data_nef_c17988_2lkb 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 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 12 CYS SG 1 65 CYS SG 1 16 CYS SG 1 38 CYS SG 1 24 CYS SG 1 48 CYS SG 1 28 CYS SG 1 50 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 ALA start . . 2 A 2 ARG middle . . 3 A 3 ASP middle . . 4 A 4 ALA middle . . 5 A 5 TYR middle . . 6 A 6 ILE middle . . 7 A 7 ALA middle . . 8 A 8 LYS middle . . 9 A 9 PRO middle . false 10 A 10 HIS middle . . 11 A 11 ASN middle . . 12 A 12 CYS middle -HG . 13 A 13 VAL middle . . 14 A 14 TYR middle . . 15 A 15 GLU middle . . 16 A 16 CYS middle -HG . 17 A 17 PHE middle . . 18 A 18 ASP middle . . 19 A 19 ALA middle . . 20 A 20 PHE middle . . 21 A 21 SER middle . . 22 A 22 SER middle . . 23 A 23 TYR middle . . 24 A 24 CYS middle -HG . 25 A 25 ASN middle . . 26 A 26 GLY middle . false 27 A 27 VAL middle . . 28 A 28 CYS middle -HG . 29 A 29 THR middle . . 30 A 30 LYS middle . . 31 A 31 ASN middle . . 32 A 32 GLY middle . false 33 A 33 ALA middle . . 34 A 34 LYS middle . . 35 A 35 SER middle . . 36 A 36 GLY middle . false 37 A 37 TYR middle . . 38 A 38 CYS middle -HG . 39 A 39 GLN middle . . 40 A 40 ILE middle . . 41 A 41 LEU middle . . 42 A 42 GLY middle . false 43 A 43 THR middle . . 44 A 44 TYR middle . . 45 A 45 GLY middle . false 46 A 46 ASN middle . . 47 A 47 GLY middle . false 48 A 48 CYS middle -HG . 49 A 49 TRP middle . . 50 A 50 CYS middle -HG . 51 A 51 ILE middle . . 52 A 52 ALA middle . . 53 A 53 LEU middle . . 54 A 54 PRO middle . false 55 A 55 ASP middle . . 56 A 56 ASN middle . . 57 A 57 VAL middle . . 58 A 58 PRO middle . false 59 A 59 ILE middle . . 60 A 60 ARG middle . . 61 A 61 ILE middle . . 62 A 62 PRO middle . false 63 A 63 GLY middle . false 64 A 64 LYS middle . . 65 A 65 CYS middle -HG . 66 A 66 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 ALA HA H 1 4.192 0.011 A 1 ALA HB% H 1 1.315 0.017 A 2 ARG H H 1 7.202 0.010 A 2 ARG HA H 1 4.263 0.043 A 2 ARG HBy H 1 1.806 0.022 A 2 ARG HBx H 1 1.748 0.017 A 2 ARG HDy H 1 3.163 0.005 A 2 ARG HDx H 1 2.926 0.012 A 2 ARG HGy H 1 1.613 0.009 A 2 ARG HGx H 1 0.621 0.002 A 3 ASP H H 1 8.627 0.018 A 3 ASP HA H 1 3.953 0.016 A 3 ASP HBy H 1 2.921 0.131 A 3 ASP HBx H 1 2.710 0.035 A 4 ALA H H 1 7.579 0.027 A 4 ALA HA H 1 3.281 0.044 A 4 ALA HB% H 1 1.091 0.000 A 5 TYR H H 1 8.192 0.016 A 5 TYR HA H 1 4.463 0.034 A 5 TYR HBy H 1 2.967 0.026 A 5 TYR HBx H 1 2.941 0.013 A 5 TYR HDx H 1 6.542 0.011 A 5 TYR HDy H 1 6.664 0.036 A 5 TYR HEx H 1 7.233 0.006 A 5 TYR HEy H 1 7.233 0.006 A 6 ILE H H 1 8.258 0.014 A 6 ILE HA H 1 4.421 0.011 A 6 ILE HB H 1 1.755 0.027 A 6 ILE HD1% H 1 0.572 0.039 A 6 ILE HG1y H 1 1.285 0.007 A 6 ILE HG1x H 1 1.264 0.007 A 7 ALA H H 1 8.803 0.003 A 7 ALA HA H 1 4.207 0.020 A 7 ALA HB% H 1 1.055 0.045 A 8 LYS H H 1 7.091 0.019 A 8 LYS HA H 1 4.194 0.023 A 8 LYS HBy H 1 2.531 0.026 A 8 LYS HBx H 1 2.263 0.013 A 8 LYS HDx H 1 2.356 0.002 A 8 LYS HDy H 1 2.356 0.002 A 8 LYS HEy H 1 3.352 0.032 A 8 LYS HEx H 1 3.062 0.006 A 8 LYS HGy H 1 1.441 0.004 A 8 LYS HGx H 1 1.325 0.002 A 9 PRO HA H 1 5.213 0.037 A 9 PRO HBy H 1 3.080 0.008 A 9 PRO HBx H 1 2.947 0.000 A 9 PRO HDx H 1 3.821 0.006 A 9 PRO HDy H 1 3.821 0.006 A 9 PRO HGx H 1 2.621 0.031 A 9 PRO HGy H 1 2.621 0.031 A 10 HIS H H 1 8.570 0.012 A 10 HIS HA H 1 4.682 0.018 A 10 HIS HBy H 1 3.384 0.006 A 10 HIS HBx H 1 3.005 0.004 A 10 HIS HD1 H 1 7.340 0.032 A 10 HIS HD2 H 1 7.343 0.009 A 10 HIS HE1 H 1 8.602 0.019 A 11 ASN H H 1 8.853 0.021 A 11 ASN HA H 1 4.682 0.018 A 11 ASN HBy H 1 3.278 0.036 A 11 ASN HBx H 1 3.010 0.013 A 11 ASN HD2x H 1 9.473 0.002 A 11 ASN HD2y H 1 9.973 0.009 A 12 CYS H H 1 8.139 0.028 A 12 CYS HA H 1 4.081 0.014 A 12 CYS HBy H 1 2.784 0.032 A 12 CYS HBx H 1 2.693 0.020 A 13 VAL H H 1 8.617 0.062 A 13 VAL HA H 1 3.834 0.003 A 13 VAL HB H 1 2.524 0.071 A 13 VAL HGx% H 1 0.780 0.004 A 13 VAL HGy% H 1 0.610 0.007 A 14 TYR H H 1 8.317 0.018 A 14 TYR HA H 1 5.246 0.013 A 14 TYR HBx H 1 3.553 0.060 A 14 TYR HBy H 1 3.553 0.060 A 14 TYR HDx H 1 6.756 0.017 A 14 TYR HDy H 1 6.756 0.017 A 14 TYR HEx H 1 6.708 0.023 A 14 TYR HEy H 1 6.708 0.023 A 15 GLU H H 1 8.549 0.022 A 15 GLU HA H 1 4.369 0.011 A 15 GLU HBx H 1 1.983 0.033 A 15 GLU HBy H 1 1.983 0.033 A 15 GLU HGx H 1 2.333 0.034 A 15 GLU HGy H 1 2.333 0.034 A 16 CYS H H 1 8.085 0.046 A 16 CYS HA H 1 4.440 0.052 A 16 CYS HBy H 1 2.934 0.037 A 16 CYS HBx H 1 2.650 0.011 A 17 PHE H H 1 9.325 0.031 A 17 PHE HA H 1 3.845 0.006 A 17 PHE HBy H 1 3.206 0.026 A 17 PHE HBx H 1 3.142 0.013 A 17 PHE HDx H 1 6.644 0.012 A 17 PHE HDy H 1 6.888 0.029 A 17 PHE HEx H 1 7.248 0.008 A 17 PHE HEy H 1 7.248 0.008 A 17 PHE HZ H 1 7.090 0.021 A 18 ASP H H 1 8.364 0.021 A 18 ASP HA H 1 3.840 0.019 A 18 ASP HBx H 1 3.059 0.025 A 18 ASP HBy H 1 3.059 0.025 A 19 ALA H H 1 7.513 0.005 A 19 ALA HA H 1 4.231 0.006 A 19 ALA HB% H 1 1.097 0.028 A 20 PHE H H 1 7.931 0.012 A 20 PHE HA H 1 4.036 0.023 A 20 PHE HBx H 1 3.186 0.015 A 20 PHE HBy H 1 3.186 0.015 A 20 PHE HDx H 1 6.872 0.004 A 20 PHE HDy H 1 6.872 0.004 A 21 SER H H 1 8.909 0.024 A 21 SER HA H 1 4.040 0.010 A 21 SER HBy H 1 3.828 0.012 A 21 SER HBx H 1 3.739 0.030 A 22 SER H H 1 7.847 0.014 A 22 SER HA H 1 4.276 0.046 A 22 SER HBy H 1 3.975 0.049 A 22 SER HBx H 1 3.740 0.058 A 23 TYR H H 1 8.486 0.012 A 23 TYR HA H 1 4.637 0.052 A 23 TYR HBy H 1 3.146 0.015 A 23 TYR HBx H 1 2.881 0.003 A 23 TYR HDx H 1 6.773 0.006 A 23 TYR HDy H 1 7.015 0.056 A 23 TYR HEx H 1 7.158 0.025 A 23 TYR HEy H 1 7.158 0.025 A 24 CYS H H 1 9.170 0.005 A 24 CYS HA H 1 4.116 0.065 A 24 CYS HBy H 1 2.885 0.012 A 24 CYS HBx H 1 2.584 0.010 A 25 ASN H H 1 8.592 0.015 A 25 ASN HA H 1 4.165 0.070 A 25 ASN HBy H 1 3.402 0.042 A 25 ASN HBx H 1 3.009 0.004 A 25 ASN HD2x H 1 7.374 0.022 A 25 ASN HD2y H 1 9.966 0.000 A 26 GLY H H 1 8.351 0.017 A 26 GLY HAy H 1 4.116 0.000 A 26 GLY HAx H 1 3.951 0.013 A 27 VAL H H 1 7.498 0.039 A 27 VAL HA H 1 3.235 0.028 A 27 VAL HB H 1 1.507 0.033 A 27 VAL HGx% H 1 -0.084 0.080 A 27 VAL HGy% H 1 0.274 0.080 A 28 CYS H H 1 8.619 0.008 A 28 CYS HA H 1 3.990 0.022 A 28 CYS HBy H 1 2.886 0.012 A 28 CYS HBx H 1 2.702 0.015 A 29 THR H H 1 8.535 0.018 A 29 THR HA H 1 3.766 0.010 A 29 THR HB H 1 4.523 0.012 A 29 THR HG2% H 1 1.330 0.010 A 30 LYS H H 1 8.797 0.000 A 30 LYS HA H 1 4.017 0.007 A 30 LYS HBx H 1 1.738 0.023 A 30 LYS HBy H 1 1.738 0.023 A 30 LYS HDx H 1 1.645 0.008 A 30 LYS HDy H 1 1.645 0.008 A 30 LYS HEx H 1 3.161 0.007 A 30 LYS HEy H 1 3.161 0.007 A 30 LYS HGx H 1 1.370 0.035 A 30 LYS HGy H 1 1.370 0.035 A 31 ASN H H 1 8.816 0.045 A 31 ASN HBy H 1 3.227 0.045 A 31 ASN HBx H 1 2.991 0.010 A 31 ASN HD2x H 1 6.888 0.013 A 31 ASN HD2y H 1 6.888 0.013 A 32 GLY H H 1 8.646 0.008 A 32 GLY HAy H 1 4.065 0.010 A 32 GLY HAx H 1 3.817 0.020 A 33 ALA H H 1 9.410 0.044 A 33 ALA HA H 1 3.441 0.046 A 33 ALA HB% H 1 1.274 0.009 A 34 LYS H H 1 8.804 0.017 A 34 LYS HA H 1 4.660 0.026 A 34 LYS HBx H 1 1.893 0.025 A 34 LYS HBy H 1 1.893 0.025 A 34 LYS HDx H 1 1.677 0.031 A 34 LYS HDy H 1 1.677 0.031 A 34 LYS HEx H 1 3.081 0.002 A 34 LYS HEy H 1 3.081 0.002 A 34 LYS HGx H 1 1.403 0.047 A 34 LYS HGy H 1 1.403 0.047 A 34 LYS HZ1 H 1 5.209 0.030 A 34 LYS HZ2 H 1 5.209 0.030 A 34 LYS HZ3 H 1 5.209 0.030 A 35 SER H H 1 7.113 0.021 A 35 SER HA H 1 4.223 0.020 A 35 SER HBx H 1 3.996 0.012 A 35 SER HBy H 1 3.996 0.012 A 36 GLY H H 1 8.136 0.013 A 36 GLY HAy H 1 3.945 0.031 A 36 GLY HAx H 1 3.632 0.012 A 37 TYR H H 1 7.340 0.006 A 37 TYR HA H 1 5.083 0.033 A 37 TYR HBx H 1 3.172 0.027 A 37 TYR HBy H 1 3.172 0.027 A 37 TYR HDx H 1 6.537 0.004 A 37 TYR HDy H 1 6.663 0.009 A 37 TYR HEx H 1 6.811 0.063 A 37 TYR HEy H 1 6.811 0.063 A 38 CYS H H 1 8.464 0.011 A 38 CYS HA H 1 4.647 0.028 A 38 CYS HBx H 1 2.742 0.027 A 38 CYS HBy H 1 2.742 0.027 A 39 GLN H H 1 8.444 0.007 A 39 GLN HA H 1 4.375 0.011 A 39 GLN HBx H 1 1.923 0.043 A 39 GLN HBy H 1 1.923 0.043 A 39 GLN HE2x H 1 7.253 0.016 A 39 GLN HE2y H 1 7.253 0.016 A 39 GLN HGy H 1 2.337 0.019 A 39 GLN HGx H 1 2.208 0.014 A 40 ILE H H 1 8.254 0.005 A 40 ILE HA H 1 4.354 0.010 A 40 ILE HB H 1 1.971 0.018 A 40 ILE HD1% H 1 0.846 0.009 A 40 ILE HG1x H 1 0.891 0.011 A 40 ILE HG1y H 1 0.891 0.011 A 40 ILE HG2% H 1 1.054 0.040 A 41 LEU H H 1 8.214 0.006 A 41 LEU HA H 1 4.116 0.017 A 41 LEU HBx H 1 1.868 0.045 A 41 LEU HBy H 1 1.868 0.045 A 41 LEU HDx% H 1 0.860 0.016 A 41 LEU HDy% H 1 0.860 0.016 A 41 LEU HG H 1 1.812 0.045 A 42 GLY H H 1 7.865 0.008 A 42 GLY HAy H 1 4.066 0.015 A 42 GLY HAx H 1 3.870 0.054 A 43 THR H H 1 7.410 0.009 A 43 THR HA H 1 3.640 0.009 A 43 THR HB H 1 3.489 0.027 A 43 THR HG2% H 1 0.642 0.047 A 44 TYR H H 1 7.758 0.007 A 44 TYR HA H 1 3.984 0.000 A 44 TYR HBx H 1 3.020 0.056 A 44 TYR