data_nef_c25934_2nab 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 BMRB 25933 PDB 2NAB 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 30 HIS NE2 2 1 ZN ZN 1 17 CYS SG 2 1 ZN ZN 1 14 CYS SG 2 1 ZN ZN 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 GLY start . false 2 A 2 ALA middle . . 3 A 3 MET middle . . 4 A 4 GLU middle . . 5 A 5 VAL middle . . 6 A 6 GLN middle . . 7 A 7 THR middle . . 8 A 8 SER middle . . 9 A 9 GLN middle . . 10 A 10 LYS middle . . 11 A 11 SER middle . . 12 A 12 TYR middle . . 13 A 13 VAL middle . . 14 A 14 CYS middle -HG . 15 A 15 PRO middle . false 16 A 16 ASN middle . . 17 A 17 CYS middle -HG . 18 A 18 GLY middle . false 19 A 19 LYS middle . . 20 A 20 ILE middle . . 21 A 21 PHE middle . . 22 A 22 ARG middle . . 23 A 23 TRP middle . . 24 A 24 ARG middle . . 25 A 25 VAL middle . . 26 A 26 ASN middle . . 27 A 27 PHE middle . . 28 A 28 ILE middle . . 29 A 29 ARG middle . . 30 A 30 HIS middle -HE2 . 31 A 31 LEU middle . . 32 A 32 ARG middle . . 33 A 33 SER middle . . 34 A 34 ARG middle . . 35 A 35 ARG middle . . 36 A 36 GLU middle . . 37 A 37 GLN middle . . 38 A 38 LYS middle . . 39 A 39 PRO middle . false 40 A 40 HIS middle . . 41 A 41 LYS end . . 42 B 1 ZN . . . 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 5 VAL H H 1 8.326 0.004 A 5 VAL HA H 1 4.134 0.001 A 5 VAL HB H 1 2.065 0.000 A 5 VAL HG1% H 1 0.953 0.003 A 5 VAL HG2% H 1 0.953 0.003 A 5 VAL N N 15 122.612 0.000 A 6 GLN H H 1 8.635 0.001 A 6 GLN HA H 1 4.454 0.000 A 6 GLN HBy H 1 2.147 0.000 A 6 GLN HBx H 1 2.016 0.000 A 6 GLN HG2 H 1 2.404 0.000 A 6 GLN HG3 H 1 2.404 0.000 A 6 GLN N N 15 125.548 0.000 A 7 THR H H 1 8.307 0.000 A 7 THR HA H 1 4.394 0.000 A 7 THR HB H 1 4.275 0.000 A 7 THR HG2% H 1 1.223 0.000 A 7 THR N N 15 116.430 0.000 A 8 SER H H 1 8.345 0.011 A 8 SER HA H 1 4.467 0.000 A 8 SER HBx H 1 3.843 0.000 A 8 SER HBy H 1 3.848 0.000 A 8 SER N N 15 118.551 0.000 A 9 GLN H H 1 8.338 0.003 A 9 GLN HA H 1 4.280 0.000 A 9 GLN HBy H 1 1.998 0.000 A 9 GLN HBx H 1 1.901 0.000 A 9 GLN HGx H 1 2.255 0.000 A 9 GLN HGy H 1 2.280 0.000 A 9 GLN N N 15 123.019 0.000 A 10 LYS H H 1 8.258 0.004 A 10 LYS HA H 1 4.199 0.000 A 10 LYS HB2 H 1 1.616 0.005 A 10 LYS HB3 H 1 1.616 0.005 A 10 LYS HDy H 1 2.893 0.000 A 10 LYS HDx H 1 1.657 0.000 A 10 LYS HG2 H 1 1.271 0.003 A 10 LYS HG3 H 1 1.271 0.003 A 10 LYS N N 15 123.679 0.000 A 11 SER H H 1 7.659 0.002 A 11 SER HA H 1 4.534 0.006 A 11 SER HBy H 1 3.563 0.003 A 11 SER HBx H 1 3.500 0.005 A 11 SER N N 15 115.557 0.000 A 12 TYR H H 1 8.585 0.004 A 12 TYR HA H 1 4.220 0.004 A 12 TYR HBx H 1 1.463 0.004 A 12 TYR HBy H 1 2.264 0.006 A 12 TYR HDx H 1 6.668 0.017 A 12 TYR HDy H 1 6.668 0.017 A 12 TYR HEx H 1 6.732 0.018 A 12 TYR HEy H 1 6.732 0.018 A 12 TYR N N 15 122.532 0.000 A 13 VAL H H 1 8.253 0.004 A 13 VAL HA H 1 4.801 0.001 A 13 VAL HB H 1 1.819 0.000 A 13 VAL HGx% H 1 0.756 0.010 A 13 VAL HGy% H 1 0.784 0.015 A 13 VAL N N 15 123.674 0.000 A 14 CYS H H 1 9.362 0.005 A 14 CYS HA H 1 5.078 0.007 A 14 CYS HBy H 1 3.566 0.007 A 14 CYS HBx H 1 3.093 0.007 A 14 CYS N N 15 131.181 0.000 A 15 PRO HA H 1 2.458 0.003 A 15 PRO HBy H 1 4.590 0.001 A 15 PRO HBx H 1 2.113 0.002 A 15 PRO HDx H 1 4.422 0.007 A 15 PRO HDy H 1 4.425 0.005 A 15 PRO HGy H 1 2.264 0.004 A 15 PRO HGx H 1 2.113 0.002 A 16 ASN H H 1 9.104 0.002 A 16 ASN HA H 1 4.889 0.001 A 16 ASN HBy H 1 2.965 0.002 A 16 ASN HBx H 1 2.869 0.006 A 16 ASN HD21 H 1 7.221 0.000 A 16 ASN HD22 H 1 7.220 0.001 A 16 ASN N N 15 119.946 0.000 A 17 CYS H H 1 8.202 0.003 A 17 CYS HA H 1 5.136 0.004 A 17 CYS HBx H 1 3.090 0.007 A 17 CYS HBy H 1 3.334 0.005 A 17 CYS N N 15 117.298 0.000 A 18 GLY H H 1 8.092 0.002 A 18 GLY HAx H 1 3.777 0.002 A 18 GLY HAy H 1 4.160 0.004 A 18 GLY N N 15 113.723 0.000 A 19 LYS H H 1 8.396 0.008 A 19 LYS HA H 1 3.963 0.005 A 19 LYS HBx H 1 1.235 0.007 A 19 LYS HBy H 1 1.681 0.015 A 19 LYS HDy H 1 1.504 0.005 A 19 LYS HDx H 1 1.321 0.007 A 19 LYS HEx H 1 2.792 0.002 A 19 LYS HEy H 1 2.885 0.003 A 19 LYS HGy H 1 0.744 0.017 A 19 LYS HGx H 1 0.743 0.018 A 19 LYS N N 15 124.529 0.000 A 20 ILE H H 1 7.793 0.002 A 20 ILE HA H 1 4.619 0.003 A 20 ILE HB H 1 1.500 0.005 A 20 ILE HD1% H 1 0.730 0.005 A 20 ILE HG1x H 1 0.805 0.002 A 20 ILE HG1y H 1 0.806 0.003 A 20 ILE HG2% H 1 0.927 0.001 A 20 ILE N N 15 122.902 0.000 A 21 PHE H H 1 9.361 0.006 A 21 PHE HA H 1 4.760 0.011 A 21 PHE HBx H 1 2.820 0.005 A 21 PHE HBy H 1 3.438 0.008 A 21 PHE HDx H 1 7.477 0.005 A 21 PHE HDy H 1 7.477 0.005 A 21 PHE HEx H 1 6.972 0.005 A 21 PHE HEy H 1 6.972 0.005 A 21 PHE HZ H 1 6.212 0.006 A 21 PHE N N 15 126.244 0.000 A 22 ARG H H 1 9.016 0.004 A 22 ARG HA H 1 4.407 0.005 A 22 ARG HBx H 1 1.440 0.003 A 22 ARG HBy H 1 1.569 0.009 A 22 ARG HDx H 1 2.847 0.011 A 22 ARG HDy H 1 2.969 0.000 A 22 ARG HE H 1 6.930 0.000 A 22 ARG HGx H 1 1.102 0.013 A 22 ARG HGy H 1 1.103 0.014 A 22 ARG N N 15 125.051 0.000 A 23 TRP H H 1 7.986 0.008 A 23 TRP HA H 1 5.328 0.003 A 23 TRP HBy H 1 3.554 0.005 A 23 TRP HBx H 1 3.290 0.007 A 23 TRP HD1 H 1 7.566 0.004 A 23 TRP HE1 H 1 10.266 0.002 A 23 TRP HE3 H 1 7.946 0.005 A 23 TRP HH2 H 1 7.285 0.005 A 23 TRP HZ2 H 1 7.526 0.004 A 23 TRP HZ3 H 1 7.246 0.002 A 23 TRP N N 15 118.871 0.000 A 23 TRP NE1 N 15 129.951 0.000 A 24 ARG H H 1 9.358 0.003 A 24 ARG HA H 1 3.041 0.002 A 24 ARG HBx H 1 1.770 0.007 A 24 ARG HBy H 1 1.770 0.007 A 24 ARG HDx H 1 3.181 0.001 A 24 ARG HDy H 1 3.181 0.001 A 24 ARG HG2 H 1 1.125 0.005 A 24 ARG HG3 H 1 1.125 0.005 A 24 ARG N N 15 130.190 0.000 A 25 VAL H H 1 8.598 0.004 A 25 VAL HA H 1 3.802 0.001 A 25 VAL HB H 1 1.940 0.001 A 25 VAL HGx% H 1 0.967 0.003 A 25 VAL HGy% H 1 0.943 0.017 A 25 VAL N N 15 115.735 0.000 A 26 ASN H H 1 6.907 0.003 A 26 ASN HA H 1 4.613 0.005 A 26 ASN HBy H 1 3.516 0.005 A 26 ASN HBx H 1 3.174 0.002 A 26 ASN HD21 H 1 7.485 0.001 A 26 ASN HD22 H 1 8.639 0.008 A 26 ASN N N 15 119.272 0.000 A 26 ASN ND2 N 15 116.045 0.000 A 27 PHE H H 1 7.487 0.002 A 27 PHE HA H 1 3.013 0.016 A 27 PHE HBy H 1 2.877 0.009 A 27 PHE HBx H 1 2.612 0.006 A 27 PHE HDx H 