYS HDx H 1 0.939 0.000 A 33 LYS HDy H 1 1.097 0.000 A 33 LYS HEx H 1 2.420 0.000 A 33 LYS HEy H 1 2.486 0.000 A 33 LYS HGx H 1 0.703 0.008 A 33 LYS HGy H 1 1.283 0.004 A 34 ILE H H 1 8.513 0.000 A 34 ILE HA H 1 4.546 0.000 A 34 ILE HB H 1 1.942 0.000 A 34 ILE HD1% H 1 0.623 0.000 A 34 ILE HG1x H 1 1.088 0.001 A 34 ILE HG1y H 1 1.326 0.001 A 34 ILE HG2% H 1 0.718 0.000 A 35 ILE H H 1 8.810 0.000 A 35 ILE HA H 1 4.681 0.000 A 35 ILE HB H 1 1.948 0.000 A 35 ILE HD1% H 1 0.711 0.000 A 35 ILE HG1x H 1 1.004 0.000 A 35 ILE HG1y H 1 1.323 0.000 A 35 ILE HG2% H 1 0.769 0.000 A 36 SER H H 1 8.768 0.000 A 36 SER HA H 1 4.594 0.000 A 36 SER HBx H 1 3.866 0.000 A 37 ALA H H 1 7.239 0.000 A 37 ALA HA H 1 4.512 0.000 A 37 ALA HB% H 1 1.527 0.000 A 38 SER H H 1 8.443 0.000 A 38 SER HA H 1 4.370 0.000 A 38 SER HBx H 1 3.930 0.000 A 38 SER HBy H 1 3.964 0.000 A 39 THR H H 1 7.245 0.000 A 39 THR HA H 1 4.452 0.001 A 39 THR HB H 1 3.938 0.000 A 39 THR HG2% H 1 1.163 0.000 A 40 CYS H H 1 8.934 0.000 A 40 CYS HA H 1 4.773 0.002 A 40 CYS HBx H 1 2.573 0.002 A 40 CYS HBy H 1 3.796 0.000 A 41 PRO HA H 1 4.662 0.000 A 41 PRO HBx H 1 2.346 0.000 A 41 PRO HBy H 1 2.387 0.000 A 41 PRO HDx H 1 3.660 0.000 A 41 PRO HDy H 1 3.801 0.000 A 41 PRO HGx H 1 2.022 0.000 A 41 PRO HGy H 1 2.185 0.000 A 42 SER H H 1 8.812 0.000 A 42 SER HA H 1 4.022 0.000 A 42 SER HBx H 1 3.909 0.000 A 43 ASP H H 1 8.735 0.000 A 43 ASP HA H 1 4.470 0.000 A 43 ASP HBx H 1 2.671 0.000 A 44 TYR H H 1 7.664 0.000 A 44 TYR HA H 1 4.356 0.000 A 44 TYR HBx H 1 2.364 0.000 A 44 TYR HBy H 1 2.452 0.000 A 44 TYR HDx H 1 6.762 0.000 A 44 TYR HEx H 1 6.878 0.000 A 45 PRO HA H 1 4.457 0.000 A 45 PRO HBx H 1 1.999 0.000 A 45 PRO HDx H 1 3.345 0.001 A 45 PRO HGx H 1 1.623 0.003 A 45 PRO HGy H 1 2.024 0.000 A 46 LYS H H 1 8.308 0.000 A 46 LYS HA H 1 4.335 0.000 A 46 LYS HBx H 1 1.153 0.000 A 46 LYS HDx H 1 1.471 0.000 A 46 LYS HDy H 1 1.600 0.000 A 46 LYS HEx H 1 2.905 0.000 A 46 LYS HEy H 1 2.976 0.000 A 46 LYS HGx H 1 1.773 0.000 A 46 LYS HZ1 H 1 7.611 0.000 A 46 LYS HZ2 H 1 7.611 0.000 A 46 LYS HZ3 H 1 7.611 0.000 stop_ save_ save_Discover_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode Discover_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 1 LYS HA A 1 LYS HGy 1.0 1.8 3.78 2 1 A 1 LYS HA A 1 LYS HGx 1.0 1.8 3.78 3 2 A 1 LYS HA A 2 SER H 1.0 1.8 2.80 4 3 A 2 SER H A 1 LYS HGy 1.0 1.8 4.30 5 4 A 1 LYS HGx A 2 SER H 1.0 1.8 4.30 6 5 A 1 LYS HGx A 1 LYS HZ% 1.0 1.8 6.44 7 6 A 2 SER H A 1 LYS HBx 1.0 1.8 4.50 8 6 A 2 SER H A 1 LYS HBy 1.0 1.8 4.50 9 7 A 39 THR HA A 1 LYS HEx 1.0 1.8 4.78 10 7 A 1 LYS HEy A 39 THR HA 1.0 1.8 4.78 11 8 A 40 CYS H A 1 LYS HEx 1.0 1.8 5.22 12 8 A 1 LYS HEy A 40 CYS H 1.0 1.8 5.22 13 9 A 2 SER HA A 3 CYS H 1.0 1.8 2.66 14 10 A 2 SER HA A 34 ILE HA 1.0 1.8 2.50 15 11 A 2 SER HA A 34 ILE HG2% 1.0 1.8 5.57 16 12 A 2 SER HA A 34 ILE HD1% 1.0 1.8 4.81 17 13 A 2 SER HA A 35 ILE H 1.0 1.8 4.10 18 14 A 3 CYS H A 2 SER HBy 1.0 1.8 4.14 19 15 A 34 ILE HD1% A 2 SER HBy 1.0 1.8 5.25 20 16 A 3 CYS H A 2 SER HBx 1.0 1.8 4.14 21 17 A 34 ILE HD1% A 2 SER HBx 1.0 1.8 5.25 22 18 A 3 CYS H A 2 SER HBy 1.0 1.8 3.83 23 18 A 3 CYS H A 2 SER HBx 1.0 1.8 3.83 24 19 A 34 ILE HD1% A 2 SER HBy 1.0 1.8 5.07 25 19 A 34 ILE HD1% A 2 SER HBx 1.0 1.8 5.07 26 20 A 3 CYS H A 3 CYS HBy 1.0 1.8 3.94 27 21 A 3 CYS H A 3 CYS HBx 1.0 1.8 3.94 28 22 A 3 CYS H A 3 CYS HBx 1.0 1.8 3.49 29 22 A 3 CYS H A 3 CYS HBy 1.0 1.8 3.49 30 23 A 3 CYS H A 32 CYS HBy 1.0 1.8 4.56 31 24 A 3 CYS H A 32 CYS HBx 1.0 1.8 4.38 32 25 A 3 CYS H A 32 CYS HBx 1.0 1.8 4.15 33 25 A 3 CYS H A 32 CYS HBy 1.0 1.8 4.15 34 26 A 3 CYS H A 33 LYS H 1.0 1.8 3.30 35 27 A 3 CYS H A 34 ILE HA 1.0 1.8 3.90 36 28 A 3 CYS H A 34 ILE HD1% 1.0 1.8 5.85 37 29 A 3 CYS HA A 4 CYS H 1.0 1.8 2.78 38 30 A 3 CYS CB A 40 CYS SG 1.0 1.8 3.10 39 31 A 3 CYS HBy A 40 CYS HBy 1.0 1.8 5.81 40 32 A 3 CYS HBy A 40 CYS HBx 1.0 1.8 5.81 41 33 A 40 CYS HBy A 3 CYS HBx 1.0 1.8 5.81 42 34 A 3 CYS HBx A 40 CYS HBx 1.0 1.8 5.81 43 35 A 4 CYS H A 3 CYS HBx 1.0 1.8 4.98 44 35 A 3 CYS HBy A 4 CYS H 1.0 1.8 4.98 45 36 A 3 CYS HBy A 33 LYS HBx 1.0 1.8 6.29 46 36 A 3 CYS HBx A 33 LYS HBx 1.0 1.8 6.29 47 36 A 33 LYS HBy A 3 CYS HBx 1.0 1.8 6.29 48 36 A 3 CYS HBy A 33 LYS HBy 1.0 1.8 6.29 49 37 A 3 CYS HBy A 40 CYS HBx 1.0 1.8 4.51 50 37 A 3 CYS HBx A 40 CYS HBx 1.0 1.8 4.51 51 37 A 40 CYS HBy A 3 CYS HBx 1.0 1.8 4.51 52 37 A 3 CYS HBy A 40 CYS HBy 1.0 1.8 4.51 53 38 A 3 CYS SG A 40 CYS CB 1.0 1.8 3.10 54 39 A 40 CYS SG A 3 CYS SG 1.0 1.8 2.10 55 40 A 4 CYS H A 4 CYS HBy 1.0 1.8 3.30 56 41 A 4 CYS H A 4 CYS HBx 1.0 1.8 4.02 57 42 A 4 CYS H A 44 TYR HBy 1.0 1.8 4.34 58 43 A 4 CYS H A 44 TYR HBx 1.0 1.8 4.34 59 44 A 4 CYS H A 44 TYR HBy 1.0 1.8 4.13 60 44 A 4 CYS H A 44 TYR HBx 1.0 1.8 4.13 61 45 A 4 CYS H A 46 LYS H 1.0 1.8 3.50 62 46 A 4 CYS HA A 5 PRO HDy 1.0 1.8 3.50 63 47 A 4 CYS HA A 5 PRO HDx 1.0 1.8 3.50 64 48 A 4 CYS HA A 5 PRO HDy 1.0 1.8 3.33 65 48 A 4 CYS HA A 5 PRO HDx 1.0 1.8 3.33 66 49 A 4 CYS HA A 32 CYS HA 1.0 1.8 2.22 67 50 A 4 CYS HA A 32 CYS HBx 1.0 1.8 4.86 68 50 A 32 CYS HBy A 4 CYS HA 1.0 1.8 4.86 69 51 A 33 LYS H A 4 CYS HA 1.0 1.8 3.90 70 52 A 4 CYS HA A 44 TYR HD% 1.0 1.8 5.80 71 53 A 4 CYS HA A 44 TYR HE% 1.0 1.8 5.88 72 54 A 4 CYS CB A 32 CYS SG 1.0 1.8 3.10 73 55 A 4 CYS HBy A 5 PRO HDy 1.0 1.8 5.45 74 56 A 5 PRO HDx A 4 CYS HBy 1.0 1.8 5.45 75 57 A 6 ASN H A 4 CYS HBy 1.0 1.8 3.58 76 58 A 10 ARG H A 4 CYS HBy 