HBy H 1 3.020 0.056 A 44 TYR HDx H 1 7.603 0.027 A 44 TYR HDy H 1 7.603 0.027 A 44 TYR HEx H 1 7.089 0.018 A 44 TYR HEy H 1 7.089 0.018 A 45 GLY H H 1 7.520 0.020 A 45 GLY HAy H 1 4.279 0.014 A 45 GLY HAx H 1 3.656 0.017 A 46 ASN H H 1 8.103 0.016 A 46 ASN HA H 1 4.441 0.027 A 46 ASN HBy H 1 2.946 0.035 A 46 ASN HBx H 1 2.640 0.005 A 46 ASN HD2x H 1 9.452 0.025 A 46 ASN HD2y H 1 9.986 0.001 A 47 GLY H H 1 8.565 0.026 A 47 GLY HAy H 1 4.101 0.059 A 47 GLY HAx H 1 3.723 0.027 A 48 CYS H H 1 8.207 0.025 A 48 CYS HA H 1 4.067 0.017 A 48 CYS HBx H 1 3.205 0.020 A 48 CYS HBy H 1 3.205 0.020 A 49 TRP H H 1 8.354 0.039 A 49 TRP HA H 1 4.313 0.033 A 49 TRP HBy H 1 3.030 0.047 A 49 TRP HBx H 1 2.939 0.015 A 49 TRP HD1 H 1 7.058 0.023 A 49 TRP HE1 H 1 7.608 0.030 A 49 TRP HE3 H 1 8.523 0.013 A 49 TRP HH2 H 1 8.797 0.003 A 49 TRP HZ2 H 1 5.577 0.018 A 49 TRP HZ3 H 1 6.874 0.004 A 50 CYS H H 1 8.440 0.004 A 50 CYS HA H 1 4.498 0.031 A 50 CYS HBx H 1 2.622 0.035 A 50 CYS HBy H 1 2.622 0.035 A 51 ILE H H 1 8.131 0.030 A 51 ILE HA H 1 4.044 0.015 A 51 ILE HB H 1 1.905 0.010 A 51 ILE HD1% H 1 0.621 0.013 A 51 ILE HG1x H 1 1.326 0.029 A 51 ILE HG1y H 1 1.326 0.029 A 51 ILE HG2% H 1 1.326 0.029 A 52 ALA H H 1 7.854 0.005 A 52 ALA HA H 1 5.350 0.027 A 52 ALA HB% H 1 0.852 0.009 A 53 LEU H H 1 8.998 0.009 A 53 LEU HA H 1 4.611 0.042 A 53 LEU HBy H 1 2.522 0.016 A 53 LEU HBx H 1 2.415 0.016 A 53 LEU HDx% H 1 0.838 0.090 A 53 LEU HDy% H 1 0.838 0.090 A 53 LEU HG H 1 1.207 0.007 A 54 PRO HA H 1 4.239 0.011 A 54 PRO HBx H 1 2.221 0.016 A 54 PRO HBy H 1 2.221 0.016 A 54 PRO HDy H 1 3.758 0.024 A 54 PRO HDx H 1 3.630 0.050 A 54 PRO HGy H 1 1.981 0.004 A 54 PRO HGx H 1 1.857 0.025 A 55 ASP H H 1 7.719 0.013 A 55 ASP HA H 1 4.388 0.021 A 55 ASP HBy H 1 2.846 0.062 A 55 ASP HBx H 1 2.727 0.005 A 56 ASN H H 1 8.860 0.008 A 56 ASN HA H 1 3.859 0.016 A 56 ASN HBx H 1 2.774 0.017 A 56 ASN HBy H 1 2.774 0.017 A 56 ASN HD2x H 1 7.239 0.008 A 56 ASN HD2y H 1 9.967 0.000 A 57 VAL H H 1 6.772 0.003 A 57 VAL HA H 1 3.222 0.004 A 57 VAL HB H 1 1.494 0.004 A 57 VAL HGx% H 1 -0.101 0.003 A 57 VAL HGy% H 1 0.292 0.003 A 58 PRO HA H 1 4.243 0.015 A 58 PRO HBx H 1 2.175 0.039 A 58 PRO HBy H 1 2.175 0.039 A 58 PRO HDx H 1 3.720 0.026 A 58 PRO HDy H 1 3.720 0.026 A 58 PRO HGx H 1 1.912 0.004 A 58 PRO HGy H 1 1.912 0.004 A 59 ILE H H 1 7.850 0.009 A 59 ILE HA H 1 4.128 0.019 A 59 ILE HB H 1 1.691 0.010 A 59 ILE HD1% H 1 0.774 0.003 A 59 ILE HG1x H 1 0.971 0.064 A 59 ILE HG1y H 1 1.123 0.025 A 59 ILE HG2% H 1 1.204 0.000 A 60 ARG H H 1 7.544 0.037 A 60 ARG HA H 1 4.045 0.008 A 60 ARG HBx H 1 1.627 0.013 A 60 ARG HBy H 1 1.627 0.013 A 60 ARG HDx H 1 2.938 0.027 A 60 ARG HDy H 1 2.938 0.027 A 60 ARG HGx H 1 1.483 0.044 A 60 ARG HGy H 1 1.483 0.044 A 61 ILE H H 1 7.725 0.046 A 61 ILE HA H 1 4.373 0.017 A 61 ILE HB H 1 1.858 0.017 A 61 ILE HG1y H 1 1.414 0.031 A 61 ILE HG1x H 1 1.174 0.084 A 62 PRO HA H 1 4.279 0.007 A 62 PRO HBx H 1 2.407 0.021 A 62 PRO HBy H 1 2.407 0.021 A 62 PRO HGx H 1 1.959 0.036 A 62 PRO HGy H 1 1.959 0.036 A 63 GLY H H 1 8.437 0.001 A 63 GLY HAy H 1 4.242 0.005 A 63 GLY HAx H 1 4.115 0.035 A 64 LYS H H 1 8.213 0.009 A 64 LYS HA H 1 4.119 0.001 A 64 LYS HBy H 1 1.973 0.004 A 64 LYS HBx H 1 1.784 0.008 A 64 LYS HDx H 1 1.583 0.018 A 64 LYS HDy H 1 1.583 0.018 A 64 LYS HEx H 1 2.915 0.025 A 64 LYS HEy H 1 2.915 0.025 A 64 LYS HGx H 1 1.436 0.030 A 64 LYS HGy H 1 1.436 0.030 A 65 CYS H H 1 6.968 0.011 A 65 CYS HA H 1 4.588 0.029 A 65 CYS HBy H 1 2.928 0.015 A 65 CYS HBx H 1 2.341 0.019 A 66 HIS H H 1 9.265 0.065 A 66 HIS HA H 1 4.946 0.005 A 66 HIS HBy H 1 3.316 0.018 A 66 HIS HBx H 1 2.895 0.048 A 66 HIS HD1 H 1 7.236 0.012 A 66 HIS HD2 H 1 7.239 0.000 A 66 HIS HE1 H 1 8.471 0.006 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 1 ALA HA A 2 ARG HGy 1.0 1.8 6.0 2 1 A 1 ALA HA A 2 ARG HGx 1.0 1.8 6.0 3 2 A 1 ALA HA A 2 ARG H 1.0 1.8 3.5 4 3 A 1 ALA HA A 2 ARG HBx 1.0 1.8 6.0 5 3 A 1 ALA HA A 2 ARG HBy 1.0 1.8 6.0 6 4 A 1 ALA HB% A 52 ALA HB% 1.0 1.8 6.0 7 5 A 2 ARG HA A 2 ARG HDy 1.0 1.8 6.0 8 5 A 2 ARG HA A 2 ARG HDx 1.0 1.8 6.0 9 6 A 2 ARG HA A 2 ARG HGy 1.0 1.8 6.0 10 6 A 2 ARG HGx A 2 ARG HA 1.0 1.8 6.0 11 7 A 2 ARG HA A 2 ARG HBx 1.0 1.8 3.5 12 8 A 2 ARG HBy A 2 ARG HA 1.0 1.8 3.5 13 9 A 2 ARG HBx A 2 ARG HDy 1.0 1.8 6.0 14 9 A 2 ARG HBy A 2 ARG HDy 1.0 1.8 6.0 15 9 A 2 ARG HDx A 2 ARG HBx 1.0 1.8 6.0 16 9 A 2 ARG HBy A 2 ARG HDx 1.0 1.8 6.0 17 10 A 2 ARG H A 2 ARG HDy 1.0 1.8 6.0 18 10 A 2 ARG H A 2 ARG HDx 1.0 1.8 6.0 19 11 A 2 ARG HDy A 2 ARG HGy 1.0 1.8 6.0 20 11 A 2 ARG HDx A 2 ARG HGy 1.0 1.8 6.0 21 11 A 2 ARG HGx A 2 ARG HDy 1.0 1.8 6.0 22 11 A 2 ARG HGx A 2 ARG HDx 1.0 1.8 6.0 23 12 A 2 ARG H A 2 ARG HGy 1.0 1.8 6.0 24 12 A 2 ARG HGx A 2 ARG H 1.0 1.8 6.0 25 13 A 2 ARG H A 2 ARG HA 1.0 1.8 6.0 26 14 A 2 ARG H A 2 ARG HBx 1.0 1.8 6.0 27 14 A 2 ARG H A 2 ARG HBy 1.0 1.8 6.0 28 15 A 2 ARG H A 3 ASP H 1.0 1.8 6.0 29 16 A 2 ARG HA A 3 ASP H 1.0 1.8 3.5 30 17 A 2 ARG HA A 50 CYS H 1.0 1.8 6.0 31 18 A 2 ARG HA A 51 ILE HA 1.0 1.8 5.0 32 19 A 2 ARG HA A 50 CYS HBx 1.0 1.8 6.0 33 19 A 2 ARG HA A 50 CYS HBy 1.0 1.8 6.0 34 20 A 1 ALA HA A 2 ARG HBx 1.0 1.8 6.0 35 20 A 1 ALA HA A 2 ARG HBy 1.0 1.8 6.0 36 21 A 3 ASP H A 2 ARG HBx 1.0 1.8 6.0 37 21 A 2 ARG HBy A 3 ASP H 1.0 1.8 6.0 38 22 A 52 ALA H A 2 ARG HBx 1.0 1.8 6.0 39 22 A 2 ARG HBy A 52 ALA H 1.0 1.8 6.0 40 23 A 2 ARG HGy A 3 ASP HBx 1.0 1.8 6.0 41 23 A 2 ARG HGx A 3 ASP HBx 1.0 1.8 6.0 42 23 A 3 ASP HBy A 2 ARG HGy 1.0 1.8 6.0 43 23 A 2 ARG HGx A 3 ASP HBy 1.0 1.8 6.0 44 24 A 4 ALA HA A 2 ARG HGy 1.0 1.8 6.0 45 24 A 2 ARG HGx A 4 ALA HA 1.0 1.8 6.0 46 25 A 2 ARG HDy A 3 ASP HBx 1.0 1.8 6.0 47 25 A 2 ARG HDx A 3 ASP HBx 1.0 1.8 6.0 48 25 A 3 ASP HBy A 2 ARG HDy 1.0 1.8 6.0 49 25 A 2 ARG HDx A 3 ASP HBy 1.0 1.8 6.0 50 26 A 3 ASP H A 3 ASP HA 1.0 1.8 2.9 51 27 A 3 ASP H A 3 ASP HBx 1.0 1.8 6.0 52 28 A 3 ASP H A 3 ASP HBy 1.0 1.8 6.0 53 29 A 3 ASP HA A 2 ARG HBx 1.0 1.8 6.0 54 29 A 2 ARG HBy A 3 ASP HA 1.0 1.8 6.0 55 30 A 3 ASP HA A 6 ILE HB 1.0 1.8 6.0 56 31 A 3 ASP H A 51 ILE HA 1.0 1.8 6.0 57 32 A 3 ASP H A 50 CYS H 1.0 1.8 6.0 58 33 A 3 ASP HA A 4 ALA H 1.0 1.8 3.5 59 34 A 49 TRP HA A 3 ASP HBx 1.0 1.8 6.0 60 34 A 3 ASP HBy A 49 TRP HA 1.0 1.8 6.0 61 35 A 4 ALA HA A 4 ALA H 1.0 1.8 2.9 62 36 A 4 ALA H A 4 ALA HB% 1.0 1.8 2.9 63 37 A 4 ALA H A 5 TYR H 1.0 1.8 6.0 64 38 A 4 ALA HA A 5 TYR H 1.0 1.8 3.5 65 39 A 4 ALA HA A 5 TYR HE% 1.0 1.8 6.0 66 40 A 4 ALA HA A 49 TRP HA 1.0 1.8 3.5 67 41 A 4 ALA HA A 49 TRP HD1 1.0 1.8 6.0 68 42 A 50 CYS H A 4 ALA HA 1.0 1.8 6.0 69 43 A 3 ASP H A 4 ALA HB% 1.0 1.8 6.0 70 44 A 4 ALA HB% A 2 ARG HBx 1.0 1.8 6.0 71 44 A 2 ARG HBy A 4 ALA HB% 1.0 1.8 6.0 72 45 A 4 ALA HB% A 5 TYR HE% 1.0 1.8 6.0 73 46 A 4 ALA HB% A 5 TYR HBy 1.0 1.8 6.0 74 46 A 4 ALA HB% A 5 TYR HBx 1.0 1.8 6.0 75 47 A 5 TYR H A 5 TYR HA 1.0 1.8 3.5 76 48 A 5 TYR HD% A 5 TYR HBy 1.0 1.8 3.5 77 48 A 5 TYR HBx A 5 TYR HD% 1.0 1.8 3.5 78 49 A 5 TYR HE% A 5 TYR HBy 1.0 1.8 6.0 79 49 A 5 TYR HE% A 5 TYR HBx 1.0 1.8 6.0 80 50 A 5 TYR H A 5 TYR HBy 1.0 1.8 3.5 81 50 A 5 TYR H A 5 TYR HBx 1.0 1.8 3.5 82 51 A 5 TYR HA A 48 CYS HBx 1.0 1.8 6.0 83 51 A 5 TYR HA A 48 CYS HBy 1.0 1.8 6.0 84 52 A 41 LEU HG A 5 TYR HBy 1.0 1.8 6.0 85 52 A 5 TYR HBx A 41 LEU HG 1.0 1.8 6.0 86 53 A 6 ILE H A 5 TYR HBy 1.0 1.8 6.0 87 53 A 5 TYR HBx A 6 ILE H 1.0 1.8 6.0 88 54 A 6 ILE H A 6 ILE HA 1.0 1.8 2.9 89 55 A 6 ILE H A 6 ILE HB 1.0 1.8 6.0 90 56 A 6 ILE HA A 6 ILE HB 1.0 1.8 3.5 91 57 A 6 ILE HB A 6 ILE HD1% 1.0 1.8 3.5 92 58 A 6 ILE H A 6 ILE HD1% 1.0 1.8 6.0 93 59 A 6 ILE H A 6 ILE HG21 1.0 1.8 6.0 94 60 A 6 ILE HA A 6 ILE HG1y 1.0 1.8 6.0 95 60 A 6 ILE HA A 6 ILE HG1x 1.0 1.8 6.0 96 61 A 6 ILE HA A 7 ALA H 1.0 1.8 3.5 97 62 A 6 ILE HA A 8 LYS HGy 1.0 1.8 6.0 98 63 A 6 ILE HA A 12 CYS HBy 1.0 1.8 6.0 99 63 A 6 ILE HA A 12 CYS HBx 1.0 1.8 6.0 100 64 A 6 ILE HA A 13 VAL HA 1.0 1.8 6.0 101 65 A 6 ILE HA A 13 VAL HB 1.0 1.8 6.0 102 66 A 6 ILE HD1% A 7 ALA HB% 1.0 1.8 6.0 103 67 A 6 ILE HD1% A 7 ALA H 1.0 1.8 6.0 104 68 A 4 ALA H A 6 ILE HG1y 1.0 1.8 6.0 105 68 A 4 ALA H A 6 ILE HG1x 1.0 1.8 6.0 106 69 A 6 ILE HG21 A 13 VAL H 1.0 1.8 6.0 107 70 A 5 TYR HD% A 6 ILE HG21 1.0 1.8 6.0 108 71 A 5 TYR H A 6 ILE HB 1.0 1.8 6.0 109 72 A 6 ILE HB A 13 VAL H 1.0 1.8 6.0 110 73 A 7 ALA H A 7 ALA HA 1.0 1.8 2.9 111 74 A 7 ALA H A 7 ALA HB% 1.0 1.8 2.9 112 75 A 7 ALA H A 13 VAL HB 1.0 1.8 6.0 113 76 A 7 ALA HA A 8 LYS H 1.0 1.8 3.5 114 77 A 6 ILE H A 7 ALA HA 1.0 1.8 6.0 115 78 A 6 ILE HG21 A 7 ALA HB% 1.0 1.8 6.0 116 79 A 7 ALA HB% A 8 LYS HBy 1.0 1.8 6.0 117 79 A 7 ALA HB% A 8 LYS HBx 1.0 1.8 6.0 118 80 A 7 ALA HB% A 8 LYS HZ% 1.0 1.8 6.0 119 81 A 7 ALA HB% A 12 CYS HA 1.0 1.8 6.0 120 82 A 7 ALA HB% A 13 VAL HB 1.0 1.8 