data_nef_c18146_2ln4 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 3 CYS SG 1 34 CYS SG 1 20 CYS SG 1 39 CYS SG 1 24 CYS SG 1 41 CYS SG 1 43 ASN C 1 44 NH2 N 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 VAL start . . 2 A 2 THR middle . . 3 A 3 CYS middle -HG . 4 A 4 ASP middle . . 5 A 5 VAL middle . . 6 A 6 LEU middle . . 7 A 7 SER middle . . 8 A 8 PHE middle . . 9 A 9 GLU middle . . 10 A 10 ALA middle . . 11 A 11 LYS middle . . 12 A 12 GLY middle . false 13 A 13 ILE middle . . 14 A 14 ALA middle . . 15 A 15 VAL middle . . 16 A 16 ASN middle . . 17 A 17 HIS middle . . 18 A 18 SER middle . . 19 A 19 ALA middle . . 20 A 20 CYS middle -HG . 21 A 21 ALA middle . . 22 A 22 LEU middle . . 23 A 23 HIS middle . . 24 A 24 CYS middle -HG . 25 A 25 ILE middle . . 26 A 26 ALA middle . . 27 A 27 LEU middle . . 28 A 28 ARG middle . . 29 A 29 LYS middle . . 30 A 30 LYS middle . . 31 A 31 GLY middle . false 32 A 32 GLY middle . false 33 A 33 SER middle . . 34 A 34 CYS middle -HG . 35 A 35 GLN middle . . 36 A 36 ASN middle . . 37 A 37 GLY middle . false 38 A 38 VAL middle . . 39 A 39 CYS middle -HG . 40 A 40 VAL middle . . 41 A 41 CYS middle -HG . 42 A 42 ARG middle . . 43 A 43 ASN middle . . 44 A 44 NH2 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 VAL HA H 1 3.895 0.002 A 1 VAL HB H 1 2.097 0.007 A 1 VAL HGx% H 1 0.872 0.008 A 2 THR HA H 1 4.435 0.001 A 2 THR HB H 1 4.249 0.006 A 2 THR HG2% H 1 1.256 0.003 A 3 CYS H H 1 8.413 0.011 A 3 CYS HA H 1 4.564 0.006 A 3 CYS HBy H 1 3.039 0.006 A 3 CYS HBx H 1 2.937 0.001 A 4 ASP H H 1 8.447 0.010 A 4 ASP HA H 1 4.567 0.002 A 4 ASP HBx H 1 2.657 0.004 A 4 ASP HBy H 1 2.657 0.004 A 5 VAL H H 1 8.068 0.010 A 5 VAL HA H 1 3.986 0.005 A 5 VAL HB H 1 2.048 0.008 A 5 VAL HGx% H 1 0.918 0.003 A 5 VAL HGy% H 1 0.841 0.005 A 6 LEU H H 1 8.067 0.013 A 6 LEU HA H 1 4.296 0.006 A 6 LEU HBx H 1 1.682 0.005 A 6 LEU HBy H 1 1.682 0.005 A 6 LEU HDx% H 1 0.860 0.006 A 6 LEU HDy% H 1 0.798 0.005 A 6 LEU HG H 1 1.609 0.005 A 7 SER H H 1 8.115 0.010 A 7 SER HA H 1 4.352 0.003 A 7 SER HBx H 1 3.843 0.007 A 7 SER HBy H 1 3.843 0.007 A 8 PHE H H 1 8.116 0.014 A 8 PHE HA H 1 4.555 0.006 A 8 PHE HBx H 1 3.129 0.008 A 8 PHE HBy H 1 3.129 0.008 A 8 PHE HDx H 1 7.248 0.005 A 8 PHE HDy H 1 7.248 0.005 A 8 PHE HEx H 1 7.347 0.010 A 8 PHE HEy H 1 7.347 0.010 A 8 PHE HZ H 1 7.248 0.005 A 9 GLU H H 1 8.232 0.006 A 9 GLU HA H 1 4.217 0.001 A 9 GLU HBy H 1 2.049 0.002 A 9 GLU HBx H 1 1.952 0.002 A 9 GLU HGx H 1 2.280 0.005 A 9 GLU HGy H 1 2.280 0.005 A 10 ALA H H 1 8.068 0.011 A 10 ALA HA H 1 4.285 0.005 A 10 ALA HB% H 1 1.417 0.007 A 11 LYS H H 1 8.175 0.014 A 11 LYS HA H 1 4.277 0.004 A 11 LYS HBx H 1 1.864 0.004 A 11 LYS HBy H 1 1.864 0.004 A 11 LYS HGx H 1 1.413 0.007 A 11 LYS HGy H 1 1.413 0.007 A 12 GLY H H 1 8.364 0.015 A 12 GLY HAy H 1 4.013 0.009 A 12 GLY HAx H 1 3.869 0.005 A 13 ILE H H 1 7.857 0.010 A 13 ILE HA H 1 4.155 0.003 A 13 ILE HB H 1 1.872 0.006 A 13 ILE HD1% H 1 0.905 0.004 A 13 ILE HG1x H 1 1.423 0.004 A 13 ILE HG1y H 1 1.423 0.004 A 13 ILE HG2% H 1 1.159 0.007 A 14 ALA H H 1 8.305 0.010 A 14 ALA HA H 1 4.356 0.005 A 14 ALA HB% H 1 1.371 0.002 A 15 VAL H H 1 8.066 0.009 A 15 VAL HA H 1 3.992 0.004 A 15 VAL HB H 1 2.013 0.005 A 15 VAL HGx% H 1 0.918 0.004 A 15 VAL HGy% H 1 0.850 0.003 A 16 ASN H H 1 8.327 0.015 A 16 ASN HA H 1 4.617 0.016 A 16 ASN HBx H 1 2.779 0.005 A 16 ASN HBy H 1 2.779 0.005 A 16 ASN HD2x H 1 6.888 0.003 A 16 ASN HD2y H 1 7.613 0.010 A 17 HIS H H 1 8.355 0.002 A 17 HIS HA H 1 4.758 0.004 A 17 HIS HBy H 1 3.352 0.007 A 17 HIS HBx H 1 3.113 0.005 A 17 HIS HD2 H 1 7.250 0.002 A 17 HIS HE1 H 1 8.503 0.001 A 18 SER H H 1 8.176 0.012 A 18 SER HA H 1 4.475 0.004 A 18 SER HBy H 1 4.133 0.001 A 18 SER HBx H 1 4.030 0.004 A 19 ALA H H 1 8.593 0.007 A 19 ALA HA H 1 4.107 0.008 A 19 ALA HB% H 1 1.466 0.012 A 20 CYS H H 1 8.662 0.004 A 20 CYS HA H 1 4.541 0.011 A 20 CYS HBy H 1 3.165 0.005 A 20 CYS HBx H 1 2.569 0.006 A 21 ALA H H 1 8.149 0.010 A 21 ALA HA H 1 3.691 0.006 A 21 ALA HB% H 1 1.572 0.001 A 22 LEU H H 1 8.182 0.010 A 22 LEU HA H 1 3.978 0.004 A 22 LEU HBx H 1 1.799 0.009 A 22 LEU HBy H 1 1.799 0.009 A 22 LEU HDx% H 1 0.856 0.007 A 22 LEU HG H 1 1.523 0.004 A 23 HIS H H 1 8.110 0.009 A 23 HIS HA H 1 4.396 0.006 A 23 HIS HBy H 1 3.682 0.007 A 23 HIS HBx H 1 3.286 0.008 A 23 HIS HD2 H 1 7.066 0.001 A 23 HIS HE1 H 1 8.631 0.001 A 24 CYS H H 1 8.293 0.006 A 24 CYS HA H 1 4.074 0.003 A 24 CYS HBx H 1 2.605 0.004 A 24 CYS HBy H 1 2.605 0.004 A 25 ILE H H 1 8.599 0.005 A 25 ILE HA H 1 4.097 0.007 A 25 