1.0 1.8 3.98 77 59 A 4 CYS HBy A 10 ARG HGy 1.0 1.8 5.49 78 60 A 4 CYS HBy A 10 ARG HGx 1.0 1.8 5.49 79 61 A 10 ARG HE A 4 CYS HBy 1.0 1.8 4.14 80 62 A 46 LYS HBy A 4 CYS HBy 1.0 1.8 5.22 81 62 A 4 CYS HBy A 46 LYS HBx 1.0 1.8 5.22 82 63 A 4 CYS HBx A 5 PRO HDy 1.0 1.8 5.45 83 64 A 5 PRO HDx A 4 CYS HBx 1.0 1.8 5.45 84 65 A 6 ASN H A 4 CYS HBx 1.0 1.8 3.58 85 66 A 10 ARG H A 4 CYS HBx 1.0 1.8 3.98 86 67 A 10 ARG HGy A 4 CYS HBx 1.0 1.8 5.49 87 68 A 4 CYS HBx A 10 ARG HGx 1.0 1.8 5.49 88 69 A 10 ARG HE A 4 CYS HBx 1.0 1.8 4.14 89 70 A 46 LYS HBy A 4 CYS HBx 1.0 1.8 5.22 90 70 A 4 CYS HBx A 46 LYS HBx 1.0 1.8 5.22 91 71 A 4 CYS HBx A 5 PRO HDy 1.0 1.8 4.31 92 71 A 4 CYS HBy A 5 PRO HDy 1.0 1.8 4.31 93 71 A 5 PRO HDx A 4 CYS HBx 1.0 1.8 4.31 94 71 A 5 PRO HDx A 4 CYS HBy 1.0 1.8 4.31 95 72 A 6 ASN H A 4 CYS HBx 1.0 1.8 3.33 96 72 A 6 ASN H A 4 CYS HBy 1.0 1.8 3.33 97 73 A 10 ARG H A 4 CYS HBx 1.0 1.8 3.70 98 73 A 10 ARG H A 4 CYS HBy 1.0 1.8 3.70 99 74 A 4 CYS HBy A 10 ARG HGx 1.0 1.8 4.49 100 74 A 4 CYS HBx A 10 ARG HGx 1.0 1.8 4.49 101 74 A 10 ARG HGy A 4 CYS HBx 1.0 1.8 4.49 102 74 A 4 CYS HBy A 10 ARG HGy 1.0 1.8 4.49 103 75 A 10 ARG HE A 4 CYS HBx 1.0 1.8 3.75 104 75 A 10 ARG HE A 4 CYS HBy 1.0 1.8 3.75 105 76 A 4 CYS HBy A 46 LYS HBx 1.0 1.8 5.08 106 76 A 4 CYS HBx A 46 LYS HBx 1.0 1.8 5.08 107 76 A 46 LYS HBy A 4 CYS HBx 1.0 1.8 5.08 108 76 A 46 LYS HBy A 4 CYS HBy 1.0 1.8 5.08 109 77 A 4 CYS SG A 32 CYS CB 1.0 1.8 3.10 110 78 A 32 CYS SG A 4 CYS SG 1.0 1.8 2.10 111 79 A 44 TYR HD% A 5 PRO HA 1.0 1.8 6.04 112 80 A 5 PRO HA A 45 PRO HDx 1.0 1.8 4.34 113 80 A 5 PRO HA A 45 PRO HDy 1.0 1.8 4.34 114 81 A 46 LYS H A 5 PRO HA 1.0 1.8 4.62 115 82 A 6 ASN H A 5 PRO HBx 1.0 1.8 3.50 116 83 A 6 ASN HD2y A 5 PRO HBx 1.0 1.8 4.30 117 84 A 6 ASN HD2x A 5 PRO HBx 1.0 1.8 4.30 118 85 A 44 TYR HD% A 5 PRO HBx 1.0 1.8 6.64 119 86 A 6 ASN H A 5 PRO HBy 1.0 1.8 4.30 120 87 A 6 ASN HD2y A 5 PRO HBy 1.0 1.8 4.30 121 88 A 6 ASN HD2x A 5 PRO HBy 1.0 1.8 4.30 122 89 A 44 TYR HD% A 5 PRO HBy 1.0 1.8 6.32 123 90 A 6 ASN HD2x A 5 PRO HBy 1.0 1.8 3.93 124 90 A 6 ASN HD2x A 5 PRO HBx 1.0 1.8 3.93 125 90 A 6 ASN HD2y A 5 PRO HBx 1.0 1.8 3.93 126 90 A 6 ASN HD2y A 5 PRO HBy 1.0 1.8 3.93 127 91 A 44 TYR HD% A 5 PRO HBx 1.0 1.8 6.00 128 91 A 44 TYR HD% A 5 PRO HBy 1.0 1.8 6.00 129 92 A 44 TYR HE% A 5 PRO HBx 1.0 1.8 7.07 130 92 A 44 TYR HE% A 5 PRO HBy 1.0 1.8 7.07 131 93 A 44 TYR HD% A 5 PRO HGx 1.0 1.8 7.56 132 93 A 44 TYR HD% A 5 PRO HGy 1.0 1.8 7.56 133 94 A 6 ASN H A 5 PRO HDy 1.0 1.8 4.46 134 95 A 32 CYS HA A 5 PRO HDy 1.0 1.8 3.23 135 96 A 44 TYR HD% A 5 PRO HDy 1.0 1.8 6.00 136 97 A 44 TYR HE% A 5 PRO HDy 1.0 1.8 5.84 137 98 A 5 PRO HDx A 6 ASN H 1.0 1.8 4.46 138 99 A 5 PRO HDx A 44 TYR HD% 1.0 1.8 6.00 139 100 A 5 PRO HDx A 44 TYR HE% 1.0 1.8 5.84 140 101 A 5 PRO HDx A 32 CYS HA 1.0 1.8 3.23 141 102 A 6 ASN H A 5 PRO HDy 1.0 1.8 3.91 142 102 A 5 PRO HDx A 6 ASN H 1.0 1.8 3.91 143 103 A 5 PRO HDx A 44 TYR HBy 1.0 1.8 5.29 144 103 A 5 PRO HDy A 44 TYR HBy 1.0 1.8 5.29 145 103 A 44 TYR HBx A 5 PRO HDy 1.0 1.8 5.29 146 103 A 44 TYR HBx A 5 PRO HDx 1.0 1.8 5.29 147 104 A 44 TYR HD% A 5 PRO HDy 1.0 1.8 5.68 148 104 A 5 PRO HDx A 44 TYR HD% 1.0 1.8 5.68 149 105 A 44 TYR HE% A 5 PRO HDy 1.0 1.8 6.55 150 105 A 5 PRO HDx A 44 TYR HE% 1.0 1.8 6.55 151 106 A 6 ASN H A 7 THR H 1.0 1.8 4.34 152 107 A 6 ASN H A 9 GLY H 1.0 1.8 4.14 153 108 A 6 ASN H A 10 ARG H 1.0 1.8 4.49 154 109 A 6 ASN H A 46 LYS HBx 1.0 1.8 4.94 155 109 A 6 ASN H A 46 LYS HBy 1.0 1.8 4.94 156 110 A 7 THR H A 6 ASN HA 1.0 1.8 2.70 157 111 A 6 ASN HA A 8 THR H 1.0 1.8 4.34 158 112 A 6 ASN HA A 46 LYS HBx 1.0 1.8 4.34 159 112 A 46 LYS HBy A 6 ASN HA 1.0 1.8 4.34 160 113 A 7 THR H A 6 ASN HBx 1.0 1.8 3.94 161 113 A 7 THR H A 6 ASN HBy 1.0 1.8 3.94 162 114 A 8 THR H A 6 ASN HBx 1.0 1.8 4.66 163 114 A 8 THR H A 6 ASN HBy 1.0 1.8 4.66 164 115 A 7 THR H A 7 THR HB 1.0 1.8 2.94 165 116 A 7 THR H A 8 THR H 1.0 1.8 3.14 166 117 A 7 THR H A 9 GLY H 1.0 1.8 4.18 167 118 A 7 THR H A 46 LYS HBx 1.0 1.8 4.94 168 118 A 46 LYS HBy A 7 THR H 1.0 1.8 4.94 169 119 A 7 THR HB A 7 THR HA 1.0 1.8 3.02 170 120 A 10 ARG H A 7 THR HA 1.0 1.8 3.38 171 121 A 7 THR HA A 10 ARG HBx 1.0 1.8 4.42 172 121 A 7 THR HA A 10 ARG HBy 1.0 1.8 4.42 173 122 A 7 THR HA A 10 ARG HGx 1.0 1.8 4.50 174 122 A 10 ARG HGy A 7 THR HA 1.0 1.8 4.50 175 123 A 8 THR H A 7 THR HB 1.0 1.8 2.94 176 124 A 8 THR H A 8 THR HA 1.0 1.8 2.86 177 125 A 8 THR H A 8 THR HB 1.0 1.8 2.78 178 126 A 9 GLY H A 8 THR H 1.0 1.8 3.14 179 127 A 8 THR HA A 8 THR HB 1.0 1.8 3.06 180 128 A 8 THR HA A 11 ASN H 1.0 1.8 3.50 181 129 A 8 THR HA A 11 ASN HBy 1.0 1.8 3.66 182 130 A 8 THR HA A 11 ASN HBx 1.0 1.8 3.66 183 131 A 8 THR HA A 11 ASN HBy 1.0 1.8 3.47 184 131 A 8 THR HA A 11 ASN HBx 1.0 1.8 3.47 185 132 A 9 GLY H A 8 THR HB 1.0 1.8 2.74 186 133 A 9 GLY H A 8 THR HG2% 1.0 1.8 5.73 187 134 A 11 ASN H A 8 THR HG2% 1.0 1.8 5.69 188 135 A 8 THR HG2% A 11 ASN HD2y 1.0 1.8 5.21 189 136 A 8 THR HG2% A 11 ASN HD2x 1.0 1.8 5.21 190 137 A 8 THR HG2% A 11 ASN HD2y 1.0 1.8 4.98 191 137 A 8 THR HG2% A 11 ASN HD2x 1.0 1.8 4.98 192 138 A 8 THR HG2% A 12 ILE HG1y 1.0 1.8 5.80 193 138 A 8 THR HG2% A 12 ILE HG1x 1.0 1.8 5.80 194 139 A 9 GLY H A 9 GLY HAx 1.0 1.8 2.90 195 140 A 9 GLY H A 9 GLY HAy 1.0 1.8 2.90 196 141 A 10 ARG H A 9 GLY H 1.0 1.8 3.26 197 142 A 10 ARG H A 9 GLY HAx 1.0 1.8 3.54 198 143 A 12 ILE H A 9 GLY HAx 1.0 1.8 4.50 199 144 A 10 ARG H