data_nef_c18897_4b1q 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 21 CYS SG 1 13 CYS SG 1 26 CYS SG 1 24 CYS SG 1 30 CYS SG 1 1 ALA C 1 2 HYP N 1 2 HYP C 1 3 TRP N 1 7 SER OG . . . . 1 16 ASN C 1 17 HYP N 1 17 HYP C 1 18 GLY N 1 21 CYS C 1 22 HYP N 1 22 HYP C 1 23 SER 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 P 1 ALA start -OXT . 2 P 2 HYP middle -H,-OXT . 3 P 3 TRP middle -H2 . 4 P 4 LEU middle . . 5 P 5 VAL middle . . 6 P 6 PRO middle . false 7 P 7 SER middle . . 8 P 8 GLN middle . . 9 P 9 ILE middle . . 10 P 10 THR middle . . 11 P 11 THR middle . . 12 P 12 CYS middle -HG . 13 P 13 CYS middle -HG . 14 P 14 GLY middle . false 15 P 15 TYR middle . . 16 P 16 ASN middle -OXT . 17 P 17 HYP middle -H,-OXT . 18 P 18 GLY middle -H2 false 19 P 19 THR middle . . 20 P 20 MET middle . . 21 P 21 CYS middle -HG,-OXT . 22 P 22 HYP middle -H,-OXT . 23 P 23 SER middle -H2 . 24 P 24 CYS middle -HG . 25 P 25 MET middle . . 26 P 26 CYS middle -HG . 27 P 27 THR middle . . 28 P 28 ASN middle . . 29 P 29 THR middle . . 30 P 30 CYS end -HG . 31 A 1 A2G . . . 32 A 2 GAL . . . 33 A 3 GXL . . . 34 A 4 NDG . . . 35 A 5 GXL . . . 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 P 1 ALA HA H 1 4.358 . P 1 ALA HB% H 1 1.430 0.007 P 1 ALA CA C 13 50.640 . P 1 ALA CB C 13 17.385 . P 2 HYP HA H 1 4.599 . P 2 HYP HBy H 1 2.338 0.002 P 2 HYP HBx H 1 1.933 0.002 P 2 HYP HD22 H 1 3.668 . P 2 HYP HD23 H 1 3.668 . P 2 HYP HG H 1 4.568 . P 2 HYP CA C 13 61.534 . P 2 HYP CB C 13 39.630 0.055 P 2 HYP CD C 13 57.688 . P 2 HYP CG C 13 72.431 . P 3 TRP H H 1 8.395 0.001 P 3 TRP HA H 1 4.677 0.004 P 3 TRP HB2 H 1 3.263 0.002 P 3 TRP HB3 H 1 3.263 0.002 P 3 TRP HD1 H 1 7.246 0.002 P 3 TRP HE1 H 1 10.187 . P 3 TRP HE3 H 1 7.668 0.005 P 3 TRP HH2 H 1 7.245 . P 3 TRP HZ2 H 1 7.492 0.004 P 3 TRP HZ3 H 1 7.166 0.005 P 3 TRP CA C 13 56.848 . P 3 TRP CB C 13 29.315 . P 3 TRP CD1 C 13 126.864 . P 3 TRP CD2 C 13 129.435 . P 3 TRP CE2 C 13 138.759 . P 3 TRP CE3 C 13 120.908 . P 3 TRP CG C 13 111.038 . P 3 TRP CH2 C 13 124.611 . P 3 TRP CZ2 C 13 114.513 . P 3 TRP CZ3 C 13 122.039 . P 4 LEU H H 1 8.002 0.003 P 4 LEU HA H 1 4.301 0.004 P 4 LEU HB2 H 1 1.430 0.007 P 4 LEU HB3 H 1 1.430 0.007 P 4 LEU HDx% H 1 0.790 0.002 P 4 LEU HDy% H 1 0.842 . P 4 LEU HG H 1 1.429 0.01 P 4 LEU CA C 13 54.380 . P 4 LEU CB C 13 42.364 . P 4 LEU CD1 C 13 23.448 . P 4 LEU CD2 C 13 24.669 . P 4 LEU CG C 13 