6.0 121 83 A 8 LYS H A 8 LYS HA 1.0 1.8 2.9 122 84 A 8 LYS H A 8 LYS HBy 1.0 1.8 3.5 123 84 A 8 LYS H A 8 LYS HBx 1.0 1.8 3.5 124 85 A 8 LYS H A 8 LYS HGx 1.0 1.8 6.0 125 85 A 8 LYS H A 8 LYS HGy 1.0 1.8 6.0 126 86 A 8 LYS HA A 8 LYS HGx 1.0 1.8 6.0 127 86 A 8 LYS HA A 8 LYS HGy 1.0 1.8 6.0 128 87 A 8 LYS HZ% A 8 LYS HEy 1.0 1.8 2.9 129 87 A 8 LYS HZ% A 8 LYS HEx 1.0 1.8 2.9 130 88 A 8 LYS H A 8 LYS HEy 1.0 1.8 6.0 131 88 A 8 LYS H A 8 LYS HEx 1.0 1.8 6.0 132 89 A 12 CYS HA A 8 LYS HA 1.0 1.8 6.0 133 90 A 10 HIS H A 8 LYS HBy 1.0 1.8 6.0 134 90 A 8 LYS HBx A 10 HIS H 1.0 1.8 6.0 135 91 A 8 LYS HBy A 9 PRO HGx 1.0 1.8 6.0 136 91 A 8 LYS HBx A 9 PRO HGx 1.0 1.8 6.0 137 91 A 9 PRO HGy A 8 LYS HBy 1.0 1.8 6.0 138 91 A 8 LYS HBx A 9 PRO HGy 1.0 1.8 6.0 139 92 A 7 ALA H A 8 LYS HBy 1.0 1.8 6.0 140 92 A 7 ALA H A 8 LYS HBx 1.0 1.8 6.0 141 93 A 12 CYS HA A 8 LYS HBy 1.0 1.8 6.0 142 93 A 8 LYS HBx A 12 CYS HA 1.0 1.8 6.0 143 94 A 8 LYS HBx A 12 CYS HBy 1.0 1.8 6.0 144 94 A 8 LYS HBy A 12 CYS HBy 1.0 1.8 6.0 145 94 A 12 CYS HBx A 8 LYS HBy 1.0 1.8 6.0 146 94 A 12 CYS HBx A 8 LYS HBx 1.0 1.8 6.0 147 95 A 12 CYS H A 8 LYS HBy 1.0 1.8 6.0 148 95 A 8 LYS HBx A 12 CYS H 1.0 1.8 6.0 149 96 A 13 VAL H A 8 LYS HGx 1.0 1.8 6.0 150 96 A 13 VAL H A 8 LYS HGy 1.0 1.8 6.0 151 97 A 8 LYS HDy A 12 CYS HBy 1.0 1.8 6.0 152 97 A 12 CYS HBx A 8 LYS HDx 1.0 1.8 6.0 153 97 A 12 CYS HBx A 8 LYS HDy 1.0 1.8 6.0 154 97 A 8 LYS HDx A 12 CYS HBy 1.0 1.8 6.0 155 98 A 10 HIS H A 8 LYS HEy 1.0 1.8 6.0 156 98 A 8 LYS HEx A 10 HIS H 1.0 1.8 6.0 157 99 A 8 LYS HEx A 11 ASN HD2y 1.0 1.8 6.0 158 99 A 11 ASN HD2x A 8 LYS HEy 1.0 1.8 6.0 159 99 A 8 LYS HEx A 11 ASN HD2x 1.0 1.8 6.0 160 99 A 8 LYS HEy A 11 ASN HD2y 1.0 1.8 6.0 161 100 A 8 LYS H A 27 VAL HGx% 1.0 1.8 6.0 162 101 A 12 CYS HA A 8 LYS HGx 1.0 1.8 6.0 163 101 A 12 CYS HA A 8 LYS HGy 1.0 1.8 6.0 164 102 A 9 PRO HA A 9 PRO HDx 1.0 1.8 3.5 165 102 A 9 PRO HDy A 9 PRO HA 1.0 1.8 3.5 166 103 A 9 PRO HA A 9 PRO HGx 1.0 1.8 3.5 167 103 A 9 PRO HGy A 9 PRO HA 1.0 1.8 3.5 168 104 A 10 HIS H A 9 PRO HA 1.0 1.8 6.0 169 105 A 9 PRO HA A 10 HIS HD1 1.0 1.8 6.0 170 106 A 8 LYS H A 9 PRO HA 1.0 1.8 6.0 171 107 A 9 PRO HA A 11 ASN H 1.0 1.8 6.0 172 108 A 10 HIS H A 9 PRO HA 1.0 1.8 6.0 173 109 A 9 PRO HA A 11 ASN HD2y 1.0 1.8 6.0 174 109 A 11 ASN HD2x A 9 PRO HA 1.0 1.8 6.0 175 110 A 9 PRO HGy A 10 HIS HBy 1.0 1.8 6.0 176 110 A 9 PRO HGx A 10 HIS HBy 1.0 1.8 6.0 177 110 A 10 HIS HBx A 9 PRO HGx 1.0 1.8 6.0 178 110 A 9 PRO HGy A 10 HIS HBx 1.0 1.8 6.0 179 111 A 10 HIS HD1 A 10 HIS HA 1.0 1.8 6.0 180 112 A 10 HIS H A 10 HIS HA 1.0 1.8 2.9 181 113 A 10 HIS H A 10 HIS HBy 1.0 1.8 3.5 182 113 A 10 HIS H A 10 HIS HBx 1.0 1.8 3.5 183 114 A 10 HIS HBx A 11 ASN HBy 1.0 1.8 6.0 184 114 A 10 HIS HBy A 11 ASN HBy 1.0 1.8 6.0 185 114 A 11 ASN HBx A 10 HIS HBy 1.0 1.8 6.0 186 114 A 10 HIS HBx A 11 ASN HBx 1.0 1.8 6.0 187 115 A 11 ASN HD2x A 10 HIS HD1 1.0 1.8 6.0 188 115 A 10 HIS HD1 A 11 ASN HD2y 1.0 1.8 6.0 189 115 A 11 ASN HD2x A 10 HIS HD2 1.0 1.8 6.0 190 115 A 10 HIS HD2 A 11 ASN HD2y 1.0 1.8 6.0 191 116 A 10 HIS HD1 A 61 ILE HG21 1.0 1.8 6.0 192 116 A 10 HIS HD2 A 61 ILE HG1y 1.0 1.8 6.0 193 116 A 10 HIS HD2 A 61 ILE HG21 1.0 1.8 6.0 194 116 A 10 HIS HD1 A 61 ILE HG1y 1.0 1.8 6.0 195 116 A 61 ILE HG1x A 10 HIS HD2 1.0 1.8 6.0 196 116 A 10 HIS HD1 A 61 ILE HG1x 1.0 1.8 6.0 197 117 A 9 PRO HA A 10 HIS HA 1.0 1.8 6.0 198 118 A 10 HIS HA A 60 ARG H 1.0 1.8 6.0 199 119 A 8 LYS HA A 10 HIS H 1.0 1.8 6.0 200 120 A 11 ASN H A 11 ASN HD2y 1.0 1.8 6.0 201 120 A 11 ASN HD2x A 11 ASN H 1.0 1.8 6.0 202 121 A 11 ASN H A 11 ASN HBy 1.0 1.8 3.5 203 121 A 11 ASN H A 11 ASN HBx 1.0 1.8 3.5 204 122 A 12 CYS HA A 12 CYS H 1.0 1.8 6.0 205 123 A 12 CYS H A 12 CYS HBy 1.0 1.8 3.5 206 123 A 12 CYS HBx A 12 CYS H 1.0 1.8 3.5 207 124 A 7 ALA H A 12 CYS H 1.0 1.8 6.0 208 125 A 12 CYS H A 11 ASN H 1.0 1.8 6.0 209 126 A 13 VAL H A 12 CYS HA 1.0 1.8 3.5 210 127 A 8 LYS HEx A 12 CYS HBy 1.0 1.8 6.0 211 127 A 8 LYS HEy A 12 CYS HBy 1.0 1.8 6.0 212 127 A 12 CYS HBx A 8 LYS HEy 1.0 1.8 6.0 213 127 A 12 CYS HBx A 8 LYS HEx 1.0 1.8 6.0 214 128 A 13 VAL HA A 12 CYS HBy 1.0 1.8 6.0 215 128 A 12 CYS HBx A 13 VAL HA 1.0 1.8 6.0 216 129 A 13 VAL HB A 12 CYS HA 1.0 1.8 6.0 217 130 A 13 VAL H A 13 VAL HB 1.0 1.8 6.0 218 131 A 13 VAL HB A 13 VAL HGx% 1.0 1.8 3.5 219 131 A 13 VAL HB A 13 VAL HGy% 1.0 1.8 3.5 220 132 A 13 VAL H A 13 VAL HGx% 1.0 1.8 3.5 221 132 A 13 VAL H A 13 VAL HGy% 1.0 1.8 3.5 222 133 A 13 VAL HA A 13 VAL HGx% 1.0 1.8 3.5 223 133 A 13 VAL HA A 13 VAL HGy% 1.0 1.8 3.5 224 134 A 7 ALA H A 13 VAL H 1.0 1.8 6.0 225 135 A 7 ALA H A 13 VAL HA 1.0 1.8 6.0 226 136 A 13 VAL HA A 12 CYS HBy 1.0 1.8 6.0 227 136 A 12 CYS HBx A 13 VAL HA 1.0 1.8 6.0 228 137 A 13 VAL HA A 14 TYR HE% 1.0 1.8 6.0 229 138 A 13 VAL HB A 14 TYR H 1.0 1.8 6.0 230 139 A 13 VAL HB A 15 GLU H 1.0 1.8 6.0 231 140 A 13 VAL HB A 12 CYS HA 1.0 1.8 6.0 232 141 A 13 VAL HB A 47 GLY H 1.0 1.8 6.0 233 142 A 8 LYS HGx A 13 VAL HGx% 1.0 1.8 6.0 234 142 A 8 LYS HGy A 13 VAL HGx% 1.0 1.8 6.0 235 143 A 14 TYR HBy A 13 VAL HGx% 1.0 1.8 6.0 236 143 A 13 VAL HGx% A 14 TYR HBx 1.0 1.8 6.0 237 144 A 15 GLU HGy A 13 VAL HGx% 1.0 1.8 6.0 238 144 A 13 VAL HGx% A 15 GLU HGx 1.0 1.8 6.0 239 145 A 15 GLU HA A 13 VAL HGx% 1.0 1.8 6.0 240 146 A 46 ASN H A 13 VAL HGx% 1.0 1.8 6.0 241 147 A 12 CYS HA A 13 VAL HGy% 1.0 1.8 6.0 242 148 A 13 VAL HGy% A 15 GLU HA 1.0 1.8 6.0 243 149 A 13 VAL HGy% A 12 CYS HBy 1.0 1.8 6.0 244 149 A 12 CYS HBx A 13 VAL HGy% 1.0 1.8 6.0 245 150 A 13 VAL HGy% A 14 TYR HBy 1.0 1.8 6.0 246 150 A 13 VAL HGy% A 14 TYR HBx 1.0 1.8 6.0 247 151 A 14 TYR HD% A 14 TYR HBx 1.0 1.8 3.5 248 151 A 14 TYR HBy A 14 TYR HD% 1.0 1.8 3.5 249 152 A 14 TYR HE% A 14 TYR HBx 1.0 1.8 6.0 250 152 A 14 TYR HE% A 14 TYR HBy 1.0 1.8 6.0 251 153 A 14 TYR H A 14 TYR HBx 1.0 1.8 3.5 252 153 A 14 TYR H A 14 TYR HBy 1.0 1.8 3.5 253 154 A 15 GLU H A 14 TYR HBx 1.0 1.8 6.0 254 154 A 15 GLU H A 14 TYR HBy 1.0 1.8 6.0 255 155 A 15 GLU HA A 14 TYR HBx 1.0 1.8 6.0 256 155 A 14 TYR HBy A 15 GLU HA 1.0 1.8 6.0 257 156 A 13 VAL HA A 14 TYR HD% 1.0 1.8 6.0 258 157 A 15 GLU HA A 14 TYR HA 1.0 1.8 6.0 259 158 A 15 GLU H A 15 GLU HA 1.0 1.8 3.5 260 159 A 15 GLU H A 15 GLU HBx 1.0 1.8 3.5 261 159 A 15 GLU H A 15 GLU HBy 1.0 1.8 3.5 262 160 A 14 TYR HBy A 15 GLU HBx 1.0 1.8 6.0 263 160 A 14 TYR HBx A 15 GLU HBx 1.0 1.8 6.0 264 160 A 15 GLU HBy A 14 TYR HBx 1.0 1.8 6.0 265 160 A 14 TYR HBy A 15 GLU HBy 1.0 1.8 6.0 266 161 A 14 TYR H A 15 GLU HBx 1.0 1.8 6.0 267 161 A 14 TYR H A 15 GLU HBy 1.0 1.8 6.0 268 162 A 15 GLU HBy A 17 PHE HBx 1.0 1.8 6.0 269 162 A 17 PHE HBx A 15 GLU HBx 1.0 1.8 6.0 270 163 A 15 GLU HBx A 17 PHE HBy 1.0 1.8 6.0 271 163 A 15 GLU HBy A 17 PHE HBy 1.0 1.8 6.0 272 164 A 15 GLU HGx A 16 CYS HBy 1.0 1.8 6.0 273 164 A 15 GLU HGy A 16 CYS HBy 1.0 1.8 6.0 274 164 A 16 CYS HBx A 15 GLU HGx 1.0 1.8 6.0 275 164 A 15 GLU HGy A 16 CYS HBx 1.0 1.8 6.0 276 165 A 15 GLU HGx A 17 PHE HBy 1.0 1.8 6.0 277 165 A 15 GLU HGy A 17 PHE HBy 1.0 1.8 6.0 278 165 A 17 PHE HBx A 15 GLU HGx 1.0 1.8 6.0 279 165 A 15 GLU HGy A 17 PHE HBx 1.0 1.8 6.0 280 166 A 15 GLU HBy A 16 CYS HBy 1.0 1.8 6.0 281 166 A 15 GLU HBx A 16 CYS HBy 1.0 1.8 6.0 282 166 A 16 CYS HBx A 15 GLU HBx 1.0 1.8 6.0 283 166 A 15 GLU HBy A 16 CYS HBx 1.0 1.8 6.0 284 167 A 16 CYS HA A 16 CYS H 1.0 1.8 3.5 285 168 A 16 CYS HA A 16 CYS HBy 1.0 1.8 2.9 286 168 A 16 CYS HBx A 16 CYS HA 1.0 1.8 2.9 287 169 A 16 CYS H A 16 CYS HBy 1.0 1.8 3.5 288 169 A 16 CYS HBx A 16 CYS H 1.0 1.8 3.5 289 170 A 15 GLU H A 16 CYS H 1.0 1.8 3.5 290 171 A 17 PHE H A 16 CYS HBy 1.0 1.8 6.0 291 171 A 16 CYS HBx A 17 PHE H 1.0 1.8 6.0 292 172 A 14 TYR H A 16 CYS HBy 1.0 1.8 6.0 293 172 A 14 TYR H A 16 CYS HBx 1.0 1.8 6.0 294 173 A 16 CYS HBy A 23 TYR HBx 1.0 1.8 6.0 295 173 A 16 CYS HBx A 23 TYR HBx 1.0 1.8 6.0 296 173 A 23 TYR HBy A 16 CYS HBy 1.0 1.8 6.0 297 173 A 16 CYS HBx A 23 TYR HBy 1.0 1.8 6.0 298 174 A 38 CYS H A 16 CYS HBy 1.0 1.8 6.0 299 174 A 16 CYS HBx A 38 CYS H 1.0 1.8 6.0 300 175 A 16 CYS HA A 24 CYS HBy 1.0 1.8 6.0 301 175 A 16 CYS HA A 24 CYS HBx 1.0 1.8 6.0 302 176 A 14 TYR HE% A 16 CYS HA 1.0 1.8 6.0 303 177 A 17 PHE H A 17 PHE HBy 1.0 1.8 3.5 304 177 A 17 PHE HBx A 17 PHE H 1.0 1.8 3.5 305 178 A 17 PHE HA A 18 ASP H 1.0 1.8 3.5 306 179 A 17 PHE HE% A 24 CYS H 1.0 1.8 6.0 307 180 A 17 PHE HZ A 18 ASP HA 1.0 1.8 6.0 308 181 A 18 ASP H A 18 ASP HA 1.0 1.8 2.9 309 182 A 18 ASP H A 18 ASP HBx 1.0 1.8 2.9 310 182 A 18 ASP H A 18 ASP HBy 1.0 1.8 2.9 311 183 A 18 ASP H A 23 TYR HBx 1.0 1.8 6.0 312 183 A 23 TYR HBy A 18 ASP H 1.0 1.8 6.0 313 184 A 18 ASP HA A 17 PHE HDy 1.0 1.8 6.0 314 185 A 17 PHE HDx A 18 ASP HBx 1.0 1.8 6.0 315 185 A 18 ASP HBy A 17 PHE HDx 1.0 1.8 6.0 316 186 A 