ILE HB H 1 1.807 0.002 A 25 ILE HD1% H 1 0.785 0.003 A 25 ILE HG1y H 1 1.538 0.005 A 25 ILE HG1x H 1 1.073 0.005 A 25 ILE HG2% H 1 0.929 0.003 A 26 ALA H H 1 7.923 0.004 A 26 ALA HA H 1 4.218 0.003 A 26 ALA HB% H 1 1.537 0.002 A 27 LEU H H 1 7.139 0.003 A 27 LEU HA H 1 4.297 0.009 A 27 LEU HBx H 1 1.728 0.007 A 27 LEU HBy H 1 1.728 0.007 A 27 LEU HDx% H 1 0.752 0.005 A 27 LEU HDy% H 1 0.661 0.006 A 27 LEU HG H 1 1.504 0.010 A 28 ARG H H 1 8.177 0.009 A 28 ARG HA H 1 3.978 0.003 A 28 ARG HBy H 1 2.218 0.004 A 28 ARG HBx H 1 2.076 0.005 A 28 ARG HDx H 1 3.225 0.005 A 28 ARG HDy H 1 3.225 0.005 A 28 ARG HE H 1 7.176 0.005 A 28 ARG HGx H 1 1.574 0.006 A 28 ARG HGy H 1 1.574 0.006 A 29 LYS H H 1 7.892 0.005 A 29 LYS HA H 1 4.808 0.004 A 29 LYS HBx H 1 2.164 0.002 A 29 LYS HBy H 1 2.164 0.002 A 29 LYS HDx H 1 1.622 0.007 A 29 LYS HDy H 1 1.622 0.007 A 29 LYS HEx H 1 2.883 0.004 A 29 LYS HEy H 1 2.883 0.004 A 29 LYS HGy H 1 1.541 0.005 A 29 LYS HGx H 1 1.317 0.004 A 30 LYS H H 1 8.277 0.005 A 30 LYS HA H 1 4.225 0.003 A 30 LYS HBx H 1 1.803 0.006 A 30 LYS HBy H 1 1.803 0.006 A 30 LYS HDx H 1 1.619 0.005 A 30 LYS HDy H 1 1.619 0.005 A 30 LYS HEx H 1 2.976 0.005 A 30 LYS HEy H 1 2.976 0.005 A 30 LYS HGy H 1 1.520 0.005 A 30 LYS HGx H 1 1.392 0.011 A 30 LYS HZ1 H 1 7.543 0.020 A 30 LYS HZ2 H 1 7.543 0.020 A 30 LYS HZ3 H 1 7.543 0.020 A 31 GLY H H 1 7.545 0.007 A 31 GLY HAy H 1 4.221 0.002 A 31 GLY HAx H 1 3.767 0.002 A 32 GLY H H 1 8.282 0.020 A 32 GLY HAy H 1 4.545 0.019 A 32 GLY HAx H 1 4.348 0.009 A 33 SER H H 1 8.368 0.009 A 33 SER HA H 1 4.595 0.004 A 33 SER HBy H 1 3.854 0.011 A 33 SER HBx H 1 3.777 0.007 A 34 CYS H H 1 9.205 0.002 A 34 CYS HA H 1 5.137 0.004 A 34 CYS HBx H 1 2.945 0.006 A 34 CYS HBy H 1 2.945 0.006 A 35 GLN H H 1 9.368 0.006 A 35 GLN HA H 1 4.610 0.007 A 35 GLN HBy H 1 2.027 0.008 A 35 GLN HBx H 1 1.907 0.005 A 35 GLN HE2x H 1 6.805 0.001 A 35 GLN HE2y H 1 7.298 0.035 A 35 GLN HGx H 1 2.278 0.006 A 35 GLN HGy H 1 2.278 0.006 A 36 ASN H H 1 9.558 0.012 A 36 ASN HA H 1 4.364 0.003 A 36 ASN HBy H 1 3.069 0.007 A 36 ASN HBx H 1 2.745 0.007 A 36 ASN HD2x H 1 6.923 0.025 A 36 ASN HD2y H 1 7.613 0.001 A 37 GLY H H 1 8.517 0.015 A 37 GLY HAy H 1 4.205 0.001 A 37 GLY HAx H 1 3.616 0.004 A 38 VAL H H 1 7.686 0.010 A 38 VAL HA H 1 4.273 0.006 A 38 VAL HB H 1 2.045 0.004 A 38 VAL HGx% H 1 0.891 0.002 A 39 CYS H H 1 8.665 0.003 A 39 CYS HA H 1 4.797 0.004 A 39 CYS HBy H 1 2.792 0.006 A 39 CYS HBx H 1 2.589 0.013 A 40 VAL H H 1 8.947 0.004 A 40 VAL HA H 1 4.276 0.002 A 40 VAL HB H 1 2.084 0.007 A 40 VAL HGx% H 1 0.979 0.002 A 40 VAL HGy% H 1 0.939 0.005 A 41 CYS H H 1 8.999 0.013 A 41 CYS HA H 1 5.456 0.007 A 41 CYS HBy H 1 3.027 0.005 A 41 CYS HBx H 1 2.760 0.003 A 42 ARG H H 1 8.489 0.007 A 42 ARG HA H 1 4.530 0.006 A 42 ARG HBx H 1 1.778 0.005 A 42 ARG HBy H 1 1.778 0.005 A 42 ARG HDx H 1 3.122 0.007 A 42 ARG HDy H 1 3.122 0.007 A 42 ARG HE H 1 7.242 0.004 A 42 ARG HGy H 1 1.578 0.002 A 42 ARG HGx H 1 1.506 0.006 A 43 ASN H H 1 8.279 0.010 A 43 ASN HBy H 1 2.814 0.009 A 43 ASN HBx H 1 2.596 0.012 A 43 ASN HD2x H 1 6.894 0.030 A 43 ASN HD2y H 1 7.521 0.032 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 42 ARG H A 42 ARG HGy 1.0 . 3.86 2 2 A 41 CYS H A 41 CYS HBy 1.0 . 3.90 3 3 A 39 CYS H A 39 CYS HBy 1.0 . 3.70 4 4 A 35 GLN H A 35 GLN HBx 1.0 . 4.11 5 5 A 16 ASN HA A 17 HIS H 1.0 . 3.56 6 6 A 42 ARG HA A 43 ASN H 1.0 . 3.34 7 7 A 43 ASN H A 42 ARG HBx 1.0 . 4.26 8 7 A 43 ASN H A 42 ARG HBy 1.0 . 4.26 9 8 A 30 LYS H A 29 LYS HDx 1.0 . 4.21 10 8 A 29 LYS HDy A 30 LYS H 1.0 . 4.21 11 9 A 22 LEU HG A 22 LEU HBx 1.0 . 2.93 12 9 A 22 LEU HBy A 22 LEU HG 1.0 . 2.93 13 10 A 30 LYS H A 30 LYS HGy 1.0 . 4.11 14 11 A 29 LYS H A 29 LYS HBx 1.0 . 4.07 15 11 A 29 LYS H A 29 LYS HBy 1.0 . 4.07 16 12 A 29 LYS H A 29 LYS HDx 1.0 . 4.87 17 12 A 29 LYS HDy A 29 LYS H 1.0 . 4.87 18 13 A 21 ALA HB% A 22 LEU H 1.0 . 3.04 19 14 A 27 LEU H A 27 LEU HBx 1.0 . 3.32 20 14 A 27 LEU H A 27 LEU HBy 1.0 . 3.32 21 15 A 25 ILE H A 25 ILE HB 1.0 . 3.04 22 16 A 25 ILE H A 25 ILE HG1x 1.0 . 3.77 23 17 A 23 HIS H A 23 HIS HBx 1.0 . 3.15 24 18 A 23 HIS H A 23 HIS HBy 1.0 . 3.26 25 19 A 22 LEU H A 22 LEU HBx 1.0 . 2.89 26 19 A 22 LEU HBy A 22 LEU H 1.0 . 2.89 27 20 A 22 LEU HG A 22 LEU H 1.0 . 3.34 28 21 A 20 CYS H A 20 CYS HBy 1.0 . 3.58 29 22 A 15 VAL H A 15 VAL HB 1.0 . 3.65 30 23 A 13 ILE H A 13 ILE HG2% 1.0 . 3.94 31 24 A 11 LYS H A 11 LYS HBx 1.0 . 3.83 32 24 A 11 LYS H A 11 LYS HBy 1.0 . 3.83 33 25 A 8 PHE H A 8 PHE HBx 1.0 . 3.49 34 25 A 8 PHE H A 8 PHE HBy 1.0 . 