26.711 . P 5 VAL H H 1 7.957 0.004 P 5 VAL HA H 1 4.224 0.004 P 5 VAL HB H 1 1.982 0.004 P 5 VAL HGx% H 1 0.938 0.002 P 5 VAL HGy% H 1 0.869 0.002 P 5 VAL CA C 13 59.583 . P 5 VAL CB C 13 32.518 . P 5 VAL CG1 C 13 20.737 . P 5 VAL CG2 C 13 20.334 . P 6 PRO HA H 1 4.418 0.004 P 6 PRO HBy H 1 2.292 0.002 P 6 PRO HBx H 1 1.912 0.005 P 6 PRO HDy H 1 3.833 0.005 P 6 PRO HDx H 1 3.685 . P 6 PRO HGy H 1 2.021 0.024 P 6 PRO HGx H 1 1.989 0.003 P 6 PRO CA C 13 62.736 . P 6 PRO CB C 13 32.141 0.013 P 6 PRO CD C 13 50.905 0.007 P 6 PRO CG C 13 27.185 0.027 P 7 SER H H 1 8.582 0.001 P 7 SER HA H 1 4.512 0.003 P 7 SER HBy H 1 3.971 0.002 P 7 SER HBx H 1 3.750 0.004 P 7 SER CA C 13 57.064 . P 7 SER CB C 13 69.506 0.018 P 8 GLN H H 1 8.327 0.002 P 8 GLN HA H 1 4.416 0.005 P 8 GLN HBy H 1 2.061 0.003 P 8 GLN HBx H 1 1.933 0.002 P 8 GLN HE21 H 1 7.566 . P 8 GLN HE22 H 1 6.915 0.001 P 8 GLN HG2 H 1 2.320 0.002 P 8 GLN HG3 H 1 2.320 0.002 P 8 GLN CA C 13 55.238 . P 8 GLN CB C 13 30.105 0.018 P 8 GLN CG C 13 33.434 . P 9 ILE H H 1 8.362 0.001 P 9 ILE HA H 1 4.307 0.001 P 9 ILE HB H 1 1.838 0.001 P 9 ILE HD1% H 1 0.864 0.002 P 9 ILE HG1y H 1 1.529 0.002 P 9 ILE HG1x H 1 1.208 . P 9 ILE HG2% H 1 0.939 0.001 P 9 ILE CA C 13 60.688 . P 9 ILE CB C 13 38.910 . P 9 ILE CD1 C 13 12.926 . P 9 ILE CG1 C 13 27.491 0.014 P 9 ILE CG2 C 13 17.445 . P 10 THR H H 1 8.313 0.003 P 10 THR HA H 1 4.573 0.003 P 10 THR HB H 1 4.356 0.004 P 10 THR HG2% H 1 1.202 0.004 P 10 THR CA C 13 61.275 . P 10 THR CB C 13 70.172 . P 10 THR CG2 C 13 20.691 . P 11 THR H H 1 8.144 0.002 P 11 THR HA H 1 4.453 0.001 P 11 THR HB H 1 3.981 0.004 P 11 THR HG2% H 1 0.979 0.003 P 11 THR CA C 13 60.840 . P 11 THR CB C 13 71.831 . P 11 THR CG2 C 13 21.435 . P 12 CYS H H 1 8.486 0.001 P 12 CYS HA H 1 5.136 0.001 P 12 CYS HBy H 1 2.866 0.004 P 12 CYS HBx H 1 2.591 0.01 P 12 CYS CA C 13 53.896 . P 12 CYS CB C 13 39.051 0.004 P 13 CYS H H 1 9.263 . P 13 CYS HA H 1 4.357 0.005 P 13 CYS HBy H 1 3.448 0.008 P 13 CYS HBx H 1 3.101 0.003 P 13 CYS CA C 13 55.112 . P 13 CYS CB C 13 37.301 0.011 P 14 GLY H H 1 7.863 0.003 P 14 GLY HAy H 1 4.057 0.004 P 14 GLY HAx H 1 3.490 0.01 P 14 GLY CA C 13 44.650 0.025 P 15 TYR H H 1 7.742 0.003 P 15 TYR HA H 1 4.727 0.002 P 15 TYR HBy H 1 3.042 0.003 P 15 TYR HBx H 1 2.870 0.004 P 15 TYR HDx H 1 7.095 0.004 P 15 TYR HDy H 1 7.095 0.004 P 15 TYR HEx H 1 6.821 0.005 P 15 TYR HEy H 1 6.821 