17 PHE HZ A 18 ASP HBx 1.0 1.8 6.0 317 186 A 17 PHE HZ A 18 ASP HBy 1.0 1.8 6.0 318 187 A 19 ALA HB% A 18 ASP HBx 1.0 1.8 6.0 319 187 A 18 ASP HBy A 19 ALA HB% 1.0 1.8 6.0 320 188 A 18 ASP HA A 19 ALA H 1.0 1.8 3.5 321 189 A 19 ALA H A 19 ALA HA 1.0 1.8 3.5 322 190 A 19 ALA HB% A 19 ALA H 1.0 1.8 3.5 323 191 A 19 ALA HB% A 19 ALA HA 1.0 1.8 3.5 324 192 A 19 ALA HA A 20 PHE H 1.0 1.8 3.5 325 193 A 19 ALA HA A 38 CYS HBx 1.0 1.8 6.0 326 193 A 19 ALA HA A 38 CYS HBy 1.0 1.8 6.0 327 194 A 17 PHE H A 19 ALA HB% 1.0 1.8 6.0 328 195 A 18 ASP H A 19 ALA HB% 1.0 1.8 6.0 329 196 A 19 ALA HB% A 20 PHE HD% 1.0 1.8 6.0 330 197 A 19 ALA HB% A 21 SER HBy 1.0 1.8 6.0 331 197 A 19 ALA HB% A 21 SER HBx 1.0 1.8 6.0 332 198 A 19 ALA HB% A 25 ASN HBy 1.0 1.8 6.0 333 198 A 19 ALA HB% A 25 ASN HBx 1.0 1.8 6.0 334 199 A 19 ALA HB% A 25 ASN HD2x 1.0 1.8 6.0 335 199 A 19 ALA HB% A 25 ASN HD2y 1.0 1.8 6.0 336 200 A 19 ALA HB% A 26 GLY H 1.0 1.8 6.0 337 201 A 19 ALA H A 38 CYS HBx 1.0 1.8 6.0 338 201 A 19 ALA H A 38 CYS HBy 1.0 1.8 6.0 339 202 A 19 ALA H A 23 TYR H 1.0 1.8 6.0 340 203 A 20 PHE H A 20 PHE HA 1.0 1.8 2.9 341 204 A 20 PHE H A 20 PHE HBx 1.0 1.8 3.5 342 204 A 20 PHE H A 20 PHE HBy 1.0 1.8 3.5 343 205 A 20 PHE HBy A 21 SER HBy 1.0 1.8 6.0 344 205 A 20 PHE HBx A 21 SER HBy 1.0 1.8 6.0 345 205 A 21 SER HBx A 20 PHE HBx 1.0 1.8 6.0 346 205 A 21 SER HBx A 20 PHE HBy 1.0 1.8 6.0 347 206 A 21 SER HA A 21 SER H 1.0 1.8 2.9 348 207 A 21 SER H A 21 SER HBy 1.0 1.8 2.9 349 207 A 21 SER HBx A 21 SER H 1.0 1.8 2.9 350 208 A 21 SER HA A 22 SER H 1.0 1.8 3.5 351 209 A 20 PHE H A 21 SER H 1.0 1.8 2.9 352 210 A 21 SER HA A 22 SER HA 1.0 1.8 6.0 353 211 A 22 SER H A 22 SER HA 1.0 1.8 2.9 354 212 A 22 SER H A 22 SER HBx 1.0 1.8 6.0 355 213 A 22 SER H A 22 SER HBy 1.0 1.8 6.0 356 214 A 24 CYS H A 22 SER H 1.0 1.8 6.0 357 215 A 23 TYR H A 22 SER HA 1.0 1.8 6.0 358 216 A 24 CYS H A 22 SER HA 1.0 1.8 6.0 359 217 A 22 SER HA A 25 ASN H 1.0 1.8 6.0 360 218 A 26 GLY H A 22 SER HA 1.0 1.8 6.0 361 219 A 22 SER HA A 25 ASN HBy 1.0 1.8 6.0 362 219 A 25 ASN HBx A 22 SER HA 1.0 1.8 6.0 363 220 A 23 TYR H A 22 SER HBx 1.0 1.8 6.0 364 220 A 23 TYR H A 22 SER HBy 1.0 1.8 6.0 365 221 A 23 TYR HA A 22 SER HBx 1.0 1.8 6.0 366 221 A 22 SER HBy A 23 TYR HA 1.0 1.8 6.0 367 222 A 19 ALA HA A 22 SER HBx 1.0 1.8 6.0 368 222 A 19 ALA HA A 22 SER HBy 1.0 1.8 6.0 369 223 A 25 ASN H A 22 SER HBx 1.0 1.8 6.0 370 223 A 25 ASN H A 22 SER HBy 1.0 1.8 6.0 371 224 A 23 TYR HE% A 23 TYR HBx 1.0 1.8 6.0 372 224 A 23 TYR HBy A 23 TYR HE% 1.0 1.8 6.0 373 225 A 23 TYR H A 23 TYR HBx 1.0 1.8 3.5 374 226 A 23 TYR HBy A 23 TYR H 1.0 1.8 3.5 375 227 A 24 CYS H A 23 TYR H 1.0 1.8 3.5 376 228 A 23 TYR H A 25 ASN H 1.0 1.8 6.0 377 229 A 17 PHE HDx A 23 TYR HA 1.0 1.8 6.0 378 229 A 17 PHE HDy A 23 TYR HA 1.0 1.8 6.0 379 230 A 24 CYS H A 23 TYR HA 1.0 1.8 3.5 380 231 A 23 TYR HA A 24 CYS HA 1.0 1.8 6.0 381 232 A 25 ASN H A 23 TYR HA 1.0 1.8 6.0 382 233 A 26 GLY H A 23 TYR HA 1.0 1.8 6.0 383 234 A 23 TYR HA A 26 GLY HAy 1.0 1.8 6.0 384 234 A 23 TYR HA A 26 GLY HAx 1.0 1.8 6.0 385 235 A 24 CYS H A 23 TYR HBx 1.0 1.8 2.9 386 235 A 23 TYR HBy A 24 CYS H 1.0 1.8 2.9 387 236 A 19 ALA HA A 23 TYR HBx 1.0 1.8 6.0 388 236 A 23 TYR HBy A 19 ALA HA 1.0 1.8 6.0 389 237 A 23 TYR HD% A 25 ASN HD2x 1.0 1.8 6.0 390 237 A 23 TYR HD% A 25 ASN HD2y 1.0 1.8 6.0 391 238 A 23 TYR HD% A 27 VAL H 1.0 1.8 6.0 392 239 A 23 TYR HE% A 27 VAL H 1.0 1.8 6.0 393 240 A 23 TYR HE% A 16 CYS HBy 1.0 1.8 6.0 394 240 A 16 CYS HBx A 23 TYR HE% 1.0 1.8 6.0 395 241 A 24 CYS H A 24 CYS HA 1.0 1.8 3.5 396 242 A 24 CYS H A 24 CYS HBy 1.0 1.8 3.5 397 242 A 24 CYS HBx A 24 CYS H 1.0 1.8 3.5 398 243 A 24 CYS H A 25 ASN H 1.0 1.8 3.5 399 244 A 24 CYS H A 26 GLY H 1.0 1.8 6.0 400 245 A 25 ASN H A 24 CYS HA 1.0 1.8 3.5 401 246 A 26 GLY H A 24 CYS HA 1.0 1.8 6.0 402 247 A 24 CYS HA A 27 VAL H 1.0 1.8 6.0 403 248 A 24 CYS HA A 28 CYS H 1.0 1.8 6.0 404 249 A 24 CYS HA A 27 VAL HB 1.0 1.8 6.0 405 250 A 23 TYR HE% A 24 CYS HBy 1.0 1.8 6.0 406 250 A 24 CYS HBx A 23 TYR HE% 1.0 1.8 6.0 407 251 A 25 ASN HD2x A 24 CYS HBy 1.0 1.8 3.5 408 251 A 24 CYS HBx A 25 ASN HD2x 1.0 1.8 3.5 409 252 A 25 ASN HD2y A 24 CYS HBy 1.0 1.8 3.5 410 252 A 24 CYS HBx A 25 ASN HD2y 1.0 1.8 3.5 411 253 A 25 ASN H A 24 CYS HBy 1.0 1.8 2.9 412 253 A 24 CYS HBx A 25 ASN H 1.0 1.8 2.9 413 254 A 38 CYS H A 24 CYS HBy 1.0 1.8 6.0 414 254 A 38 CYS H A 24 CYS HBx 1.0 1.8 6.0 415 255 A 38 CYS HA A 24 CYS HBy 1.0 1.8 6.0 416 255 A 24 CYS HBx A 38 CYS HA 1.0 1.8 6.0 417 256 A 25 ASN H A 25 ASN HA 1.0 1.8 2.9 418 257 A 25 ASN HA A 25 ASN HBy 1.0 1.8 2.9 419 257 A 25 ASN HBx A 25 ASN HA 1.0 1.8 2.9 420 258 A 25 ASN H A 25 ASN HBy 1.0 1.8 3.5 421 258 A 25 ASN HBx A 25 ASN H 1.0 1.8 3.5 422 259 A 25 ASN H A 27 VAL H 1.0 1.8 6.0 423 260 A 26 GLY H A 25 ASN HA 1.0 1.8 3.5 424 261 A 25 ASN HA A 28 CYS HBy 1.0 1.8 6.0 425 261 A 25 ASN HA A 28 CYS HBx 1.0 1.8 6.0 426 262 A 26 GLY H A 25 ASN HBy 1.0 1.8 6.0 427 262 A 25 ASN HBx A 26 GLY H 1.0 1.8 6.0 428 263 A 26 GLY H A 26 GLY HAy 1.0 1.8 2.9 429 263 A 26 GLY H A 26 GLY HAx 1.0 1.8 2.9 430 264 A 26 GLY H A 25 ASN H 1.0 1.8 2.9 431 265 A 26 GLY H A 27 VAL H 1.0 1.8 2.9 432 266 A 27 VAL HA A 26 GLY HAy 1.0 1.8 6.0 433 266 A 26 GLY HAx A 27 VAL HA 1.0 1.8 6.0 434 267 A 28 CYS H A 26 GLY HAy 1.0 1.8 6.0 435 267 A 26 GLY HAx A 28 CYS H 1.0 1.8 6.0 436 268 A 29 THR H A 26 GLY HAy 1.0 1.8 6.0 437 268 A 26 GLY HAx A 29 THR H 1.0 1.8 6.0 438 269 A 30 LYS H A 26 GLY HAy 1.0 1.8 6.0 439 269 A 26 GLY HAx A 30 LYS H 1.0 1.8 6.0 440 270 A 29 THR HB A 26 GLY HAy 1.0 1.8 6.0 441 270 A 26 GLY HAx A 29 THR HB 1.0 1.8 6.0 442 271 A 27 VAL HB A 26 GLY HAy 1.0 1.8 6.0 443 271 A 26 GLY HAx A 27 VAL HB 1.0 1.8 6.0 444 272 A 26 GLY HAx A 30 LYS HDx 1.0 1.8 6.0 445 272 A 26 GLY HAy A 30 LYS HDx 1.0 1.8 6.0 446 272 A 30 LYS HDy A 26 GLY HAy 1.0 1.8 6.0 447 272 A 26 GLY HAx A 30 LYS HDy 1.0 1.8 6.0 448 273 A 27 VAL H A 27 VAL HA 1.0 1.8 2.9 449 274 A 27 VAL H A 27 VAL HB 1.0 1.8 2.9 450 275 A 27 VAL HGx% A 27 VAL HA 1.0 1.8 3.5 451 276 A 27 VAL HA A 27 VAL HGy% 1.0 1.8 3.5 452 277 A 27 VAL HGx% A 27 VAL H 1.0 1.8 6.0 453 278 A 27 VAL H A 27 VAL HGy% 1.0 1.8 6.0 454 279 A 26 GLY H A 27 VAL H 1.0 1.8 2.9 455 280 A 28 CYS H A 27 VAL HA 1.0 1.8 3.5 456 281 A 28 CYS H A 27 VAL HB 1.0 1.8 6.0 457 282 A 27 VAL HA A 28 CYS HA 1.0 1.8 6.0 458 283 A 27 VAL HA A 30 LYS H 1.0 1.8 6.0 459 284 A 27 VAL HA A 30 LYS HBy 1.0 1.8 6.0 460 284 A 27 VAL HA A 30 LYS HBx 1.0 1.8 6.0 461 285 A 27 VAL HB A 25 ASN HD2x 1.0 1.8 6.0 462 285 A 27 VAL HB A 25 ASN HD2y 1.0 1.8 6.0 463 286 A 27 VAL HGx% A 24 CYS HBy 1.0 1.8 6.0 464 286 A 27 VAL HGx% A 24 CYS HBx 1.0 1.8 6.0 465 287 A 27 VAL HGy% A 24 CYS HBy 1.0 1.8 6.0 466 287 A 24 CYS HBx A 27 VAL HGy% 1.0 1.8 6.0 467 288 A 27 VAL HGx% A 28 CYS HBy 1.0 1.8 6.0 468 288 A 27 VAL HGx% A 28 CYS HBx 1.0 1.8 6.0 469 289 A 27 VAL HGy% A 28 CYS HBy 1.0 1.8 6.0 470 289 A 28 CYS HBx A 27 VAL HGy% 1.0 1.8 6.0 471 290 A 27 VAL HGy% A 26 GLY HAy 1.0 1.8 6.0 472 290 A 26 GLY HAx A 27 VAL HGy% 1.0 1.8 6.0 473 291 A 26 GLY H A 27 VAL HGy% 1.0 1.8 6.0 474 291 A 27 VAL HGx% A 26 GLY H 1.0 1.8 6.0 475 292 A 26 GLY H A 27 VAL HGy% 1.0 1.8 6.0 476 293 A 23 TYR HE% A 27 VAL HGy% 1.0 1.8 6.0 477 294 A 28 CYS H A 28 CYS HA 1.0 1.8 2.9 478 295 A 28 CYS H A 28 CYS HBy 1.0 1.8 3.5 479 295 A 28 CYS H A 28 CYS HBx 1.0 1.8 3.5 480 296 A 27 VAL H A 28 CYS H 1.0 1.8 3.5 481 297 A 28 CYS H A 30 LYS H 1.0 1.8 6.0 482 298 A 29 THR H A 28 CYS HA 1.0 1.8 3.5 483 299 A 30 LYS H A 28 CYS HA 1.0 1.8 6.0 484 300 A 35 SER H A 28 CYS HBy 1.0 1.8 6.0 485 300 A 28 CYS HBx A 35 SER H 1.0 1.8 6.0 486 301 A 26 GLY H A 28 CYS HBy 1.0 1.8 6.0 487 301 A 26 GLY H A 28 CYS HBx 1.0 1.8 6.0 488 302 A 27 VAL HA A 28 CYS HBy 1.0 1.8 6.0 489 302 A 28 CYS HBx A 27 VAL HA 1.0 1.8 6.0 490 303 A 27 VAL H A 28 CYS HBy 1.0 1.8 6.0 491 303 A 27 VAL H A 28 CYS HBx 1.0 1.8 6.0 492 304 A 35 SER HA A 28 CYS HBy 1.0 1.8 6.0 493 304 A 28 CYS HBx A 35 SER HA 1.0 1.8 6.0 494 305 A 29 THR H A 29 THR HA 1.0 1.8 3.5 495 306 A 29 THR H A 29 THR HA 1.0 1.8 6.0 496 307 A 29 THR H A 29 THR HG2% 1.0 1.8 3.5 497 307 A 29 THR H A 29 THR HG1 1.0 1.8 3.5 498 308 A 30 LYS H A 29 THR HA 1.0 1.8 3.5 499 309 A 29 THR HB A 30 LYS HA 1.0 1.8 6.0 500 310 A 30 LYS H A 30 LYS HA 1.0 1.8 2.9 501 311 A 30 LYS HA A 30 LYS HBy 1.0 1.8 3.5 502 311 A 30 LYS HBx A 30 LYS HA 1.0 1.8 3.5 503 312 A 30 LYS H A 30 LYS HBy 1.0 1.8 2.9 504 312 A 30 LYS H A 30 LYS HBx 1.0 1.8 2.9 505 313 A 30 LYS HBx A 30 LYS HEx 1.0 1.8 3.5 506 313 A 30 LYS HBy A 30 LYS HEx 1.0 1.8 3.5 507 313 A 30 LYS HEy A 30 LYS HBy 1.0 1.8 3.5 508 313 A 30 LYS HBx A 30 LYS HEy 1.0 1.8 3.5 509 314 A 30 LYS H A 30 LYS HGx 1.0 1.8 3.5 510 314 A 30 LYS H A 30 LYS HGy 1.0 1.8 3.5 