1 6.813 0.012 A 27 PHE HDy H 1 6.813 0.012 A 27 PHE HEx H 1 7.482 0.004 A 27 PHE HEy H 1 7.482 0.004 A 27 PHE HZ H 1 7.317 0.005 A 27 PHE N N 15 124.971 0.000 A 28 ILE H H 1 8.458 0.001 A 28 ILE HA H 1 3.277 0.004 A 28 ILE HB H 1 1.839 0.012 A 28 ILE HD1% H 1 0.697 0.003 A 28 ILE HG1x H 1 1.356 0.002 A 28 ILE HG1y H 1 1.468 0.000 A 28 ILE HG2% H 1 0.815 0.004 A 28 ILE N N 15 119.280 0.000 A 29 ARG H H 1 7.577 0.004 A 29 ARG HA H 1 3.900 0.001 A 29 ARG HBy H 1 1.904 0.007 A 29 ARG HBx H 1 1.825 0.007 A 29 ARG HD2 H 1 3.237 0.000 A 29 ARG HD3 H 1 3.237 0.000 A 29 ARG HE H 1 7.218 0.000 A 29 ARG HGy H 1 1.664 0.004 A 29 ARG HGx H 1 1.575 0.000 A 29 ARG N N 15 119.668 0.000 A 30 HIS H H 1 7.620 0.003 A 30 HIS HA H 1 4.258 0.018 A 30 HIS HBy H 1 3.209 0.009 A 30 HIS HBx H 1 3.024 0.006 A 30 HIS HD2 H 1 6.969 0.006 A 30 HIS HE1 H 1 8.157 0.004 A 30 HIS N N 15 120.050 0.000 A 31 LEU H H 1 8.005 0.004 A 31 LEU HA H 1 3.773 0.004 A 31 LEU HBx H 1 1.305 0.011 A 31 LEU HBy H 1 1.585 0.003 A 31 LEU HDx% H 1 0.407 0.005 A 31 LEU HDy% H 1 0.792 0.007 A 31 LEU HG H 1 1.253 0.008 A 31 LEU N N 15 120.143 0.000 A 32 ARG H H 1 7.975 0.003 A 32 ARG HA H 1 4.066 0.001 A 32 ARG HBx H 1 1.809 0.004 A 32 ARG HBy H 1 1.894 0.003 A 32 ARG HDx H 1 3.109 0.000 A 32 ARG HDy H 1 3.120 0.014 A 32 ARG HE H 1 7.204 0.000 A 32 ARG HGx H 1 1.626 0.000 A 32 ARG HGy H 1 1.725 0.000 A 32 ARG N N 15 118.157 0.000 A 33 SER H H 1 7.754 0.001 A 33 SER HA H 1 4.327 0.004 A 33 SER HBx H 1 3.941 0.000 A 33 SER HBy H 1 3.954 0.000 A 33 SER N N 15 115.082 0.000 A 34 ARG H H 1 7.558 0.004 A 34 ARG HA H 1 4.190 0.002 A 34 ARG HBx H 1 1.808 0.003 A 34 ARG HBy H 1 1.810 0.003 A 34 ARG HDx H 1 2.912 0.000 A 34 ARG HDy H 1 3.132 0.006 A 34 ARG HE H 1 7.155 0.000 A 34 ARG HGx H 1 1.589 0.004 A 34 ARG HGy H 1 1.723 0.005 A 34 ARG N N 15 121.862 0.000 A 35 ARG H H 1 8.030 0.002 A 35 ARG HA H 1 4.284 0.001 A 35 ARG HB2 H 1 1.803 0.000 A 35 ARG HB3 H 1 1.803 0.000 A 35 ARG HDx H 1 2.999 0.000 A 35 ARG HDy H 1 3.215 0.000 A 35 ARG HE H 1 7.227 0.000 A 35 ARG HGy H 1 1.663 0.000 A 35 ARG HGx H 1 1.638 0.000 A 35 ARG N N 15 121.550 0.000 A 36 GLU H H 1 8.274 0.001 A 36 GLU HA H 1 4.318 0.000 A 36 GLU HBx H 1 1.980 0.000 A 36 GLU HBy H 1 2.089 0.000 A 36 GLU HGy H 1 2.389 0.000 A 36 GLU HGx H 1 2.383 0.004 A 36 GLU N N 15 122.012 0.000 A 37 GLN H H 1 8.238 0.004 A 37 GLN HA H 1 4.269 0.000 A 37 GLN HBx H 1 1.935 0.000 A 37 GLN HBy H 1 2.040 0.009 A 37 GLN HGx H 1 2.215 0.000 A 37 GLN HGy H 1 2.264 0.000 A 37 GLN N N 15 121.601 0.000 A 38 LYS H H 1 8.348 0.000 A 38 LYS HA H 1 4.595 0.000 A 38 LYS HBx H 1 1.717 0.000 A 38 LYS HBy H 1 1.818 0.000 A 38 LYS HDx H 1 1.717 0.000 A 38 LYS HDy H 1 1.717 0.000 A 38 LYS HG2 H 1 1.452 0.000 A 38 LYS HG3 H 1 1.452 0.000 A 38 LYS N N 15 124.607 0.000 A 39 PRO HA H 1 4.416 0.000 A 39 PRO HBy H 1 2.282 0.000 A 39 PRO HBx H 1 1.838 0.000 A 39 PRO HDx H 1 3.648 0.000 A 39 PRO HDy H 1 3.812 0.000 A 39 PRO HGx H 1 2.012 0.000 A 39 PRO HGy H 1 2.012 0.000 A 40 HIS H H 1 8.565 0.000 A 40 HIS HA H 1 4.639 0.000 A 40 HIS HB2 H 1 3.184 0.000 A 40 HIS HB3 H 1 3.184 0.000 A 40 HIS HD2 H 1 7.187 0.000 A 40 HIS HE1 H 1 8.230 0.000 A 40 HIS N N 15 120.882 0.000 A 41 LYS H H 1 8.343 0.000 A 41 LYS N N 15 127.629 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 34 ARG H A 33 SER HA 1.0 1.919 4.467 2 2 A 34 ARG H A 33 SER H 1.0 1.842 3.908 3 3 A 34 ARG H A 33 SER HBx 1.0 1.989 5.433 4 4 A 34 ARG H A 35 ARG H 1.0 1.947 4.747 5 5 A 30 HIS HD2 A 31 LEU HA 1.0 1.919 4.471 6 6 A 30 HIS HD2 A 14 CYS HA 1.0 2.000 6.114 7 7 A 16 ASN H A 14 CYS HBy 1.0 1.949 7.323 8 8 A 24 ARG H A 23 TRP HBy 1.0 1.997 5.677 9 9 A 25 VAL H A 25 VAL HGx% 1.0 1.776 3.546 10 10 A 25 VAL H A 25 VAL HGy% 1.0 1.773 3.531 11 11 A 28 ILE H A 28 ILE HG2% 1.0 1.977 5.169 12 12 A 28 ILE H A 28 ILE HD1% 1.0 2.000 5.870 13 13 A 27 PHE HZ A 31 LEU HDx% 1.0 1.835 3.871 14 14 A 31 LEU HDx% A 31 LEU H 1.0 1.961 7.149 15 15 A 31 LEU HDx% A 32 ARG H 1.0 1.975 6.929 16 16 A 28 ILE H A 31 LEU HDx% 1.0 1.945 7.375 17 17 A 23 TRP HD1 A 23 TRP HA 1.0 1.977 5.169 18 18 A 11 SER H A 11 SER HA 1.0 1.865 4.053 19 19 A 11 SER H A 10 LYS HA 1.0 1.626 2.912 20 20 A 12 TYR H A 12 TYR HA 1.0 1.879 4.155 21 21 A 11 SER HA A 12 TYR H 1.0 1.680 3.122 22 22 A 11 SER H A 11 SER HBx 1.0 1.937 4.647 23 23 A 11 SER H A 11 SER HBy 1.0 1.918 4.462 24 24 A 12 TYR H A 11 SER HBx 1.0 1.957 4.863 25 25 A 12 TYR H A 11 SER HBy 1.0 1.914 4.428 26 26 A 25 VAL H A 25 VAL HA 1.0 1.763 3.483 27 27 A 11 SER H A 12 TYR HBy 1.0 1.992 6.514 28 28 A 11 SER HA A 12 TYR HEy 1.0 1.998 5.716 29 28 A 11 SER HA A 12 TYR HEx 1.0 1.998 5.716 30 29 A 11 SER HA A 12 TYR HDy 1.0 1.981 5.253 31 29 A 11 SER HA A 12 TYR HDx 1.0 1.981 5.253 32 30 A 11 SER H A 12 TYR HA 1.0 1.667 6.000 33 31 A 12 TYR HA A 12 TYR HEy 1.0 1.978 5.182 34 31 A 12 TYR HA A 12 TYR HEx 1.0 1.978 5.182 35 32 A 23 TRP HA A 12 TYR HEy 1.0 1.985 5.315 36 32 A 23 TRP HA A 12 TYR HEx 1.0 1.985 5.315 37 33 A 12 TYR HEy A 22 ARG HA 1.0 2.000 5.890 38 33 A 12 TYR HEx A 22 ARG HA 1.0 2.000 5.890 39 34 A 12 TYR HDy A 22 ARG HA 1.0 1.992 5.488 40 34 A 12 TYR HDx A 22 ARG HA 1.0 1.992 5.488 41 35 A 12 TYR HA A 12 TYR HDy 1.0 1.884 4.190 42 35 A 12 TYR HA A 12 TYR HDx 1.0 1.884 4.190 43 36 A 12 TYR HDy A 21 PHE HBx 1.0 2.000 6.042 44 36 A 12 TYR HDx A 21 PHE HBx 1.0 2.000 6.042 45 37 A 12 TYR HDy A 24 ARG HA 1.0 1.963 4.939 46 37 A 12 TYR HDx A 24 ARG HA 1.0 1.963 4.939 47 38 A 12 TYR HEy A 24 ARG HA 1.0 1.954 4.826 48 38 A 12 TYR HEx A 24 ARG HA 1.0 1.954 4.826 49 39 A 12 TYR HEy A 27 PHE HBx 1.0 1.999 5.849 50 39 A 12 TYR HEx A 27 PHE HBx 1.0 1.999 5.849 51 40 A 12 TYR HDy A 21 PHE HBy 1.0 1.975 5.131 52 40 A 12 TYR HDx A 21 PHE HBy 1.0 1.975 5.131 53 41 A 12 TYR HBy A 12 TYR HDy 1.0 1.770 3.518 54 41 A 12 TYR HBy A 12 TYR HDx 1.0 1.770 3.518 55 42 A 12 TYR HBy A 12 TYR HEy 1.0 1.908 4.376 56 42 A 12 TYR HBy A 12 TYR HEx 1.0 1.908 4.376 57 43 A 12 TYR HDy A 27 PHE HBy 1.0 1.995 5.605 58 43 A 12 TYR HDx A 27 PHE HBy 1.0 1.995 5.605 59 44 A 12 TYR HDy A 12 TYR HBx 1.0 1.791 