0.005 P 15 TYR CA C 13 56.649 . P 15 TYR CB C 13 40.684 0.003 P 15 TYR CDx C 13 133.483 . P 15 TYR CDy C 13 133.483 . P 15 TYR CEx C 13 117.912 . P 15 TYR CEy C 13 117.912 . P 15 TYR CG C 13 130.593 . P 16 ASN H H 1 9.080 0.001 P 16 ASN HA H 1 4.495 0.008 P 16 ASN HBy H 1 2.927 0.006 P 16 ASN HBx H 1 2.669 0.005 P 16 ASN HD21 H 1 7.675 . P 16 ASN HD22 H 1 6.981 0.001 P 16 ASN CA C 13 52.872 . P 16 ASN CB C 13 37.376 0.034 P 17 HYP HA H 1 4.793 . P 17 HYP HBy H 1 2.200 0.004 P 17 HYP HBx H 1 2.064 0.005 P 17 HYP HD2y H 1 3.829 0.024 P 17 HYP HD2x H 1 3.800 0.001 P 17 HYP HG H 1 4.626 0.006 P 17 HYP CA C 13 62.341 . P 17 HYP CB C 13 39.100 0.007 P 17 HYP CD C 13 57.689 . P 17 HYP CG C 13 72.221 . P 18 GLY H H 1 9.261 0.002 P 18 GLY HAy H 1 4.362 0.002 P 18 GLY HAx H 1 3.767 0.009 P 18 GLY CA C 13 44.683 0.008 P 19 THR H H 1 7.824 0.005 P 19 THR HA H 1 4.610 0.001 P 19 THR HB H 1 4.256 0.007 P 19 THR HG2% H 1 1.168 0.001 P 19 THR CA C 13 60.827 . P 19 THR CB C 13 71.300 . P 19 THR CG2 C 13 21.021 . P 20 MET H H 1 8.333 0.002 P 20 MET HA H 1 4.692 0.002 P 20 MET HB2 H 1 2.003 0.001 P 20 MET HB3 H 1 2.003 0.001 P 20 MET HE% H 1 2.072 0.002 P 20 MET HGy H 1 2.541 0.001 P 20 MET HGx H 1 2.493 0.003 P 20 MET CA C 13 54.607 . P 20 MET CB C 13 35.313 . P 20 MET CE C 13 16.765 . P 20 MET CG C 13 31.543 0.002 P 21 CYS H H 1 8.735 0.001 P 21 CYS HA H 1 5.042 0.001 P 21 CYS HBy H 1 3.800 . P 21 CYS HBx H 1 3.175 0.003 P 21 CYS CA C 13 53.653 . P 21 CYS CB C 13 46.949 0.015 P 22 HYP HA H 1 4.697 0.006 P 22 HYP HBy H 1 2.497 0.001 P 22 HYP HBx H 1 2.342 0.003 P 22 HYP HD2y H 1 3.865 0.001 P 22 HYP HD2x H 1 3.785 0.001 P 22 HYP HG H 1 4.699 0.005 P 22 HYP CA C 13 61.523 . P 22 HYP CB C 13 40.139 0.014 P 22 HYP CD C 13 58.179 0.007 P 22 HYP CG C 13 72.578 . P 23 SER H H 1 8.929 . P 23 SER HA H 1 4.311 0.003 P 23 SER HB2 H 1 3.956 0.007 P 23 SER HB3 H 1 3.956 0.007 P 23 SER CA C 13 61.334 . P 23 SER CB C 13 62.423 . P 24 CYS H H 1 8.610 0.001 P 24 CYS HA H 1 4.265 0.003 P 24 CYS HBy H 1 3.080 0.003 P 24 CYS HBx H 1 2.957 0.009 P 24 CYS CA C 13 57.164 . P 24 CYS CB C 13 39.715 0.003 P 25 MET H H 1 8.262 0.001 P 25 MET HA H 1 4.313 0.002 P 25 MET HBy H 1 2.284 0.001 P 25 MET HBx H 1 2.224 0.001 P 25 MET HE% H 1 2.143 . P 25 MET HGy H 1 2.737 . P 25 MET HGx H 1 2.662 0.002 P 25 MET CA C 13 58.267 . P 25 MET CB C 13 32.007 0.013 P 25 MET CE C 13 17.003 . P 25 MET CG C 13 33.096 