A 9 GLY HAy 1.0 1.8 3.54 200 145 A 12 ILE H A 9 GLY HAy 1.0 1.8 4.50 201 146 A 12 ILE H A 9 GLY HAx 1.0 1.8 4.08 202 146 A 12 ILE H A 9 GLY HAy 1.0 1.8 4.08 203 147 A 10 ARG H A 10 ARG HGy 1.0 1.8 4.22 204 148 A 10 ARG H A 10 ARG HGx 1.0 1.8 4.22 205 149 A 10 ARG H A 10 ARG HGx 1.0 1.8 3.53 206 149 A 10 ARG H A 10 ARG HGy 1.0 1.8 3.53 207 150 A 10 ARG H A 11 ASN H 1.0 1.8 3.06 208 151 A 10 ARG HGy A 10 ARG HA 1.0 1.8 4.02 209 152 A 10 ARG HA A 10 ARG HGx 1.0 1.8 4.02 210 153 A 10 ARG HA A 10 ARG HGx 1.0 1.8 3.46 211 153 A 10 ARG HGy A 10 ARG HA 1.0 1.8 3.46 212 154 A 10 ARG HA A 10 ARG HDy 1.0 1.8 3.54 213 155 A 10 ARG HA A 10 ARG HDx 1.0 1.8 3.54 214 156 A 11 ASN H A 10 ARG HA 1.0 1.8 3.51 215 157 A 10 ARG HA A 13 TYR H 1.0 1.8 3.70 216 158 A 10 ARG HA A 13 TYR HBx 1.0 1.8 4.46 217 158 A 10 ARG HA A 13 TYR HBy 1.0 1.8 4.46 218 159 A 10 ARG HA A 14 ASN HD2x 1.0 1.8 4.50 219 160 A 10 ARG HA A 14 ASN HD2y 1.0 1.8 4.50 220 161 A 10 ARG HA A 14 ASN HD2x 1.0 1.8 4.24 221 161 A 10 ARG HA A 14 ASN HD2y 1.0 1.8 4.24 222 162 A 10 ARG HE A 10 ARG HBx 1.0 1.8 5.34 223 162 A 10 ARG HE A 10 ARG HBy 1.0 1.8 5.34 224 163 A 11 ASN H A 10 ARG HBx 1.0 1.8 4.54 225 163 A 10 ARG HBy A 11 ASN H 1.0 1.8 4.54 226 164 A 10 ARG HE A 10 ARG HGy 1.0 1.8 3.06 227 165 A 10 ARG HE A 10 ARG HGx 1.0 1.8 3.06 228 166 A 11 ASN H A 10 ARG HGx 1.0 1.8 4.83 229 166 A 10 ARG HGy A 11 ASN H 1.0 1.8 4.83 230 167 A 14 ASN HD2x A 10 ARG HDy 1.0 1.8 4.18 231 168 A 14 ASN HD2y A 10 ARG HDy 1.0 1.8 4.18 232 169 A 14 ASN HD2x A 10 ARG HDx 1.0 1.8 4.18 233 170 A 14 ASN HD2y A 10 ARG HDx 1.0 1.8 4.18 234 171 A 14 ASN H A 10 ARG HDy 1.0 1.8 5.38 235 171 A 10 ARG HDx A 14 ASN H 1.0 1.8 5.38 236 172 A 14 ASN HD2y A 10 ARG HDx 1.0 1.8 3.43 237 172 A 14 ASN HD2x A 10 ARG HDx 1.0 1.8 3.43 238 172 A 14 ASN HD2y A 10 ARG HDy 1.0 1.8 3.43 239 172 A 14 ASN HD2x A 10 ARG HDy 1.0 1.8 3.43 240 173 A 11 ASN H A 11 ASN HBy 1.0 1.8 3.06 241 174 A 11 ASN H A 11 ASN HBx 1.0 1.8 3.06 242 175 A 11 ASN H A 11 ASN HBy 1.0 1.8 2.81 243 175 A 11 ASN H A 11 ASN HBx 1.0 1.8 2.81 244 176 A 11 ASN H A 14 ASN H 1.0 1.8 4.85 245 177 A 14 ASN H A 11 ASN HA 1.0 1.8 4.17 246 178 A 11 ASN HA A 14 ASN HBy 1.0 1.8 4.18 247 179 A 11 ASN HA A 14 ASN HBx 1.0 1.8 4.18 248 180 A 11 ASN HA A 14 ASN HBy 1.0 1.8 3.63 249 180 A 11 ASN HA A 14 ASN HBx 1.0 1.8 3.63 250 181 A 11 ASN HA A 15 THR H 1.0 1.8 4.14 251 182 A 11 ASN HD2y A 11 ASN HBy 1.0 1.8 3.86 252 183 A 11 ASN HD2x A 11 ASN HBy 1.0 1.8 3.86 253 184 A 11 ASN HBx A 11 ASN HD2y 1.0 1.8 3.86 254 185 A 11 ASN HBx A 11 ASN HD2x 1.0 1.8 3.86 255 186 A 11 ASN HBx A 11 ASN HD2x 1.0 1.8 3.28 256 186 A 11 ASN HD2x A 11 ASN HBy 1.0 1.8 3.28 257 186 A 11 ASN HBx A 11 ASN HD2y 1.0 1.8 3.28 258 186 A 11 ASN HD2y A 11 ASN HBy 1.0 1.8 3.28 259 187 A 12 ILE H A 12 ILE HB 1.0 1.8 2.90 260 188 A 12 ILE H A 12 ILE HG1y 1.0 1.8 3.42 261 189 A 12 ILE HG1x A 12 ILE H 1.0 1.8 3.42 262 190 A 12 ILE H A 12 ILE HG1y 1.0 1.8 3.05 263 190 A 12 ILE HG1x A 12 ILE H 1.0 1.8 3.05 264 191 A 12 ILE H A 12 ILE HD1% 1.0 1.8 5.29 265 192 A 12 ILE H A 13 TYR H 1.0 1.8 3.06 266 193 A 12 ILE H A 15 THR H 1.0 1.8 4.75 267 194 A 12 ILE HA A 12 ILE HG1y 1.0 1.8 3.38 268 195 A 12 ILE HG1x A 12 ILE HA 1.0 1.8 3.38 269 196 A 13 TYR H A 12 ILE HA 1.0 1.8 3.63 270 197 A 15 THR H A 12 ILE HA 1.0 1.8 3.82 271 198 A 12 ILE HA A 15 THR HB 1.0 1.8 4.22 272 199 A 12 ILE HB A 12 ILE HG1y 1.0 1.8 2.71 273 199 A 12 ILE HG1x A 12 ILE HB 1.0 1.8 2.71 274 200 A 13 TYR H A 12 ILE HB 1.0 1.8 3.14 275 201 A 12 ILE HB A 30 SER HA 1.0 1.8 3.66 276 202 A 12 ILE HB A 30 SER HBy 1.0 1.8 3.86 277 203 A 12 ILE HB A 30 SER HBx 1.0 1.8 3.86 278 204 A 13 TYR H A 12 ILE HG2% 1.0 1.8 5.29 279 205 A 12 ILE HG2% A 16 CYS H 1.0 1.8 5.73 280 206 A 30 SER HA A 12 ILE HG2% 1.0 1.8 4.41 281 207 A 12 ILE HG2% A 30 SER HBy 1.0 1.8 5.09 282 208 A 12 ILE HG2% A 30 SER HBx 1.0 1.8 5.09 283 209 A 12 ILE HG2% A 30 SER HBy 1.0 1.8 4.93 284 209 A 12 ILE HG2% A 30 SER HBx 1.0 1.8 4.93 285 210 A 13 TYR H A 12 ILE HG1y 1.0 1.8 4.98 286 210 A 12 ILE HG1x A 13 TYR H 1.0 1.8 4.98 287 211 A 12 ILE HD1% A 30 SER HA 1.0 1.8 5.01 288 212 A 13 TYR H A 13 TYR HA 1.0 1.8 2.70 289 213 A 13 TYR H A 13 TYR HE% 1.0 1.8 6.83 290 214 A 13 TYR H A 14 ASN H 1.0 1.8 3.00 291 215 A 13 TYR H A 15 THR H 1.0 1.8 4.22 292 216 A 13 TYR H A 29 LEU HDy% 1.0 1.8 8.02 293 216 A 13 TYR H A 29 LEU HDx% 1.0 1.8 8.02 294 217 A 13 TYR H A 30 SER HBy 1.0 1.8 3.46 295 218 A 13 TYR H A 30 SER HBx 1.0 1.8 3.46 296 219 A 13 TYR H A 30 SER HBy 1.0 1.8 3.27 297 219 A 13 TYR H A 30 SER HBx 1.0 1.8 3.27 298 220 A 13 TYR HA A 13 TYR HE% 1.0 1.8 5.91 299 221 A 14 ASN H A 13 TYR HA 1.0 1.8 3.59 300 222 A 15 THR H A 13 TYR HA 1.0 1.8 4.60 301 223 A 16 CYS H A 13 TYR HA 1.0 1.8 3.74 302 224 A 13 TYR HA A 16 CYS HBy 1.0 1.8 4.18 303 225 A 13 TYR HA A 16 CYS HBx 1.0 1.8 4.18 304 226 A 13 TYR HA A 16 CYS HBx 1.0 1.8 3.95 305 226 A 13 TYR HA A 16 CYS HBy 1.0 1.8 3.95 306 227 A 13 TYR HA A 26 CYS HBx 1.0 1.8 4.42 307 227 A 13 TYR HA A 26 CYS HBy 1.0 1.8 4.42 308 228 A 13 TYR HA A 30 SER H 1.0 1.8 4.72 309 229 A 13 TYR HA A 30 SER HG 1.0 1.8 4.14 310 230 A 14 ASN H A 13 TYR HD% 1.0 1.8 5.92 311 231 A 13 TYR HD% A 17 ARG HGy 1.0 1.8 6.32 312 232 A 13 TYR HD% A 17 ARG HGx 1.0 1.8 6.32 313 233 A 13 TYR HD% A 17 ARG HGx 1.0 1.8 6.16 314 233 A 13 TYR HD% A 17 ARG HGy 1.0 1.8 6.16 315 234 A 13 TYR HD% A 23 ARG HA 1.0 1.8 5.84 316 235 A 13 TYR HD% A 26 CYS HBx 1.0 1.8 6.80 317 235 A 26 