3.627 60 44 A 12 TYR HDx A 12 TYR HBx 1.0 1.791 3.627 61 45 A 12 TYR HEy A 12 TYR HBx 1.0 1.934 4.606 62 45 A 12 TYR HEx A 12 TYR HBx 1.0 1.934 4.606 63 46 A 25 VAL HGy% A 23 TRP HE1 1.0 1.991 6.545 64 47 A 23 TRP HE1 A 22 ARG HBy 1.0 1.948 7.344 65 48 A 23 TRP HE1 A 22 ARG HBx 1.0 1.998 5.768 66 49 A 23 TRP HE1 A 22 ARG HDx 1.0 1.999 5.879 67 50 A 23 TRP HE1 A 22 ARG HDy 1.0 2.000 5.972 68 51 A 23 TRP HBy A 23 TRP HE1 1.0 1.992 6.530 69 52 A 23 TRP HE1 A 23 TRP HH2 1.0 1.974 6.948 70 53 A 23 TRP HD1 A 23 TRP HE1 1.0 1.651 3.009 71 54 A 12 TYR HA A 21 PHE H 1.0 1.999 6.183 72 55 A 14 CYS H A 14 CYS HBx 1.0 1.783 3.583 73 56 A 12 TYR H A 12 TYR HBy 1.0 1.833 3.855 74 57 A 12 TYR H A 12 TYR HBx 1.0 1.999 5.791 75 58 A 12 TYR H A 21 PHE H 1.0 1.849 3.955 76 59 A 21 PHE H A 20 ILE HB 1.0 2.000 5.882 77 60 A 12 TYR HA A 13 VAL H 1.0 1.610 2.858 78 61 A 12 TYR HBx A 13 VAL H 1.0 1.983 5.275 79 62 A 37 GLN H A 37 GLN HGy 1.0 1.889 4.223 80 63 A 13 VAL H A 13 VAL HB 1.0 1.750 3.424 81 64 A 36 GLU H A 36 GLU HBy 1.0 1.851 3.971 82 65 A 36 GLU H A 36 GLU HGy 1.0 1.946 4.750 83 66 A 37 GLN H A 37 GLN HBy 1.0 1.914 4.434 84 67 A 37 GLN H A 37 GLN HBx 1.0 1.874 4.120 85 68 A 9 GLN H A 9 GLN HGy 1.0 1.986 5.338 86 69 A 37 GLN HBy A 38 LYS H 1.0 1.810 3.722 87 70 A 12 TYR HDx A 27 PHE HEy 1.0 1.999 5.799 88 70 A 12 TYR HDy A 27 PHE HEy 1.0 1.999 5.799 89 70 A 12 TYR HDy A 27 PHE HEx 1.0 1.999 5.799 90 70 A 12 TYR HDx A 27 PHE HEx 1.0 1.999 5.799 91 71 A 12 TYR HBx A 27 PHE HEy 1.0 1.949 4.777 92 71 A 12 TYR HBx A 27 PHE HEx 1.0 1.949 4.777 93 72 A 12 TYR HBx A 27 PHE HDy 1.0 1.905 4.355 94 72 A 12 TYR HBx A 27 PHE HDx 1.0 1.905 4.355 95 73 A 27 PHE HZ A 12 TYR HBy 1.0 1.997 6.293 96 74 A 27 PHE HZ A 12 TYR HBx 1.0 1.954 4.836 97 75 A 12 TYR HBy A 21 PHE HDy 1.0 1.981 5.231 98 75 A 12 TYR HBy A 21 PHE HDx 1.0 1.981 5.231 99 76 A 24 ARG H A 12 TYR HEy 1.0 1.994 5.584 100 76 A 24 ARG H A 12 TYR HEx 1.0 1.994 5.584 101 77 A 12 TYR HDy A 21 PHE HDx 1.0 2.000 5.956 102 77 A 12 TYR HDx A 21 PHE HDy 1.0 2.000 5.956 103 77 A 12 TYR HDx A 21 PHE HDx 1.0 2.000 5.956 104 77 A 12 TYR HDy A 21 PHE HDy 1.0 2.000 5.956 105 78 A 27 PHE HZ A 12 TYR HDy 1.0 1.975 5.127 106 78 A 27 PHE HZ A 12 TYR HDx 1.0 1.975 5.127 107 79 A 12 TYR HDy A 23 TRP H 1.0 1.993 6.465 108 79 A 12 TYR HDx A 23 TRP H 1.0 1.993 6.465 109 80 A 12 TYR H A 12 TYR HDy 1.0 1.877 4.139 110 80 A 12 TYR H A 12 TYR HDx 1.0 1.877 4.139 111 81 A 12 TYR HDy A 13 VAL H 1.0 1.988 6.632 112 81 A 12 TYR HDx A 13 VAL H 1.0 1.988 6.632 113 82 A 12 TYR H A 12 TYR HEy 1.0 1.967 5.011 114 82 A 12 TYR H A 12 TYR HEx 1.0 1.967 5.011 115 83 A 12 TYR HDy A 21 PHE H 1.0 1.999 6.213 116 83 A 12 TYR HDx A 21 PHE H 1.0 1.999 6.213 117 84 A 12 TYR HEy A 21 PHE H 1.0 1.906 6.000 118 84 A 12 TYR HEx A 21 PHE H 1.0 1.906 6.000 119 85 A 24 ARG H A 23 TRP HA 1.0 1.763 3.481 120 86 A 23 TRP HA A 23 TRP HE3 1.0 1.807 3.711 121 87 A 23 TRP HA A 26 ASN H 1.0 1.989 6.609 122 88 A 12 TYR H A 20 ILE HD1% 1.0 1.978 5.170 123 89 A 25 VAL H A 24 ARG HA 1.0 1.993 5.529 124 90 A 22 ARG HDx A 22 ARG H 1.0 1.964 7.108 125 91 A 21 PHE HBx A 22 ARG H 1.0 1.922 4.496 126 92 A 14 CYS H A 19 LYS HBx 1.0 2.000 6.018 127 93 A 27 PHE HBy A 27 PHE H 1.0 1.728 3.320 128 94 A 12 TYR HDy A 27 PHE HBx 1.0 1.990 5.430 129 94 A 12 TYR HDx A 27 PHE HBx 1.0 1.990 5.430 130 95 A 23 TRP HA A 23 TRP H 1.0 1.835 3.869 131 96 A 14 CYS HA A 27 PHE HDy 1.0 1.999 5.855 132 96 A 14 CYS HA A 27 PHE HDx 1.0 1.999 5.855 133 97 A 14 CYS HA A 14 CYS H 1.0 1.862 4.038 134 98 A 14 CYS HA A 16 ASN H 1.0 1.999 6.203 135 99 A 14 CYS HA A 27 PHE HEy 1.0 1.961 4.927 136 99 A 14 CYS HA A 27 PHE HEx 1.0 1.961 4.927 137 100 A 14 CYS HA A 27 PHE HZ 1.0 1.728 3.320 138 101 A 16 ASN H A 15 PRO HDy 1.0 1.909 4.385 139 102 A 22 ARG HA A 22 ARG H 1.0 1.908 4.376 140 103 A 16 ASN H A 15 PRO HBx 1.0 1.987 5.371 141 104 A 21 PHE H A 20 ILE HA 1.0 1.611 2.861 142 105 A 14 CYS H A 13 VAL HB 1.0 1.897 4.291 143 106 A 14 CYS H A 13 VAL HGx% 1.0 1.739 3.371 144 107 A 14 CYS H A 18 GLY HAx 1.0 1.979 6.835 145 108 A 14 CYS HBy A 14 CYS H 1.0 1.728 3.322 146 109 A 21 PHE HBy A 21 PHE H 1.0 1.802 3.682 147 110 A 14 CYS H A 19 LYS HA 1.0 1.998 6.196 148 111 A 18 GLY H A 18 GLY HAy 1.0 1.773 3.531 149 112 A 18 GLY HAx A 18 GLY H 1.0 1.750 3.418 150 113 A 14 CYS HBx A 18 GLY H 1.0 1.928 4.556 151 114 A 14 CYS HBy A 18 GLY H 1.0 1.953 4.819 152 115 A 13 VAL HGx% A 18 GLY H 1.0 1.998 5.738 153 116 A 18 GLY H A 17 CYS HA 1.0 1.972 5.080 154 117 A 17 CYS HA A 17 CYS H 1.0 1.899 4.309 155 118 A 27 PHE HZ A 14 CYS H 1.0 1.992 5.480 156 119 A 14 CYS H A 19 LYS HBy 1.0 1.903 4.331 157 120 A 19 LYS HBy A 19 LYS H 1.0 1.731 3.333 158 121 A 16 ASN H A 16 ASN HBy 1.0 1.903 4.335 159 122 A 16 ASN H A 16 ASN HBx 1.0 1.858 4.012 160 123 A 16 ASN H A 14 CYS HBx 1.0 1.998 5.792 161 124 A 14 CYS HBx A 17 CYS H 1.0 1.931 4.589 162 125 A 17 CYS H A 16 ASN HBx 1.0 1.984 5.302 163 126 A 17 CYS H A 16 ASN HBy 1.0 1.905 4.351 164 127 A 14 CYS HBx A 19 LYS H 1.0 1.953 4.829 165 128 A 14 CYS HBy A 19 LYS H 1.0 1.916 4.446 166 129 A 19 LYS HBx A 19 LYS H 1.0 1.959 4.887 167 130 A 30 HIS HD2 A 14 CYS HBy 1.0 1.680 3.120 168 131 A 27 PHE HZ A 14 CYS HBx 1.0 1.997 6.301 169 132 A 14 CYS HBy A 27 PHE HZ 1.0 1.946 4.738 170 133 A 27 PHE HZ A 27 PHE HBx 1.0 1.995 6.000 171 134 A 16 ASN HBy A 16 ASN HD21 1.0 1.991 6.515 172 135 A 16 ASN HBx A 16 ASN HD22 1.0 1.947 7.363 173 136 A 30 HIS HD2 A 14 CYS HBx 1.0 1.844 3.924 174 137 A 30 HIS HE1 A 21 PHE HEy 1.0 1.999 6.171 175 137 A 30 HIS HE1 A 21 PHE HEx 1.0 1.999 6.171 176 138 A 15 PRO HBx A 15 PRO HA 1.0 1.869 4.083 177 139 A 15 PRO HBx A 15 PRO HGx 1.0 1.900 4.316 178 140 A 15 PRO HBx A 15 PRO HBy 1.0 1.772 3.524 179 141 A 16 ASN H A 16 ASN HA 1.0 1.919 4.475 180 142 A 16 ASN H A 18 GLY H 1.0 2.000 5.938 181 143 A 40 HIS H A 39 PRO HA 1.0 1.907 4.371 182 144 A 31 LEU HA A 31 LEU HDx% 1.0 1.945 4.733 183 145 A 31 LEU HA A 31 LEU HBx 1.0 1.847 3.941 184 146 A 31 LEU HA A 31 LEU HG 1.0 1.904 4.350 185 147 A 7 THR HG2% A 7 THR HA 1.0 1.878 4.144 186 148 A 16 