0.035 P 26 CYS H H 1 7.970 0.002 P 26 CYS HA H 1 4.651 0.002 P 26 CYS HBy H 1 3.485 0.001 P 26 CYS HBx H 1 2.971 0.008 P 26 CYS CA C 13 54.868 . P 26 CYS CB C 13 35.656 0.013 P 27 THR H H 1 7.314 0.004 P 27 THR HA H 1 4.464 0.003 P 27 THR HB H 1 4.594 0.007 P 27 THR HG2% H 1 1.138 0.003 P 27 THR CA C 13 60.126 . P 27 THR CB C 13 68.848 . P 27 THR CG2 C 13 21.712 . P 28 ASN H H 1 7.818 0.001 P 28 ASN HA H 1 4.635 0.007 P 28 ASN HBy H 1 3.266 0.001 P 28 ASN HBx H 1 2.769 0.005 P 28 ASN HD21 H 1 7.630 . P 28 ASN HD22 H 1 6.870 . P 28 ASN CA C 13 54.236 . P 28 ASN CB C 13 36.936 0.008 P 29 THR H H 1 8.347 0.003 P 29 THR HA H 1 4.658 0.003 P 29 THR HB H 1 4.630 . P 29 THR HG2% H 1 1.152 . P 29 THR CA C 13 60.180 . P 29 THR CB C 13 68.591 . P 29 THR CG2 C 13 21.216 . P 30 CYS H H 1 8.317 0.003 P 30 CYS HA H 1 4.426 . P 30 CYS HBx H 1 2.902 0.001 P 30 CYS HBy H 1 3.238 0.001 P 30 CYS CA C 13 55.470 . P 30 CYS CB C 13 40.392 0.023 stop_ save_ save_assigned_chem_shift_list_1_2 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1_2 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 0 NDG H1 H 1 4.819 0.001 A 0 NDG H2 H 1 3.953 0.003 A 0 NDG H3 H 1 3.841 0.004 A 0 NDG H4 H 1 3.610 0.001 A 0 NDG H5 H 1 3.907 0.002 A 0 NDG H6C1 H 1 3.842 0.001 A 0 NDG H6C2 H 1 3.842 0.001 A 0 NDG H8C1 H 1 2.042 . A 0 NDG H8C2 H 1 2.042 . A 0 NDG H8C3 H 1 2.042 . A 0 NDG HA H 1 8.101 . A 0 NDG C1 C 13 99.152 . A 0 NDG C2 C 13 56.252 . A 0 NDG C3 C 13 72.537 . A 0 NDG C4 C 13 80.598 . A 0 NDG C5 C 13 62.515 . A 0 NDG C6 C 13 73.342 . A 1 A2G H% H 1 4.835 . A 1 A2G H14 H 1 3.533 . A 1 A2G H2 H 1 4.286 . A 1 A2G H3 H 1 4.238 . A 1 A2G H4 H 1 4.156 . A 1 A2G H5 H 1 4.066 . A 1 A2G H6x H 1 3.848 . A 1 A2G H6y H 1 3.848 . A 1 A2G H8% H 1 2.052 . A 1 A2G H8A H 1 2.052 . A 1 A2G H8B H 1 2.052 . A 1 A2G HN2 H 1 8.483 . A 1 A2G C1 C 13 100.875 . A 1 A2G C2 C 13 51.393 . A 1 A2G C3 C 13 75.605 . A 1 A2G C4 C 13 71.855 . A 1 A2G C5 C 13 71.278 . A 1 A2G C6 C 13 68.894 . A 2 GAL H1 H 1 4.603 0.001 A 2 GAL H2 H 1 3.724 0.003 A 2 GAL H3 H 1 3.789 0.002 A 2 GAL H4 H 1 3.818 . A 2 GAL H5 H 1 3.589 0.001 A 2 GAL H6x H 1 3.695 0.002 A 2 GAL H6y H 1 3.751 0.003 A 2 GAL C1 C 13 104.457 . A 2 GAL C2 C 13 77.573 . A 2 GAL C3 C 13 76.265 . A 2 GAL C4 C 13 71.700 . A 2 GAL C5 C 13 77.882 . A 2 GAL C6 C 13 63.675 0.013 A 3 GXL H% H 1 5.030 0.001 A 3 GXL H2 H 1 3.833 0.001 A 3 GXL H3 H 1 3.972 0.001 A 3 