511 315 A 30 LYS H A 30 LYS HDx 1.0 1.8 6.0 512 315 A 30 LYS H A 30 LYS HDy 1.0 1.8 6.0 513 316 A 30 LYS H A 30 LYS HEx 1.0 1.8 6.0 514 316 A 30 LYS H A 30 LYS HEy 1.0 1.8 6.0 515 317 A 30 LYS HA A 31 ASN H 1.0 1.8 3.5 516 318 A 27 VAL HA A 30 LYS HBy 1.0 1.8 6.0 517 318 A 27 VAL HA A 30 LYS HBx 1.0 1.8 6.0 518 319 A 26 GLY HAx A 30 LYS HBy 1.0 1.8 6.0 519 319 A 26 GLY HAy A 30 LYS HBy 1.0 1.8 6.0 520 319 A 30 LYS HBx A 26 GLY HAy 1.0 1.8 6.0 521 319 A 26 GLY HAx A 30 LYS HBx 1.0 1.8 6.0 522 320 A 29 THR H A 30 LYS HBx 1.0 1.8 6.0 523 321 A 26 GLY HAx A 30 LYS HDx 1.0 1.8 6.0 524 321 A 26 GLY HAy A 30 LYS HDx 1.0 1.8 6.0 525 321 A 30 LYS HDy A 26 GLY HAy 1.0 1.8 6.0 526 321 A 26 GLY HAx A 30 LYS HDy 1.0 1.8 6.0 527 322 A 29 THR HB A 30 LYS HDy 1.0 1.8 3.5 528 322 A 29 THR HB A 30 LYS HDx 1.0 1.8 3.5 529 323 A 31 ASN H A 30 LYS HDx 1.0 1.8 6.0 530 323 A 30 LYS HDy A 31 ASN H 1.0 1.8 6.0 531 324 A 29 THR HB A 30 LYS HGy 1.0 1.8 6.0 532 324 A 29 THR HB A 30 LYS HGx 1.0 1.8 6.0 533 325 A 30 LYS H A 33 ALA H 1.0 1.8 6.0 534 326 A 32 GLY H A 30 LYS HBy 1.0 1.8 6.0 535 326 A 30 LYS HBx A 32 GLY H 1.0 1.8 6.0 536 327 A 31 ASN H A 31 ASN HBy 1.0 1.8 3.5 537 327 A 31 ASN H A 31 ASN HBx 1.0 1.8 3.5 538 328 A 31 ASN HBx A 31 ASN HD2y 1.0 1.8 6.0 539 328 A 31 ASN HBy A 31 ASN HD2y 1.0 1.8 6.0 540 328 A 31 ASN HD2x A 31 ASN HBy 1.0 1.8 6.0 541 328 A 31 ASN HBx A 31 ASN HD2x 1.0 1.8 6.0 542 329 A 31 ASN H A 31 ASN HD2y 1.0 1.8 6.0 543 329 A 31 ASN H A 31 ASN HD2x 1.0 1.8 6.0 544 330 A 33 ALA H A 31 ASN HD2x 1.0 1.8 6.0 545 330 A 33 ALA H A 31 ASN HD2y 1.0 1.8 6.0 546 331 A 32 GLY H A 32 GLY HAy 1.0 1.8 2.9 547 331 A 32 GLY H A 32 GLY HAx 1.0 1.8 2.9 548 332 A 33 ALA H A 32 GLY HAy 1.0 1.8 2.9 549 332 A 33 ALA H A 32 GLY HAx 1.0 1.8 2.9 550 333 A 33 ALA HB% A 32 GLY HAy 1.0 1.8 6.0 551 333 A 32 GLY HAx A 33 ALA HB% 1.0 1.8 6.0 552 334 A 31 ASN H A 32 GLY H 1.0 1.8 2.9 553 335 A 32 GLY HAx A 29 THR HG2% 1.0 1.8 6.0 554 335 A 29 THR HG2% A 32 GLY HAy 1.0 1.8 6.0 555 336 A 33 ALA H A 33 ALA HA 1.0 1.8 2.9 556 337 A 33 ALA HB% A 33 ALA HA 1.0 1.8 2.9 557 338 A 33 ALA H A 33 ALA HB% 1.0 1.8 2.9 558 339 A 33 ALA H A 32 GLY H 1.0 1.8 2.9 559 340 A 32 GLY H A 33 ALA HA 1.0 1.8 6.0 560 341 A 33 ALA HA A 34 LYS H 1.0 1.8 6.0 561 342 A 33 ALA HA A 34 LYS HA 1.0 1.8 6.0 562 343 A 35 SER H A 33 ALA HA 1.0 1.8 6.0 563 344 A 33 ALA HA A 34 LYS HA 1.0 1.8 6.0 564 345 A 32 GLY H A 33 ALA HB% 1.0 1.8 6.0 565 346 A 33 ALA HB% A 34 LYS H 1.0 1.8 2.9 566 347 A 35 SER HA A 33 ALA HB% 1.0 1.8 6.0 567 348 A 34 LYS H A 34 LYS HA 1.0 1.8 3.5 568 349 A 34 LYS H A 34 LYS HBx 1.0 1.8 3.5 569 349 A 34 LYS H A 34 LYS HBy 1.0 1.8 3.5 570 350 A 34 LYS HBx A 34 LYS HDx 1.0 1.8 3.5 571 350 A 34 LYS HBy A 34 LYS HDx 1.0 1.8 3.5 572 350 A 34 LYS HDy A 34 LYS HBx 1.0 1.8 3.5 573 350 A 34 LYS HBy A 34 LYS HDy 1.0 1.8 3.5 574 351 A 34 LYS H A 34 LYS HDy 1.0 1.8 6.0 575 352 A 34 LYS H A 34 LYS HDx 1.0 1.8 6.0 576 353 A 34 LYS H A 34 LYS HEx 1.0 1.8 6.0 577 353 A 34 LYS H A 34 LYS HEy 1.0 1.8 6.0 578 354 A 34 LYS HEy A 34 LYS HGy 1.0 1.8 2.9 579 354 A 34 LYS HEx A 34 LYS HGy 1.0 1.8 2.9 580 354 A 34 LYS HGx A 34 LYS HEx 1.0 1.8 2.9 581 354 A 34 LYS HEy A 34 LYS HGx 1.0 1.8 2.9 582 355 A 34 LYS H A 34 LYS HGy 1.0 1.8 6.0 583 356 A 34 LYS H A 34 LYS HGx 1.0 1.8 6.0 584 357 A 35 SER H A 34 LYS HDx 1.0 1.8 6.0 585 357 A 35 SER H A 34 LYS HDy 1.0 1.8 6.0 586 358 A 35 SER H A 34 LYS HBx 1.0 1.8 6.0 587 358 A 35 SER H A 34 LYS HBy 1.0 1.8 6.0 588 359 A 51 ILE H A 34 LYS HDx 1.0 1.8 6.0 589 359 A 34 LYS HDy A 51 ILE H 1.0 1.8 6.0 590 360 A 51 ILE HA A 34 LYS HEx 1.0 1.8 6.0 591 360 A 51 ILE HA A 34 LYS HEy 1.0 1.8 6.0 592 361 A 52 ALA HA A 34 LYS HEx 1.0 1.8 6.0 593 361 A 34 LYS HEy A 52 ALA HA 1.0 1.8 6.0 594 362 A 33 ALA HB% A 34 LYS HDx 1.0 1.8 6.0 595 362 A 33 ALA HB% A 34 LYS HDy 1.0 1.8 6.0 596 363 A 36 GLY H A 34 LYS HDx 1.0 1.8 6.0 597 363 A 34 LYS HDy A 36 GLY H 1.0 1.8 6.0 598 364 A 35 SER H A 35 SER HA 1.0 1.8 2.9 599 365 A 35 SER HA A 35 SER HBx 1.0 1.8 2.9 600 365 A 35 SER HA A 35 SER HBy 1.0 1.8 2.9 601 366 A 35 SER H A 35 SER HBx 1.0 1.8 3.5 602 366 A 35 SER H A 35 SER HBy 1.0 1.8 3.5 603 367 A 35 SER H A 51 ILE H 1.0 1.8 6.0 604 368 A 35 SER HA A 36 GLY H 1.0 1.8 6.0 605 369 A 29 THR H A 35 SER HA 1.0 1.8 6.0 606 370 A 37 TYR HD% A 35 SER HBx 1.0 1.8 6.0 607 370 A 35 SER HBy A 37 TYR HD% 1.0 1.8 6.0 608 371 A 25 ASN HD2x A 35 SER HBy 1.0 1.8 6.0 609 371 A 25 ASN HD2y A 35 SER HBy 1.0 1.8 6.0 610 371 A 25 ASN HD2x A 35 SER HBx 1.0 1.8 6.0 611 371 A 25 ASN HD2y A 35 SER HBx 1.0 1.8 6.0 612 372 A 36 GLY H A 36 GLY HAx 1.0 1.8 2.9 613 373 A 36 GLY H A 36 GLY HAy 1.0 1.8 2.9 614 374 A 51 ILE H A 36 GLY HAx 1.0 1.8 6.0 615 374 A 51 ILE H A 36 GLY HAy 1.0 1.8 6.0 616 375 A 37 TYR H A 36 GLY HAx 1.0 1.8 2.9 617 375 A 36 GLY HAy A 37 TYR H 1.0 1.8 2.9 618 376 A 50 CYS HA A 36 GLY HAx 1.0 1.8 6.0 619 377 A 36 GLY HAy A 50 CYS HA 1.0 1.8 6.0 620 378 A 37 TYR HA A 36 GLY HAx 1.0 1.8 6.0 621 378 A 36 GLY HAy A 37 TYR HA 1.0 1.8 6.0 622 379 A 37 TYR HD% A 37 TYR HA 1.0 1.8 3.5 623 380 A 37 TYR HD% A 37 TYR HBx 1.0 1.8 3.5 624 380 A 37 TYR HD% A 37 TYR HBy 1.0 1.8 3.5 625 381 A 37 TYR H A 37 TYR HBx 1.0 1.8 3.5 626 381 A 37 TYR H A 37 TYR HBy 1.0 1.8 3.5 627 382 A 38 CYS H A 37 TYR H 1.0 1.8 6.0 628 383 A 37 TYR H A 38 CYS HBx 1.0 1.8 6.0 629 383 A 38 CYS HBy A 37 TYR H 1.0 1.8 6.0 630 384 A 49 TRP HA A 37 TYR H 1.0 1.8 6.0 631 385 A 37 TYR H A 51 ILE HG1x 1.0 1.8 6.0 632 385 A 37 TYR H A 51 ILE HG1y 1.0 1.8 6.0 633 386 A 38 CYS H A 37 TYR HA 1.0 1.8 6.0 634 387 A 37 TYR HA A 39 GLN H 1.0 1.8 6.0 635 388 A 25 ASN HD2x A 37 TYR HD% 1.0 1.8 6.0 636 388 A 25 ASN HD2y A 37 TYR HD% 1.0 1.8 6.0 637 389 A 37 TYR HD% A 39 GLN HE2y 1.0 1.8 6.0 638 389 A 37 TYR HD% A 39 GLN HE2x 1.0 1.8 6.0 639 390 A 49 TRP HA A 37 TYR HD% 1.0 1.8 6.0 640 391 A 49 TRP HD1 A 37 TYR HD% 1.0 1.8 6.0 641 392 A 37 TYR HE% A 49 TRP HE1 1.0 1.8 6.0 642 393 A 49 TRP HD1 A 37 TYR HE% 1.0 1.8 6.0 643 394 A 37 TYR HE% A 51 ILE HG2% 1.0 1.8 6.0 644 395 A 38 CYS H A 38 CYS HBx 1.0 1.8 6.0 645 395 A 38 CYS H A 38 CYS HBy 1.0 1.8 6.0 646 396 A 38 CYS HA A 39 GLN H 1.0 1.8 2.9 647 397 A 38 CYS HA A 49 TRP H 1.0 1.8 6.0 648 398 A 38 CYS HA A 48 CYS HA 1.0 1.8 6.0 649 399 A 37 TYR HA A 38 CYS HBx 1.0 1.8 6.0 650 399 A 38 CYS HBy A 37 TYR HA 1.0 1.8 6.0 651 400 A 39 GLN HA A 38 CYS HBx 1.0 1.8 6.0 652 400 A 38 CYS HBy A 39 GLN HA 1.0 1.8 6.0 653 401 A 48 CYS H A 38 CYS HBx 1.0 1.8 6.0 654 401 A 38 CYS HBy A 48 CYS H 1.0 1.8 6.0 655 402 A 39 GLN H A 39 GLN HA 1.0 1.8 3.5 656 403 A 39 GLN HBy A 39 GLN HE2y 1.0 1.8 3.5 657 403 A 39 GLN HE2x A 39 GLN HBy 1.0 1.8 3.5 658 403 A 39 GLN HBx A 39 GLN HE2y 1.0 1.8 3.5 659 403 A 39 GLN HE2x A 39 GLN HBx 1.0 1.8 3.5 660 404 A 39 GLN H A 39 GLN HBx 1.0 1.8 3.5 661 404 A 39 GLN H A 39 GLN HBy 1.0 1.8 3.5 662 405 A 39 GLN HE2x A 39 GLN HA 1.0 1.8 6.0 663 405 A 39 GLN HA A 39 GLN HE2y 1.0 1.8 6.0 664 406 A 39 GLN HE2y A 39 GLN HGy 1.0 1.8 3.5 665 406 A 39 GLN HE2x A 39 GLN HGy 1.0 1.8 3.5 666 406 A 39 GLN HE2x A 39 GLN HGx 1.0 1.8 3.5 667 406 A 39 GLN HGx A 39 GLN HE2y 1.0 1.8 3.5 668 407 A 39 GLN H A 39 GLN HGy 1.0 1.8 6.0 669 407 A 39 GLN H A 39 GLN HGx 1.0 1.8 6.0 670 408 A 38 CYS HA A 39 GLN H 1.0 1.8 3.5 671 409 A 47 GLY H A 39 GLN H 1.0 1.8 6.0 672 410 A 39 GLN H A 48 CYS HA 1.0 1.8 6.0 673 411 A 39 GLN HA A 40 ILE H 1.0 1.8 3.5 674 412 A 39 GLN HA A 38 CYS HBx 1.0 1.8 6.0 675 412 A 38 CYS HBy A 39 GLN HA 1.0 1.8 6.0 676 413 A 37 TYR HBy A 39 GLN HBx 1.0 1.8 6.0 677 413 A 37 TYR HBx A 39 GLN HBx 1.0 1.8 6.0 678 413 A 39 GLN HBy A 37 TYR HBx 1.0 1.8 6.0 679 413 A 37 TYR HBy A 39 GLN HBy 1.0 1.8 6.0 680 414 A 49 TRP HH2 A 39 GLN HBx 1.0 1.8 6.0 681 414 A 39 GLN HBy A 49 TRP HH2 1.0 1.8 6.0 682 415 A 49 TRP HZ3 A 39 GLN HBx 1.0 1.8 6.0 683 415 A 39 GLN HBy A 49 TRP HZ3 1.0 1.8 6.0 684 416 A 40 ILE H A 39 GLN HGy 1.0 1.8 6.0 685 416 A 39 GLN HGx A 40 ILE H 1.0 1.8 6.0 686 417 A 38 CYS HBx A 39 GLN HGy 1.0 1.8 6.0 687 417 A 38 CYS HBy A 39 GLN HGy 1.0 1.8 6.0 688 417 A 39 GLN HGx A 38 CYS HBx 1.0 1.8 6.0 689 417 A 38 CYS HBy A 39 GLN HGx 1.0 1.8 6.0 690 418 A 40 ILE HA A 39 GLN HGy 1.0 1.8 6.0 691 418 A 39 GLN HGx A 40 ILE HA 1.0 1.8 6.0 692 419 A 40 ILE HA A 39 GLN HGy 1.0 1.8 6.0 693 419 A 39 GLN HGx A 40 ILE HA 1.0 1.8 6.0 694 420 A 39 GLN HGx A 46 ASN HD2x 1.0 1.8 6.0 695 420 A 39 GLN HGx A 46 ASN HD2y 1.0 1.8 6.0 696 420 A 46 ASN HD2x A 39 GLN HGy 1.0 1.8 6.0 697 420 A 39 GLN HGy A 46 ASN HD2y 1.0 1.8 6.0 698 421 A 39 GLN HE2x A 40 ILE H 1.0 1.8 6.0 699 421 A 40 ILE H A 39 GLN HE2y 1.0 1.8 6.0 700 422 A 39 GLN HE2x A 49 TRP HZ2 1.0 1.8 6.0 701 422 A 49 TRP HZ2 A 39 GLN HE2y 1.0 1.8 6.0 702 423 A 39 GLN HE2x A 49 TRP HZ3 1.0 1.8 6.0 703 423 A 49 TRP HZ3 A 39 GLN HE2y 1.0 1.8 