ASN H A 15 PRO HA 1.0 1.999 6.237 187 149 A 16 ASN H A 15 PRO HGx 1.0 1.999 6.187 188 150 A 12 TYR HBy A 21 PHE H 1.0 1.957 4.875 189 151 A 28 ILE H A 27 PHE HBx 1.0 1.965 4.975 190 152 A 17 CYS H A 16 ASN HA 1.0 1.980 5.218 191 153 A 22 ARG HBx A 22 ARG H 1.0 1.827 3.821 192 154 A 22 ARG HBy A 22 ARG H 1.0 1.876 4.136 193 155 A 27 PHE HBx A 27 PHE HDy 1.0 1.778 3.554 194 155 A 27 PHE HBx A 27 PHE HDx 1.0 1.778 3.554 195 156 A 27 PHE HBx A 21 PHE HEy 1.0 1.988 5.398 196 156 A 27 PHE HBx A 21 PHE HEx 1.0 1.988 5.398 197 157 A 16 ASN HBy A 15 PRO HDx 1.0 1.997 6.303 198 158 A 16 ASN HBx A 15 PRO HDx 1.0 2.000 5.928 199 159 A 23 TRP H A 22 ARG H 1.0 1.790 3.616 200 160 A 21 PHE H A 20 ILE H 1.0 1.991 6.515 201 161 A 24 ARG H A 23 TRP HE3 1.0 1.998 6.218 202 162 A 14 CYS H A 13 VAL H 1.0 1.999 5.893 203 163 A 14 CYS H A 18 GLY H 1.0 1.997 5.677 204 164 A 14 CYS H A 19 LYS H 1.0 1.974 5.108 205 165 A 21 PHE HDy A 22 ARG H 1.0 1.996 6.380 206 165 A 21 PHE HDx A 22 ARG H 1.0 1.996 6.380 207 166 A 6 GLN H A 5 VAL HA 1.0 1.783 3.579 208 167 A 26 ASN HD21 A 26 ASN HBx 1.0 1.803 3.685 209 168 A 23 TRP HBy A 26 ASN HD21 1.0 1.988 5.394 210 169 A 26 ASN HD21 A 26 ASN HBy 1.0 1.834 3.862 211 170 A 6 GLN H A 6 GLN HBy 1.0 1.928 4.548 212 171 A 6 GLN H A 6 GLN HBx 1.0 1.977 5.165 213 172 A 6 GLN H A 6 GLN HA 1.0 1.926 4.528 214 173 A 26 ASN H A 26 ASN HD21 1.0 1.961 4.927 215 174 A 23 TRP H A 26 ASN HD21 1.0 1.887 8.017 216 175 A 6 GLN H A 5 VAL H 1.0 1.963 4.951 217 176 A 21 PHE HBx A 21 PHE H 1.0 1.997 5.691 218 177 A 34 ARG HGy A 34 ARG HA 1.0 1.883 4.181 219 178 A 34 ARG HA A 34 ARG HBy 1.0 1.876 4.128 220 179 A 32 ARG HBx A 32 ARG HA 1.0 1.867 4.071 221 180 A 32 ARG HA A 32 ARG HBy 1.0 1.858 4.010 222 181 A 32 ARG HA A 32 ARG HGx 1.0 1.905 4.357 223 182 A 32 ARG HA A 32 ARG HGy 1.0 1.909 4.391 224 183 A 17 CYS H A 17 CYS HBy 1.0 1.967 4.995 225 184 A 17 CYS H A 15 PRO HGx 1.0 1.970 7.006 226 185 A 18 GLY HAx A 17 CYS H 1.0 1.961 7.155 227 186 A 18 GLY HAy A 17 CYS H 1.0 1.926 7.614 228 187 A 17 CYS H A 19 LYS HGy 1.0 1.986 6.696 229 188 A 16 ASN H A 17 CYS H 1.0 1.776 3.548 230 189 A 37 GLN H A 36 GLU HGy 1.0 2.000 6.124 231 190 A 17 CYS HA A 17 CYS HBy 1.0 1.841 3.905 232 191 A 17 CYS HA A 17 CYS HBx 1.0 1.802 3.682 233 192 A 22 ARG HA A 23 TRP H 1.0 1.967 5.009 234 193 A 19 LYS H A 17 CYS HBy 1.0 1.997 5.689 235 194 A 18 GLY HAx A 19 LYS H 1.0 1.976 5.148 236 195 A 25 VAL H A 23 TRP HA 1.0 1.991 6.541 237 196 A 18 GLY HAy A 19 LYS H 1.0 1.980 5.226 238 197 A 19 LYS HA A 19 LYS H 1.0 1.837 3.877 239 198 A 23 TRP HE1 A 23 TRP HZ2 1.0 1.836 3.872 240 199 A 8 SER H A 8 SER HBy 1.0 1.913 4.417 241 200 A 18 GLY H A 19 LYS H 1.0 1.829 3.837 242 201 A 19 LYS H A 20 ILE H 1.0 1.976 6.890 243 202 A 13 VAL HGx% A 18 GLY HAx 1.0 1.907 4.365 244 203 A 13 VAL HGx% A 18 GLY HAy 1.0 1.872 4.104 245 204 A 19 LYS HGx A 19 LYS HEx 1.0 1.974 5.112 246 205 A 19 LYS HGy A 19 LYS HEy 1.0 1.979 5.207 247 206 A 30 HIS HE1 A 19 LYS HDy 1.0 2.000 6.036 248 207 A 30 HIS HE1 A 19 LYS HDx 1.0 1.940 4.674 249 208 A 30 HIS HE1 A 21 PHE HZ 1.0 1.996 5.638 250 209 A 28 ILE H A 29 ARG H 1.0 1.826 3.812 251 210 A 19 LYS H A 19 LYS HDy 1.0 1.999 6.155 252 211 A 19 LYS HA A 19 LYS HGx 1.0 1.937 4.637 253 212 A 20 ILE HA A 20 ILE H 1.0 1.906 4.362 254 213 A 19 LYS HBy A 20 ILE H 1.0 1.920 4.486 255 214 A 20 ILE HB A 20 ILE H 1.0 1.707 3.231 256 215 A 20 ILE H A 19 LYS HDy 1.0 1.972 5.084 257 216 A 19 LYS HBx A 20 ILE H 1.0 1.915 4.437 258 217 A 20 ILE H A 20 ILE HG2% 1.0 1.931 4.585 259 218 A 20 ILE HD1% A 20 ILE H 1.0 1.932 4.598 260 219 A 19 LYS HBy A 21 PHE HEy 1.0 1.957 4.867 261 219 A 19 LYS HBy A 21 PHE HEx 1.0 1.957 4.867 262 220 A 19 LYS HBy A 21 PHE HZ 1.0 1.996 5.656 263 221 A 19 LYS HBx A 21 PHE HEy 1.0 1.866 4.060 264 221 A 19 LYS HBx A 21 PHE HEx 1.0 1.866 4.060 265 222 A 19 LYS HBx A 21 PHE HZ 1.0 1.974 5.102 266 223 A 19 LYS HDy A 21 PHE HZ 1.0 1.878 4.146 267 224 A 21 PHE HEy A 19 LYS HDy 1.0 1.958 4.876 268 224 A 21 PHE HEx A 19 LYS HDy 1.0 1.958 4.876 269 225 A 19 LYS HA A 20 ILE H 1.0 1.567 2.709 270 226 A 19 LYS HBx A 19 LYS HA 1.0 1.815 3.753 271 227 A 19 LYS HA A 19 LYS HDy 1.0 1.962 4.930 272 228 A 19 LYS HA A 19 LYS HBy 1.0 1.821 3.781 273 229 A 19 LYS HA A 19 LYS HDx 1.0 2.000 5.864 274 230 A 21 PHE H A 20 ILE HG2% 1.0 1.995 5.591 275 231 A 28 ILE HG2% A 29 ARG H 1.0 1.968 5.032 276 232 A 27 PHE HDx A 31 LEU HDy% 1.0 1.930 4.568 277 232 A 27 PHE HDy A 31 LEU HDy% 1.0 1.930 4.568 278 233 A 27 PHE HEy A 31 LEU HG 1.0 1.984 5.312 279 233 A 27 PHE HEx A 31 LEU HG 1.0 1.984 5.312 280 234 A 20 ILE H A 19 LYS HGy 1.0 1.993 5.547 281 235 A 25 VAL HGx% A 28 ILE H 1.0 1.982 6.772 282 236 A 28 ILE H A 28 ILE HG1y 1.0 1.767 3.501 283 237 A 28 ILE H A 28 ILE HG1x 1.0 1.988 5.382 284 238 A 28 ILE H A 28 ILE HB 1.0 1.717 3.271 285 239 A 28 ILE H A 27 PHE HBy 1.0 1.918 4.458 286 240 A 28 ILE H A 27 PHE HA 1.0 1.963 4.943 287 241 A 28 ILE H A 28 ILE HA 1.0 1.825 3.811 288 242 A 25 VAL H A 25 VAL HB 1.0 1.758 6.000 289 243 A 21 PHE HBx A 21 PHE HDy 1.0 1.724 3.304 290 243 A 21 PHE HBx A 21 PHE HDx 1.0 1.724 3.304 291 244 A 31 LEU HDx% A 27 PHE HEx 1.0 1.878 4.144 292 244 A 31 LEU HDx% A 27 PHE HEy 1.0 1.878 4.144 293 245 A 23 TRP HBy A 25 VAL H 1.0 1.974 5.102 294 246 A 25 VAL H A 26 ASN HBx 1.0 1.993 6.493 295 247 A 28 ILE H A 25 VAL HA 1.0 1.947 4.755 296 248 A 29 ARG H A 26 ASN HA 1.0 1.937 4.651 297 249 A 21 PHE HDy A 20 ILE HA 1.0 1.910 4.392 298 249 A 21 PHE HDx A 20 ILE HA 1.0 1.910 4.392 299 250 A 26 ASN H A 26 ASN HA 1.0 1.818 3.768 300 251 A 27 PHE HDy A 30 HIS HA 1.0 1.921 7.673 301 251 A 27 PHE HDx A 30 HIS HA 1.0 1.921 7.673 302 252 A 21 PHE HZ A 30 HIS H 1.0 1.918 7.704 303 253 A 21 PHE HDy A 21 PHE HZ 1.0 1.964 4.970 304 253 A 21 PHE HDx A 21 PHE HZ 1.0 1.964 4.970 305 254 A 21 PHE HEy A 21 PHE HZ 1.0 1.719 3.281 306 254 A 21 PHE HEx A 21 PHE HZ 1.0 1.719 3.281 307 255 A 21 PHE HDy A 21 PHE HEx 1.0 1.636 2.954 308 255 A 21 PHE HDy A 21 PHE HEy 1.0 1.636 2.954 309 255 A 21 PHE HDx A 21 PHE HEy 1.0 1.636 2.954 310 255 A 21 PHE HDx