GXL H4 H 1 3.813 . A 3 GXL H5 H 1 4.212 0.001 A 3 GXL H6C1 H 1 3.674 . A 3 GXL H6C2 H 1 3.674 . A 3 GXL C1 C 13 102.326 . A 3 GXL C2 C 13 70.924 . A 3 GXL C3 C 13 71.588 . A 3 GXL C5 C 13 73.234 . A 3 GXL C6 C 13 63.005 . A 5 GXL H% H 1 5.340 0.001 A 5 GXL H2 H 1 3.789 0.003 A 5 GXL H3 H 1 3.676 0.002 A 5 GXL H4 H 1 3.859 0.002 A 5 GXL H5 H 1 4.240 0.001 A 5 GXL H6C1 H 1 3.771 0.004 A 5 GXL H6C2 H 1 3.681 0.001 A 5 GXL C1 C 13 101.240 . A 5 GXL C2 C 13 70.990 . A 5 GXL C3 C 13 71.840 . A 5 GXL C4 C 13 72.194 . A 5 GXL C5 C 13 72.918 . A 5 GXL C6 C 13 64.315 0.022 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 P 21 CYS HA P 22 HYP HBx 1.0 0.0 5.50 2 2 P 3 TRP HA P 3 TRP HE3 1.0 0.0 4.28 3 3 P 11 THR HB P 15 TYR HA 1.0 0.0 5.16 4 4 P 11 THR HB P 11 THR HA 1.0 0.0 2.82 5 5 P 9 ILE HA P 9 ILE HG1y 1.0 0.0 3.84 6 6 P 11 THR HA P 17 HYP HA 1.0 0.0 3.34 7 7 P 11 THR HB P 17 HYP HA 1.0 0.0 4.43 8 8 P 21 CYS HA P 20 MET HA 1.0 0.0 4.94 9 9 P 20 MET HA P 12 CYS HA 1.0 0.0 4.04 10 10 P 7 SER HA P 6 PRO HA 1.0 0.0 4.74 11 11 P 7 SER HA P 8 GLN HA 1.0 0.0 5.10 12 12 P 27 THR HA P 27 THR HB 1.0 0.0 2.53 13 13 P 27 THR HA P 26 CYS HA 1.0 0.0 4.71 14 14 P 27 THR HA P 28 ASN HA 1.0 0.0 5.40 15 15 P 11 THR HA P 20 MET HA 1.0 0.0 4.48 16 16 P 27 THR HA P 26 CYS HBx 1.0 0.0 4.81 17 17 P 20 MET HA P 12 CYS HBx 1.0 0.0 4.31 18 18 P 19 THR HA P 19 THR HB 1.0 0.0 2.91 19 19 P 20 MET HA P 12 CYS HBy 1.0 0.0 4.79 20 20 P 10 THR HB P 20 MET HGy 1.0 0.0 5.12 21 21 P 10 THR HB P 20 MET HGx 1.0 0.0 5.12 22 22 P 16 ASN HA P 17 HYP HBx 1.0 0.0 4.98 23 23 P 7 SER HA P 8 GLN HBx 1.0 0.0 5.31 24 24 P 22 HYP HBy P 25 MET HGx 1.0 0.0 4.98 25 25 P 9 ILE HA P 9 ILE HG1x 1.0 0.0 3.84 26 26 P 5 VAL HA P 6 PRO HDy 1.0 0.0 2.88 27 27 P 12 CYS HBx P 19 THR HB 1.0 0.0 4.83 28 28 P 20 MET HA P 10 THR HB 1.0 0.0 4.25 29 29 P 3 TRP HA P 4 LEU HA 1.0 0.0 5.16 30 30 P 20 MET HA P 19 THR HB 1.0 0.0 5.05 31 31 P 24 CYS HA P 30 CYS HA 1.0 0.0 4.33 32 32 P 11 THR HA P 10 THR HB 1.0 0.0 4.46 33 33 P 7 SER HBx P 8 GLN HA 1.0 0.0 4.95 34 34 P 26 CYS HBx P 13 CYS HA 1.0 0.0 4.37 35 35 P 11 THR HB P 14 GLY HAy 1.0 0.0 4.48 36 36 P 6 PRO HGy P 9 ILE HB 1.0 0.0 4.60 37 37 P 10 THR HB P 20 MET HB2 1.0 0.0 4.89 38 38 P 10 THR HB P 20 MET HB3 1.0 0.0 4.89 39 39 P 11 THR HA P 17 HYP HBy 1.0 0.0 5.50 40 40 P 19 THR HB P 12 CYS HBy 1.0 0.0 4.88 41 41 P 19 THR HB P 16 ASN HBy 1.0 0.0 5.17 42 42 P 27 THR HA P 26 