6.0 704 424 A 49 TRP HD1 A 39 GLN HE2x 1.0 1.8 6.0 705 424 A 49 TRP HD1 A 39 GLN HE2y 1.0 1.8 6.0 706 425 A 40 ILE HG2% A 39 GLN HE2y 1.0 1.8 6.0 707 425 A 39 GLN HE2x A 40 ILE HG2% 1.0 1.8 6.0 708 426 A 40 ILE H A 40 ILE HB 1.0 1.8 6.0 709 427 A 40 ILE H A 40 ILE HD1% 1.0 1.8 6.0 710 428 A 40 ILE H A 40 ILE HG2% 1.0 1.8 6.0 711 429 A 40 ILE HG1y A 40 ILE HG2% 1.0 1.8 3.5 712 429 A 40 ILE HG2% A 40 ILE HG1x 1.0 1.8 3.5 713 430 A 40 ILE H A 40 ILE HG1y 1.0 1.8 6.0 714 430 A 40 ILE H A 40 ILE HG1x 1.0 1.8 6.0 715 431 A 40 ILE HD1% A 40 ILE HG2% 1.0 1.8 3.5 716 432 A 40 ILE HA A 40 ILE HG2% 1.0 1.8 3.5 717 433 A 47 GLY H A 40 ILE HA 1.0 1.8 6.0 718 434 A 40 ILE HA A 46 ASN HA 1.0 1.8 6.0 719 435 A 40 ILE HB A 41 LEU HA 1.0 1.8 6.0 720 436 A 39 GLN HBx A 40 ILE HG1x 1.0 1.8 6.0 721 436 A 39 GLN HBy A 40 ILE HG1y 1.0 1.8 6.0 722 436 A 39 GLN HBy A 40 ILE HG1x 1.0 1.8 6.0 723 436 A 40 ILE HG1y A 39 GLN HBx 1.0 1.8 6.0 724 437 A 39 GLN HE2x A 40 ILE HG1y 1.0 1.8 6.0 725 437 A 39 GLN HE2y A 40 ILE HG1x 1.0 1.8 6.0 726 437 A 40 ILE HG1y A 39 GLN HE2y 1.0 1.8 6.0 727 437 A 39 GLN HE2x A 40 ILE HG1x 1.0 1.8 6.0 728 438 A 46 ASN HD2x A 40 ILE HG1x 1.0 1.8 6.0 729 438 A 40 ILE HG1x A 46 ASN HD2y 1.0 1.8 6.0 730 438 A 40 ILE HG1y A 46 ASN HD2y 1.0 1.8 6.0 731 438 A 40 ILE HG1y A 46 ASN HD2x 1.0 1.8 6.0 732 439 A 46 ASN HBy A 40 ILE HG2% 1.0 1.8 6.0 733 439 A 40 ILE HG2% A 46 ASN HBx 1.0 1.8 6.0 734 440 A 46 ASN HD2x A 40 ILE HG2% 1.0 1.8 6.0 735 440 A 40 ILE HG2% A 46 ASN HD2y 1.0 1.8 6.0 736 441 A 47 GLY H A 40 ILE HG2% 1.0 1.8 6.0 737 442 A 40 ILE HA A 41 LEU H 1.0 1.8 6.0 738 443 A 40 ILE HA A 46 ASN HD2x 1.0 1.8 6.0 739 443 A 40 ILE HA A 46 ASN HD2y 1.0 1.8 6.0 740 444 A 41 LEU H A 40 ILE HG1y 1.0 1.8 6.0 741 444 A 41 LEU H A 40 ILE HG1x 1.0 1.8 6.0 742 445 A 40 ILE HA A 41 LEU HBy 1.0 1.8 6.0 743 445 A 40 ILE HA A 41 LEU HBx 1.0 1.8 6.0 744 446 A 41 LEU HA A 41 LEU H 1.0 1.8 2.9 745 447 A 41 LEU H A 41 LEU HBy 1.0 1.8 3.5 746 448 A 41 LEU H A 41 LEU HBx 1.0 1.8 3.5 747 449 A 41 LEU HA A 41 LEU HBy 1.0 1.8 6.0 748 449 A 41 LEU HA A 41 LEU HBx 1.0 1.8 6.0 749 450 A 41 LEU HDy% A 41 LEU HBy 1.0 1.8 3.5 750 450 A 41 LEU HBy A 41 LEU HDx% 1.0 1.8 3.5 751 451 A 41 LEU HBx A 41 LEU HDy% 1.0 1.8 3.5 752 451 A 41 LEU HBx A 41 LEU HDx% 1.0 1.8 3.5 753 452 A 41 LEU H A 41 LEU HDx% 1.0 1.8 6.0 754 453 A 41 LEU H A 41 LEU HDy% 1.0 1.8 6.0 755 454 A 41 LEU HG A 41 LEU HBy 1.0 1.8 3.5 756 454 A 41 LEU HG A 41 LEU HBx 1.0 1.8 3.5 757 455 A 41 LEU HG A 41 LEU H 1.0 1.8 6.0 758 456 A 46 ASN H A 41 LEU HA 1.0 1.8 6.0 759 457 A 40 ILE HB A 41 LEU HBy 1.0 1.8 6.0 760 458 A 40 ILE HB A 41 LEU HBx 1.0 1.8 6.0 761 459 A 45 GLY H A 41 LEU HBy 1.0 1.8 6.0 762 459 A 41 LEU HBx A 45 GLY H 1.0 1.8 6.0 763 460 A 41 LEU HBx A 42 GLY HAy 1.0 1.8 6.0 764 460 A 42 GLY HAx A 41 LEU HBy 1.0 1.8 6.0 765 460 A 41 LEU HBx A 42 GLY HAx 1.0 1.8 6.0 766 460 A 41 LEU HBy A 42 GLY HAy 1.0 1.8 6.0 767 461 A 43 THR H A 41 LEU HBy 1.0 1.8 3.5 768 461 A 41 LEU HBx A 43 THR H 1.0 1.8 3.5 769 462 A 41 LEU HDy% A 43 THR HB 1.0 1.8 6.0 770 462 A 43 THR HB A 41 LEU HDx% 1.0 1.8 6.0 771 463 A 44 TYR HD% A 41 LEU HDx% 1.0 1.8 6.0 772 463 A 41 LEU HDy% A 44 TYR HD% 1.0 1.8 6.0 773 464 A 41 LEU HDy% A 47 GLY HAy 1.0 1.8 6.0 774 464 A 41 LEU HDx% A 47 GLY HAy 1.0 1.8 6.0 775 464 A 47 GLY HAx A 41 LEU HDx% 1.0 1.8 6.0 776 464 A 41 LEU HDy% A 47 GLY HAx 1.0 1.8 6.0 777 465 A 45 GLY H A 41 LEU HBy 1.0 1.8 6.0 778 465 A 41 LEU HBx A 45 GLY H 1.0 1.8 6.0 779 466 A 41 LEU HG A 46 ASN HA 1.0 1.8 6.0 780 467 A 41 LEU HG A 47 GLY HAy 1.0 1.8 6.0 781 467 A 41 LEU HG A 47 GLY HAx 1.0 1.8 6.0 782 468 A 41 LEU HG A 43 THR H 1.0 1.8 6.0 783 469 A 41 LEU HG A 46 ASN H 1.0 1.8 6.0 784 470 A 41 LEU HG A 40 ILE HG1x 1.0 1.8 6.0 785 470 A 41 LEU HG A 40 ILE HG2% 1.0 1.8 6.0 786 470 A 41 LEU HG A 40 ILE HG1y 1.0 1.8 6.0 787 471 A 44 TYR HD% A 41 LEU HBy 1.0 1.8 6.0 788 471 A 41 LEU HBx A 44 TYR HD% 1.0 1.8 6.0 789 472 A 44 TYR HD% A 41 LEU HDx% 1.0 1.8 6.0 790 472 A 41 LEU HDy% A 44 TYR HD% 1.0 1.8 6.0 791 473 A 41 LEU HG A 47 GLY HAy 1.0 1.8 6.0 792 473 A 41 LEU HG A 47 GLY HAx 1.0 1.8 6.0 793 474 A 41 LEU HBx A 47 GLY HAy 1.0 1.8 6.0 794 474 A 41 LEU HBy A 47 GLY HAy 1.0 1.8 6.0 795 474 A 47 GLY HAx A 41 LEU HBy 1.0 1.8 6.0 796 474 A 41 LEU HBx A 47 GLY HAx 1.0 1.8 6.0 797 475 A 41 LEU H A 42 GLY H 1.0 1.8 6.0 798 476 A 43 THR HG2% A 42 GLY HAy 1.0 1.8 6.0 799 476 A 43 THR HG1 A 42 GLY HAy 1.0 1.8 6.0 800 476 A 42 GLY HAx A 43 THR HG2% 1.0 1.8 6.0 801 476 A 42 GLY HAx A 43 THR HG1 1.0 1.8 6.0 802 477 A 43 THR H A 43 THR HA 1.0 1.8 2.9 803 478 A 43 THR HG1 A 43 THR HB 1.0 1.8 2.9 804 478 A 43 THR HB A 43 THR HG2% 1.0 1.8 2.9 805 479 A 43 THR H A 43 THR HG2% 1.0 1.8 2.9 806 479 A 43 THR H A 43 THR HG1 1.0 1.8 2.9 807 480 A 43 THR H A 42 GLY H 1.0 1.8 2.9 808 481 A 43 THR HA A 44 TYR H 1.0 1.8 3.5 809 482 A 44 TYR HD% A 43 THR HB 1.0 1.8 6.0 810 483 A 44 TYR H A 43 THR HB 1.0 1.8 6.0 811 484 A 44 TYR HD% A 43 THR HB 1.0 1.8 6.0 812 485 A 43 THR HB A 44 TYR HE% 1.0 1.8 6.0 813 486 A 44 TYR H A 43 THR HG2% 1.0 1.8 6.0 814 486 A 43 THR HG1 A 44 TYR H 1.0 1.8 6.0 815 487 A 44 TYR HD% A 43 THR HG2% 1.0 1.8 6.0 816 487 A 44 TYR HD% A 43 THR HG1 1.0 1.8 6.0 817 488 A 44 TYR HD% A 44 TYR HBx 1.0 1.8 3.5 818 488 A 44 TYR HD% A 44 TYR HBy 1.0 1.8 3.5 819 489 A 44 TYR H A 44 TYR HBx 1.0 1.8 3.5 820 489 A 44 TYR H A 44 TYR HBy 1.0 1.8 3.5 821 490 A 43 THR HB A 44 TYR HBy 1.0 1.8 6.0 822 490 A 43 THR HB A 44 TYR HBx 1.0 1.8 6.0 823 491 A 44 TYR HD% A 41 LEU HBy 1.0 1.8 6.0 824 491 A 41 LEU HBx A 44 TYR HD% 1.0 1.8 6.0 825 492 A 44 TYR HE% A 43 THR HG2% 1.0 1.8 6.0 826 492 A 43 THR HG1 A 44 TYR HE% 1.0 1.8 6.0 827 493 A 45 GLY H A 45 GLY HAy 1.0 1.8 3.5 828 493 A 45 GLY H A 45 GLY HAx 1.0 1.8 3.5 829 494 A 41 LEU H A 45 GLY H 1.0 1.8 6.0 830 495 A 46 ASN H A 45 GLY HAy 1.0 1.8 6.0 831 495 A 46 ASN H A 45 GLY HAx 1.0 1.8 6.0 832 496 A 44 TYR HD% A 45 GLY HAy 1.0 1.8 6.0 833 496 A 44 TYR HD% A 45 GLY HAx 1.0 1.8 6.0 834 497 A 46 ASN H A 46 ASN HA 1.0 1.8 2.9 835 498 A 46 ASN H A 46 ASN HBx 1.0 1.8 3.5 836 499 A 46 ASN H A 46 ASN HBy 1.0 1.8 3.5 837 500 A 47 GLY H A 46 ASN HA 1.0 1.8 3.5 838 501 A 46 ASN HD2x A 47 GLY HAy 1.0 1.8 6.0 839 501 A 47 GLY HAx A 46 ASN HD2x 1.0 1.8 6.0 840 502 A 47 GLY H A 47 GLY HAy 1.0 1.8 2.9 841 502 A 47 GLY H A 47 GLY HAx 1.0 1.8 2.9 842 503 A 49 TRP HZ3 A 47 GLY HAy 1.0 1.8 6.0 843 503 A 49 TRP HZ3 A 47 GLY HAx 1.0 1.8 6.0 844 504 A 47 GLY H A 39 GLN H 1.0 1.8 6.0 845 505 A 48 CYS H A 47 GLY HAy 1.0 1.8 2.9 846 505 A 48 CYS H A 47 GLY HAx 1.0 1.8 2.9 847 506 A 41 LEU HDy% A 47 GLY HAy 1.0 1.8 6.0 848 506 A 41 LEU HDx% A 47 GLY HAy 1.0 1.8 6.0 849 506 A 47 GLY HAx A 41 LEU HDx% 1.0 1.8 6.0 850 506 A 41 LEU HDy% A 47 GLY HAx 1.0 1.8 6.0 851 507 A 47 GLY HAx A 13 VAL HGx% 1.0 1.8 6.0 852 507 A 13 VAL HGx% A 47 GLY HAy 1.0 1.8 6.0 853 508 A 47 GLY H A 48 CYS H 1.0 1.8 6.0 854 509 A 48 CYS HA A 48 CYS H 1.0 1.8 2.9 855 510 A 48 CYS H A 48 CYS HBx 1.0 1.8 2.9 856 510 A 48 CYS HBy A 48 CYS H 1.0 1.8 2.9 857 511 A 49 TRP H A 48 CYS HA 1.0 1.8 3.5 858 512 A 38 CYS HA A 48 CYS HA 1.0 1.8 6.0 859 513 A 39 GLN H A 48 CYS HA 1.0 1.8 6.0 860 514 A 5 TYR HA A 48 CYS HBx 1.0 1.8 6.0 861 514 A 5 TYR HA A 48 CYS HBy 1.0 1.8 6.0 862 515 A 48 CYS HA A 49 TRP HBy 1.0 1.8 6.0 863 515 A 48 CYS HA A 49 TRP HBx 1.0 1.8 6.0 864 516 A 49 TRP HA A 49 TRP H 1.0 1.8 2.9 865 517 A 49 TRP H A 49 TRP HBy 1.0 1.8 3.5 866 517 A 49 TRP H A 49 TRP HBx 1.0 1.8 3.5 867 518 A 49 TRP HD1 A 49 TRP H 1.0 1.8 6.0 868 519 A 49 TRP HA A 37 TYR HD% 1.0 1.8 6.0 869 520 A 3 ASP H A 49 TRP HA 1.0 1.8 6.0 870 521 A 50 CYS H A 49 TRP HA 1.0 1.8 2.9 871 522 A 39 GLN H A 49 TRP HBy 1.0 1.8 6.0 872 522 A 50 CYS H A 49 TRP HBy 1.0 1.8 6.0 873 522 A 50 CYS H A 49 TRP HBx 1.0 1.8 6.0 874 522 A 39 GLN H A 49 TRP HBx 1.0 1.8 6.0 875 523 A 37 TYR H A 49 TRP H 1.0 1.8 6.0 876 524 A 38 CYS HA A 49 TRP H 1.0 1.8 6.0 877 525 A 49 TRP HD1 A 51 ILE HD1% 1.0 1.8 6.0 878 526 A 49 TRP HBy A 51 ILE HG1x 1.0 1.8 6.0 879 526 A 49 TRP HBx A 51 ILE HG1x 1.0 1.8 6.0 880 526 A 51 ILE HG1y A 49 TRP HBy 1.0 1.8 6.0 881 526 A 51 ILE HG1y A 49 TRP HBx 1.0 1.8 6.0 882 527 A 49 TRP HA A 37 TYR H 1.0 1.8 6.0 883 528 A 48 CYS HA A 49 TRP HBy 1.0 1.8 6.0 884 528 A 48 CYS HA A 49 TRP HBx 1.0 1.8 6.0 885 529 A 50 CYS H A 50 CYS HA 1.0 1.8 3.5 886 530 A 50 CYS H A 50 CYS HBx 1.0 1.8 3.5 887 530 A 50 CYS H A 50 CYS HBy 1.0 1.8 3.5 888 531 A 37 TYR H A 50 CYS HA 1.0 1.8 6.0 889 532 A 51 ILE H A 50 CYS HA 1.0 1.8 3.5 890 533 A 3 ASP HA A 50 CYS HBx 1.0 1.8 6.0 891 533 A 50 CYS HBy A 3 ASP HA 1.0 1.8 6.0 892 534 A 49 TRP HD1 A 50 CYS HA 1.0 1.8 6.0 893 535 A 51 ILE HA A 50 CYS HA 1.0 1.8 6.0 894 536 A 36 GLY HAy A 50 CYS HBx 1.0 1.8 6.0 895 536 A 36 GLY HAx A 50 