CYS HBy A 13 TYR HD% 1.0 1.8 6.80 318 236 A 13 TYR HD% A 27 ALA H 1.0 1.8 5.84 319 237 A 13 TYR HD% A 27 ALA HA 1.0 1.8 5.48 320 238 A 13 TYR HD% A 27 ALA HB% 1.0 1.8 7.55 321 239 A 13 TYR HD% A 30 SER HBy 1.0 1.8 7.24 322 239 A 30 SER HBx A 13 TYR HD% 1.0 1.8 7.24 323 240 A 30 SER HG A 13 TYR HD% 1.0 1.8 5.64 324 241 A 34 ILE HD1% A 13 TYR HD% 1.0 1.8 7.47 325 242 A 14 ASN H A 13 TYR HE% 1.0 1.8 6.19 326 243 A 13 TYR HE% A 26 CYS HBx 1.0 1.8 7.27 327 243 A 13 TYR HE% A 26 CYS HBy 1.0 1.8 7.27 328 244 A 13 TYR HE% A 27 ALA H 1.0 1.8 6.15 329 245 A 13 TYR HE% A 27 ALA HA 1.0 1.8 6.11 330 246 A 13 TYR HE% A 27 ALA HB% 1.0 1.8 8.30 331 247 A 13 TYR HE% A 30 SER HG 1.0 1.8 6.23 332 248 A 34 ILE HD1% A 13 TYR HE% 1.0 1.8 8.22 333 249 A 14 ASN H A 14 ASN HBy 1.0 1.8 3.46 334 250 A 14 ASN H A 14 ASN HBx 1.0 1.8 3.46 335 251 A 14 ASN H A 14 ASN HBy 1.0 1.8 3.03 336 251 A 14 ASN H A 14 ASN HBx 1.0 1.8 3.03 337 252 A 14 ASN HD2x A 14 ASN H 1.0 1.8 5.45 338 252 A 14 ASN HD2y A 14 ASN H 1.0 1.8 5.45 339 253 A 14 ASN H A 15 THR H 1.0 1.8 3.14 340 254 A 14 ASN H A 16 CYS H 1.0 1.8 4.42 341 255 A 14 ASN HD2x A 14 ASN HA 1.0 1.8 4.50 342 256 A 14 ASN HD2y A 14 ASN HA 1.0 1.8 4.50 343 257 A 14 ASN HD2x A 14 ASN HA 1.0 1.8 4.26 344 257 A 14 ASN HD2y A 14 ASN HA 1.0 1.8 4.26 345 258 A 15 THR H A 14 ASN HA 1.0 1.8 3.62 346 259 A 14 ASN HA A 17 ARG HBy 1.0 1.8 3.66 347 260 A 14 ASN HA A 17 ARG HBx 1.0 1.8 4.05 348 261 A 14 ASN HA A 17 ARG HBy 1.0 1.8 3.41 349 261 A 14 ASN HA A 17 ARG HBx 1.0 1.8 3.41 350 262 A 14 ASN HD2x A 14 ASN HBy 1.0 1.8 3.78 351 263 A 14 ASN HD2y A 14 ASN HBy 1.0 1.8 3.78 352 264 A 15 THR H A 14 ASN HBy 1.0 1.8 3.70 353 265 A 14 ASN HD2x A 14 ASN HBx 1.0 1.8 3.78 354 266 A 14 ASN HD2y A 14 ASN HBx 1.0 1.8 4.10 355 267 A 14 ASN HBx A 15 THR H 1.0 1.8 3.70 356 268 A 14 ASN HD2x A 14 ASN HBy 1.0 1.8 3.26 357 268 A 14 ASN HD2x A 14 ASN HBx 1.0 1.8 3.26 358 268 A 14 ASN HD2y A 14 ASN HBy 1.0 1.8 3.26 359 268 A 14 ASN HD2y A 14 ASN HBx 1.0 1.8 3.26 360 269 A 15 THR H A 14 ASN HBy 1.0 1.8 3.41 361 269 A 14 ASN HBx A 15 THR H 1.0 1.8 3.41 362 270 A 15 THR H A 15 THR HB 1.0 1.8 2.78 363 271 A 15 THR H A 16 CYS H 1.0 1.8 3.06 364 272 A 15 THR H A 17 ARG H 1.0 1.8 4.20 365 273 A 16 CYS H A 15 THR HA 1.0 1.8 3.50 366 274 A 15 THR HA A 18 PHE H 1.0 1.8 3.46 367 275 A 15 THR HA A 18 PHE HBx 1.0 1.8 4.54 368 275 A 15 THR HA A 18 PHE HBy 1.0 1.8 4.54 369 276 A 15 THR HA A 18 PHE HD% 1.0 1.8 6.50 370 277 A 15 THR HB A 16 CYS H 1.0 1.8 2.98 371 278 A 16 CYS H A 15 THR HG2% 1.0 1.8 5.65 372 279 A 16 CYS H A 16 CYS HBy 1.0 1.8 2.86 373 280 A 16 CYS H A 16 CYS HBx 1.0 1.8 2.86 374 281 A 16 CYS H A 17 ARG H 1.0 1.8 3.14 375 282 A 17 ARG H A 16 CYS HA 1.0 1.8 3.62 376 283 A 18 PHE H A 16 CYS HA 1.0 1.8 4.40 377 284 A 16 CYS HA A 19 ALA H 1.0 1.8 3.90 378 285 A 16 CYS HA A 19 ALA HB% 1.0 1.8 4.77 379 286 A 16 CYS CB A 26 CYS SG 1.0 1.8 3.10 380 287 A 16 CYS HBy A 17 ARG H 1.0 1.8 3.87 381 288 A 16 CYS HBy A 26 CYS HBy 1.0 1.8 5.49 382 289 A 16 CYS HBy A 26 CYS HBx 1.0 1.8 5.49 383 290 A 17 ARG H A 16 CYS HBx 1.0 1.8 3.70 384 291 A 26 CYS HBy A 16 CYS HBx 1.0 1.8 5.49 385 292 A 16 CYS HBx A 26 CYS HBx 1.0 1.8 5.49 386 293 A 17 ARG H A 16 CYS HBx 1.0 1.8 3.39 387 293 A 16 CYS HBy A 17 ARG H 1.0 1.8 3.39 388 294 A 16 CYS HBy A 26 CYS HBx 1.0 1.8 4.29 389 294 A 16 CYS HBx A 26 CYS HBx 1.0 1.8 4.29 390 294 A 26 CYS HBy A 16 CYS HBx 1.0 1.8 4.29 391 294 A 16 CYS HBy A 26 CYS HBy 1.0 1.8 4.29 392 295 A 16 CYS SG A 26 CYS CB 1.0 1.8 3.10 393 296 A 26 CYS SG A 16 CYS SG 1.0 1.8 2.10 394 297 A 17 ARG H A 17 ARG HBy 1.0 1.8 3.50 395 298 A 17 ARG HBx A 17 ARG H 1.0 1.8 3.50 396 299 A 17 ARG H A 17 ARG HBy 1.0 1.8 3.15 397 299 A 17 ARG HBx A 17 ARG H 1.0 1.8 3.15 398 300 A 17 ARG HGy A 17 ARG H 1.0 1.8 3.62 399 301 A 17 ARG H A 17 ARG HGx 1.0 1.8 3.62 400 302 A 17 ARG H A 17 ARG HGx 1.0 1.8 3.22 401 302 A 17 ARG HGy A 17 ARG H 1.0 1.8 3.22 402 303 A 17 ARG H A 17 ARG HDy 1.0 1.8 5.42 403 303 A 17 ARG H A 17 ARG HDx 1.0 1.8 5.42 404 304 A 17 ARG H A 18 PHE H 1.0 1.8 2.94 405 305 A 17 ARG H A 19 ALA H 1.0 1.8 4.34 406 306 A 17 ARG H A 26 CYS HBx 1.0 1.8 5.14 407 306 A 26 CYS HBy A 17 ARG H 1.0 1.8 5.14 408 307 A 17 ARG HGy A 17 ARG HA 1.0 1.8 4.06 409 308 A 17 ARG HA A 17 ARG HGx 1.0 1.8 4.06 410 309 A 17 ARG HA A 17 ARG HGx 1.0 1.8 3.80 411 309 A 17 ARG HGy A 17 ARG HA 1.0 1.8 3.80 412 310 A 17 ARG HA A 17 ARG HE 1.0 1.8 4.86 413 311 A 19 ALA H A 17 ARG HA 1.0 1.8 4.58 414 312 A 17 ARG HA A 20 GLY H 1.0 1.8 3.82 415 313 A 17 ARG HE A 17 ARG HBy 1.0 1.8 4.14 416 314 A 18 PHE H A 17 ARG HBy 1.0 1.8 3.54 417 315 A 17 ARG HBx A 17 ARG HE 1.0 1.8 4.14 418 316 A 17 ARG HBx A 18 PHE H 1.0 1.8 3.74 419 317 A 17 ARG HE A 17 ARG HBy 1.0 1.8 3.77 420 317 A 17 ARG HBx A 17 ARG HE 1.0 1.8 3.77 421 318 A 18 PHE H A 17 ARG HBy 1.0 1.8 3.27 422 318 A 17 ARG HBx A 18 PHE H 1.0 1.8 3.27 423 319 A 17 ARG HGy A 17 ARG HE 1.0 1.8 4.14 424 320 A 17 ARG HE A 17 ARG HGx 1.0 1.8 4.14 425 321 A 17 ARG HE A 17 ARG HGx 1.0 1.8 3.68 426 321 A 17 ARG HGy A 17 ARG HE 1.0 1.8 3.68 427 322 A 23 ARG HA A 17 ARG HDy 1.0 1.8 4.18 428 323 A 23 ARG HA A 17 ARG HDx 1.0 1.8 4.18 429 324 A 17 ARG HH1x A 17 ARG HDy 1.0 1.8 4.62 430 324 A 17 ARG HDx A 17 ARG HH1x 1.0 1.8 4.62 431 324 A 17 ARG HDx A 17 ARG HH1y 1.0 1.8 4.62 432 324 A 17 ARG HH1y A 17 ARG HDy 1.0 1.8 4.62 433 325 A 23 ARG HA A 17 ARG HDy 1.0 1.8 3.56 434 325 A 23 ARG HA A 17 ARG HDx 1.0 1.8 3.56 435 326 A 17 