CYS HBy 1.0 0.0 4.85 43 43 P 19 THR HA P 18 GLY HAx 1.0 0.0 5.37 44 44 P 24 CYS HA P 29 THR HA 1.0 0.0 4.89 45 45 P 28 ASN HA P 25 MET HA 1.0 0.0 4.22 46 46 P 28 ASN HA P 24 CYS HA 1.0 0.0 4.33 47 47 P 9 ILE HA P 10 THR HA 1.0 0.0 4.46 48 48 P 7 SER HBy P 8 GLN HA 1.0 0.0 5.32 49 49 P 22 HYP HA P 23 SER HA 1.0 0.0 5.50 50 50 P 16 ASN HA P 17 HYP HBy 1.0 0.0 5.46 51 51 P 11 THR HA P 17 HYP HBx 1.0 0.0 5.50 52 52 P 26 CYS HBy P 23 SER HA 1.0 0.0 4.49 53 53 P 28 ASN HA P 28 ASN H 1.0 0.0 2.73 54 54 P 2 HYP HA P 3 TRP H 1.0 0.0 2.88 55 55 P 19 THR HA P 20 MET H 1.0 0.0 2.78 56 56 P 19 THR HA P 12 CYS H 1.0 0.0 5.50 57 57 P 10 THR HA P 11 THR H 1.0 0.0 2.67 58 58 P 16 ASN HA P 16 ASN HD21 1.0 0.0 4.92 59 59 P 16 ASN HA P 16 ASN HD22 1.0 0.0 4.92 60 60 P 27 THR HA P 26 CYS H 1.0 0.0 5.05 61 61 P 11 THR HA P 13 CYS H 1.0 0.0 5.50 62 62 P 11 THR HA P 18 GLY H 1.0 0.0 5.50 63 63 P 11 THR HA P 12 CYS H 1.0 0.0 2.91 64 64 P 11 THR HA P 14 GLY H 1.0 0.0 4.84 65 65 P 27 THR HA P 28 ASN H 1.0 0.0 3.47 66 66 P 11 THR HA P 15 TYR H 1.0 0.0 4.74 67 67 P 6 PRO HA P 7 SER H 1.0 0.0 2.71 68 68 P 8 GLN HA P 9 ILE H 1.0 0.0 2.72 69 69 P 13 CYS HA P 14 GLY H 1.0 0.0 3.42 70 70 P 18 GLY HAx P 19 THR H 1.0 0.0 3.55 71 71 P 13 CYS HA P 15 TYR H 1.0 0.0 4.94 72 72 P 10 THR HB P 12 CYS H 1.0 0.0 5.50 73 73 P 9 ILE HA P 10 THR H 1.0 0.0 2.62 74 74 P 4 LEU HA P 5 VAL H 1.0 0.0 2.80 75 75 P 4 LEU HA P 3 TRP HD1 1.0 0.0 5.38 76 76 P 19 THR HB P 20 MET H 1.0 0.0 2.90 77 77 P 19 THR HB P 19 THR H 1.0 0.0 3.95 78 78 P 5 VAL HA P 3 TRP HD1 1.0 0.0 5.32 79 79 P 11 THR HB P 13 CYS H 1.0 0.0 5.00 80 80 P 11 THR HB P 14 GLY H 1.0 0.0 3.76 81 81 P 11 THR HB P 15 TYR H 1.0 0.0 3.44 82 82 P 7 SER HBx P 7 SER H 1.0 0.0 3.66 83 83 P 7 SER HBx P 8 GLN H 1.0 0.0 3.75 84 84 P 3 TRP HZ2 P 6 PRO HDx 1.0 0.0 5.50 85 85 P 7 SER HBy P 7 SER H 1.0 0.0 3.35 86 86 P 7 SER HBy P 8 GLN H 1.0 0.0 3.57 87 87 P 6 PRO HDy P 5 VAL H 1.0 0.0 4.92 88 88 P 6 PRO HDy P 7 SER H 1.0 0.0 5.47 89 89 P 26 CYS HBx P 27 THR H 1.0 0.0 4.07 90 90 P 13 CYS H P 13 CYS HBy 1.0 0.0 4.14 91 91 P 21 CYS H P 21 CYS HBx 1.0 0.0 4.12 92 92 P 13 CYS H P 13 CYS HBx 1.0 0.0 4.14 93 93 P 14 GLY H P 13 CYS HBx 1.0 0.0 4.65 94 94 P 23 SER H P 24 CYS HBy 1.0 0.0 5.50 95 95 P 24 CYS H P 24 CYS HBy 1.0 0.0 3.61 96 96 P 25 MET H P 24 CYS HBy 1.0 0.0 4.66 97 97 P 15 TYR HBx P 16 ASN H 1.0 0.0 3.65 98 98 P 15 TYR H P 15 TYR HBx 1.0 0.0 3.65 99 99 