3.49 35 26 A 7 SER H A 7 SER HBx 1.0 . 3.59 36 26 A 7 SER H A 7 SER HBy 1.0 . 3.59 37 27 A 8 PHE H A 7 SER HBx 1.0 . 3.98 38 27 A 8 PHE H A 7 SER HBy 1.0 . 3.98 39 28 A 8 PHE H A 7 SER HA 1.0 . 3.45 40 29 A 5 VAL H A 5 VAL HGy% 1.0 . 4.27 41 30 A 15 VAL H A 15 VAL HGy% 1.0 . 4.84 42 31 A 4 ASP H A 4 ASP HBx 1.0 . 3.46 43 31 A 4 ASP H A 4 ASP HBy 1.0 . 3.46 44 32 A 42 ARG HBy A 42 ARG HDx 1.0 . 4.02 45 32 A 42 ARG HBx A 42 ARG HDx 1.0 . 4.02 46 32 A 42 ARG HDy A 42 ARG HBx 1.0 . 4.02 47 32 A 42 ARG HBy A 42 ARG HDy 1.0 . 4.02 48 33 A 40 VAL HA A 40 VAL HGx% 1.0 . 3.38 49 34 A 40 VAL HA A 40 VAL HGy% 1.0 . 3.38 50 35 A 2 THR HA A 2 THR HG2% 1.0 . 3.37 51 36 A 38 VAL HA A 38 VAL HGx% 1.0 . 3.02 52 36 A 38 VAL HA A 38 VAL HG21 1.0 . 3.02 53 37 A 35 GLN HA A 35 GLN HGx 1.0 . 3.72 54 37 A 35 GLN HA A 35 GLN HGy 1.0 . 3.72 55 38 A 30 LYS HA A 30 LYS HDx 1.0 . 4.13 56 38 A 30 LYS HA A 30 LYS HDy 1.0 . 4.13 57 39 A 28 ARG HA A 28 ARG HGx 1.0 . 3.41 58 39 A 28 ARG HA A 28 ARG HGy 1.0 . 3.41 59 40 A 23 HIS HBx A 23 HIS HD2 1.0 . 3.66 60 41 A 25 ILE HA A 25 ILE HD1% 1.0 . 4.01 61 42 A 25 ILE HA A 25 ILE HG1x 1.0 . 4.06 62 43 A 25 ILE HA A 25 ILE HG2% 1.0 . 3.32 63 44 A 11 LYS HA A 11 LYS HGx 1.0 . 3.61 64 44 A 11 LYS HA A 11 LYS HGy 1.0 . 3.61 65 45 A 22 LEU HG A 19 ALA HA 1.0 . 3.80 66 46 A 25 ILE HA A 25 ILE HG1y 1.0 . 4.06 67 47 A 25 ILE HB A 22 LEU HA 1.0 . 3.72 68 48 A 5 VAL HA A 5 VAL HGx% 1.0 . 3.61 69 49 A 15 VAL HA A 15 VAL HGx% 1.0 . 3.87 70 50 A 5 VAL HA A 5 VAL HGy% 1.0 . 3.61 71 51 A 15 VAL HA A 15 VAL HGy% 1.0 . 3.87 72 52 A 22 LEU HG A 22 LEU HA 1.0 . 4.04 73 53 A 27 LEU HBy A 27 LEU HDy% 1.0 . 3.55 74 53 A 27 LEU HDy% A 27 LEU HBx 1.0 . 3.55 75 54 A 27 LEU HBy A 27 LEU HDx% 1.0 . 3.55 76 54 A 27 LEU HBx A 27 LEU HDx% 1.0 . 3.55 77 55 A 41 CYS HA A 32 GLY HAx 1.0 . 4.70 78 56 A 41 CYS HA A 32 GLY HAy 1.0 . 4.70 79 57 A 25 ILE HB A 25 ILE HD1% 1.0 . 3.40 80 58 A 25 ILE HG2% A 26 ALA HB% 1.0 . 4.31 81 59 A 6 LEU HA A 6 LEU HG 1.0 . 4.14 82 60 A 6 LEU HA A 6 LEU HDx% 1.0 . 4.85 83 61 A 29 LYS HA A 29 LYS HDx 1.0 . 4.13 84 61 A 29 LYS HDy A 29 LYS HA 1.0 . 4.13 85 62 A 13 ILE HA A 13 ILE HD1% 1.0 . 3.70 86 63 A 31 GLY H A 30 LYS HBx 1.0 . 4.14 87 63 A 30 LYS HBy A 31 GLY H 1.0 . 4.14 88 64 A 42 ARG HE A 42 ARG HBx 1.0 . 4.90 89 64 A 42 ARG HBy A 42 ARG HE 1.0 . 4.90 90 65 A 35 GLN HA A 36 ASN H 1.0 . 2.96 91 66 A 36 ASN H A 35 GLN HBx 1.0 . 4.90 92 67 A 35 GLN H A 34 CYS HA 1.0 . 2.98 93 68 A 33 SER HA A 34 CYS H 1.0 . 3.52 94 69 A 41 CYS H A 40 VAL HA 1.0 . 2.74 95 70 A 41 CYS H A 40 VAL HB 1.0 . 4.55 96 71 A 34 CYS HA A 40 VAL H 1.0 . 4.03 97 72 A 40 VAL H A 39 CYS HA 1.0 . 3.13 98 73 A 42 ARG H A 41 CYS HA 1.0 . 3.03 99 74 A 41 CYS HA A 33 SER H 1.0 . 4.42 100 75 A 41 CYS HA A 32 GLY H 1.0 . 5.49 101 76 A 39 CYS H A 38 VAL HA 1.0 . 3.16 102 77 A 18 SER HA A 19 ALA H 1.0 . 3.23 103 78 A 25 ILE H A 26 ALA HA 1.0 . 5.50 104 79 A 25 ILE H A 22 LEU HA 1.0 . 4.08 105 80 A 25 ILE H A 21 ALA HA 1.0 . 4.47 106 81 A 37 GLY H A 34 CYS HBx 1.0 . 5.13 107 81 A 34 CYS HBy A 37 GLY H 1.0 . 5.13 108 82 A 42 ARG H A 41 CYS HBy 1.0 . 4.12 109 83 A 42 ARG H A 41 CYS HBx 1.0 . 4.12 110 84 A 42 ARG H A 29 LYS HBx 1.0 . 4.79 111 84 A 42 ARG H A 29 LYS HBy 1.0 . 4.79 112 85 A 42 ARG H A 24 CYS HBx 1.0 . 5.41 113 85 A 42 ARG H A 24 CYS HBy 1.0 . 5.41 114 86 A 4 ASP H A 2 THR HB 1.0 . 5.04 115 87 A 4 ASP H A 3 CYS HA 1.0 . 3.42 116 88 A 4 ASP H A 2 THR HA 1.0 . 4.53 117 89 A 4 ASP H A 3 CYS HBx 1.0 . 4.59 118 90 A 4 ASP H A 3 CYS HBy 1.0 . 4.59 119 91 A 2 THR HB A 3 CYS H 1.0 . 3.66 120 92 A 20 CYS H A 2 THR HG2% 1.0 . 5.32 121 93 A 39 CYS H A 2 THR HG2% 1.0 . 5.50 122 94 A 33 SER H A 32 GLY HAx 1.0 . 3.38 123 95 A 33 SER H A 32 GLY HAy 1.0 . 3.38 124 96 A 17 HIS H A 16 ASN HBx 1.0 . 4.75 125 96 A 17 HIS H A 16 ASN HBy 1.0 . 4.75 126 97 A 11 LYS HA A 12 GLY H 1.0 . 3.23 127 98 A 12 GLY H A 11 LYS HBx 1.0 . 4.30 128 98 A 11 LYS HBy A 12 GLY H 1.0 . 4.30 129 99 A 12 GLY H A 11 LYS HGx 1.0 . 5.08 130 99 A 11 LYS HGy A 12 GLY H 1.0 . 5.08 131 100 A 12 GLY H A 13 ILE HG1x 1.0 . 5.37 132 100 A 12 GLY H A 13 ILE HG1y 1.0 . 5.37 133 101 A 13 ILE HA A 14 ALA H 1.0 . 3.52 134 102 A 23 HIS HBy A 24 CYS H 1.0 . 3.90 135 103 A 23 HIS HBx A 24 CYS H 1.0 . 3.26 136 104 A 32 GLY H A 31 GLY HAx 1.0 . 3.57 137 105 A 32 GLY H A 31 GLY HAy 1.0 . 3.57 138 106 A 30 LYS H A 29 LYS HA 1.0 . 3.39 139 107 A 32 GLY H A 42 ARG HDx 1.0 . 5.33 140 107 A 42 ARG HDy A 32 GLY H 1.0 . 5.33 141 108 A 43 ASN H A 42 ARG HDx 1.0 . 5.50 142 108 A 43 ASN H A 42 ARG HDy 1.0 . 5.50 143 109 A 30 LYS H A 29 LYS HBx 1.0 . 