ARG HH1x A 23 ARG H 1.0 1.8 4.34 436 327 A 23 ARG H A 17 ARG HH1y 1.0 1.8 4.34 437 328 A 17 ARG HH1x A 22 SER HA 1.0 1.8 4.93 438 328 A 17 ARG HH1y A 22 SER HA 1.0 1.8 4.93 439 329 A 17 ARG HH1x A 23 ARG H 1.0 1.8 4.19 440 329 A 23 ARG H A 17 ARG HH1y 1.0 1.8 4.19 441 330 A 18 PHE H A 18 PHE HBx 1.0 1.8 3.70 442 330 A 18 PHE H A 18 PHE HBy 1.0 1.8 3.70 443 331 A 18 PHE H A 19 ALA H 1.0 1.8 2.90 444 332 A 18 PHE H A 19 ALA HB% 1.0 1.8 5.73 445 333 A 18 PHE H A 20 GLY H 1.0 1.8 4.45 446 334 A 19 ALA H A 18 PHE HBx 1.0 1.8 4.34 447 334 A 18 PHE HBy A 19 ALA H 1.0 1.8 4.34 448 335 A 19 ALA H A 19 ALA HA 1.0 1.8 2.94 449 336 A 19 ALA H A 20 GLY H 1.0 1.8 3.06 450 337 A 19 ALA H A 21 GLY H 1.0 1.8 4.30 451 338 A 19 ALA HB% A 21 GLY H 1.0 1.8 5.65 452 339 A 20 GLY H A 20 GLY HAx 1.0 1.8 2.94 453 340 A 20 GLY H A 20 GLY HAy 1.0 1.8 2.94 454 341 A 20 GLY H A 21 GLY H 1.0 1.8 2.86 455 342 A 21 GLY H A 21 GLY HAx 1.0 1.8 2.74 456 343 A 21 GLY H A 21 GLY HAy 1.0 1.8 2.74 457 344 A 22 SER H A 21 GLY HAx 1.0 1.8 3.47 458 345 A 22 SER H A 21 GLY HAy 1.0 1.8 3.10 459 346 A 22 SER H A 21 GLY HAx 1.0 1.8 2.68 460 346 A 22 SER H A 21 GLY HAy 1.0 1.8 2.68 461 347 A 22 SER H A 22 SER HBy 1.0 1.8 3.46 462 348 A 22 SER H A 22 SER HBx 1.0 1.8 3.46 463 349 A 22 SER H A 22 SER HBy 1.0 1.8 3.16 464 349 A 22 SER H A 22 SER HBx 1.0 1.8 3.16 465 350 A 22 SER H A 25 ARG HBy 1.0 1.8 3.74 466 351 A 22 SER H A 25 ARG HBx 1.0 1.8 3.74 467 352 A 22 SER H A 25 ARG HBy 1.0 1.8 3.47 468 352 A 22 SER H A 25 ARG HBx 1.0 1.8 3.47 469 353 A 22 SER HA A 22 SER HBy 1.0 1.8 2.71 470 353 A 22 SER HA A 22 SER HBx 1.0 1.8 2.71 471 354 A 23 ARG H A 22 SER HA 1.0 1.8 2.58 472 355 A 22 SER HA A 24 GLU H 1.0 1.8 4.58 473 356 A 23 ARG H A 22 SER HBy 1.0 1.8 3.50 474 357 A 24 GLU H A 22 SER HBy 1.0 1.8 4.22 475 358 A 23 ARG H A 22 SER HBx 1.0 1.8 3.50 476 359 A 22 SER HBx A 24 GLU H 1.0 1.8 4.22 477 360 A 23 ARG H A 22 SER HBy 1.0 1.8 3.13 478 360 A 23 ARG H A 22 SER HBx 1.0 1.8 3.13 479 361 A 24 GLU H A 22 SER HBy 1.0 1.8 3.78 480 361 A 22 SER HBx A 24 GLU H 1.0 1.8 3.78 481 362 A 25 ARG H A 22 SER HBy 1.0 1.8 4.98 482 362 A 22 SER HBx A 25 ARG H 1.0 1.8 4.98 483 363 A 23 ARG H A 23 ARG HBy 1.0 1.8 2.98 484 364 A 23 ARG H A 23 ARG HBx 1.0 1.8 3.58 485 365 A 23 ARG H A 23 ARG HGy 1.0 1.8 3.42 486 366 A 23 ARG H A 23 ARG HGx 1.0 1.8 3.42 487 367 A 23 ARG H A 23 ARG HGx 1.0 1.8 3.09 488 367 A 23 ARG H A 23 ARG HGy 1.0 1.8 3.09 489 368 A 23 ARG H A 23 ARG HDy 1.0 1.8 4.50 490 369 A 23 ARG H A 23 ARG HDx 1.0 1.8 4.50 491 370 A 23 ARG H A 23 ARG HDy 1.0 1.8 4.60 492 370 A 23 ARG H A 23 ARG HDx 1.0 1.8 4.60 493 371 A 23 ARG H A 24 GLU H 1.0 1.8 3.30 494 372 A 23 ARG HA A 23 ARG HGy 1.0 1.8 3.70 495 373 A 23 ARG HA A 23 ARG HGx 1.0 1.8 3.70 496 374 A 23 ARG HA A 23 ARG HGx 1.0 1.8 3.47 497 374 A 23 ARG HA A 23 ARG HGy 1.0 1.8 3.47 498 375 A 23 ARG HA A 23 ARG HE 1.0 1.8 4.94 499 376 A 23 ARG HA A 24 GLU H 1.0 1.8 3.65 500 377 A 23 ARG HA A 26 CYS H 1.0 1.8 3.87 501 378 A 23 ARG HA A 27 ALA H 1.0 1.8 4.42 502 379 A 23 ARG HGy A 23 ARG HBy 1.0 1.8 3.05 503 380 A 23 ARG HBy A 23 ARG HGx 1.0 1.8 3.05 504 381 A 23 ARG HE A 23 ARG HBy 1.0 1.8 4.14 505 382 A 24 GLU H A 23 ARG HBy 1.0 1.8 3.18 506 383 A 23 ARG HGy A 23 ARG HBx 1.0 1.8 2.62 507 384 A 23 ARG HBx A 23 ARG HGx 1.0 1.8 3.06 508 385 A 23 ARG HE A 23 ARG HBx 1.0 1.8 4.14 509 386 A 24 GLU H A 23 ARG HBx 1.0 1.8 3.18 510 387 A 23 ARG HBy A 23 ARG HGx 1.0 1.8 2.50 511 387 A 23 ARG HBx A 23 ARG HGx 1.0 1.8 2.50 512 387 A 23 ARG HGy A 23 ARG HBy 1.0 1.8 2.50 513 387 A 23 ARG HGy A 23 ARG HBx 1.0 1.8 2.50 514 388 A 23 ARG HBy A 23 ARG HDy 1.0 1.8 3.67 515 388 A 23 ARG HBx A 23 ARG HDy 1.0 1.8 3.67 516 388 A 23 ARG HDx A 23 ARG HBy 1.0 1.8 3.67 517 388 A 23 ARG HDx A 23 ARG HBx 1.0 1.8 3.67 518 389 A 23 ARG HE A 23 ARG HBy 1.0 1.8 3.99 519 389 A 23 ARG HE A 23 ARG HBx 1.0 1.8 3.99 520 390 A 34 ILE HD1% A 23 ARG HBy 1.0 1.8 6.04 521 390 A 34 ILE HD1% A 23 ARG HBx 1.0 1.8 6.04 522 391 A 23 ARG HGy A 23 ARG HH1% 1.0 1.8 5.89 523 392 A 23 ARG HH1% A 23 ARG HGx 1.0 1.8 5.89 524 393 A 23 ARG HH1% A 23 ARG HGx 1.0 1.8 5.74 525 393 A 23 ARG HGy A 23 ARG HH1% 1.0 1.8 5.74 526 394 A 34 ILE HG2% A 23 ARG HDy 1.0 1.8 6.09 527 395 A 34 ILE HG2% A 23 ARG HDx 1.0 1.8 6.09 528 396 A 34 ILE HG2% A 23 ARG HDy 1.0 1.8 5.90 529 396 A 34 ILE HG2% A 23 ARG HDx 1.0 1.8 5.90 530 397 A 34 ILE HD1% A 23 ARG HDy 1.0 1.8 6.52 531 397 A 34 ILE HD1% A 23 ARG HDx 1.0 1.8 6.52 532 398 A 24 GLU H A 24 GLU HBy 1.0 1.8 3.06 533 399 A 24 GLU H A 24 GLU HBx 1.0 1.8 3.55 534 400 A 24 GLU H A 24 GLU HGy 1.0 1.8 4.02 535 401 A 24 GLU H A 24 GLU HGx 1.0 1.8 4.02 536 402 A 24 GLU H A 24 GLU HGx 1.0 1.8 4.20 537 402 A 24 GLU H A 24 GLU HGy 1.0 1.8 4.20 538 403 A 24 GLU H A 25 ARG H 1.0 1.8 3.02 539 404 A 24 GLU HGy A 24 GLU HA 1.0 1.8 3.54 540 405 A 24 GLU HA A 24 GLU HGx 1.0 1.8 3.54 541 406 A 24 GLU HA A 24 GLU HGx 1.0 1.8 3.37 542 406 A 24 GLU HGy A 24 GLU HA 1.0 1.8 3.37 543 407 A 27 ALA H A 24 GLU HA 1.0 1.8 3.53 544 408 A 27 ALA HB% A 24 GLU HA 1.0 1.8 4.13 545 409 A 34 ILE HD1% A 24 GLU HA 1.0 1.8 6.01 546 410 A 25 ARG H A 24 GLU HBy 1.0 1.8 3.50 547 411 A 25 ARG H A 24 GLU HBx 1.0 1.8 3.50 548 412 A 25 ARG H A 24 GLU HGx 1.0 1.8 5.06 549 412 A 25 ARG H A 24 GLU HGy 1.0 1.8 5.06 550 413 A 25 ARG H A 25 ARG HBy 1.0 1.8 2.90 551 414 A 25 ARG HBx A 25 ARG H 1.0 1.8 2.90 552 415 A 25 ARG H A 25 ARG HGy 1.0 1.8 4.58 553 416 A 25 ARG H A 25 ARG HGx 1.0 1.8 