CYS HBx 1.0 1.8 6.0 896 536 A 50 CYS HBy A 36 GLY HAx 1.0 1.8 6.0 897 536 A 50 CYS HBy A 36 GLY HAy 1.0 1.8 6.0 898 537 A 2 ARG HA A 50 CYS HBx 1.0 1.8 6.0 899 537 A 2 ARG HA A 50 CYS HBy 1.0 1.8 6.0 900 538 A 51 ILE HA A 51 ILE H 1.0 1.8 2.9 901 539 A 51 ILE H A 51 ILE HG1x 1.0 1.8 6.0 902 539 A 51 ILE H A 51 ILE HG1y 1.0 1.8 6.0 903 540 A 51 ILE H A 51 ILE HG2% 1.0 1.8 6.0 904 541 A 51 ILE H A 51 ILE HD1% 1.0 1.8 6.0 905 542 A 51 ILE HA A 52 ALA HA 1.0 1.8 6.0 906 543 A 51 ILE HA A 52 ALA H 1.0 1.8 3.5 907 544 A 51 ILE HB A 36 GLY HAx 1.0 1.8 6.0 908 544 A 36 GLY HAy A 51 ILE HB 1.0 1.8 6.0 909 545 A 51 ILE HB A 2 ARG HDy 1.0 1.8 6.0 910 545 A 2 ARG HDx A 51 ILE HB 1.0 1.8 6.0 911 546 A 2 ARG HGx A 51 ILE HD1% 1.0 1.8 6.0 912 546 A 51 ILE HD1% A 2 ARG HGy 1.0 1.8 6.0 913 547 A 3 ASP H A 51 ILE HD1% 1.0 1.8 6.0 914 548 A 51 ILE HD1% A 35 SER HBx 1.0 1.8 6.0 915 548 A 35 SER HBy A 51 ILE HD1% 1.0 1.8 6.0 916 549 A 36 GLY HAy A 51 ILE HD1% 1.0 1.8 6.0 917 549 A 51 ILE HD1% A 36 GLY HAx 1.0 1.8 6.0 918 550 A 37 TYR HE% A 51 ILE HD1% 1.0 1.8 6.0 919 551 A 49 TRP HE1 A 51 ILE HD1% 1.0 1.8 6.0 920 552 A 49 TRP H A 51 ILE HD1% 1.0 1.8 6.0 921 553 A 49 TRP HBx A 51 ILE HD1% 1.0 1.8 6.0 922 553 A 51 ILE HD1% A 49 TRP HBy 1.0 1.8 6.0 923 554 A 49 TRP HD1 A 51 ILE HD1% 1.0 1.8 6.0 924 555 A 37 TYR HD% A 51 ILE HG1x 1.0 1.8 6.0 925 555 A 37 TYR HD% A 51 ILE HG1y 1.0 1.8 6.0 926 556 A 37 TYR HE% A 51 ILE HG1x 1.0 1.8 6.0 927 556 A 51 ILE HG1y A 37 TYR HE% 1.0 1.8 6.0 928 557 A 49 TRP HE1 A 51 ILE HG1x 1.0 1.8 6.0 929 557 A 51 ILE HG1y A 49 TRP HE1 1.0 1.8 6.0 930 558 A 50 CYS H A 51 ILE HG1x 1.0 1.8 6.0 931 558 A 50 CYS H A 51 ILE HG1y 1.0 1.8 6.0 932 559 A 35 SER H A 51 ILE HG2% 1.0 1.8 6.0 933 560 A 49 TRP HD1 A 51 ILE HG2% 1.0 1.8 6.0 934 561 A 52 ALA H A 52 ALA HA 1.0 1.8 3.5 935 562 A 52 ALA HB% A 52 ALA H 1.0 1.8 3.5 936 563 A 52 ALA HA A 53 LEU H 1.0 1.8 3.5 937 564 A 52 ALA HB% A 33 ALA H 1.0 1.8 6.0 938 565 A 52 ALA HB% A 34 LYS HDx 1.0 1.8 6.0 939 565 A 52 ALA HB% A 34 LYS HDy 1.0 1.8 6.0 940 566 A 52 ALA HB% A 50 CYS HBx 1.0 1.8 6.0 941 566 A 52 ALA HB% A 50 CYS HBy 1.0 1.8 6.0 942 567 A 52 ALA HB% A 53 LEU H 1.0 1.8 3.5 943 568 A 1 ALA HB% A 52 ALA HB% 1.0 1.8 6.0 944 569 A 52 ALA HB% A 2 ARG HA 1.0 1.8 6.0 945 570 A 53 LEU H A 53 LEU HBy 1.0 1.8 3.5 946 570 A 53 LEU H A 53 LEU HBx 1.0 1.8 3.5 947 571 A 53 LEU H A 53 LEU HDx% 1.0 1.8 6.0 948 571 A 53 LEU H A 53 LEU HDy% 1.0 1.8 6.0 949 572 A 53 LEU H A 53 LEU HG 1.0 1.8 6.0 950 573 A 53 LEU HA A 54 PRO HA 1.0 1.8 6.0 951 574 A 2 ARG HA A 53 LEU HBy 1.0 1.8 6.0 952 574 A 2 ARG HA A 53 LEU HBx 1.0 1.8 6.0 953 575 A 52 ALA H A 53 LEU HBy 1.0 1.8 6.0 954 575 A 52 ALA H A 53 LEU HBx 1.0 1.8 6.0 955 576 A 2 ARG HA A 53 LEU HDx% 1.0 1.8 6.0 956 576 A 2 ARG HA A 53 LEU HDy% 1.0 1.8 6.0 957 577 A 53 LEU HDy% A 2 ARG HBx 1.0 1.8 6.0 958 577 A 2 ARG HBy A 53 LEU HDx% 1.0 1.8 6.0 959 577 A 2 ARG HBx A 53 LEU HDx% 1.0 1.8 6.0 960 577 A 2 ARG HBy A 53 LEU HDy% 1.0 1.8 6.0 961 578 A 53 LEU HG A 56 ASN HBy 1.0 1.8 6.0 962 578 A 53 LEU HG A 56 ASN HBx 1.0 1.8 6.0 963 579 A 52 ALA HA A 53 LEU HA 1.0 1.8 6.0 964 580 A 53 LEU HG A 55 ASP H 1.0 1.8 6.0 965 581 A 53 LEU HG A 53 LEU HA 1.0 1.8 6.0 966 582 A 53 LEU HG A 55 ASP H 1.0 1.8 6.0 967 583 A 1 ALA HA A 53 LEU HG 1.0 1.8 6.0 968 584 A 54 PRO HA A 54 PRO HBy 1.0 1.8 6.0 969 585 A 54 PRO HA A 54 PRO HBx 1.0 1.8 6.0 970 586 A 54 PRO HA A 55 ASP H 1.0 1.8 3.5 971 587 A 54 PRO HA A 56 ASN H 1.0 1.8 6.0 972 588 A 53 LEU HBy A 54 PRO HBy 1.0 1.8 6.0 973 588 A 53 LEU HBx A 54 PRO HBy 1.0 1.8 6.0 974 588 A 54 PRO HBx A 53 LEU HBy 1.0 1.8 6.0 975 588 A 53 LEU HBx A 54 PRO HBx 1.0 1.8 6.0 976 589 A 55 ASP H A 54 PRO HBy 1.0 1.8 6.0 977 589 A 55 ASP H A 54 PRO HBx 1.0 1.8 6.0 978 590 A 53 LEU HBx A 54 PRO HGy 1.0 1.8 6.0 979 590 A 53 LEU HBy A 54 PRO HGy 1.0 1.8 6.0 980 590 A 54 PRO HGx A 53 LEU HBy 1.0 1.8 6.0 981 590 A 53 LEU HBx A 54 PRO HGx 1.0 1.8 6.0 982 591 A 53 LEU HG A 54 PRO HA 1.0 1.8 6.0 983 592 A 1 ALA HA A 54 PRO HBy 1.0 1.8 6.0 984 592 A 1 ALA HA A 54 PRO HBx 1.0 1.8 6.0 985 593 A 54 PRO HBx A 56 ASN HBx 1.0 1.8 6.0 986 593 A 54 PRO HBy A 56 ASN HBx 1.0 1.8 6.0 987 593 A 56 ASN HBy A 54 PRO HBy 1.0 1.8 6.0 988 593 A 56 ASN HBy A 54 PRO HBx 1.0 1.8 6.0 989 594 A 53 LEU HBx A 54 PRO HGy 1.0 1.8 6.0 990 594 A 53 LEU HBy A 54 PRO HGy 1.0 1.8 6.0 991 594 A 54 PRO HGx A 53 LEU HBy 1.0 1.8 6.0 992 594 A 53 LEU HBx A 54 PRO HGx 1.0 1.8 6.0 993 595 A 53 LEU HA A 54 PRO HDy 1.0 1.8 6.0 994 595 A 53 LEU HA A 54 PRO HDx 1.0 1.8 6.0 995 596 A 55 ASP H A 55 ASP HBy 1.0 1.8 3.5 996 596 A 55 ASP H A 55 ASP HBx 1.0 1.8 3.5 997 597 A 55 ASP HBx A 56 ASN HD2y 1.0 1.8 6.0 998 597 A 56 ASN HD2x A 55 ASP HBy 1.0 1.8 6.0 999 597 A 55 ASP HBx A 56 ASN HD2x 1.0 1.8 6.0 1000 597 A 56 ASN HD2y A 55 ASP HBy 1.0 1.8 6.0 1001 598 A 56 ASN H A 56 ASN HA 1.0 1.8 2.9 1002 599 A 56 ASN HA A 56 ASN HBx 1.0 1.8 2.9 1003 599 A 56 ASN HBy A 56 ASN HA 1.0 1.8 2.9 1004 600 A 56 ASN H A 56 ASN HD2x 1.0 1.8 6.0 1005 601 A 56 ASN H A 56 ASN HD2y 1.0 1.8 6.0 1006 602 A 56 ASN H A 56 ASN HBx 1.0 1.8 3.5 1007 602 A 56 ASN HBy A 56 ASN H 1.0 1.8 3.5 1008 603 A 55 ASP H A 56 ASN H 1.0 1.8 6.0 1009 604 A 56 ASN HA A 57 VAL H 1.0 1.8 3.5 1010 605 A 55 ASP HBx A 56 ASN HBx 1.0 1.8 6.0 1011 605 A 55 ASP HBy A 56 ASN HBx 1.0 1.8 6.0 1012 605 A 56 ASN HBy A 55 ASP HBy 1.0 1.8 6.0 1013 605 A 56 ASN HBy A 55 ASP HBx 1.0 1.8 6.0 1014 606 A 57 VAL H A 57 VAL HA 1.0 1.8 2.9 1015 607 A 57 VAL H A 57 VAL HB 1.0 1.8 6.0 1016 608 A 57 VAL H A 57 VAL HGx% 1.0 1.8 6.0 1017 609 A 57 VAL H A 57 VAL HGy% 1.0 1.8 6.0 1018 610 A 57 VAL HB A 58 PRO HDy 1.0 1.8 6.0 1019 610 A 57 VAL HB A 58 PRO HDx 1.0 1.8 6.0 1020 611 A 56 ASN HD2x A 57 VAL HGy% 1.0 1.8 6.0 1021 611 A 56 ASN HD2y A 57 VAL HGx% 1.0 1.8 6.0 1022 611 A 56 ASN HD2y A 57 VAL HGy% 1.0 1.8 6.0 1023 611 A 56 ASN HD2x A 57 VAL HGx% 1.0 1.8 6.0 1024 612 A 57 VAL HGy% A 59 ILE H 1.0 1.8 6.0 1025 612 A 57 VAL HGx% A 59 ILE H 1.0 1.8 6.0 1026 613 A 58 PRO HBy A 58 PRO HDx 1.0 1.8 2.9 1027 613 A 58 PRO HBx A 58 PRO HDx 1.0 1.8 2.9 1028 613 A 58 PRO HDy A 58 PRO HBx 1.0 1.8 2.9 1029 613 A 58 PRO HDy A 58 PRO HBy 1.0 1.8 2.9 1030 614 A 59 ILE H A 58 PRO HBx 1.0 1.8 6.0 1031 614 A 59 ILE H A 58 PRO HBy 1.0 1.8 6.0 1032 615 A 60 ARG H A 58 PRO HDx 1.0 1.8 6.0 1033 615 A 60 ARG H A 58 PRO HDy 1.0 1.8 6.0 1034 616 A 59 ILE HA A 58 PRO HDx 1.0 1.8 6.0 1035 616 A 58 PRO HDy A 59 ILE HA 1.0 1.8 6.0 1036 617 A 59 ILE HG2% A 58 PRO HBx 1.0 1.8 6.0 1037 617 A 58 PRO HBy A 59 ILE HG2% 1.0 1.8 6.0 1038 618 A 57 VAL H A 58 PRO HA 1.0 1.8 6.0 1039 619 A 56 ASN HA A 58 PRO HBx 1.0 1.8 6.0 1040 619 A 56 ASN HA A 58 PRO HBy 1.0 1.8 6.0 1041 620 A 60 ARG HA A 58 PRO HGx 1.0 1.8 6.0 1042 620 A 58 PRO HGy A 60 ARG HA 1.0 1.8 6.0 1043 621 A 59 ILE H A 59 ILE HA 1.0 1.8 2.9 1044 622 A 59 ILE H A 59 ILE HB 1.0 1.8 6.0 1045 623 A 59 ILE H A 59 ILE HD1% 1.0 1.8 6.0 1046 624 A 59 ILE H A 59 ILE HG1x 1.0 1.8 6.0 1047 624 A 59 ILE H A 59 ILE HG1y 1.0 1.8 6.0 1048 625 A 59 ILE HA A 59 ILE HG2% 1.0 1.8 3.5 1049 626 A 59 ILE H A 59 ILE HG2% 1.0 1.8 6.0 1050 627 A 59 ILE H A 60 ARG HBx 1.0 1.8 6.0 1051 627 A 59 ILE H A 60 ARG HBy 1.0 1.8 6.0 1052 628 A 59 ILE HA A 61 ILE H 1.0 1.8 6.0 1053 629 A 60 ARG H A 59 ILE HB 1.0 1.8 6.0 1054 630 A 59 ILE HD1% A 58 PRO HGx 1.0 1.8 6.0 1055 630 A 58 PRO HGy A 59 ILE HD1% 1.0 1.8 6.0 1056 631 A 59 ILE HD1% A 58 PRO HDx 1.0 1.8 6.0 1057 631 A 58 PRO HDy A 59 ILE HD1% 1.0 1.8 6.0 1058 632 A 58 PRO HBx A 59 ILE HG1x 1.0 1.8 6.0 1059 632 A 58 PRO HBy A 59 ILE HG1x 1.0 1.8 6.0 1060 632 A 59 ILE HG1y A 58 PRO HBx 1.0 1.8 6.0 1061 632 A 58 PRO HBy A 59 ILE HG1y 1.0 1.8 6.0 1062 633 A 5 TYR HD% A 59 ILE HG1x 1.0 1.8 6.0 1063 633 A 5 TYR HD% A 59 ILE HG1y 1.0 1.8 6.0 1064 634 A 60 ARG H A 59 ILE HG1x 1.0 1.8 6.0 1065 634 A 60 ARG H A 59 ILE HG1y 1.0 1.8 6.0 1066 635 A 61 ILE HG1x A 59 ILE HG1y 1.0 1.8 6.0 1067 635 A 59 ILE HG1x A 61 ILE HG1y 1.0 1.8 6.0 1068 635 A 59 ILE HG1y A 61 ILE HG1y 1.0 1.8 6.0 1069 635 A 61 ILE HG1x A 59 ILE HG1x 1.0 1.8 6.0 1070 636 A 61 ILE H A 59 ILE HG1x 1.0 1.8 6.0 1071 636 A 59 ILE HG1y A 61 ILE H 1.0 1.8 6.0 1072 637 A 5 TYR H A 59 ILE HG1x 1.0 1.8 6.0 1073 637 A 5 TYR H A 59 ILE HG1y 1.0 1.8 6.0 1074 638 A 59 ILE HG2% A 58 PRO HDx 1.0 1.8 6.0 1075 638 A 58 PRO HDy A 59 ILE HG2% 1.0 1.8 6.0 1076 639 A 59 ILE HG2% A 58 PRO HA 1.0 1.8 6.0 1077 640 A 59 ILE HG2% A 58 PRO HGx 1.0 1.8 6.0 1078 640 A 59 ILE HG2% A 58 PRO HGy 1.0 1.8 6.0 1079 641 A 60 ARG H A 59 ILE HB 1.0 1.8 6.0 1080 642 A 58 PRO HA A 59 ILE HG1x 1.0 1.8 6.0 1081 642 A 58 PRO HA A 59 ILE HG1y 1.0 1.8 6.0 1082 643 A 61 ILE HG1x A 59 ILE HA 1.0 1.8 6.0 1083 643 A 59 ILE HA A 61 ILE HG1y 1.0 1.8 6.0 1084 644 A 60 ARG H A 60 ARG HA 1.0 1.8 2.9 1085 