3.52 144 109 A 30 LYS H A 29 LYS HBy 1.0 . 3.52 145 110 A 8 PHE HA A 9 GLU H 1.0 . 3.48 146 111 A 9 GLU H A 8 PHE HBx 1.0 . 4.06 147 111 A 8 PHE HBy A 9 GLU H 1.0 . 4.06 148 112 A 17 HIS HA A 18 SER H 1.0 . 3.14 149 113 A 22 LEU H A 19 ALA HA 1.0 . 4.22 150 114 A 25 ILE HA A 28 ARG H 1.0 . 4.61 151 115 A 18 SER H A 17 HIS HBy 1.0 . 4.51 152 116 A 18 SER H A 17 HIS HBx 1.0 . 4.51 153 117 A 28 ARG H A 28 ARG HDx 1.0 . 4.74 154 117 A 28 ARG H A 28 ARG HDy 1.0 . 4.74 155 118 A 21 ALA H A 20 CYS HBy 1.0 . 4.14 156 119 A 23 HIS HBy A 21 ALA H 1.0 . 5.50 157 120 A 18 SER H A 18 SER HBy 1.0 . 4.05 158 121 A 23 HIS H A 19 ALA HA 1.0 . 4.43 159 122 A 11 LYS H A 10 ALA HA 1.0 . 3.32 160 123 A 7 SER H A 6 LEU HA 1.0 . 3.23 161 124 A 23 HIS H A 22 LEU HBx 1.0 . 3.60 162 124 A 22 LEU HBy A 23 HIS H 1.0 . 3.60 163 125 A 7 SER H A 6 LEU HBx 1.0 . 4.08 164 125 A 7 SER H A 6 LEU HBy 1.0 . 4.08 165 126 A 22 LEU HG A 23 HIS H 1.0 . 4.28 166 127 A 23 HIS H A 19 ALA HB% 1.0 . 4.62 167 128 A 23 HIS H A 25 ILE HD1% 1.0 . 5.50 168 129 A 9 GLU HA A 10 ALA H 1.0 . 3.51 169 130 A 15 VAL H A 14 ALA HA 1.0 . 3.01 170 131 A 6 LEU H A 4 ASP HBx 1.0 . 4.74 171 131 A 4 ASP HBy A 6 LEU H 1.0 . 4.74 172 132 A 15 VAL H A 14 ALA HB% 1.0 . 3.69 173 133 A 5 VAL H A 5 VAL HB 1.0 . 3.87 174 134 A 10 ALA H A 9 GLU HBy 1.0 . 4.45 175 135 A 23 HIS HA A 26 ALA H 1.0 . 4.18 176 136 A 22 LEU HA A 26 ALA H 1.0 . 4.53 177 137 A 29 LYS H A 25 ILE HA 1.0 . 3.67 178 138 A 25 ILE HB A 26 ALA H 1.0 . 3.57 179 139 A 29 LYS H A 27 LEU HBx 1.0 . 4.51 180 139 A 29 LYS H A 27 LEU HBy 1.0 . 4.51 181 140 A 34 CYS HA A 38 VAL H 1.0 . 4.94 182 141 A 27 LEU H A 24 CYS HA 1.0 . 3.98 183 142 A 27 LEU H A 28 ARG HA 1.0 . 5.13 184 143 A 23 HIS HD2 A 24 CYS HA 1.0 . 4.31 185 144 A 23 HIS HD2 A 24 CYS HBx 1.0 . 4.58 186 144 A 23 HIS HD2 A 24 CYS HBy 1.0 . 4.58 187 145 A 42 ARG H A 32 GLY H 1.0 . 4.55 188 146 A 42 ARG H A 43 ASN H 1.0 . 5.02 189 147 A 40 VAL H A 33 SER H 1.0 . 3.99 190 148 A 35 GLN H A 40 VAL H 1.0 . 5.16 191 149 A 35 GLN H A 38 VAL H 1.0 . 3.88 192 150 A 37 GLY H A 38 VAL H 1.0 . 4.31 193 151 A 36 ASN H A 37 GLY H 1.0 . 4.51 194 152 A 30 LYS H A 31 GLY H 1.0 . 3.42 195 153 A 42 ARG H A 31 GLY H 1.0 . 4.33 196 154 A 29 LYS H A 28 ARG H 1.0 . 3.46 197 155 A 27 LEU H A 28 ARG H 1.0 . 3.40 198 156 A 27 LEU H A 26 ALA H 1.0 . 3.44 199 157 A 25 ILE H A 26 ALA H 1.0 . 3.54 200 158 A 25 ILE H A 24 CYS H 1.0 . 3.49 201 159 A 20 CYS H A 21 ALA H 1.0 . 3.64 202 160 A 19 ALA H A 21 ALA H 1.0 . 5.25 203 161 A 11 LYS H A 12 GLY H 1.0 . 4.84 204 162 A 17 HIS H A 18 SER H 1.0 . 5.17 205 163 A 15 VAL H A 14 ALA H 1.0 . 4.79 206 164 A 15 VAL H A 16 ASN H 1.0 . 5.19 207 165 A 13 ILE H A 14 ALA H 1.0 . 4.61 208 166 A 13 ILE H A 12 GLY H 1.0 . 4.02 209 167 A 5 VAL H A 4 ASP H 1.0 . 4.49 210 168 A 23 HIS HD2 A 24 CYS H 1.0 . 4.46 211 169 A 23 HIS H A 24 CYS H 1.0 . 3.47 212 170 A 19 ALA H A 18 SER H 1.0 . 4.50 213 171 A 25 ILE H A 23 HIS H 1.0 . 4.70 214 172 A 29 LYS H A 27 LEU H 1.0 . 4.34 215 173 A 8 PHE H A 9 GLU H 1.0 . 4.69 216 174 A 8 PHE HA A 8 PHE HD% 1.0 . 3.81 217 175 A 15 VAL HA A 17 HIS HD2 1.0 . 4.96 218 176 A 9 GLU H A 8 PHE HD% 1.0 . 4.87 219 177 A 23 HIS HBx A 20 CYS HA 1.0 . 4.07 220 178 A 23 HIS HBy A 20 CYS HA 1.0 . 4.45 221 179 A 41 CYS HA A 24 CYS HBx 1.0 . 4.25 222 179 A 41 CYS HA A 24 CYS HBy 1.0 . 4.25 223 180 A 21 ALA HA A 24 CYS HBx 1.0 . 3.87 224 180 A 21 ALA HA A 24 CYS HBy 1.0 . 3.87 225 181 A 23 HIS HBx A 24 CYS HBx 1.0 . 4.26 226 181 A 23 HIS HBx A 24 CYS HBy 1.0 . 4.26 227 182 A 26 ALA HB% A 23 HIS HA 1.0 . 3.38 228 183 A 6 LEU HG A 4 ASP HA 1.0 . 4.67 229 184 A 24 CYS HA A 27 LEU HBx 1.0 . 3.93 230 184 A 27 LEU HBy A 24 CYS HA 1.0 . 3.93 231 185 A 6 LEU HA A 6 LEU HDy% 1.0 . 4.85 232 186 A 30 LYS HA A 25 ILE HD1% 1.0 . 5.50 233 187 A 25 ILE HD1% A 31 GLY HAy 1.0 . 5.50 234 188 A 24 CYS HA A 27 LEU HDx% 1.0 . 5.07 235 189 A 24 CYS HA A 27 LEU HDy% 1.0 . 5.07 236 190 A 25 ILE HD1% A 22 LEU HA 1.0 . 3.56 237 191 A 15 VAL HA A 14 ALA HB% 1.0 . 4.56 238 192 A 29 LYS HGx A 41 CYS HBx 1.0 . 5.36 239 193 A 24 CYS HBy A 29 LYS HBx 1.0 . 4.08 240 193 A 24 CYS HBx A 29 LYS HBx 1.0 . 4.08 241 193 A 29 LYS HBy A 24 CYS HBx 1.0 . 4.08 242 193 A 29 LYS HBy A 24 CYS HBy 1.0 . 4.08 243 194 A 29 LYS HGy A 41 CYS HBy 1.0 . 5.36 244 195 A 13 ILE HD1% A 11 LYS HBx 1.0 . 5.37 245 195 A 11 LYS HBy A 13 ILE HD1% 1.0 . 5.37 246 196 A 21 ALA HB% A 25 ILE HD1% 1.0 . 3.45 247 197 A 13 ILE HD1% A 13 ILE HB 1.0 . 3.22 248 198 A 40 VAL HGx% A 35 GLN HGx 1.0 . 4.79 249 198 A 35 GLN HGy A 40 VAL HGx% 1.0 . 4.79 250 199 A 35 GLN HGx A 40 VAL HGy% 1.0 . 