4.58 554 417 A 25 ARG H A 25 ARG HGx 1.0 1.8 4.26 555 417 A 25 ARG H A 25 ARG HGy 1.0 1.8 4.26 556 418 A 25 ARG H A 25 ARG HDy 1.0 1.8 5.50 557 419 A 25 ARG H A 25 ARG HDx 1.0 1.8 5.50 558 420 A 25 ARG H A 26 CYS H 1.0 1.8 2.90 559 421 A 27 ALA H A 25 ARG H 1.0 1.8 4.38 560 422 A 25 ARG HGy A 25 ARG HA 1.0 1.8 3.82 561 423 A 25 ARG HA A 25 ARG HGx 1.0 1.8 3.82 562 424 A 25 ARG HA A 25 ARG HGx 1.0 1.8 3.50 563 424 A 25 ARG HGy A 25 ARG HA 1.0 1.8 3.50 564 425 A 25 ARG HA A 25 ARG HE 1.0 1.8 5.06 565 426 A 27 ALA H A 25 ARG HA 1.0 1.8 4.42 566 427 A 25 ARG HA A 28 LYS H 1.0 1.8 3.66 567 428 A 25 ARG HA A 28 LYS HBy 1.0 1.8 3.98 568 429 A 25 ARG HA A 28 LYS HBx 1.0 1.8 3.98 569 430 A 25 ARG HA A 28 LYS HBy 1.0 1.8 3.80 570 430 A 25 ARG HA A 28 LYS HBx 1.0 1.8 3.80 571 431 A 25 ARG HBy A 25 ARG HDy 1.0 1.8 4.22 572 432 A 25 ARG HDx A 25 ARG HBy 1.0 1.8 4.22 573 433 A 25 ARG HE A 25 ARG HBy 1.0 1.8 4.42 574 434 A 26 CYS H A 25 ARG HBy 1.0 1.8 3.18 575 435 A 25 ARG HBx A 25 ARG HDy 1.0 1.8 4.22 576 436 A 25 ARG HBx A 25 ARG HDx 1.0 1.8 4.22 577 437 A 25 ARG HBx A 25 ARG HE 1.0 1.8 4.42 578 438 A 25 ARG HBx A 26 CYS H 1.0 1.8 3.18 579 439 A 25 ARG HBx A 25 ARG HDy 1.0 1.8 3.68 580 439 A 25 ARG HBy A 25 ARG HDy 1.0 1.8 3.68 581 439 A 25 ARG HDx A 25 ARG HBy 1.0 1.8 3.68 582 439 A 25 ARG HBx A 25 ARG HDx 1.0 1.8 3.68 583 440 A 25 ARG HE A 25 ARG HBy 1.0 1.8 4.19 584 440 A 25 ARG HBx A 25 ARG HE 1.0 1.8 4.19 585 441 A 26 CYS H A 25 ARG HBy 1.0 1.8 2.99 586 441 A 25 ARG HBx A 26 CYS H 1.0 1.8 2.99 587 442 A 26 CYS HBy A 26 CYS H 1.0 1.8 3.42 588 443 A 26 CYS H A 26 CYS HBx 1.0 1.8 3.42 589 444 A 26 CYS H A 26 CYS HBx 1.0 1.8 3.10 590 444 A 26 CYS HBy A 26 CYS H 1.0 1.8 3.10 591 445 A 27 ALA H A 26 CYS H 1.0 1.8 3.02 592 446 A 26 CYS H A 28 LYS H 1.0 1.8 4.46 593 447 A 26 CYS HA A 29 LEU H 1.0 1.8 3.50 594 448 A 26 CYS HA A 29 LEU HBy 1.0 1.8 4.28 595 449 A 26 CYS HA A 29 LEU HBx 1.0 1.8 3.74 596 450 A 26 CYS HA A 29 LEU HBx 1.0 1.8 3.38 597 450 A 26 CYS HA A 29 LEU HBy 1.0 1.8 3.38 598 451 A 30 SER H A 26 CYS HA 1.0 1.8 4.10 599 452 A 26 CYS HBy A 27 ALA H 1.0 1.8 3.66 600 453 A 27 ALA H A 26 CYS HBx 1.0 1.8 3.66 601 454 A 27 ALA H A 26 CYS HBx 1.0 1.8 3.49 602 454 A 26 CYS HBy A 27 ALA H 1.0 1.8 3.49 603 455 A 27 ALA H A 28 LYS H 1.0 1.8 3.10 604 456 A 30 SER HG A 27 ALA H 1.0 1.8 4.46 605 457 A 30 SER H A 27 ALA HA 1.0 1.8 3.66 606 458 A 27 ALA HA A 30 SER HBy 1.0 1.8 4.42 607 458 A 30 SER HBx A 27 ALA HA 1.0 1.8 4.42 608 459 A 30 SER HG A 27 ALA HA 1.0 1.8 3.18 609 460 A 27 ALA HA A 31 GLY H 1.0 1.8 3.84 610 461 A 32 CYS HBy A 27 ALA HA 1.0 1.8 4.02 611 462 A 27 ALA HA A 32 CYS HBx 1.0 1.8 4.02 612 463 A 27 ALA HA A 32 CYS HBx 1.0 1.8 3.76 613 463 A 32 CYS HBy A 27 ALA HA 1.0 1.8 3.76 614 464 A 34 ILE HD1% A 27 ALA HB% 1.0 1.8 6.56 615 465 A 28 LYS H A 28 LYS HBy 1.0 1.8 2.90 616 466 A 28 LYS H A 28 LYS HBx 1.0 1.8 3.48 617 467 A 28 LYS H A 28 LYS HGy 1.0 1.8 3.96 618 468 A 28 LYS H A 28 LYS HGx 1.0 1.8 3.70 619 469 A 28 LYS H A 28 LYS HGy 1.0 1.8 4.10 620 469 A 28 LYS H A 28 LYS HGx 1.0 1.8 4.10 621 470 A 28 LYS H A 28 LYS HDx 1.0 1.8 5.90 622 470 A 28 LYS H A 28 LYS HDy 1.0 1.8 5.90 623 471 A 28 LYS H A 28 LYS HEx 1.0 1.8 6.38 624 471 A 28 LYS H A 28 LYS HEy 1.0 1.8 6.38 625 472 A 28 LYS H A 29 LEU H 1.0 1.8 3.02 626 473 A 28 LYS HA A 28 LYS HGy 1.0 1.8 3.66 627 474 A 28 LYS HGx A 28 LYS HA 1.0 1.8 3.66 628 475 A 28 LYS HA A 28 LYS HGy 1.0 1.8 3.49 629 475 A 28 LYS HGx A 28 LYS HA 1.0 1.8 3.49 630 476 A 28 LYS HA A 28 LYS HDx 1.0 1.8 5.10 631 476 A 28 LYS HDy A 28 LYS HA 1.0 1.8 5.10 632 477 A 29 LEU H A 28 LYS HA 1.0 1.8 3.64 633 478 A 31 GLY H A 28 LYS HA 1.0 1.8 4.02 634 479 A 28 LYS HEy A 28 LYS HBy 1.0 1.8 6.38 635 479 A 28 LYS HBy A 28 LYS HEx 1.0 1.8 6.38 636 480 A 29 LEU H A 28 LYS HBy 1.0 1.8 3.26 637 481 A 30 SER H A 28 LYS HBy 1.0 1.8 5.06 638 482 A 28 LYS HBx A 28 LYS HEy 1.0 1.8 6.38 639 482 A 28 LYS HBx A 28 LYS HEx 1.0 1.8 6.38 640 483 A 28 LYS HBx A 29 LEU H 1.0 1.8 3.26 641 484 A 30 SER H A 28 LYS HBx 1.0 1.8 4.77 642 485 A 30 SER H A 28 LYS HBy 1.0 1.8 5.30 643 485 A 30 SER H A 28 LYS HBx 1.0 1.8 5.30 644 486 A 29 LEU H A 28 LYS HGy 1.0 1.8 5.06 645 486 A 29 LEU H A 28 LYS HGx 1.0 1.8 5.06 646 487 A 29 LEU H A 28 LYS HDx 1.0 1.8 4.80 647 487 A 29 LEU H A 28 LYS HDy 1.0 1.8 4.80 648 488 A 29 LEU H A 29 LEU HBy 1.0 1.8 3.31 649 489 A 29 LEU H A 29 LEU HBx 1.0 1.8 2.86 650 490 A 29 LEU H A 29 LEU HBx 1.0 1.8 2.58 651 490 A 29 LEU H A 29 LEU HBy 1.0 1.8 2.58 652 491 A 29 LEU H A 29 LEU HG 1.0 1.8 4.50 653 492 A 29 LEU HDx% A 29 LEU H 1.0 1.8 6.05 654 493 A 29 LEU H A 29 LEU HDy% 1.0 1.8 6.05 655 494 A 29 LEU H A 29 LEU HDy% 1.0 1.8 5.64 656 494 A 29 LEU HDx% A 29 LEU H 1.0 1.8 5.64 657 495 A 30 SER H A 29 LEU H 1.0 1.8 3.02 658 496 A 29 LEU HDx% A 29 LEU HA 1.0 1.8 5.61 659 497 A 29 LEU HA A 29 LEU HDy% 1.0 1.8 5.61 660 498 A 30 SER H A 29 LEU HBy 1.0 1.8 4.58 661 499 A 30 SER H A 29 LEU HBx 1.0 1.8 3.82 662 500 A 30 SER H A 29 LEU HBx 1.0 1.8 4.10 663 500 A 30 SER H A 29 LEU HBy 1.0 1.8 4.10 664 501 A 30 SER H A 29 LEU HG 1.0 1.8 3.94 665 502 A 29 LEU HDx% A 30 SER H 1.0 1.8 6.49 666 503 A 30 SER H A 29 LEU HDy% 1.0 1.8 6.49 667 504 A 30 SER H A 29 LEU HDy% 1.0 1.8 6.03 668 504 A 29 LEU HDx% A 30 SER H 1.0 1.8 6.03 669 505 A 29 LEU HDx% A 30 SER HBy 1.0 1.8 7.53 670 505 A 29 LEU HDy% A 30 SER HBy 1.0 1.8 7.53 671 505 A 30 SER HBx A 29 LEU HDy% 1.0 1.8 7.53 672 505 A 30 SER HBx A 29 LEU HDx% 