A 21 PHE HEx 1.0 1.636 2.954 311 256 A 27 PHE HEy A 27 PHE HDy 1.0 1.779 3.563 312 256 A 27 PHE HEy A 27 PHE HDx 1.0 1.779 3.563 313 256 A 27 PHE HEx A 27 PHE HDy 1.0 1.779 3.563 314 256 A 27 PHE HEx A 27 PHE HDx 1.0 1.779 3.563 315 257 A 27 PHE HZ A 27 PHE HDy 1.0 1.653 6.000 316 257 A 27 PHE HZ A 27 PHE HDx 1.0 1.653 6.000 317 258 A 27 PHE HZ A 27 PHE HEy 1.0 1.532 2.598 318 258 A 27 PHE HZ A 27 PHE HEx 1.0 1.532 2.598 319 259 A 21 PHE H A 21 PHE HDy 1.0 1.797 3.655 320 259 A 21 PHE H A 21 PHE HDx 1.0 1.797 3.655 321 260 A 28 ILE HD1% A 27 PHE HZ 1.0 1.978 5.176 322 261 A 19 LYS HDx A 21 PHE HZ 1.0 1.986 5.352 323 262 A 21 PHE HZ A 30 HIS HBx 1.0 1.898 4.300 324 263 A 21 PHE HZ A 30 HIS HBy 1.0 1.999 5.833 325 264 A 27 PHE HBx A 21 PHE HZ 1.0 1.977 6.877 326 265 A 19 LYS HEx A 21 PHE HZ 1.0 1.954 7.270 327 266 A 24 ARG H A 25 VAL H 1.0 1.874 4.120 328 267 A 22 ARG H A 21 PHE HA 1.0 1.711 3.245 329 268 A 12 TYR H A 21 PHE HBy 1.0 2.000 5.890 330 269 A 21 PHE HBy A 23 TRP H 1.0 1.958 7.202 331 270 A 21 PHE HBy A 21 PHE HDy 1.0 1.742 3.386 332 270 A 21 PHE HBy A 21 PHE HDx 1.0 1.742 3.386 333 271 A 21 PHE HBx A 23 TRP H 1.0 1.887 4.209 334 272 A 21 PHE HBx A 27 PHE HDy 1.0 1.981 6.795 335 272 A 21 PHE HBx A 27 PHE HDx 1.0 1.981 6.795 336 273 A 21 PHE HBx A 21 PHE HEy 1.0 1.998 5.790 337 273 A 21 PHE HBx A 21 PHE HEx 1.0 1.998 5.790 338 274 A 23 TRP HBy A 23 TRP HE3 1.0 1.910 4.396 339 275 A 23 TRP HE3 A 23 TRP HBx 1.0 1.972 5.080 340 276 A 17 CYS HA A 19 LYS H 1.0 1.941 7.431 341 277 A 21 PHE HDy A 23 TRP H 1.0 1.995 6.431 342 277 A 21 PHE HDx A 23 TRP H 1.0 1.995 6.431 343 278 A 21 PHE HBy A 21 PHE HEy 1.0 1.985 5.331 344 278 A 21 PHE HBy A 21 PHE HEx 1.0 1.985 5.331 345 279 A 12 TYR HBy A 21 PHE HEy 1.0 1.960 7.168 346 279 A 12 TYR HBy A 21 PHE HEx 1.0 1.960 7.168 347 280 A 27 PHE HBy A 21 PHE HEy 1.0 1.933 7.529 348 280 A 27 PHE HBy A 21 PHE HEx 1.0 1.933 7.529 349 281 A 30 HIS HD2 A 30 HIS HBy 1.0 1.758 3.460 350 282 A 30 HIS HD2 A 31 LEU HDx% 1.0 1.982 5.262 351 283 A 30 HIS HD2 A 31 LEU HDy% 1.0 1.769 3.511 352 284 A 21 PHE HEy A 19 LYS HDx 1.0 1.996 5.624 353 284 A 21 PHE HEx A 19 LYS HDx 1.0 1.996 5.624 354 285 A 21 PHE HBy A 27 PHE HDy 1.0 1.900 4.306 355 285 A 21 PHE HBy A 27 PHE HDx 1.0 1.900 4.306 356 286 A 27 PHE HBy A 27 PHE HDy 1.0 1.823 3.793 357 286 A 27 PHE HBy A 27 PHE HDx 1.0 1.823 3.793 358 287 A 12 TYR HEy A 21 PHE HBy 1.0 1.999 6.187 359 287 A 12 TYR HEx A 21 PHE HBy 1.0 1.999 6.187 360 288 A 22 ARG HBy A 23 TRP H 1.0 1.995 5.573 361 289 A 22 ARG HBx A 23 TRP H 1.0 1.803 3.689 362 290 A 31 LEU H A 31 LEU HDy% 1.0 1.985 5.319 363 291 A 31 LEU H A 31 LEU HG 1.0 1.846 3.930 364 292 A 23 TRP HE3 A 23 TRP HZ2 1.0 1.994 5.552 365 293 A 23 TRP HH2 A 23 TRP HE3 1.0 1.929 4.559 366 294 A 23 TRP HH2 A 23 TRP HZ2 1.0 1.576 2.742 367 295 A 23 TRP HZ2 A 23 TRP HZ3 1.0 1.887 4.207 368 296 A 24 ARG H A 23 TRP HD1 1.0 1.932 7.536 369 297 A 24 ARG H A 23 TRP H 1.0 1.916 7.728 370 298 A 23 TRP HD1 A 22 ARG H 1.0 1.961 7.161 371 299 A 12 TYR HDy A 22 ARG H 1.0 1.885 8.035 372 299 A 12 TYR HDx A 22 ARG H 1.0 1.885 8.035 373 300 A 23 TRP HD1 A 22 ARG HBy 1.0 1.998 5.768 374 301 A 23 TRP HD1 A 22 ARG HBx 1.0 1.848 3.952 375 302 A 30 HIS HD2 A 30 HIS HA 1.0 2.000 6.144 376 303 A 21 PHE HEy A 26 ASN HA 1.0 2.000 6.004 377 303 A 21 PHE HEx A 26 ASN HA 1.0 2.000 6.004 378 304 A 25 VAL HGy% A 23 TRP HD1 1.0 1.998 5.724 379 305 A 23 TRP H A 23 TRP HBx 1.0 1.903 4.335 380 306 A 23 TRP HBy A 23 TRP H 1.0 1.929 4.561 381 307 A 23 TRP HA A 26 ASN HD22 1.0 1.955 7.243 382 308 A 23 TRP HA A 23 TRP HZ3 1.0 1.924 7.628 383 309 A 23 TRP HA A 23 TRP HH2 1.0 1.945 7.383 384 310 A 23 TRP HBy A 26 ASN HD22 1.0 2.000 5.894 385 311 A 27 PHE H A 26 ASN HD21 1.0 1.398 2.214 386 312 A 28 ILE H A 27 PHE H 1.0 1.772 3.530 387 313 A 23 TRP H A 26 ASN HD22 1.0 1.881 4.167 388 314 A 23 TRP HBy A 23 TRP HD1 1.0 1.908 4.378 389 315 A 23 TRP HD1 A 23 TRP H 1.0 1.863 4.041 390 316 A 23 TRP HD1 A 26 ASN HD21 1.0 1.944 4.714 391 317 A 23 TRP HD1 A 23 TRP HBx 1.0 1.870 4.092 392 318 A 23 TRP HD1 A 22 ARG HDx 1.0 1.987 6.643 393 319 A 34 ARG H A 34 ARG HA 1.0 1.927 4.547 394 320 A 23 TRP HE3 A 23 TRP HZ3 1.0 1.755 3.449 395 321 A 23 TRP HBy A 26 ASN H 1.0 1.927 4.537 396 322 A 26 ASN H A 23 TRP HBx 1.0 1.822 3.792 397 323 A 26 ASN H A 26 ASN HBy 1.0 1.765 3.491 398 324 A 25 VAL HA A 26 ASN H 1.0 1.966 4.992 399 325 A 23 TRP H A 26 ASN H 1.0 1.946 7.372 400 326 A 25 VAL H A 26 ASN H 1.0 1.839 3.893 401 327 A 23 TRP HE1 A 23 TRP HBx 1.0 1.933 7.527 402 328 A 23 TRP HA A 23 TRP HE1 1.0 1.975 6.927 403 329 A 27 PHE H A 27 PHE HA 1.0 1.779 3.563 404 330 A 21 PHE HDy A 26 ASN HBx 1.0 1.804 3.692 405 330 A 21 PHE HDx A 26 ASN HBx 1.0 1.804 3.692 406 331 A 21 PHE HDy A 19 LYS HA 1.0 1.999 5.811 407 331 A 21 PHE HDx A 19 LYS HA 1.0 1.999 5.811 408 332 A 25 VAL H A 26 ASN HA 1.0 1.999 6.185 409 333 A 25 VAL HGy% A 26 ASN H 1.0 1.803 3.687 410 334 A 25 VAL HGx% A 26 ASN H 1.0 1.908 4.380 411 335 A 25 VAL H A 28 ILE HD1% 1.0 1.979 6.845 412 336 A 25 VAL HA A 29 ARG H 1.0 1.985 5.331 413 337 A 25 VAL H A 27 PHE H 1.0 1.935 4.619 414 338 A 25 VAL H A 29 ARG H 1.0 1.998 6.258 415 339 A 24 ARG H A 24 ARG HA 1.0 1.866 4.062 416 340 A 24 ARG H A 27 PHE HBy 1.0 1.966 7.078 417 341 A 26 ASN H A 26 ASN HBx 1.0 1.963 4.937 418 342 A 29 ARG H A 29 ARG HBy 1.0 1.719 3.283 419 343 A 29 ARG H A 29 ARG HGy 1.0 2.000 5.882 420 344 A 29 ARG H A 29 ARG HBx 1.0 1.721 3.287 421 345 A 27 PHE HBx A 26 ASN H 1.0 1.988 6.628 422 346 A 26 ASN H A 27 PHE HA 1.0 1.981 6.797 423 347 A 27 PHE HBy A 26 ASN H 1.0 1.895 7.941 424 348 A 26 ASN H A 25 VAL HB 1.0 1.940 4.674 425 349 A 28 ILE HG2% A 26 ASN H 1.0 1.944 7.382 426 350 A 26 ASN H A 29 ARG HBy 1.0 1.998 6.272 427 351 A 26 ASN HA A 30 HIS H 1.0 1.999 5.849 428 352 A 26 ASN H A 27 PHE H 1.0 1.691 3.161 429 353 A 26 ASN HD21 A 23 TRP HBx 1.0 1.865 4.053 430 354 A 23 TRP HE3 A 26 ASN HD22 1.0 1.994 6.466 431 355 A 27 PHE HEy A 31 LEU HDy% 1.0 1.868 4.076 432 355 A 27 PHE HEx A 31 LEU HDy% 1.0 1.868 4.076 433 356 A 35 ARG HE A 