4.79 251 199 A 35 GLN HGy A 40 VAL HGy% 1.0 . 4.79 252 200 A 25 ILE HD1% A 25 ILE HG2% 1.0 . 3.39 253 201 A 30 LYS HBx A 30 LYS HDx 1.0 . 2.85 254 201 A 30 LYS HBy A 30 LYS HDx 1.0 . 2.85 255 201 A 30 LYS HDy A 30 LYS HBx 1.0 . 2.85 256 201 A 30 LYS HDy A 30 LYS HBy 1.0 . 2.85 257 202 A 25 ILE HD1% A 31 GLY HAx 1.0 . 5.50 258 203 A 25 ILE HD1% A 21 ALA HA 1.0 . 4.60 259 204 A 22 LEU H A 23 HIS HA 1.0 . 5.50 260 205 A 8 PHE H A 8 PHE HD% 1.0 . 4.37 261 206 A 9 GLU H A 10 ALA H 1.0 . 4.12 262 207 A 34 CYS HA A 38 VAL HGx% 1.0 . 5.01 263 207 A 38 VAL HG21 A 34 CYS HA 1.0 . 5.01 264 208 A 41 CYS HBy A 29 LYS HGx 1.0 . 5.36 265 209 A 22 LEU HA A 26 ALA HB% 1.0 . 5.03 266 210 A 4 ASP HA A 6 LEU HBx 1.0 . 5.27 267 210 A 6 LEU HBy A 4 ASP HA 1.0 . 5.27 268 211 A 27 LEU H A 25 ILE H 1.0 . 5.09 269 212 A 39 CYS H A 38 VAL H 1.0 . 5.25 270 213 A 16 ASN H A 16 ASN HD2x 1.0 . 5.36 271 214 A 16 ASN H A 17 HIS HD2 1.0 . 5.50 272 215 A 20 CYS H A 19 ALA H 1.0 . 3.95 273 216 A 11 LYS H A 10 ALA H 1.0 . 4.16 274 217 A 13 ILE H A 11 LYS H 1.0 . 5.47 275 218 A 23 HIS H A 23 HIS HD2 1.0 . 5.50 276 219 A 17 HIS H A 17 HIS HD2 1.0 . 5.48 277 220 A 16 ASN H A 16 ASN HD2y 1.0 . 5.36 278 221 A 7 SER HA A 8 PHE HD% 1.0 . 5.50 279 222 A 9 GLU HA A 8 PHE HD% 1.0 . 5.50 280 223 A 23 HIS HD2 A 20 CYS HA 1.0 . 5.19 281 224 A 23 HIS HD2 A 23 HIS HA 1.0 . 5.03 282 225 A 38 VAL H A 34 CYS HBx 1.0 . 5.50 283 225 A 34 CYS HBy A 38 VAL H 1.0 . 5.50 284 226 A 38 VAL H A 36 ASN HBx 1.0 . 5.37 285 227 A 38 VAL H A 36 ASN HBy 1.0 . 5.37 286 228 A 42 ARG H A 41 CYS H 1.0 . 5.15 287 229 A 28 ARG H A 24 CYS HA 1.0 . 4.15 288 230 A 27 LEU H A 23 HIS HA 1.0 . 5.34 289 231 A 17 HIS HD2 A 15 VAL HGx% 1.0 . 5.02 290 232 A 25 ILE HG2% A 28 ARG H 1.0 . 5.50 291 233 A 29 LYS HGy A 41 CYS HBx 1.0 . 5.36 292 234 A 13 ILE HG2% A 13 ILE HG1x 1.0 . 3.23 293 234 A 13 ILE HG2% A 13 ILE HG1y 1.0 . 3.23 294 235 A 35 GLN H A 39 CYS HA 1.0 . 4.40 295 236 A 23 HIS H A 24 CYS HBx 1.0 . 4.65 296 236 A 23 HIS H A 24 CYS HBy 1.0 . 4.65 297 237 A 38 VAL HA A 34 CYS HBx 1.0 . 5.50 298 237 A 38 VAL HA A 34 CYS HBy 1.0 . 5.50 299 238 A 41 CYS H A 24 CYS HBx 1.0 . 5.46 300 238 A 41 CYS H A 24 CYS HBy 1.0 . 5.46 301 239 A 7 SER HA A 8 PHE HBx 1.0 . 5.33 302 239 A 8 PHE HBy A 7 SER HA 1.0 . 5.33 303 240 A 20 CYS H A 18 SER HA 1.0 . 4.33 304 241 A 25 ILE HD1% A 26 ALA H 1.0 . 5.12 305 242 A 13 ILE H A 11 LYS HA 1.0 . 5.36 306 243 A 8 PHE HD% A 9 GLU HGx 1.0 . 5.09 307 243 A 8 PHE HD% A 9 GLU HGy 1.0 . 5.09 308 244 A 33 SER HA A 32 GLY H 1.0 . 5.11 309 245 A 18 SER H A 18 SER HBx 1.0 . 4.05 310 246 A 15 VAL HA A 16 ASN H 1.0 . 3.52 311 247 A 3 CYS H A 3 CYS HBx 1.0 . 4.05 312 248 A 3 CYS H A 3 CYS HBy 1.0 . 4.05 313 249 A 41 CYS H A 41 CYS HBx 1.0 . 3.90 314 250 A 34 CYS H A 34 CYS HBx 1.0 . 3.32 315 250 A 34 CYS H A 34 CYS HBy 1.0 . 3.32 316 251 A 35 GLN H A 34 CYS HBx 1.0 . 3.89 317 251 A 35 GLN H A 34 CYS HBy 1.0 . 3.89 318 252 A 29 LYS H A 24 CYS HBx 1.0 . 5.23 319 252 A 29 LYS H A 24 CYS HBy 1.0 . 5.23 320 253 A 5 VAL H A 4 ASP HBx 1.0 . 3.80 321 253 A 5 VAL H A 4 ASP HBy 1.0 . 3.80 322 254 A 21 ALA H A 20 CYS HBx 1.0 . 4.14 323 255 A 24 CYS H A 24 CYS HBx 1.0 . 2.87 324 255 A 24 CYS HBy A 24 CYS H 1.0 . 2.87 325 256 A 16 ASN H A 16 ASN HBx 1.0 . 3.69 326 256 A 16 ASN HBy A 16 ASN H 1.0 . 3.69 327 257 A 25 ILE H A 24 CYS HBx 1.0 . 3.40 328 257 A 25 ILE H A 24 CYS HBy 1.0 . 3.40 329 258 A 39 CYS H A 39 CYS HBx 1.0 . 3.70 330 259 A 20 CYS H A 20 CYS HBx 1.0 . 3.58 331 260 A 35 GLN H A 35 GLN HGx 1.0 . 4.32 332 260 A 35 GLN H A 35 GLN HGy 1.0 . 4.32 333 261 A 36 ASN H A 35 GLN HGx 1.0 . 4.34 334 261 A 35 GLN HGy A 36 ASN H 1.0 . 4.34 335 262 A 36 ASN H A 35 GLN HBy 1.0 . 4.90 336 263 A 35 GLN H A 35 GLN HBy 1.0 . 4.11 337 264 A 35 GLN H A 38 VAL HB 1.0 . 4.65 338 265 A 40 VAL HB A 40 VAL H 1.0 . 3.93 339 266 A 39 CYS H A 38 VAL HB 1.0 . 4.25 340 267 A 9 GLU H A 9 GLU HGx 1.0 . 4.01 341 267 A 9 GLU H A 9 GLU HGy 1.0 . 4.01 342 268 A 10 ALA H A 9 GLU HGx 1.0 . 4.68 343 268 A 10 ALA H A 9 GLU HGy 1.0 . 4.68 344 269 A 31 GLY H A 29 LYS HBx 1.0 . 4.45 345 269 A 29 LYS HBy A 31 GLY H 1.0 . 4.45 346 270 A 38 VAL H A 38 VAL HB 1.0 . 3.39 347 271 A 13 ILE H A 13 ILE HB 1.0 . 3.74 348 272 A 15 VAL HB A 16 ASN H 1.0 . 4.09 349 273 A 40 VAL HB A 33 SER H 1.0 . 5.11 350 274 A 9 GLU H A 9 GLU HBy 1.0 . 3.94 351 275 A 9 GLU H A 9 GLU HBx 1.0 . 3.94 352 276 A 10 ALA H A 9 GLU HBx 1.0 . 4.45 353 277 A 26 ALA HB% A 26 ALA H 1.0 . 2.78 354 278 A 29 LYS H A 28 ARG HGx 1.0 . 4.63 355 278 A 29 LYS H A 28 ARG HGy 1.0 . 