1.0 1.8 7.53 673 506 A 30 SER H A 30 SER HBy 1.0 1.8 3.78 674 507 A 30 SER HBx A 30 SER H 1.0 1.8 3.78 675 508 A 30 SER H A 30 SER HBy 1.0 1.8 3.48 676 508 A 30 SER HBx A 30 SER H 1.0 1.8 3.48 677 509 A 30 SER H A 30 SER HG 1.0 1.8 2.82 678 510 A 30 SER H A 31 GLY H 1.0 1.8 2.90 679 511 A 30 SER H A 32 CYS H 1.0 1.8 3.68 680 512 A 30 SER HA A 31 GLY H 1.0 1.8 3.64 681 513 A 31 GLY H A 30 SER HBy 1.0 1.8 3.98 682 514 A 30 SER HBx A 31 GLY H 1.0 1.8 3.98 683 515 A 30 SER HG A 31 GLY H 1.0 1.8 3.18 684 516 A 32 CYS HBy A 32 CYS H 1.0 1.8 3.58 685 517 A 32 CYS H A 32 CYS HBx 1.0 1.8 3.58 686 518 A 32 CYS H A 32 CYS HBx 1.0 1.8 3.16 687 518 A 32 CYS HBy A 32 CYS H 1.0 1.8 3.16 688 519 A 33 LYS H A 32 CYS HA 1.0 1.8 2.94 689 520 A 32 CYS HA A 44 TYR HD% 1.0 1.8 5.24 690 521 A 32 CYS HA A 44 TYR HE% 1.0 1.8 5.19 691 522 A 32 CYS HBy A 33 LYS H 1.0 1.8 3.54 692 523 A 33 LYS H A 32 CYS HBx 1.0 1.8 3.54 693 524 A 33 LYS H A 32 CYS HBx 1.0 1.8 3.17 694 524 A 32 CYS HBy A 33 LYS H 1.0 1.8 3.17 695 525 A 33 LYS H A 33 LYS HGy 1.0 1.8 3.78 696 526 A 33 LYS H A 33 LYS HGx 1.0 1.8 4.22 697 527 A 33 LYS H A 33 LYS HDx 1.0 1.8 4.62 698 527 A 33 LYS H A 33 LYS HDy 1.0 1.8 4.62 699 528 A 33 LYS H A 33 LYS HEy 1.0 1.8 4.02 700 529 A 33 LYS H A 33 LYS HEx 1.0 1.8 4.02 701 530 A 33 LYS H A 33 LYS HEx 1.0 1.8 3.80 702 530 A 33 LYS H A 33 LYS HEy 1.0 1.8 3.80 703 531 A 33 LYS H A 34 ILE H 1.0 1.8 4.38 704 532 A 33 LYS H A 44 TYR HD% 1.0 1.8 6.68 705 533 A 34 ILE H A 33 LYS HA 1.0 1.8 2.54 706 534 A 34 ILE H A 33 LYS HBx 1.0 1.8 5.10 707 534 A 33 LYS HBy A 34 ILE H 1.0 1.8 5.10 708 535 A 34 ILE H A 33 LYS HGy 1.0 1.8 5.49 709 535 A 34 ILE H A 33 LYS HGx 1.0 1.8 5.49 710 536 A 44 TYR HD% A 33 LYS HGy 1.0 1.8 7.28 711 536 A 44 TYR HD% A 33 LYS HGx 1.0 1.8 7.28 712 537 A 44 TYR HE% A 33 LYS HGy 1.0 1.8 7.27 713 537 A 44 TYR HE% A 33 LYS HGx 1.0 1.8 7.27 714 538 A 34 ILE H A 33 LYS HDx 1.0 1.8 5.03 715 538 A 33 LYS HDy A 34 ILE H 1.0 1.8 5.03 716 539 A 34 ILE HA A 34 ILE H 1.0 1.8 3.00 717 540 A 34 ILE H A 34 ILE HB 1.0 1.8 2.94 718 541 A 34 ILE H A 34 ILE HG1y 1.0 1.8 3.58 719 542 A 34 ILE H A 34 ILE HG1x 1.0 1.8 3.58 720 543 A 34 ILE H A 34 ILE HG1y 1.0 1.8 3.25 721 543 A 34 ILE H A 34 ILE HG1x 1.0 1.8 3.25 722 544 A 34 ILE HD1% A 34 ILE H 1.0 1.8 5.61 723 545 A 34 ILE HA A 34 ILE HD1% 1.0 1.8 4.45 724 546 A 34 ILE HA A 35 ILE H 1.0 1.8 2.58 725 547 A 34 ILE HB A 34 ILE HG1y 1.0 1.8 2.94 726 548 A 34 ILE HB A 34 ILE HG1x 1.0 1.8 2.94 727 549 A 34 ILE HB A 34 ILE HG1y 1.0 1.8 2.58 728 549 A 34 ILE HB A 34 ILE HG1x 1.0 1.8 2.58 729 550 A 34 ILE HD1% A 35 ILE H 1.0 1.8 5.65 730 551 A 35 ILE H A 35 ILE HA 1.0 1.8 2.78 731 552 A 35 ILE H A 35 ILE HB 1.0 1.8 3.87 732 553 A 35 ILE H A 35 ILE HG1y 1.0 1.8 3.58 733 554 A 35 ILE H A 35 ILE HG1x 1.0 1.8 3.58 734 555 A 35 ILE H A 35 ILE HG1y 1.0 1.8 3.29 735 555 A 35 ILE H A 35 ILE HG1x 1.0 1.8 3.29 736 556 A 35 ILE H A 35 ILE HD1% 1.0 1.8 4.73 737 557 A 35 ILE HA A 35 ILE HB 1.0 1.8 2.98 738 558 A 35 ILE HA A 36 SER H 1.0 1.8 2.58 739 559 A 35 ILE HA A 37 ALA H 1.0 1.8 4.22 740 560 A 35 ILE HB A 36 SER H 1.0 1.8 2.94 741 561 A 35 ILE HB A 37 ALA H 1.0 1.8 3.30 742 562 A 36 SER H A 35 ILE HG2% 1.0 1.8 5.29 743 563 A 37 ALA H A 35 ILE HG2% 1.0 1.8 5.33 744 564 A 35 ILE HG2% A 37 ALA HB% 1.0 1.8 6.64 745 565 A 35 ILE HG2% A 40 CYS HA 1.0 1.8 6.00 746 566 A 35 ILE HG2% A 41 PRO HDy 1.0 1.8 6.09 747 567 A 35 ILE HG2% A 41 PRO HDx 1.0 1.8 6.09 748 568 A 35 ILE HG2% A 41 PRO HDy 1.0 1.8 6.00 749 568 A 35 ILE HG2% A 41 PRO HDx 1.0 1.8 6.00 750 569 A 37 ALA H A 35 ILE HG1y 1.0 1.8 4.62 751 570 A 35 ILE HG1x A 37 ALA H 1.0 1.8 4.62 752 571 A 36 SER H A 35 ILE HG1y 1.0 1.8 5.30 753 571 A 35 ILE HG1x A 36 SER H 1.0 1.8 5.30 754 572 A 37 ALA H A 35 ILE HG1y 1.0 1.8 4.02 755 572 A 35 ILE HG1x A 37 ALA H 1.0 1.8 4.02 756 573 A 35 ILE HD1% A 36 SER H 1.0 1.8 5.81 757 574 A 35 ILE HD1% A 37 ALA H 1.0 1.8 5.21 758 575 A 35 ILE HD1% A 37 ALA HB% 1.0 1.8 6.20 759 576 A 35 ILE HD1% A 40 CYS HA 1.0 1.8 4.73 760 577 A 35 ILE HD1% A 41 PRO HDy 1.0 1.8 5.65 761 578 A 35 ILE HD1% A 41 PRO HDx 1.0 1.8 5.65 762 579 A 35 ILE HD1% A 41 PRO HDy 1.0 1.8 5.32 763 579 A 35 ILE HD1% A 41 PRO HDx 1.0 1.8 5.32 764 580 A 36 SER H A 37 ALA H 1.0 1.8 3.02 765 581 A 37 ALA H A 36 SER HA 1.0 1.8 3.06 766 582 A 37 ALA H A 38 SER H 1.0 1.8 2.90 767 583 A 38 SER H A 37 ALA HA 1.0 1.8 3.53 768 584 A 37 ALA HA A 39 THR H 1.0 1.8 4.40 769 585 A 37 ALA HB% A 38 SER H 1.0 1.8 4.37 770 586 A 37 ALA HB% A 39 THR H 1.0 1.8 4.41 771 587 A 38 SER H A 38 SER HBy 1.0 1.8 3.10 772 588 A 38 SER H A 38 SER HBx 1.0 1.8 3.10 773 589 A 38 SER H A 39 THR H 1.0 1.8 2.82 774 590 A 38 SER HA A 38 SER HBy 1.0 1.8 2.94 775 591 A 38 SER HA A 38 SER HBx 1.0 1.8 2.94 776 592 A 38 SER HA A 38 SER HBy 1.0 1.8 2.64 777 592 A 38 SER HA A 38 SER HBx 1.0 1.8 2.64 778 593 A 39 THR H A 38 SER HA 1.0 1.8 3.58 779 594 A 39 THR H A 39 THR HB 1.0 1.8 3.18 780 595 A 39 THR HA A 39 THR HB 1.0 1.8 3.02 781 596 A 39 THR HA A 40 CYS H 1.0 1.8 2.46 782 597 A 40 CYS H A 39 THR HB 1.0 1.8 3.90 783 598 A 40 CYS H A 39 THR HG2% 1.0 1.8 4.93 784 599 A 40 CYS H A 40 CYS HBy 1.0 1.8 3.10 785 600 A 40 CYS H A 40 CYS HBx 1.0 1.8 3.64 786 601 A 40 CYS H A 40 CYS HBx 1.0 1.8 3.39 787 601 A 40 CYS H A 40 CYS HBy 1.0 1.8 3.39 788 602 A 40 CYS H A 41 PRO HDy 1.0 1.8 4.78 789 602 A 40 CYS H A 41 PRO HDx 1.0 1.8 4.78 790 603 A 40 CYS HA A 41 PRO HDy 1.0 1.8 2.94 791 604 A 40 CYS HA A 41 PRO