645 A 60 ARG H A 60 ARG HDx 1.0 1.8 6.0 1086 645 A 60 ARG H A 60 ARG HDy 1.0 1.8 6.0 1087 646 A 60 ARG H A 60 ARG HGx 1.0 1.8 6.0 1088 646 A 60 ARG H A 60 ARG HGy 1.0 1.8 6.0 1089 647 A 60 ARG H A 61 ILE HG21 1.0 1.8 6.0 1090 648 A 60 ARG HA A 61 ILE H 1.0 1.8 3.5 1091 649 A 59 ILE H A 60 ARG HBx 1.0 1.8 6.0 1092 649 A 59 ILE H A 60 ARG HBy 1.0 1.8 6.0 1093 650 A 61 ILE HG1x A 60 ARG HGx 1.0 1.8 6.0 1094 650 A 60 ARG HGy A 61 ILE HG1y 1.0 1.8 6.0 1095 650 A 61 ILE HG1x A 60 ARG HGy 1.0 1.8 6.0 1096 650 A 60 ARG HGx A 61 ILE HG1y 1.0 1.8 6.0 1097 651 A 59 ILE H A 60 ARG HDx 1.0 1.8 6.0 1098 651 A 59 ILE H A 60 ARG HDy 1.0 1.8 6.0 1099 652 A 61 ILE H A 61 ILE HB 1.0 1.8 6.0 1100 653 A 61 ILE HB A 61 ILE HD11 1.0 1.8 3.5 1101 654 A 61 ILE H A 61 ILE HD11 1.0 1.8 6.0 1102 655 A 61 ILE H A 61 ILE HG21 1.0 1.8 6.0 1103 656 A 61 ILE HG21 A 61 ILE HG1y 1.0 1.8 2.9 1104 656 A 61 ILE HG1x A 61 ILE HG21 1.0 1.8 2.9 1105 657 A 61 ILE HG1x A 61 ILE H 1.0 1.8 6.0 1106 657 A 61 ILE H A 61 ILE HG1y 1.0 1.8 6.0 1107 658 A 61 ILE HA A 61 ILE HG21 1.0 1.8 3.5 1108 659 A 61 ILE HG1x A 61 ILE HA 1.0 1.8 6.0 1109 659 A 61 ILE HA A 61 ILE HG1y 1.0 1.8 6.0 1110 660 A 61 ILE HA A 62 PRO HGx 1.0 1.8 6.0 1111 660 A 61 ILE HA A 62 PRO HGy 1.0 1.8 6.0 1112 661 A 61 ILE HB A 62 PRO HA 1.0 1.8 6.0 1113 662 A 61 ILE HB A 62 PRO HBx 1.0 1.8 6.0 1114 662 A 61 ILE HB A 62 PRO HBy 1.0 1.8 6.0 1115 663 A 61 ILE HB A 60 ARG HDx 1.0 1.8 6.0 1116 663 A 60 ARG HDy A 61 ILE HB 1.0 1.8 6.0 1117 664 A 59 ILE H A 61 ILE HD11 1.0 1.8 6.0 1118 665 A 60 ARG H A 61 ILE HD11 1.0 1.8 6.0 1119 666 A 61 ILE HG1x A 60 ARG HDx 1.0 1.8 6.0 1120 666 A 60 ARG HDx A 61 ILE HG1y 1.0 1.8 6.0 1121 666 A 61 ILE HG1x A 60 ARG HDy 1.0 1.8 6.0 1122 666 A 60 ARG HDy A 61 ILE HG1y 1.0 1.8 6.0 1123 667 A 61 ILE HG1x A 65 CYS H 1.0 1.8 6.0 1124 667 A 65 CYS H A 61 ILE HG1y 1.0 1.8 6.0 1125 668 A 59 ILE H A 61 ILE H 1.0 1.8 6.0 1126 669 A 61 ILE HG1y A 63 GLY HAx 1.0 1.8 6.0 1127 669 A 61 ILE HG1x A 63 GLY HAx 1.0 1.8 6.0 1128 669 A 61 ILE HG1x A 63 GLY HAy 1.0 1.8 6.0 1129 669 A 63 GLY HAy A 61 ILE HG1y 1.0 1.8 6.0 1130 670 A 62 PRO HA A 62 PRO HBx 1.0 1.8 2.9 1131 670 A 62 PRO HA A 62 PRO HBy 1.0 1.8 2.9 1132 671 A 62 PRO HA A 62 PRO HGx 1.0 1.8 6.0 1133 671 A 62 PRO HGy A 62 PRO HA 1.0 1.8 6.0 1134 672 A 62 PRO HBx A 62 PRO HGx 1.0 1.8 6.0 1135 672 A 62 PRO HBy A 62 PRO HGx 1.0 1.8 6.0 1136 672 A 62 PRO HGy A 62 PRO HBx 1.0 1.8 6.0 1137 672 A 62 PRO HGy A 62 PRO HBy 1.0 1.8 6.0 1138 673 A 62 PRO HGx A 64 LYS HEx 1.0 1.8 6.0 1139 673 A 62 PRO HGy A 64 LYS HEx 1.0 1.8 6.0 1140 673 A 64 LYS HEy A 62 PRO HGx 1.0 1.8 6.0 1141 673 A 62 PRO HGy A 64 LYS HEy 1.0 1.8 6.0 1142 674 A 62 PRO HGx A 63 GLY HAx 1.0 1.8 6.0 1143 674 A 62 PRO HGy A 63 GLY HAx 1.0 1.8 6.0 1144 674 A 63 GLY HAy A 62 PRO HGx 1.0 1.8 6.0 1145 674 A 62 PRO HGy A 63 GLY HAy 1.0 1.8 6.0 1146 675 A 62 PRO HGy A 64 LYS HGx 1.0 1.8 5.0 1147 675 A 62 PRO HGx A 64 LYS HGx 1.0 1.8 5.0 1148 675 A 64 LYS HGy A 62 PRO HGx 1.0 1.8 5.0 1149 675 A 62 PRO HGy A 64 LYS HGy 1.0 1.8 5.0 1150 676 A 63 GLY H A 63 GLY HAx 1.0 1.8 2.9 1151 677 A 63 GLY HAy A 63 GLY H 1.0 1.8 2.9 1152 678 A 64 LYS H A 63 GLY HAx 1.0 1.8 3.5 1153 678 A 63 GLY HAy A 64 LYS H 1.0 1.8 3.5 1154 679 A 65 CYS H A 63 GLY HAx 1.0 1.8 6.0 1155 679 A 65 CYS H A 63 GLY HAy 1.0 1.8 6.0 1156 680 A 64 LYS H A 64 LYS HA 1.0 1.8 2.9 1157 681 A 64 LYS H A 64 LYS HBy 1.0 1.8 3.5 1158 681 A 64 LYS H A 64 LYS HBx 1.0 1.8 3.5 1159 682 A 64 LYS H A 64 LYS HDx 1.0 1.8 6.0 1160 682 A 64 LYS H A 64 LYS HDy 1.0 1.8 6.0 1161 683 A 64 LYS HEx A 64 LYS HGx 1.0 1.8 3.5 1162 683 A 64 LYS HGy A 64 LYS HEx 1.0 1.8 3.5 1163 683 A 64 LYS HEy A 64 LYS HGy 1.0 1.8 3.5 1164 683 A 64 LYS HEy A 64 LYS HGx 1.0 1.8 3.5 1165 684 A 64 LYS H A 64 LYS HGx 1.0 1.8 6.0 1166 684 A 64 LYS HGy A 64 LYS H 1.0 1.8 6.0 1167 685 A 64 LYS H A 64 LYS HEx 1.0 1.8 6.0 1168 685 A 64 LYS HEy A 64 LYS H 1.0 1.8 6.0 1169 686 A 65 CYS H A 64 LYS H 1.0 1.8 6.0 1170 687 A 65 CYS H A 64 LYS HA 1.0 1.8 3.5 1171 688 A 65 CYS H A 64 LYS HBy 1.0 1.8 6.0 1172 688 A 65 CYS H A 64 LYS HBx 1.0 1.8 6.0 1173 689 A 65 CYS H A 64 LYS HDx 1.0 1.8 6.0 1174 689 A 65 CYS H A 64 LYS HDy 1.0 1.8 6.0 1175 690 A 65 CYS H A 64 LYS HGx 1.0 1.8 6.0 1176 690 A 65 CYS H A 64 LYS HGy 1.0 1.8 6.0 1177 691 A 61 ILE HA A 64 LYS HBy 1.0 1.8 6.0 1178 691 A 61 ILE HA A 64 LYS HBx 1.0 1.8 6.0 1179 692 A 65 CYS HA A 64 LYS HBy 1.0 1.8 6.0 1180 692 A 64 LYS HBx A 65 CYS HA 1.0 1.8 6.0 1181 693 A 65 CYS H A 65 CYS HBx 1.0 1.8 6.0 1182 694 A 65 CYS H A 65 CYS HBy 1.0 1.8 6.0 1183 695 A 65 CYS HA A 11 ASN HBy 1.0 1.8 6.0 1184 695 A 11 ASN HBx A 65 CYS HA 1.0 1.8 6.0 1185 696 A 11 ASN HA A 65 CYS HBx 1.0 1.8 6.0 1186 696 A 65 CYS HBy A 11 ASN HA 1.0 1.8 6.0 1187 697 A 64 LYS HEx A 65 CYS HBx 1.0 1.8 6.0 1188 697 A 64 LYS HEy A 65 CYS HBx 1.0 1.8 6.0 1189 697 A 65 CYS HBy A 64 LYS HEx 1.0 1.8 6.0 1190 697 A 64 LYS HEy A 65 CYS HBy 1.0 1.8 6.0 1191 698 A 64 LYS H A 65 CYS HBx 1.0 1.8 6.0 1192 698 A 64 LYS H A 65 CYS HBy 1.0 1.8 6.0 1193 699 A 66 HIS HA A 65 CYS HBx 1.0 1.8 6.0 1194 699 A 65 CYS HBy A 66 HIS HA 1.0 1.8 6.0 1195 700 A 66 HIS HD1 A 65 CYS HBx 1.0 1.8 6.0 1196 700 A 65 CYS HBy A 66 HIS HD1 1.0 1.8 6.0 1197 701 A 65 CYS H A 64 LYS H 1.0 1.8 6.0 1198 702 A 66 HIS HA A 66 HIS HE1 1.0 1.8 6.0 1199 703 A 66 HIS H A 66 HIS HBx 1.0 1.8 6.0 1200 704 A 66 HIS H A 66 HIS HBy 1.0 1.8 6.0 1201 705 A 66 HIS HD1 A 66 HIS HBx 1.0 1.8 3.5 1202 705 A 66 HIS HD1 A 66 HIS HBy 1.0 1.8 3.5 1203 706 A 65 CYS H A 66 HIS HA 1.0 1.8 6.0 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 48 CYS H A 5 TYR O 1.0 1.2 2.2 2 2 A 5 TYR O A 48 CYS N 1.0 2.2 3.2 3 3 A 50 CYS H A 3 ASP O 1.0 1.2 2.2 4 4 A 3 ASP O A 50 CYS N 1.0 2.2 3.2 5 5 A 3 ASP H A 50 CYS O 1.0 1.2 2.2 6 6 A 50 CYS O A 3 ASP N 1.0 2.2 3.2 7 7 A 35 SER H A 51 ILE O 1.0 1.2 2.5 8 8 A 51 ILE O A 35 SER N 1.0 2.2 3.5 9 9 A 51 ILE H A 35 SER O 1.0 1.2 2.5 10 10 A 35 SER O A 51 ILE N 1.0 2.2 3.2 11 11 A 37 TYR H A 49 TRP O 1.0 1.2 2.2 12 12 A 49 TRP O A 37 TYR N 1.0 2.2 3.2 13 13 A 49 TRP H A 37 TYR O 1.0 1.2 2.2 14 14 A 37 TYR O A 49 TRP N 1.0 2.2 3.2 15 15 A 39 GLN H A 47 GLY O 1.0 1.2 2.2 16 16 A 47 GLY O A 39 GLN N 1.0 2.2 3.2 17 17 A 47 GLY H A 39 GLN O 1.0 1.2 2.2 18 18 A 39 GLN O A 47 GLY N 1.0 2.2 3.2 19 19 A 29 THR H A 25 ASN O 1.0 1.2 2.2 20 20 A 25 ASN O A 29 THR N 1.0 2.2 3.2 21 21 A 28 CYS H A 24 CYS O 1.0 1.2 2.2 22 22 A 24 CYS O A 28 CYS N 1.0 2.2 3.2 23 23 A 27 VAL H A 23 TYR O 1.0 1.2 2.2 24 24 A 23 TYR O A 27 VAL N 1.0 2.2 3.2 25 25 A 26 GLY H A 22 SER O 1.0 1.2 2.2 26 26 A 22 SER O A 26 GLY N 1.0 2.2 3.2 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 ALA C A 2 ARG N A 2 ARG CA A 2 ARG C 1.0 -140.0 -100.0 PHI 2 2 A 2 ARG C A 3 ASP N A 3 ASP CA A 3 ASP C 1.0 -116.0 -76.0 PHI 3 3 A 3 ASP C A 4 ALA N A 4 ALA CA A 4 ALA C 1.0 -136.0 -96.0 PHI 4 4 A 4 ALA C A 5 TYR N A 5 TYR CA A 5 TYR C 1.0 -140.0 -100.0 PHI 5 5 A 6 ILE C A 7 ALA N A 7 ALA CA A 7 ALA C 1.0 -140.0 -100.0 PHI 6 6 A 7 ALA C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -140.0 -100.0 PHI 7 7 A 10 HIS C A 11 ASN N A 11 ASN CA A 11 ASN C 1.0 -140.0 -100.0 PHI 8 8 A 11 ASN C A 12 CYS N A 12 CYS CA A 12 CYS C 1.0 -140.0 -100.0 PHI 9 9 A 22 SER C A 23 TYR N A 23 TYR CA A 23 TYR C 1.0 -70.0 -50.0 PHI 10 10 A 23 TYR C A 24 CYS N A 24 CYS CA A 24 CYS C 1.0 -70.0 -50.0 PHI 11 11 A 24 CYS C A 25 ASN N A 25 ASN CA A 25 ASN C 1.0 -70.0 -50.0 PHI 12 12 A 25 ASN C A 26 GLY N A 26 GLY CA A 26 GLY C 1.0 -70.0 -50.0 PHI 13 13 A 26 GLY C A 27 VAL N A 27 VAL CA A 27 VAL C 1.0 -70.0 -50.0 PHI 14 14 A 27 VAL C A 28 CYS N A 28 CYS CA A 28 CYS C 1.0 -70.0 -50.0 PHI 15 15 A 28 CYS C A 29 THR N A 29 THR CA A 29 THR C 1.0 -70.0 -50.0 PHI 16 16 A 29 THR C A 30 LYS N A 30 LYS CA A 30 LYS C 1.0 -70.0 -50.0 PHI 17 17 A 30 LYS C A 31 ASN N A 31 ASN CA A 31 ASN C 1.0 -70.0 -50.0 PHI 18 18 A 34 LYS C A 35 SER N A 35 SER CA A 35 SER C 1.0 -143.0 -103.0 PHI 19 19 A 35 SER C A 36 GLY N A 36 GLY CA A 36 GLY C 1.0 -143.0 -103.0 PHI 20 20 A 36 GLY C A 37 TYR N A 37 TYR CA A 37 TYR C 1.0 -140.0 -100.0 PHI 21 21 A 37 TYR C A 38 CYS N A 38 CYS CA A 38 CYS C 1.0 -140.0 -100.0 PHI 22 22 A 38 CYS C A 39 GLN N A 39 GLN CA A 39 GLN C 1.0 -140.0 -100.0 PHI 23 23 A 39 GLN C A 40 ILE N A 40 ILE CA A 40 ILE C 1.0 -134.0 -94.0 PHI 24 24 A 45 GLY C A 46 ASN N A 46 ASN CA A 46 ASN C 1.0 -140.0 -100.0 PHI 25 25 A 46 ASN C A 47 GLY N A 47 GLY CA A 47 GLY C 1.0 -140.0 -100.0 PHI 26 26 A 47 GLY C A 48 CYS N A 48 CYS CA A 48 CYS C 1.0 -140.0 -100.0 PHI 27 27 A 48 CYS C A 49 TRP N A 49 TRP CA A 49 TRP C 1.0 -140.0 -100.0 PHI 28 28 A 49 TRP C A 50 CYS N A 50 CYS CA A 50 CYS C 1.0 -140.0 -100.0 PHI 29 29 A 50 CYS C A 51 ILE N A 51 ILE CA A 51 ILE C 1.0 -140.0 -100.0 PHI stop_ save_