P 16 ASN HD22 P 15 TYR HBx 1.0 0.0 4.86 100 100 P 16 ASN HD21 P 15 TYR HBx 1.0 0.0 4.86 101 101 P 26 CYS HBy P 26 CYS H 1.0 0.0 3.31 102 102 P 26 CYS HBy P 28 ASN H 1.0 0.0 4.80 103 103 P 26 CYS HBy P 27 THR H 1.0 0.0 3.72 104 104 P 25 MET H P 24 CYS HBx 1.0 0.0 4.66 105 105 P 26 CYS HBy P 25 MET H 1.0 0.0 5.11 106 106 P 24 CYS H P 24 CYS HBx 1.0 0.0 3.61 107 107 P 30 CYS H P 30 CYS HBx 1.0 0.0 3.65 108 108 P 16 ASN HBy P 19 THR H 1.0 0.0 5.24 109 109 P 16 ASN HBy P 16 ASN HD21 1.0 0.0 3.71 110 110 P 16 ASN HBy P 16 ASN HD22 1.0 0.0 3.71 111 111 P 16 ASN HBy P 18 GLY H 1.0 0.0 4.54 112 112 P 16 ASN HBy P 16 ASN H 1.0 0.0 3.90 113 113 P 12 CYS HBy P 21 CYS H 1.0 0.0 4.99 114 114 P 12 CYS HBy P 12 CYS H 1.0 0.0 3.49 115 115 P 12 CYS H P 15 TYR HBy 1.0 0.0 3.94 116 116 P 14 GLY H P 15 TYR HBy 1.0 0.0 5.14 117 117 P 15 TYR H P 15 TYR HBy 1.0 0.0 3.32 118 118 P 25 MET H P 25 MET HGy 1.0 0.0 4.02 119 119 P 26 CYS H P 25 MET HGy 1.0 0.0 5.50 120 120 P 19 THR H P 16 ASN HBx 1.0 0.0 5.20 121 121 P 26 CYS H P 25 MET HGx 1.0 0.0 5.50 122 122 P 12 CYS HBx P 12 CYS H 1.0 0.0 3.59 123 123 P 12 CYS HBx P 20 MET H 1.0 0.0 4.88 124 124 P 12 CYS HBx P 15 TYR H 1.0 0.0 5.28 125 125 P 21 CYS H P 20 MET HGy 1.0 0.0 4.58 126 126 P 22 HYP HBx P 23 SER H 1.0 0.0 3.75 127 127 P 22 HYP HBx P 24 CYS H 1.0 0.0 4.18 128 128 P 22 HYP HBx P 25 MET H 1.0 0.0 5.19 129 129 P 22 HYP HBy P 23 SER H 1.0 0.0 4.02 130 130 P 22 HYP HBy P 24 CYS H 1.0 0.0 3.94 131 131 P 22 HYP HBy P 25 MET H 1.0 0.0 4.02 132 132 P 3 TRP H P 2 HYP HBy 1.0 0.0 4.47 133 133 P 8 GLN H P 8 GLN HG2 1.0 0.0 4.21 134 134 P 8 GLN H P 8 GLN HG3 1.0 0.0 4.21 135 135 P 7 SER H P 6 PRO HBy 1.0 0.0 3.83 136 136 P 25 MET H P 25 MET HBy 1.0 0.0 3.67 137 137 P 26 CYS H P 25 MET HBy 1.0 0.0 4.25 138 138 P 17 HYP HBy P 19 THR H 1.0 0.0 5.10 139 139 P 17 HYP HBx P 19 THR H 1.0 0.0 5.47 140 140 P 8 GLN H P 8 GLN HBy 1.0 0.0 3.65 141 141 P 8 GLN HBy P 8 GLN HE22 1.0 0.0 5.50 142 142 P 6 PRO HGy P 7 SER H 1.0 0.0 4.22 143 143 P 8 GLN HBy P 8 GLN HE21 1.0 0.0 5.50 144 144 P 3 TRP HD1 P 5 VAL HB 1.0 0.0 5.14 145 145 P 3 TRP H P 2 HYP HBx 1.0 0.0 4.47 146 146 P 8 GLN HBx P 8 GLN H 1.0 0.0 3.26 147 147 P 7 SER H P 6 PRO HBx 1.0 0.0 3.83 148 148 P 9 ILE HB P 9 ILE H 1.0 0.0 3.17 149 149 P 9 ILE HB P 10 THR H 1.0 0.0 3.65 150 150 P 9 ILE H P 9 ILE HG1y 1.0 0.0 3.70 151 151 P 9 ILE H P 9 ILE HG1x 1.0 0.0 3.70 152 152 P 12 CYS HA P 13 CYS H 