HDx 1.0 1.8 2.94 792 605 A 40 CYS HA A 41 PRO HDy 1.0 1.8 2.72 793 605 A 40 CYS HA A 41 PRO HDx 1.0 1.8 2.72 794 606 A 41 PRO HA A 42 SER H 1.0 1.8 2.72 795 607 A 42 SER H A 41 PRO HBx 1.0 1.8 4.47 796 607 A 42 SER H A 41 PRO HBy 1.0 1.8 4.47 797 608 A 43 ASP H A 41 PRO HBx 1.0 1.8 4.79 798 608 A 41 PRO HBy A 43 ASP H 1.0 1.8 4.79 799 609 A 44 TYR HD% A 41 PRO HGx 1.0 1.8 7.24 800 609 A 44 TYR HD% A 41 PRO HGy 1.0 1.8 7.24 801 610 A 44 TYR HD% A 41 PRO HDy 1.0 1.8 7.52 802 610 A 44 TYR HD% A 41 PRO HDx 1.0 1.8 7.52 803 611 A 44 TYR HE% A 41 PRO HDy 1.0 1.8 6.83 804 611 A 44 TYR HE% A 41 PRO HDx 1.0 1.8 6.83 805 612 A 42 SER H A 42 SER HA 1.0 1.8 2.86 806 613 A 42 SER H A 42 SER HBx 1.0 1.8 3.82 807 613 A 42 SER H A 42 SER HBy 1.0 1.8 3.82 808 614 A 43 ASP H A 42 SER HA 1.0 1.8 3.62 809 615 A 43 ASP H A 44 TYR H 1.0 1.8 3.33 810 616 A 44 TYR H A 43 ASP HA 1.0 1.8 3.62 811 617 A 44 TYR HD% A 43 ASP HBx 1.0 1.8 7.76 812 617 A 44 TYR HD% A 43 ASP HBy 1.0 1.8 7.76 813 618 A 44 TYR HE% A 43 ASP HBx 1.0 1.8 8.03 814 618 A 44 TYR HE% A 43 ASP HBy 1.0 1.8 8.03 815 619 A 44 TYR H A 44 TYR HBy 1.0 1.8 4.06 816 620 A 44 TYR HBx A 44 TYR H 1.0 1.8 4.06 817 621 A 44 TYR H A 44 TYR HBy 1.0 1.8 3.61 818 621 A 44 TYR HBx A 44 TYR H 1.0 1.8 3.61 819 622 A 44 TYR HE% A 44 TYR H 1.0 1.8 6.83 820 623 A 44 TYR H A 45 PRO HDx 1.0 1.8 4.62 821 623 A 45 PRO HDy A 44 TYR H 1.0 1.8 4.62 822 624 A 46 LYS H A 45 PRO HDx 1.0 1.8 4.58 823 624 A 46 LYS H A 45 PRO HDy 1.0 1.8 4.58 824 625 A 45 PRO HDx A 46 LYS HBx 1.0 1.8 6.85 825 625 A 45 PRO HDy A 46 LYS HBx 1.0 1.8 6.85 826 625 A 46 LYS HBy A 45 PRO HDx 1.0 1.8 6.85 827 625 A 46 LYS HBy A 45 PRO HDy 1.0 1.8 6.85 828 626 A 46 LYS H A 46 LYS HGx 1.0 1.8 5.14 829 626 A 46 LYS H A 46 LYS HGy 1.0 1.8 5.14 830 627 A 46 LYS H A 46 LYS HDy 1.0 1.8 5.50 831 628 A 46 LYS H A 46 LYS HDx 1.0 1.8 5.50 832 629 A 46 LYS H A 46 LYS HDy 1.0 1.8 5.10 833 629 A 46 LYS H A 46 LYS HDx 1.0 1.8 5.10 834 630 A 46 LYS H A 46 LYS HEy 1.0 1.8 5.50 835 631 A 46 LYS H A 46 LYS HEx 1.0 1.8 5.50 836 632 A 46 LYS HA A 46 LYS HDy 1.0 1.8 3.66 837 633 A 46 LYS HDx A 46 LYS HA 1.0 1.8 3.66 838 634 A 46 LYS HA A 46 LYS HDy 1.0 1.8 3.28 839 634 A 46 LYS HDx A 46 LYS HA 1.0 1.8 3.28 840 635 A 46 LYS HA A 46 LYS HEx 1.0 1.8 5.90 841 635 A 46 LYS HA A 46 LYS HEy 1.0 1.8 5.90 842 636 A 46 LYS HBy A 46 LYS HEy 1.0 1.8 5.18 843 636 A 46 LYS HEy A 46 LYS HBx 1.0 1.8 5.18 844 637 A 46 LYS HBy A 46 LYS HEx 1.0 1.8 5.18 845 637 A 46 LYS HBx A 46 LYS HEx 1.0 1.8 5.18 846 638 A 46 LYS HBy A 46 LYS HEx 1.0 1.8 4.94 847 638 A 46 LYS HBx A 46 LYS HEx 1.0 1.8 4.94 848 638 A 46 LYS HEy A 46 LYS HBx 1.0 1.8 4.94 849 638 A 46 LYS HBy A 46 LYS HEy 1.0 1.8 4.94 850 639 A 46 LYS HZ% A 46 LYS HBx 1.0 1.8 7.32 851 639 A 46 LYS HBy A 46 LYS HZ% 1.0 1.8 7.32 852 640 A 46 LYS HZ% A 46 LYS HGx 1.0 1.8 7.32 853 640 A 46 LYS HGy A 46 LYS HZ% 1.0 1.8 7.32 stop_ save_ save_Discover_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode Discover_distance_constraints_3 _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 ILE H A 8 THR O 1.0 1.8 2.0 2 2 A 8 THR O A 12 ILE N 1.0 1.8 3.0 3 3 A 13 TYR H A 9 GLY O 1.0 1.8 2.0 4 4 A 9 GLY O A 13 TYR N 1.0 1.8 3.0 5 5 A 14 ASN H A 10 ARG O 1.0 1.8 2.0 6 6 A 10 ARG O A 14 ASN N 1.0 1.8 3.0 7 7 A 15 THR H A 11 ASN O 1.0 1.8 2.0 8 8 A 11 ASN O A 15 THR N 1.0 1.8 3.0 9 9 A 16 CYS H A 12 ILE O 1.0 1.8 2.0 10 10 A 12 ILE O A 16 CYS N 1.0 1.8 3.0 11 11 A 17 ARG H A 13 TYR O 1.0 1.8 2.0 12 12 A 13 TYR O A 17 ARG N 1.0 1.8 3.0 13 13 A 26 CYS H A 22 SER O 1.0 1.8 2.0 14 14 A 22 SER O A 26 CYS N 1.0 1.8 3.0 15 15 A 27 ALA H A 23 ARG O 1.0 1.8 2.0 16 16 A 23 ARG O A 27 ALA N 1.0 1.8 3.0 17 17 A 28 LYS H A 24 GLU O 1.0 1.8 2.0 18 18 A 24 GLU O A 28 LYS N 1.0 1.8 3.0 19 19 A 29 LEU H A 25 ARG O 1.0 1.8 2.0 20 20 A 25 ARG O A 29 LEU N 1.0 1.8 3.0 21 21 A 31 GLY H A 27 ALA O 1.0 1.8 2.0 22 22 A 27 ALA O A 31 GLY N 1.0 1.8 3.0 23 23 A 33 LYS H A 3 CYS O 1.0 1.8 2.0 24 24 A 3 CYS O A 33 LYS N 1.0 1.8 3.0 stop_ save_ save_Discover_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode Discover_dihedral_4 _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 3 CYS C A 4 CYS N A 4 CYS CA A 4 CYS C 1.0 -163.0 -103.0 PHI 2 2 A 6 ASN C A 7 THR N A 7 THR CA A 7 THR C 1.0 -85.0 -25.0 PHI 3 3 A 10 ARG C A 11 ASN N A 11 ASN CA A 11 ASN C 1.0 -85.0 -25.0 PHI 4 4 A 11 ASN C A 12 ILE N A 12 ILE CA A 12 ILE C 1.0 -85.0 -25.0 PHI 5 5 A 13 TYR C A 14 ASN N A 14 ASN CA A 14 ASN C 1.0 -85.0 -25.0 PHI 6 6 A 14 ASN C A 15 THR N A 15 THR CA A 15 THR C 1.0 -85.0 -25.0 PHI 7 7 A 16 CYS C A 17 ARG N A 17 ARG CA A 17 ARG C 1.0 -85.0 -25.0 PHI 8 8 A 23 ARG C A 24 GLU N A 24 GLU CA A 24 GLU C 1.0 -85.0 -25.0 PHI 9 9 A 24 GLU C A 25 ARG N A 25 ARG CA A 25 ARG C 1.0 -85.0 -25.0 PHI 10 10 A 25 ARG C A 26 CYS N A 26 CYS CA A 26 CYS C 1.0 -85.0 -25.0 PHI 11 11 A 26 CYS C A 27 ALA N A 27 ALA CA A 27 ALA C 1.0 -85.0 -25.0 PHI 12 12 A 27 ALA C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -85.0 -25.0 PHI 13 13 A 32 CYS C A 33 LYS N A 33 LYS CA A 33 LYS C 1.0 -163.0 -103.0 PHI 14 14 A 33 LYS C A 34 ILE N A 34 ILE CA A 34 ILE C 1.0 -168.0 -108.0 PHI 15 15 A 34 ILE C A 35 ILE N A 35 ILE CA A 35 ILE C 1.0 -168.0 -108.0 PHI 16 16 A 38 SER C A 39 THR N A 39 THR CA A 39 THR C 1.0 -163.0 -103.0 PHI 17 17 A 41 PRO C A 42 SER N A 42 SER CA A 42 SER C 1.0 -73.0 -23.0 PHI 18 18 A 45 PRO C A 46 LYS N A 46 LYS CA A 46 LYS C 1.0 -163.0 -103.0 PHI stop_ save_