4.63 356 279 A 30 LYS HZ% A 30 LYS HDx 1.0 . 4.14 357 279 A 30 LYS HDy A 30 LYS HZ% 1.0 . 4.14 358 280 A 27 LEU H A 27 LEU HG 1.0 . 4.55 359 281 A 27 LEU H A 26 ALA HB% 1.0 . 3.35 360 282 A 13 ILE H A 13 ILE HG1x 1.0 . 3.93 361 282 A 13 ILE H A 13 ILE HG1y 1.0 . 3.93 362 283 A 10 ALA H A 10 ALA HB% 1.0 . 3.01 363 284 A 11 LYS H A 10 ALA HB% 1.0 . 3.84 364 285 A 11 LYS H A 11 LYS HGx 1.0 . 4.21 365 285 A 11 LYS H A 11 LYS HGy 1.0 . 4.21 366 286 A 14 ALA H A 14 ALA HB% 1.0 . 2.99 367 287 A 30 LYS H A 30 LYS HGx 1.0 . 4.11 368 288 A 6 LEU H A 6 LEU HBx 1.0 . 3.49 369 288 A 6 LEU HBy A 6 LEU H 1.0 . 3.49 370 289 A 6 LEU HG A 6 LEU H 1.0 . 3.61 371 290 A 33 SER H A 42 ARG HBx 1.0 . 5.12 372 290 A 42 ARG HBy A 33 SER H 1.0 . 5.12 373 291 A 30 LYS H A 30 LYS HBx 1.0 . 3.68 374 291 A 30 LYS H A 30 LYS HBy 1.0 . 3.68 375 292 A 10 ALA H A 11 LYS HBx 1.0 . 4.44 376 292 A 11 LYS HBy A 10 ALA H 1.0 . 4.44 377 293 A 14 ALA H A 13 ILE HB 1.0 . 4.14 378 294 A 42 ARG H A 42 ARG HBx 1.0 . 4.09 379 294 A 42 ARG H A 42 ARG HBy 1.0 . 4.09 380 295 A 25 ILE H A 25 ILE HG1y 1.0 . 3.77 381 296 A 19 ALA H A 19 ALA HB% 1.0 . 3.03 382 297 A 42 ARG H A 42 ARG HGx 1.0 . 3.86 383 298 A 20 CYS H A 19 ALA HB% 1.0 . 3.58 384 299 A 21 ALA HB% A 21 ALA H 1.0 . 2.77 385 300 A 2 THR HG2% A 3 CYS H 1.0 . 3.99 386 301 A 35 GLN H A 38 VAL HGx% 1.0 . 4.31 387 301 A 35 GLN H A 38 VAL HG21 1.0 . 4.31 388 302 A 39 CYS H A 38 VAL HGx% 1.0 . 3.28 389 302 A 39 CYS H A 38 VAL HG21 1.0 . 3.28 390 303 A 23 HIS HE1 A 27 LEU HDx% 1.0 . 4.67 391 304 A 23 HIS HE1 A 27 LEU HDy% 1.0 . 4.67 392 305 A 25 ILE H A 25 ILE HG2% 1.0 . 3.82 393 306 A 25 ILE H A 25 ILE HD1% 1.0 . 3.89 394 307 A 13 ILE HD1% A 14 ALA H 1.0 . 3.84 395 308 A 11 LYS H A 13 ILE HD1% 1.0 . 4.80 396 309 A 25 ILE HD1% A 21 ALA H 1.0 . 5.26 397 310 A 5 VAL H A 5 VAL HGx% 1.0 . 4.27 398 311 A 15 VAL H A 15 VAL HGx% 1.0 . 4.84 399 312 A 25 ILE HG2% A 26 ALA H 1.0 . 3.82 400 313 A 13 ILE H A 13 ILE HD1% 1.0 . 3.78 401 314 A 38 VAL H A 38 VAL HGx% 1.0 . 3.11 402 314 A 38 VAL HG21 A 38 VAL H 1.0 . 3.11 403 315 A 27 LEU H A 27 LEU HDx% 1.0 . 4.34 404 316 A 27 LEU H A 27 LEU HDy% 1.0 . 4.34 405 317 A 40 VAL H A 38 VAL HGx% 1.0 . 4.76 406 317 A 38 VAL HG21 A 40 VAL H 1.0 . 4.76 407 318 A 17 HIS HD2 A 15 VAL HGy% 1.0 . 5.02 408 319 A 2 THR HG2% A 20 CYS HBx 1.0 . 4.60 409 319 A 2 THR HG2% A 20 CYS HBy 1.0 . 4.60 410 320 A 2 THR HG2% A 39 CYS HBx 1.0 . 4.74 411 320 A 2 THR HG2% A 39 CYS HBy 1.0 . 4.74 412 321 A 3 CYS H A 3 CYS HBx 1.0 . 3.42 413 321 A 3 CYS H A 3 CYS HBy 1.0 . 3.42 414 322 A 4 ASP H A 3 CYS HBx 1.0 . 4.03 415 322 A 4 ASP H A 3 CYS HBy 1.0 . 4.03 416 323 A 3 CYS HBy A 37 GLY HAy 1.0 . 5.18 417 323 A 37 GLY HAx A 3 CYS HBx 1.0 . 5.18 418 323 A 3 CYS HBy A 37 GLY HAx 1.0 . 5.18 419 323 A 3 CYS HBx A 37 GLY HAy 1.0 . 5.18 420 324 A 38 VAL H A 3 CYS HBx 1.0 . 5.34 421 324 A 38 VAL H A 3 CYS HBy 1.0 . 5.34 422 325 A 4 ASP HA A 5 VAL HGy% 1.0 . 4.77 423 325 A 4 ASP HA A 5 VAL HGx% 1.0 . 4.77 424 326 A 5 VAL H A 5 VAL HGy% 1.0 . 3.01 425 326 A 5 VAL H A 5 VAL HGx% 1.0 . 3.01 426 327 A 6 LEU HA A 5 VAL HGy% 1.0 . 4.55 427 327 A 6 LEU HA A 5 VAL HGx% 1.0 . 4.55 428 328 A 6 LEU H A 6 LEU HDx% 1.0 . 4.06 429 328 A 6 LEU H A 6 LEU HDy% 1.0 . 4.06 430 329 A 6 LEU HA A 6 LEU HDx% 1.0 . 3.59 431 329 A 6 LEU HA A 6 LEU HDy% 1.0 . 3.59 432 330 A 7 SER H A 6 LEU HDx% 1.0 . 5.02 433 330 A 7 SER H A 6 LEU HDy% 1.0 . 5.02 434 331 A 9 GLU H A 9 GLU HBx 1.0 . 3.45 435 331 A 9 GLU H A 9 GLU HBy 1.0 . 3.45 436 332 A 12 GLY HAy A 13 ILE HG1x 1.0 . 4.59 437 332 A 12 GLY HAx A 13 ILE HG1x 1.0 . 4.59 438 332 A 13 ILE HG1y A 12 GLY HAy 1.0 . 4.59 439 332 A 13 ILE HG1y A 12 GLY HAx 1.0 . 4.59 440 333 A 13 ILE HD1% A 12 GLY HAy 1.0 . 4.53 441 333 A 13 ILE HD1% A 12 GLY HAx 1.0 . 4.53 442 334 A 15 VAL H A 15 VAL HGy% 1.0 . 3.31 443 334 A 15 VAL H A 15 VAL HGx% 1.0 . 3.31 444 335 A 15 VAL HB A 16 ASN HD2x 1.0 . 5.24 445 335 A 15 VAL HB A 16 ASN HD2y 1.0 . 5.24 446 336 A 16 ASN H A 15 VAL HGy% 1.0 . 3.72 447 336 A 16 ASN H A 15 VAL HGx% 1.0 . 3.72 448 337 A 16 ASN HD2x A 15 VAL HGy% 1.0 . 4.24 449 337 A 16 ASN HD2y A 15 VAL HGy% 1.0 . 4.24 450 337 A 16 ASN HD2y A 15 VAL HGx% 1.0 . 4.24 451 337 A 16 ASN HD2x A 15 VAL HGx% 1.0 . 4.24 452 338 A 17 HIS HD2 A 15 VAL HGy% 1.0 . 4.06 453 338 A 17 HIS HD2 A 15 VAL HGx% 1.0 . 4.06 454 339 A 16 ASN H A 16 ASN HD2x 1.0 . 4.71 455 339 A 16 ASN H A 16 ASN HD2y 1.0 . 4.71 456 340 A 16 ASN HA A 16 ASN HD2x 1.0 . 4.76 457 340 A 16 ASN HA A 16 ASN HD2y 1.0 . 4.76 458 341 A 16 ASN HBy A 16 ASN HD2y 1.0 . 3.40 459 341 A 16 ASN HD2x A 16 ASN HBx 1.0 . 