35 ARG HDy 1.0 2.000 5.996 434 357 A 27 PHE H A 26 ASN HBy 1.0 1.879 4.153 435 358 A 23 TRP HD1 A 26 ASN HBy 1.0 1.951 4.797 436 359 A 27 PHE HEy A 31 LEU HBx 1.0 1.993 6.479 437 359 A 27 PHE HEx A 31 LEU HBx 1.0 1.993 6.479 438 360 A 27 PHE HEy A 31 LEU HBy 1.0 1.999 6.087 439 360 A 27 PHE HEx A 31 LEU HBy 1.0 1.999 6.087 440 361 A 27 PHE H A 29 ARG HBx 1.0 1.978 5.176 441 362 A 27 PHE H A 29 ARG HBy 1.0 1.986 5.358 442 363 A 13 VAL H A 27 PHE HEy 1.0 1.999 6.149 443 363 A 13 VAL H A 27 PHE HEx 1.0 1.999 6.149 444 364 A 14 CYS H A 27 PHE HEy 1.0 1.844 3.918 445 364 A 14 CYS H A 27 PHE HEx 1.0 1.844 3.918 446 365 A 28 ILE HD1% A 27 PHE HEx 1.0 1.971 5.061 447 365 A 28 ILE HD1% A 27 PHE HEy 1.0 1.971 5.061 448 366 A 27 PHE HZ A 13 VAL H 1.0 2.000 6.022 449 367 A 27 PHE HZ A 31 LEU HDy% 1.0 1.825 3.805 450 368 A 30 HIS HD2 A 27 PHE HZ 1.0 1.946 4.734 451 369 A 30 HIS HD2 A 27 PHE HDy 1.0 1.883 4.185 452 369 A 30 HIS HD2 A 27 PHE HDx 1.0 1.883 4.185 453 370 A 27 PHE HDy A 21 PHE HZ 1.0 1.952 7.276 454 370 A 27 PHE HDx A 21 PHE HZ 1.0 1.952 7.276 455 371 A 28 ILE HD1% A 27 PHE HDx 1.0 1.934 4.612 456 371 A 28 ILE HD1% A 27 PHE HDy 1.0 1.934 4.612 457 372 A 31 LEU HDx% A 27 PHE HDx 1.0 1.953 4.821 458 372 A 31 LEU HDx% A 27 PHE HDy 1.0 1.953 4.821 459 373 A 14 CYS HBx A 27 PHE HDy 1.0 1.959 7.191 460 373 A 14 CYS HBx A 27 PHE HDx 1.0 1.959 7.191 461 374 A 27 PHE HDy A 28 ILE HA 1.0 1.990 5.426 462 374 A 27 PHE HDx A 28 ILE HA 1.0 1.990 5.426 463 375 A 27 PHE HDy A 30 HIS HBy 1.0 1.974 5.104 464 375 A 27 PHE HDx A 30 HIS HBy 1.0 1.974 5.104 465 376 A 27 PHE HDy A 28 ILE HB 1.0 1.978 6.864 466 376 A 27 PHE HDx A 28 ILE HB 1.0 1.978 6.864 467 377 A 28 ILE H A 27 PHE HDy 1.0 1.988 5.392 468 377 A 28 ILE H A 27 PHE HDx 1.0 1.988 5.392 469 378 A 14 CYS H A 27 PHE HDy 1.0 1.999 6.173 470 378 A 14 CYS H A 27 PHE HDx 1.0 1.999 6.173 471 379 A 27 PHE HDy A 27 PHE HA 1.0 1.786 3.600 472 379 A 27 PHE HDx A 27 PHE HA 1.0 1.786 3.600 473 380 A 27 PHE HDy A 28 ILE HG1y 1.0 1.968 5.018 474 380 A 27 PHE HDx A 28 ILE HG1y 1.0 1.968 5.018 475 381 A 27 PHE HDy A 31 LEU HG 1.0 1.986 5.360 476 381 A 27 PHE HDx A 31 LEU HG 1.0 1.986 5.360 477 382 A 30 HIS H A 30 HIS HBy 1.0 1.726 3.314 478 383 A 30 HIS H A 29 ARG HA 1.0 1.944 4.726 479 384 A 30 HIS HA A 30 HIS H 1.0 1.848 3.948 480 385 A 27 PHE HZ A 27 PHE HA 1.0 2.000 6.000 481 386 A 27 PHE HZ A 27 PHE HBy 1.0 1.984 6.734 482 387 A 27 PHE HZ A 31 LEU HG 1.0 1.987 5.371 483 388 A 28 ILE H A 29 ARG HA 1.0 1.921 7.661 484 389 A 28 ILE H A 26 ASN H 1.0 1.995 6.395 485 390 A 28 ILE H A 30 HIS H 1.0 1.999 5.829 486 391 A 28 ILE HD1% A 29 ARG H 1.0 1.923 7.651 487 392 A 28 ILE HG2% A 29 ARG HA 1.0 1.932 4.590 488 393 A 28 ILE HD1% A 25 VAL HA 1.0 1.980 6.000 489 394 A 31 LEU HG A 28 ILE HA 1.0 1.935 4.621 490 395 A 31 LEU HDx% A 28 ILE HA 1.0 1.857 4.003 491 396 A 28 ILE HD1% A 28 ILE HA 1.0 1.782 3.578 492 397 A 28 ILE HG2% A 28 ILE HA 1.0 1.736 3.358 493 398 A 29 ARG H A 29 ARG HA 1.0 1.804 3.688 494 399 A 30 HIS H A 29 ARG HBy 1.0 1.781 3.575 495 400 A 29 ARG HBx A 29 ARG HA 1.0 1.810 3.724 496 401 A 29 ARG HBy A 29 ARG HA 1.0 1.791 3.621 497 402 A 28 ILE HG2% A 30 HIS H 1.0 1.983 6.751 498 403 A 30 HIS HD2 A 31 LEU H 1.0 1.978 5.174 499 404 A 30 HIS HD2 A 30 HIS HE1 1.0 1.996 5.666 500 405 A 30 HIS HD2 A 30 HIS HBx 1.0 1.900 4.316 501 406 A 19 LYS H A 21 PHE HEy 1.0 1.937 7.491 502 406 A 19 LYS H A 21 PHE HEx 1.0 1.937 7.491 503 407 A 31 LEU HA A 30 HIS HE1 1.0 1.987 6.659 504 408 A 30 HIS HE1 A 17 CYS HBx 1.0 1.999 5.787 505 409 A 19 LYS HBx A 30 HIS HE1 1.0 1.979 6.827 506 410 A 30 HIS HE1 A 19 LYS HEy 1.0 1.960 7.174 507 411 A 19 LYS HA A 30 HIS HE1 1.0 1.877 8.105 508 412 A 30 HIS HE1 A 17 CYS HBy 1.0 1.978 6.862 509 413 A 31 LEU H A 30 HIS H 1.0 1.827 3.819 510 414 A 31 LEU HA A 30 HIS H 1.0 1.874 8.132 511 415 A 33 SER HA A 33 SER H 1.0 1.851 3.969 512 416 A 33 SER H A 32 ARG HA 1.0 1.928 4.552 513 417 A 32 ARG H A 32 ARG HA 1.0 1.875 4.121 514 418 A 32 ARG H A 30 HIS HA 1.0 2.000 5.950 515 419 A 31 LEU H A 30 HIS HBx 1.0 1.987 6.679 516 420 A 31 LEU H A 30 HIS HBy 1.0 1.889 4.227 517 421 A 31 LEU HA A 31 LEU H 1.0 1.900 4.316 518 422 A 35 ARG H A 35 ARG HA 1.0 1.891 4.239 519 423 A 31 LEU H A 31 LEU HBy 1.0 1.884 4.190 520 424 A 33 SER H A 31 LEU HA 1.0 2.000 6.058 521 425 A 31 LEU HA A 32 ARG H 1.0 1.948 4.768 522 426 A 31 LEU HA A 31 LEU HDy% 1.0 1.666 3.064 523 427 A 33 SER H A 32 ARG HBx 1.0 1.918 4.464 524 428 A 31 LEU H A 31 LEU HBx 1.0 1.943 4.709 525 429 A 31 LEU HA A 31 LEU HBy 1.0 1.879 4.149 526 430 A 31 LEU HDx% A 34 ARG HDy 1.0 1.996 6.366 527 431 A 31 LEU HDx% A 34 ARG HDx 1.0 1.999 5.899 528 432 A 31 LEU HDy% A 28 ILE HA 1.0 1.864 4.050 529 433 A 15 PRO HGx A 31 LEU HDy% 1.0 1.993 5.531 530 434 A 31 LEU HDx% A 15 PRO HGx 1.0 1.994 6.440 531 435 A 32 ARG H A 31 LEU HBy 1.0 1.945 4.729 532 436 A 32 ARG H A 32 ARG HBx 1.0 1.898 4.292 533 437 A 32 ARG H A 32 ARG HBy 1.0 1.795 3.643 534 438 A 32 ARG H A 31 LEU HDy% 1.0 1.992 6.512 535 439 A 34 ARG H A 32 ARG HA 1.0 1.993 6.483 536 440 A 32 ARG H A 29 ARG HA 1.0 1.974 5.118 537 441 A 32 ARG HA A 32 ARG HDx 1.0 1.999 6.111 538 442 A 27 PHE HZ A 12 TYR HA 1.0 1.996 6.396 539 443 A 33 SER H A 33 SER HBy 1.0 1.715 3.263 540 444 A 33 SER H A 32 ARG H 1.0 1.783 3.585 541 445 A 8 SER H A 8 SER HA 1.0 1.784 3.586 542 446 A 35 ARG H A 34 ARG HA 1.0 1.814 3.742 543 447 A 33 SER H A 31 LEU HBy 1.0 1.970 7.018 544 448 A 34 ARG H A 34 ARG HGy 1.0 1.887 4.215 545 449 A 31 LEU HDx% A 34 ARG HGx 1.0 1.833 6.000 546 450 A 31 LEU HDx% A 34 ARG HGy 1.0 1.910 7.784 547 451 A 34 ARG H A 31 LEU HBx 1.0 1.950 6.000 548 452 A 34 ARG HDx A 34 ARG HGx 1.0 1.711 3.249 549 453 A 9 GLN H A 9 GLN HA 1.0 1.705 3.219 550 454 A 35 ARG H A 35 ARG HGy 1.0 1.973 5.099 551 455 A 5 VAL HA A 5 VAL H 1.0 1.893 4.255 552 456 A 41 LYS H A 39 PRO HBx 1.0 1.918 4.462 553 457 A 7 THR HG2% A 5 VAL H 1.0 1.994 5.588 554 458 A 11 SER HBx A 10 LYS H 1.0 1.991 6.561 555 459 A 18 GLY H A 17 CYS HBy 1.0 1.996 6.350 556 460 A 19 LYS HBx A 17 CYS H 1.0 1.757 9.031 557 461 A 19 LYS HGy A 17 CYS HBx 1.0 1.983 6.765 558 462 A 15 PRO HBx A 17 CYS H 1.0 1.953 7.271 559 463 A 30 HIS HE1 A 30 HIS HA 1.0 1.987 6.643 560 464 A 30 HIS HA A 30 HIS HBx 1.0 1.837 3.881 561 465 A 37 GLN H A 35 ARG HA 1.0 1.841 6.000 562 466 A 10 LYS H A 10 LYS HDx 1.0 1.985 6.697 563 467 A 12 TYR HEy A 13 VAL H 1.0 1.994 6.446 564 467 A 12 TYR HEx A 13 VAL H 1.0 1.994 6.446 565 468 A 13 VAL H A 27 PHE HDy 1.0 1.898 7.916 566 468 A 13 VAL H A 27 PHE HDx 1.0 1.898 7.916 567 469 A 11 SER H A 10 LYS H 1.0 1.961 4.921 568 470 A 12 TYR H A 13 VAL H 1.0 1.998 5.754 569 471 A 12 TYR HDx A 13 VAL HGy% 1.0 1.990 6.576 570 471 A 12 TYR HDy A 13 VAL HGy% 1.0 1.990 6.576 571 472 A 25 VAL HGy% A 23 TRP HE3 1.0 1.997 6.269 572 473 A 14 CYS HA A 13 VAL HGx% 1.0 1.995 5.597 573 474 A 29 ARG H A 28 ILE HG1y 1.0 1.973 6.963 574 475 A 13 VAL H A 13 VAL HGx% 1.0 1.885 4.201 575 476 A 13 VAL H A 13 VAL HGy% 1.0 1.805 3.699 576 477 A 12 TYR H A 13 VAL HGy% 1.0 1.998 5.790 577 478 A 21 PHE H A 13 VAL HGy% 1.0 1.864 4.048 578 479 A 12 TYR HA A 13 VAL HGy% 1.0 1.983 5.263 579 480 A 12 TYR HEy A 23 TRP HBx 1.0 1.899 7.897 580 480 A 12 TYR HEx A 23 TRP HBx 1.0 1.899 7.897 581 481 A 25 VAL HGy% A 26 ASN HD22 1.0 1.999 5.865 582 482 A 11 SER HBy A 12 TYR HDy 1.0 1.893 7.953 583 482 A 11 SER HBy A 12 TYR HDx 1.0 1.893 7.953 584 483 A 12 TYR HEy A 23 TRP H 1.0 1.998 6.290 585 483 A 12 TYR HEx A 23 TRP H 1.0 1.998 6.290 586 484 A 12 TYR HEy A 10 LYS H 1.0 1.965 7.091 587 484 A 12 TYR HEx A 10 LYS H 1.0 1.965 7.091 588 485 A 12 TYR H A 27 PHE HDy 1.0 1.928 7.590 589 485 A 12 TYR H A 27 PHE HDx 1.0 1.928 7.590 590 486 A 20 ILE HB A 13 VAL HGy% 1.0 1.658 3.034 591 487 A 12 TYR H A 20 ILE HG1x 1.0 1.999 5.841 592 488 A 23 TRP HA A 12 TYR HDy 1.0 1.999 5.819 593 488 A 23 TRP HA A 12 TYR HDx 1.0 1.999 5.819 594 489 A 12 TYR HEy A 21 PHE HBx 1.0 1.976 5.150 595 489 A 12 TYR HEx A 21 PHE HBx 1.0 1.976 5.150 596 490 A 12 TYR HEy A 27 PHE HBy 1.0 1.996 6.348 597 490 A 12 TYR HEx A 27 PHE HBy 1.0 1.996 6.348 598 491 A 12 TYR HBy A 27 PHE HDy 1.0 1.945 4.721 599 491 A 12 TYR HBy A 27 PHE HDx 1.0 1.945 4.721 600 492 A 14 CYS HA A 15 PRO HDy 1.0 1.914 4.426 601 493 A 12 TYR HBy A 27 PHE HEy 1.0 1.998 5.734 602 493 A 12 TYR HBy A 27 PHE HEx 1.0 1.998 5.734 603 494 A 27 PHE HEy A 20 ILE HA 1.0 1.969 5.047 604 494 A 27 PHE HEx A 20 ILE HA 1.0 1.969 5.047 605 495 A 23 TRP HD1 A 22 ARG HGy 1.0 2.000 5.928 606 496 A 12 TYR HBx A 27 PHE H 1.0 1.987 6.671 607 497 A 30 HIS HD2 A 19 LYS HBy 1.0 1.940 4.674 608 498 A 27 PHE HDy A 27 PHE H 1.0 1.905 4.355 609 498 A 27 PHE HDx A 27 PHE H 1.0 1.905 4.355 610 499 A 14 CYS H A 13 VAL HA 1.0 1.663 3.053 611 500 A 13 VAL HB A 13 VAL HA 1.0 1.957 4.877 612 501 A 13 VAL HGy% A 13 VAL HA 1.0 1.797 3.653 613 502 A 13 VAL HGx% A 13 VAL HA 1.0 1.815 3.751 614 503 A 30 HIS HD2 A 15 PRO HDy 1.0 1.983 6.769 615 503 A 30 HIS HD2 A 15 PRO HDx 1.0 1.983 6.769 616 504 A 24 ARG H A 24 ARG HDx 1.0 1.970 7.014 617 504 A 24 ARG H A 24 ARG HDy 1.0 1.970 7.014 618 505 A 11 SER H A 10 LYS HB3 1.0 1.839 3.893 619 505 A 11 SER H A 10 LYS HB2 1.0 1.839 3.893 620 506 A 11 SER H A 10 LYS HG3 1.0 1.993 5.539 621 506 A 11 SER H A 10 LYS HG2 1.0 1.993 5.539 622 507 A 12 TYR HDy A 24 ARG HDy 1.0 1.993 6.475 623 507 A 12 TYR HDx A 24 ARG HDy 1.0 1.993 6.475 624 507 A 12 TYR HDy A 24 ARG HDx 1.0 1.993 6.475 625 507 A 12 TYR HDx A 24 ARG HDx 1.0 1.993 6.475 626 508 A 12 TYR HEx A 24 ARG HDy 1.0 1.981 5.247 627 508 A 12 TYR HEy A 24 ARG HDy 1.0 1.981 5.247 628 508 A 12 TYR HEy A 24 ARG HDx 1.0 1.981 5.247 629 508 A 12 TYR HEx A 24 ARG HDx 1.0 1.981 5.247 630 509 A 12 TYR HEx A 24 ARG HBx 1.0 1.946 4.748 631 509 A 12 TYR HEy A 24 ARG HBx 1.0 1.946 4.748 632 509 A 12 TYR HEy A 24 ARG HBy 1.0 1.946 4.748 633 509 A 12 TYR HEx A 24 ARG HBy 1.0 1.946 4.748 634 510 A 12 TYR HDx A 24 ARG HBx 1.0 1.999 5.901 635 510 A 12 TYR HDy A 24 ARG HBx 1.0 1.999 5.901 636 510 A 12 TYR HDy A 24 ARG HBy 1.0 1.999 5.901 637 510 A 12 TYR HDx A 24 ARG HBy 1.0 1.999 5.901 638 511 A 12 TYR HEx A 10 LYS HB3 1.0 1.961 4.933 639 511 A 12 TYR HEy A 10 LYS HB3 1.0 1.961 4.933 640 511 A 12 TYR HEy A 10 LYS HB2 1.0 1.961 4.933 641 511 A 12 TYR HEx A 10 LYS HB2 1.0 1.961 4.933 642 512 A 12 TYR HDy A 10 LYS HB3 1.0 1.997 5.667 643 512 A 12 TYR HDx A 10 LYS HB3 1.0 1.997 5.667 644 512 A 12 TYR HDy A 10 LYS HB2 1.0 1.997 5.667 645 512 A 12 TYR HDx A 10 LYS HB2 1.0 1.997 5.667 646 513 A 12 TYR HEy A 24 ARG HG2 1.0 1.988 5.394 647 513 A 12 TYR HEx A 22 ARG HGy 1.0 1.988 5.394 648 513 A 12 TYR HEy A 22 ARG HGy 1.0 1.988 5.394 649 513 A 12 TYR HEy A 24 ARG HG3 1.0 1.988 5.394 650 513 A 12 TYR HEx A 24 ARG HG3 1.0 1.988 5.394 651 513 A 12 TYR HEx A 24 ARG HG2 1.0 1.988 5.394 652 514 A 12 TYR HDx A 22 ARG HGx 1.0 1.993 5.551 653 514 A 12 TYR HDx A 24 ARG HG2 1.0 1.993 5.551 654 514 A 12 TYR HDy A 24 ARG HG3 1.0 1.993 5.551 655 514 A 12 TYR HDy A 22 ARG HGx 1.0 1.993 5.551 656 514 A 12 TYR HDx A 24 ARG HG3 1.0 1.993 5.551 657 514 A 12 TYR HDy A 24 ARG HG2 1.0 1.993 5.551 658 515 A 23 TRP HE1 A 22 ARG HGx 1.0 1.987 5.387 659 515 A 23 TRP HE1 A 22 ARG HGy 1.0 1.987 5.387 660 516 A 10 LYS H A 10 LYS HG2 1.0 1.936 4.626 661 516 A 10 LYS H A 10 LYS HG3 1.0 1.936 4.626 662 517 A 10 LYS H A 10 LYS HB3 1.0 1.798 3.660 663 517 A 10 LYS H A 10 LYS HB2 1.0 1.798 3.660 664 518 A 24 ARG H A 24 ARG HBx 1.0 1.828 3.826 665 518 A 24 ARG H A 24 ARG HBy 1.0 1.828 3.826 666 519 A 30 HIS HD2 A 14 CYS H 1.0 1.976 5.136 667 519 A 14 CYS H A 21 PHE HEy 1.0 1.976 5.136 668 519 A 14 CYS H A 21 PHE HEx 1.0 1.976 5.136 669 520 A 21 PHE H A 27 PHE HDx 1.0 1.997 6.321 670 520 A 21 PHE H A 27 PHE HDy 1.0 1.997 6.321 671 520 A 14 CYS H A 27 PHE HDy 1.0 1.997 6.321 672 520 A 14 CYS H A 27 PHE HDx 1.0 1.997 6.321 673 521 A 14 CYS H A 15 PRO HDx 1.0 1.997 6.349 674 521 A 14 CYS H A 15 PRO HDy 1.0 1.997 6.349 675 522 A 14 CYS HA A 15 PRO HDx 1.0 1.734 3.350 676 522 A 14 CYS HA A 15 PRO HDy 1.0 1.734 3.350 677 523 A 17 CYS H A 17 CYS HBx 1.0 1.932 4.586 678 523 A 14 CYS HBy A 17 CYS H 1.0 1.932 4.586 679 524 A 27 PHE HEy