3.40 460 341 A 16 ASN HBy A 16 ASN HD2x 1.0 . 3.40 461 341 A 16 ASN HD2y A 16 ASN HBx 1.0 . 3.40 462 342 A 18 SER H A 18 SER HBy 1.0 . 3.51 463 342 A 18 SER H A 18 SER HBx 1.0 . 3.51 464 343 A 20 CYS H A 18 SER HBy 1.0 . 5.16 465 343 A 20 CYS H A 18 SER HBx 1.0 . 5.16 466 344 A 21 ALA H A 18 SER HBy 1.0 . 4.94 467 344 A 21 ALA H A 18 SER HBx 1.0 . 4.94 468 345 A 19 ALA H A 22 LEU HDx% 1.0 . 4.30 469 345 A 19 ALA H A 22 LEU HD21 1.0 . 4.30 470 346 A 19 ALA HA A 22 LEU HDx% 1.0 . 3.49 471 346 A 19 ALA HA A 22 LEU HD21 1.0 . 3.49 472 347 A 19 ALA HB% A 22 LEU HDx% 1.0 . 3.58 473 347 A 19 ALA HB% A 22 LEU HD21 1.0 . 3.58 474 348 A 20 CYS H A 20 CYS HBx 1.0 . 2.98 475 348 A 20 CYS H A 20 CYS HBy 1.0 . 2.98 476 349 A 21 ALA H A 20 CYS HBx 1.0 . 3.36 477 349 A 21 ALA H A 20 CYS HBy 1.0 . 3.36 478 350 A 20 CYS HBy A 39 CYS HBx 1.0 . 3.95 479 350 A 39 CYS HBy A 20 CYS HBx 1.0 . 3.95 480 350 A 20 CYS HBy A 39 CYS HBy 1.0 . 3.95 481 350 A 20 CYS HBx A 39 CYS HBx 1.0 . 3.95 482 351 A 22 LEU H A 22 LEU HDx% 1.0 . 3.48 483 351 A 22 LEU H A 22 LEU HD21 1.0 . 3.48 484 352 A 22 LEU HA A 25 ILE HG1x 1.0 . 4.39 485 352 A 22 LEU HA A 25 ILE HG1y 1.0 . 4.39 486 353 A 23 HIS H A 22 LEU HDx% 1.0 . 4.48 487 353 A 23 HIS H A 22 LEU HD21 1.0 . 4.48 488 354 A 23 HIS HD2 A 27 LEU HDx% 1.0 . 4.02 489 354 A 23 HIS HD2 A 27 LEU HDy% 1.0 . 4.02 490 355 A 23 HIS HE1 A 27 LEU HDx% 1.0 . 3.88 491 355 A 23 HIS HE1 A 27 LEU HDy% 1.0 . 3.88 492 356 A 24 CYS HA A 27 LEU HDx% 1.0 . 3.68 493 356 A 24 CYS HA A 27 LEU HDy% 1.0 . 3.68 494 357 A 24 CYS HBx A 25 ILE HG1x 1.0 . 3.90 495 357 A 25 ILE HG1y A 24 CYS HBx 1.0 . 3.90 496 357 A 24 CYS HBy A 25 ILE HG1y 1.0 . 3.90 497 357 A 24 CYS HBy A 25 ILE HG1x 1.0 . 3.90 498 358 A 24 CYS HBy A 29 LYS HGx 1.0 . 4.17 499 358 A 24 CYS HBx A 29 LYS HGx 1.0 . 4.17 500 358 A 29 LYS HGy A 24 CYS HBx 1.0 . 4.17 501 358 A 24 CYS HBy A 29 LYS HGy 1.0 . 4.17 502 359 A 24 CYS HBy A 41 CYS HBx 1.0 . 3.53 503 359 A 24 CYS HBx A 41 CYS HBx 1.0 . 3.53 504 359 A 41 CYS HBy A 24 CYS HBx 1.0 . 3.53 505 359 A 24 CYS HBy A 41 CYS HBy 1.0 . 3.53 506 360 A 25 ILE H A 25 ILE HG1x 1.0 . 3.13 507 360 A 25 ILE H A 25 ILE HG1y 1.0 . 3.13 508 361 A 25 ILE HA A 25 ILE HG1x 1.0 . 3.50 509 361 A 25 ILE HA A 25 ILE HG1y 1.0 . 3.50 510 362 A 27 LEU H A 27 LEU HDx% 1.0 . 3.79 511 362 A 27 LEU H A 27 LEU HDy% 1.0 . 3.79 512 363 A 27 LEU HA A 27 LEU HDx% 1.0 . 2.98 513 363 A 27 LEU HDy% A 27 LEU HA 1.0 . 2.98 514 364 A 28 ARG H A 28 ARG HBy 1.0 . 3.68 515 364 A 28 ARG H A 28 ARG HBx 1.0 . 3.68 516 365 A 29 LYS H A 29 LYS HGx 1.0 . 4.74 517 365 A 29 LYS H A 29 LYS HGy 1.0 . 4.74 518 366 A 29 LYS HA A 29 LYS HGx 1.0 . 3.62 519 366 A 29 LYS HA A 29 LYS HGy 1.0 . 3.62 520 367 A 29 LYS HA A 30 LYS HGx 1.0 . 4.64 521 367 A 29 LYS HA A 30 LYS HGy 1.0 . 4.64 522 368 A 29 LYS HBy A 30 LYS HGx 1.0 . 5.08 523 368 A 30 LYS HGy A 29 LYS HBx 1.0 . 5.08 524 368 A 29 LYS HBy A 30 LYS HGy 1.0 . 5.08 525 368 A 29 LYS HBx A 30 LYS HGx 1.0 . 5.08 526 369 A 29 LYS HBx A 41 CYS HBx 1.0 . 3.86 527 369 A 29 LYS HBy A 41 CYS HBx 1.0 . 3.86 528 369 A 41 CYS HBy A 29 LYS HBx 1.0 . 3.86 529 369 A 29 LYS HBy A 41 CYS HBy 1.0 . 3.86 530 370 A 30 LYS H A 29 LYS HGx 1.0 . 3.73 531 370 A 30 LYS H A 29 LYS HGy 1.0 . 3.73 532 371 A 29 LYS HGy A 30 LYS HEx 1.0 . 5.34 533 371 A 29 LYS HGx A 30 LYS HEx 1.0 . 5.34 534 371 A 30 LYS HEy A 29 LYS HGx 1.0 . 5.34 535 371 A 29 LYS HGy A 30 LYS HEy 1.0 . 5.34 536 372 A 31 GLY H A 29 LYS HGx 1.0 . 4.55 537 372 A 31 GLY H A 29 LYS HGy 1.0 . 4.55 538 373 A 29 LYS HGx A 41 CYS HBx 1.0 . 3.69 539 373 A 29 LYS HGy A 41 CYS HBx 1.0 . 3.69 540 373 A 41 CYS HBy A 29 LYS HGx 1.0 . 3.69 541 373 A 29 LYS HGy A 41 CYS HBy 1.0 . 3.69 542 374 A 30 LYS H A 30 LYS HGx 1.0 . 3.57 543 374 A 30 LYS H A 30 LYS HGy 1.0 . 3.57 544 375 A 30 LYS H A 41 CYS HBx 1.0 . 5.17 545 375 A 30 LYS H A 41 CYS HBy 1.0 . 5.17 546 376 A 30 LYS HZ% A 30 LYS HGx 1.0 . 4.10 547 376 A 30 LYS HZ% A 30 LYS HGy 1.0 . 4.10 548 377 A 31 GLY H A 30 LYS HGx 1.0 . 4.58 549 377 A 31 GLY H A 30 LYS HGy 1.0 . 4.58 550 378 A 31 GLY H A 41 CYS HBx 1.0 . 5.34 551 378 A 31 GLY H A 41 CYS HBy 1.0 . 5.34 552 379 A 31 GLY H A 42 ARG HGy 1.0 . 5.04 553 379 A 31 GLY H A 42 ARG HGx 1.0 . 5.04 554 380 A 32 GLY H A 31 GLY HAy 1.0 . 3.12 555 380 A 32 GLY H A 31 GLY HAx 1.0 . 3.12 556 381 A 42 ARG H A 31 GLY HAy 1.0 . 4.11 557 381 A 42 ARG H A 31 GLY HAx 1.0 . 4.11 558 382 A 42 ARG HE A 31 GLY HAy 1.0 . 5.34 559 382 A 42 ARG HE A 31 GLY HAx 1.0 . 5.34 560 383 A 32 GLY H A 33 SER HBy 1.0 . 5.34 561 383 A 32 GLY H A 33 SER HBx 1.0 . 5.34 562 384 A 32 GLY H A 42 ARG HGy 1.0 . 3.36 563 384 A 32 GLY H A 42 ARG HGx 1.0 . 3.36 564 385 A 33 SER H A 32 GLY HAy 1.0 . 2.92 565 385 A 33 SER H A 32 GLY HAx 1.0 . 2.92 566 386 A 41 CYS HA A 32 GLY HAy 1.0 . 4.05 567 386 A 41 CYS HA A 32 GLY HAx 1.0 . 4.05 568 387 A 42 ARG H A 32 GLY HAy 1.0 . 3.88 569 387 A 42 ARG H A 32 GLY HAx 1.0 . 3.88 570 388 A 32 GLY HAx A 42 ARG HGy 1.0 . 4.06 571 388 A 32 GLY HAy A 42 ARG HGy 1.0 . 4.06 572 388 A 42 ARG HGx A 32 GLY HAy 1.0 . 4.06 573 388 A 42 ARG HGx A 32 GLY HAx 1.0 . 4.06 574 389 A 32 GLY HAy A 42 ARG HDx 1.0 . 5.34 575 389 A 32 GLY HAx A 42 ARG HDx 1.0 . 5.34 576 389 A 42 ARG HDy A 32 GLY HAy 1.0 . 5.34 577 389 A 42 ARG HDy A 32 GLY HAx 1.0 . 5.34 578 390 A 42 ARG HE A 32 GLY HAy 1.0 . 5.34 579 390 A 42 ARG HE A 32 GLY HAx 1.0 . 5.34 580 391 A 33 SER H A 33 SER HBy 1.0 . 3.52 581 391 A 33 SER H A 33 SER HBx 1.0 . 3.52 582 392 A 33 SER H A 40 VAL HGy% 1.0 . 5.37 583 392 A 33 SER H A 40 VAL HGx% 1.0 . 5.37 584 393 A 33 SER H A 42 ARG HGy 1.0 . 5.08 585 393 A 33 SER H A 42 ARG HGx 1.0 . 5.08 586 394 A 33 SER HA A 42 ARG HGy 1.0 . 5.34 587 394 A 33 SER HA A 42 ARG HGx 1.0 . 5.34 588 395 A 34 CYS H A 33 SER HBy 1.0 . 4.00 589 395 A 34 CYS H A 33 SER HBx 1.0 . 4.00 590 396 A 33 SER HBy A 34 CYS HBx 1.0 . 5.34 591 396 A 34 CYS HBy A 33 SER HBy 1.0 . 5.34 592 396 A 34 CYS HBy A 33 SER HBx 1.0 . 5.34 593 396 A 33 SER HBx A 34 CYS HBx 1.0 . 5.34 594 397 A 34 CYS HA A 35 GLN HBy 1.0 . 5.02 595 397 A 34 CYS HA A 35 GLN HBx 1.0 . 5.02 596 398 A 34 CYS HA A 39 CYS HBx 1.0 . 5.34 597 398 A 34 CYS HA A 39 CYS HBy 1.0 . 5.34 598 399 A 34 CYS HA A 40 VAL HGy% 1.0 . 4.57 599 399 A 34 CYS HA A 40 VAL HGx% 1.0 . 4.57 600 400 A 34 CYS HBy A 37 GLY HAy 1.0 . 5.34 601 400 A 34 CYS HBx A 37 GLY HAy 1.0 . 5.34 602 400 A 37 GLY HAx A 34 CYS HBx 1.0 . 5.34 603 400 A 34 CYS HBy A 37 GLY HAx 1.0 . 5.34 604 401 A 35 GLN H A 35 GLN HBy 1.0 . 3.52 605 401 A 35 GLN H A 35 GLN HBx 1.0 . 3.52 606 402 A 35 GLN H A 40 VAL HGy% 1.0 . 3.78 607 402 A 35 GLN H A 40 VAL HGx% 1.0 . 3.78 608 403 A 36 ASN H A 35 GLN HBy 1.0 . 4.17 609 403 A 36 ASN H A 35 GLN HBx 1.0 . 4.17 610 404 A 38 VAL H A 35 GLN HBy 1.0 . 5.01 611 404 A 38 VAL H A 35 GLN HBx 1.0 . 5.01 612 405 A 35 GLN HBx A 40 VAL HGy% 1.0 . 3.29 613 405 A 35 GLN HBy A 40 VAL HGy% 1.0 . 3.29 614 405 A 40 VAL HGx% A 35 GLN HBy 1.0 . 3.29 615 405 A 40 VAL HGx% A 35 GLN HBx 1.0 . 3.29 616 406 A 35 GLN HGx A 40 VAL HGy% 1.0 . 3.86 617 406 A 35 GLN HGy A 40 VAL HGy% 1.0 . 3.86 618 406 A 40 VAL HGx% A 35 GLN HGx 1.0 . 3.86 619 406 A 35 GLN HGy A 40 VAL HGx% 1.0 . 3.86 620 407 A 35 GLN HE2y A 40 VAL HGy% 1.0 . 4.55 621 407 A 35 GLN HE2x A 40 VAL HGy% 1.0 . 4.55 622 407 A 40 VAL HGx% A 35 GLN HE2x 1.0 . 4.55 623 407 A 40 VAL HGx% A 35 GLN HE2y 1.0 . 4.55 624 408 A 36 ASN HBy A 36 ASN HD2x 1.0 . 3.18 625 408 A 36 ASN HBx A 36 ASN HD2x 1.0 . 3.18 626 408 A 36 ASN HD2y A 36 ASN HBx 1.0 . 3.18 627 408 A 36 ASN HBy A 36 ASN HD2y 1.0 . 3.18 628 409 A 37 GLY HAx A 38 VAL HGx% 1.0 . 4.44 629 409 A 37 GLY HAy A 38 VAL HGx% 1.0 . 4.44 630 409 A 38 VAL HG21 A 37 GLY HAy 1.0 . 4.44 631 409 A 38 VAL HG21 A 37 GLY HAx 1.0 . 4.44 632 410 A 38 VAL HA A 39 CYS HBx 1.0 . 4.46 633 410 A 38 VAL HA A 39 CYS HBy 1.0 . 4.46 634 411 A 38 VAL HG21 A 39 CYS HBx 1.0 . 4.66 635 411 A 38 VAL HGx% A 39 CYS HBx 1.0 . 4.66 636 411 A 39 CYS HBy A 38 VAL HGx% 1.0 . 4.66 637 411 A 38 VAL HG21 A 39 CYS HBy 1.0 . 4.66 638 412 A 39 CYS H A 39 CYS HBx 1.0 . 2.99 639 412 A 39 CYS H A 39 CYS HBy 1.0 . 2.99 640 413 A 40 VAL H A 39 CYS HBx 1.0 . 4.18 641 413 A 40 VAL H A 39 CYS HBy 1.0 . 4.18 642 414 A 40 VAL HA A 39 CYS HBx 1.0 . 5.34 643 414 A 40 VAL HA A 39 CYS HBy 1.0 . 5.34 644 415 A 40 VAL H A 40 VAL HGy% 1.0 . 3.46 645 415 A 40 VAL H A 40 VAL HGx% 1.0 . 3.46 646 416 A 40 VAL HA A 40 VAL HGy% 1.0 . 2.94 647 416 A 40 VAL HA A 40 VAL HGx% 1.0 . 2.94 648 417 A 40 VAL HA A 41 CYS HBx 1.0 . 4.76 649 417 A 40 VAL HA A 41 CYS HBy 1.0 . 4.76 650 418 A 41 CYS H A 40 VAL HGy% 1.0 . 3.59 651 418 A 41 CYS H A 40 VAL HGx% 1.0 . 3.59 652 419 A 42 ARG H A 40 VAL HGy% 1.0 . 4.96 653 419 A 42 ARG H A 40 VAL HGx% 1.0 . 4.96 654 420 A 41 CYS H A 41 CYS HBx 1.0 . 3.15 655 420 A 41 CYS H A 41 CYS HBy 1.0 . 3.15 656 421 A 42 ARG H A 41 CYS HBx 1.0 . 3.36 657 421 A 42 ARG H A 41 CYS HBy 1.0 . 3.36 658 422 A 42 ARG HA A 42 ARG HGy 1.0 . 3.57 659 422 A 42 ARG HA A 42 ARG HGx 1.0 . 3.57 660 423 A 43 ASN HBx A 43 ASN HD2x 1.0 . 3.20 661 423 A 43 ASN HBy A 43 ASN HD2x 1.0 . 3.20 662 423 A 43 ASN HD2y A 43 ASN HBy 1.0 . 3.20 663 423 A 43 ASN HBx A 43 ASN HD2y 1.0 . 3.20 stop_ save_