A 15 PRO HDx 1.0 1.958 4.880 680 524 A 27 PHE HEx A 15 PRO HDx 1.0 1.958 4.880 681 524 A 27 PHE HEy A 15 PRO HDy 1.0 1.958 4.880 682 524 A 27 PHE HEx A 15 PRO HDy 1.0 1.958 4.880 683 525 A 27 PHE HZ A 15 PRO HDy 1.0 1.901 4.325 684 525 A 27 PHE HZ A 15 PRO HDx 1.0 1.901 4.325 685 526 A 14 CYS HBy A 15 PRO HDy 1.0 1.990 6.584 686 526 A 14 CYS HBy A 15 PRO HDx 1.0 1.990 6.584 687 527 A 15 PRO HA A 15 PRO HDx 1.0 1.956 4.860 688 527 A 15 PRO HDy A 15 PRO HA 1.0 1.956 4.860 689 528 A 15 PRO HDy A 15 PRO HGy 1.0 1.766 3.498 690 528 A 15 PRO HDx A 15 PRO HGy 1.0 1.766 3.498 691 529 A 15 PRO HDy A 15 PRO HGx 1.0 1.741 3.377 692 529 A 15 PRO HGx A 15 PRO HDx 1.0 1.741 3.377 693 530 A 15 PRO HDy A 31 LEU HDy% 1.0 1.862 4.040 694 530 A 15 PRO HDx A 31 LEU HDy% 1.0 1.862 4.040 695 531 A 31 LEU HDx% A 15 PRO HDy 1.0 1.954 4.822 696 531 A 31 LEU HDx% A 15 PRO HDx 1.0 1.954 4.822 697 532 A 16 ASN H A 15 PRO HBy 1.0 1.992 5.520 698 532 A 16 ASN H A 15 PRO HGy 1.0 1.992 5.520 699 533 A 22 ARG H A 22 ARG HGx 1.0 1.992 5.518 700 533 A 22 ARG H A 22 ARG HGy 1.0 1.992 5.518 701 534 A 6 GLN H A 6 GLN HG2 1.0 1.988 5.396 702 534 A 6 GLN H A 6 GLN HG3 1.0 1.988 5.396 703 535 A 6 GLN H A 5 VAL HG2% 1.0 1.977 5.161 704 535 A 6 GLN H A 5 VAL HG1% 1.0 1.977 5.161 705 536 A 26 ASN HD21 A 26 ASN HD22 1.0 1.400 2.220 706 536 A 27 PHE H A 26 ASN HD21 1.0 1.400 2.220 707 537 A 30 HIS HE1 A 19 LYS HGx 1.0 1.986 6.684 708 537 A 30 HIS HE1 A 19 LYS HGy 1.0 1.986 6.684 709 538 A 19 LYS H A 19 LYS HGx 1.0 1.977 5.163 710 538 A 19 LYS H A 19 LYS HGy 1.0 1.977 5.163 711 539 A 20 ILE H A 20 ILE HG1x 1.0 1.971 5.063 712 539 A 20 ILE H A 20 ILE HG1y 1.0 1.971 5.063 713 540 A 21 PHE HEx A 19 LYS HGx 1.0 1.991 5.493 714 540 A 21 PHE HEy A 19 LYS HGx 1.0 1.991 5.493 715 540 A 21 PHE HEy A 19 LYS HGy 1.0 1.991 5.493 716 540 A 21 PHE HEx A 19 LYS HGy 1.0 1.991 5.493 717 541 A 19 LYS HA A 19 LYS HGx 1.0 1.884 4.196 718 541 A 19 LYS HA A 19 LYS HGy 1.0 1.884 4.196 719 542 A 28 ILE H A 24 ARG HG2 1.0 1.950 7.316 720 542 A 28 ILE H A 24 ARG HG3 1.0 1.950 7.316 721 543 A 27 PHE HDx A 15 PRO HDy 1.0 1.919 7.683 722 543 A 27 PHE HDy A 15 PRO HDy 1.0 1.919 7.683 723 543 A 27 PHE HDy A 15 PRO HDx 1.0 1.919 7.683 724 543 A 27 PHE HDx A 15 PRO HDx 1.0 1.919 7.683 725 544 A 21 PHE HEy A 30 HIS H 1.0 1.986 6.696 726 544 A 21 PHE HEx A 30 HIS H 1.0 1.986 6.696 727 544 A 30 HIS HD2 A 30 HIS H 1.0 1.986 6.696 728 545 A 27 PHE HDy A 21 PHE HDx 1.0 1.785 3.591 729 545 A 27 PHE HEx A 27 PHE HDx 1.0 1.785 3.591 730 545 A 27 PHE HDy A 21 PHE HDy 1.0 1.785 3.591 731 545 A 27 PHE HDx A 21 PHE HDx 1.0 1.785 3.591 732 545 A 27 PHE HEy A 27 PHE HDx 1.0 1.785 3.591 733 545 A 27 PHE HDx A 21 PHE HDy 1.0 1.785 3.591 734 545 A 27 PHE HEy A 27 PHE HDy 1.0 1.785 3.591 735 545 A 27 PHE HEx A 27 PHE HDy 1.0 1.785 3.591 736 546 A 23 TRP H A 22 ARG HGx 1.0 1.999 5.893 737 546 A 23 TRP H A 22 ARG HGy 1.0 1.999 5.893 738 547 A 23 TRP HD1 A 22 ARG HGy 1.0 1.993 5.523 739 547 A 23 TRP HD1 A 22 ARG HGx 1.0 1.993 5.523 740 548 A 25 VAL H A 24 ARG HBy 1.0 1.895 4.275 741 548 A 25 VAL H A 24 ARG HBx 1.0 1.895 4.275 742 549 A 25 VAL H A 24 ARG HG2 1.0 1.995 6.421 743 549 A 25 VAL H A 24 ARG HG3 1.0 1.995 6.421 744 550 A 28 ILE HD1% A 24 ARG HDy 1.0 1.965 4.989 745 550 A 28 ILE HD1% A 24 ARG HDx 1.0 1.965 4.989 746 551 A 12 TYR HEx A 10 LYS HG3 1.0 1.995 6.419 747 551 A 12 TYR HEy A 10 LYS HG3 1.0 1.995 6.419 748 551 A 12 TYR HEy A 10 LYS HG2 1.0 1.995 6.419 749 551 A 12 TYR HEx A 10 LYS HG2 1.0 1.995 6.419 750 552 A 26 ASN HA A 29 ARG HD3 1.0 1.948 4.764 751 552 A 26 ASN HA A 29 ARG HD2 1.0 1.948 4.764 752 553 A 16 ASN HD21 A 15 PRO HGy 1.0 1.976 6.904 753 553 A 16 ASN HD21 A 15 PRO HBy 1.0 1.976 6.904 754 553 A 16 ASN HD22 A 15 PRO HBy 1.0 1.976 6.904 755 554 A 16 ASN HD22 A 31 LEU HDy% 1.0 1.777 8.899 756 554 A 16 ASN HD21 A 31 LEU HDy% 1.0 1.777 8.899 757 555 A 27 PHE HDy A 24 ARG HG3 1.0 1.976 5.146 758 555 A 27 PHE HDx A 24 ARG HG3 1.0 1.976 5.146 759 555 A 27 PHE HDy A 24 ARG HG2 1.0 1.976 5.146 760 555 A 27 PHE HDx A 24 ARG HG2 1.0 1.976 5.146 761 556 A 27 PHE HA A 30 HIS H 1.0 1.820 3.782 762 556 A 30 HIS H A 30 HIS HBx 1.0 1.820 3.782 763 557 A 29 ARG HA A 32 ARG HDy 1.0 1.974 5.108 764 557 A 29 ARG HA A 32 ARG HDx 1.0 1.974 5.108 765 558 A 23 TRP HE3 A 22 ARG HGy 1.0 2.000 6.074 766 558 A 23 TRP HE3 A 22 ARG HGx 1.0 2.000 6.074 767 559 A 33 SER H A 34 ARG HBy 1.0 1.967 5.007 768 559 A 33 SER H A 32 ARG HBy 1.0 1.967 5.007 769 560 A 35 ARG H A 34 ARG HBy 1.0 1.832 3.848 770 560 A 35 ARG H A 34 ARG HBx 1.0 1.832 3.848 771 561 A 5 VAL H A 5 VAL HG1% 1.0 1.903 4.331 772 561 A 5 VAL H A 5 VAL HG2% 1.0 1.903 4.331 773 562 A 15 PRO HDy A 17 CYS H 1.0 1.935 7.505 774 562 A 17 CYS H A 15 PRO HDx 1.0 1.935 7.505 775 563 A 40 HIS HD2 A 40 HIS HB2 1.0 1.957 4.871 776 563 A 40 HIS HD2 A 40 HIS HB3 1.0 1.957 4.871 777 564 A 21 PHE H A 20 ILE HG1y 1.0 1.850 3.960 778 564 A 21 PHE H A 20 ILE HG1x 1.0 1.850 3.960 779 565 A 11 SER HBx A 12 TYR HDy 1.0 1.994 6.472 780 565 A 12 TYR HDy A 23 TRP HBx 1.0 1.994 6.472 781 565 A 12 TYR HDx A 23 TRP HBx 1.0 1.994 6.472 782 565 A 11 SER HBx A 12 TYR HDx 1.0 1.994 6.472 783 566 A 12 TYR HDx A 10 LYS HG3 1.0 1.968 7.034 784 566 A 12 TYR HDy A 10 LYS HG3 1.0 1.968 7.034 785 566 A 12 TYR HDy A 10 LYS HG2 1.0 1.968 7.034 786 566 A 12 TYR HDx A 10 LYS HG2 1.0 1.968 7.034 787 567 A 23 TRP HZ2 A 22 ARG HGy 1.0 1.999 6.181 788 567 A 23 TRP HZ2 A 22 ARG HGx 1.0 1.999 6.181 789 568 A 12 TYR HEx A 22 ARG HGx 1.0 1.991 5.465 790 568 A 12 TYR HDx A 22 ARG HGx 1.0 1.991 5.465 791 568 A 12 TYR HEx A 22 ARG HGy 1.0 1.991 5.465 792 568 A 12 TYR HDx A 22 ARG HGy 1.0 1.991 5.465 793 568 A 12 TYR HEy A 22 ARG HGy 1.0 1.991 5.465 794 568 A 12 TYR HDy A 22 ARG HGy 1.0 1.991 5.465 795 568 A 12 TYR HEy A 22 ARG HGx 1.0 1.991 5.465 796 568 A 12 TYR HDy A 22 ARG HGx 1.0 1.991 5.465 797 569 A 14 CYS H A 13 VAL HGx% 1.0 1.852 3.974 798 569 A 21 PHE H A 13 VAL HGy% 1.0 1.852 3.974 799 569 A 21 PHE H A 20 ILE HD1% 1.0 1.852 3.974 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 save_