1.0 0.0 3.01 153 153 P 12 CYS HA P 21 CYS H 1.0 0.0 3.94 154 154 P 12 CYS HA P 14 GLY H 1.0 0.0 4.78 155 155 P 21 CYS HA P 20 MET H 1.0 0.0 5.50 156 156 P 17 HYP HA P 12 CYS H 1.0 0.0 4.76 157 157 P 17 HYP HA P 19 THR H 1.0 0.0 3.89 158 158 P 15 TYR HA P 16 ASN H 1.0 0.0 3.37 159 159 P 22 HYP HA P 23 SER H 1.0 0.0 2.70 160 160 P 22 HYP HA P 24 CYS H 1.0 0.0 4.53 161 161 P 20 MET HA P 21 CYS H 1.0 0.0 2.77 162 162 P 3 TRP HA P 4 LEU H 1.0 0.0 2.88 163 163 P 3 TRP HA P 3 TRP HD1 1.0 0.0 4.20 164 164 P 28 ASN HA P 29 THR H 1.0 0.0 3.22 165 165 P 27 THR H P 29 THR H 1.0 0.0 4.18 166 166 P 3 TRP H P 3 TRP HD1 1.0 0.0 5.05 167 167 P 25 MET H P 27 THR H 1.0 0.0 4.65 168 168 P 26 CYS H P 27 THR H 1.0 0.0 3.18 169 169 P 28 ASN H P 27 THR H 1.0 0.0 2.97 170 170 P 12 CYS H P 13 CYS H 1.0 0.0 4.36 171 171 P 13 CYS H P 14 GLY H 1.0 0.0 3.76 172 172 P 18 GLY H P 19 THR H 1.0 0.0 3.29 173 173 P 13 CYS H P 15 TYR H 1.0 0.0 4.94 174 174 P 15 TYR H P 16 ASN H 1.0 0.0 4.67 175 175 P 21 CYS H P 20 MET HGx 1.0 0.0 4.58 176 176 P 3 TRP HE3 P 3 TRP H 1.0 0.0 5.00 177 177 P 3 TRP H P 4 LEU H 1.0 0.0 4.71 178 178 P 12 CYS H P 15 TYR H 1.0 0.0 4.04 179 179 P 26 CYS H P 24 CYS H 1.0 0.0 4.82 180 180 P 12 CYS H P 14 GLY H 1.0 0.0 4.70 181 181 P 12 CYS H P 11 THR H 1.0 0.0 4.49 182 182 P 7 SER HBy P 9 ILE H 1.0 0.0 5.50 183 183 P 14 GLY H P 13 CYS HBy 1.0 0.0 4.65 184 184 P 15 TYR H P 13 CYS HBy 1.0 0.0 5.03 185 185 P 25 MET H P 24 CYS H 1.0 0.0 3.46 186 186 P 25 MET H P 23 SER H 1.0 0.0 4.82 187 187 P 23 SER H P 24 CYS H 1.0 0.0 3.37 188 188 P 20 MET H P 21 CYS H 1.0 0.0 4.39 189 189 P 20 MET H P 19 THR H 1.0 0.0 4.64 190 190 P 14 GLY H P 15 TYR H 1.0 0.0 3.44 191 191 P 26 CYS H P 25 MET H 1.0 0.0 3.21 192 192 P 28 ASN H P 29 THR H 1.0 0.0 3.41 193 193 P 16 ASN HD22 P 16 ASN H 1.0 0.0 5.31 194 194 P 11 THR H P 13 CYS H 1.0 0.0 5.23 195 195 P 13 CYS H P 21 CYS H 1.0 0.0 5.23 196 196 P 5 VAL HB P 3 TRP HE1 1.0 0.0 5.50 197 197 P 3 TRP HE1 P 6 PRO HGx 1.0 0.0 5.50 198 198 P 6 PRO HDx P 3 TRP HE1 1.0 0.0 5.50 199 199 P 5 VAL HA P 3 TRP HE1 1.0 0.0 5.50 200 200 P 12 CYS HA P 15 TYR H 1.0 0.0 5.50 201 201 P 3 TRP HD1 P 6 PRO HDx 1.0 0.0 5.20 202 202 P 23 SER HA P 27 THR H 1.0 0.0 4.34 203 203 P 24 CYS HA P 27 THR H 1.0 0.0 4.04 204 204 P 15 TYR H P 13 CYS HBx 1.0 0.0 5.03 205 205 P 14 GLY HAy P 12 CYS H 1.0 0.0 5.50 206 206 P 12 CYS H P 19 THR H 1.0 0.0 5.00 207 207 P 12 CYS H P 15 TYR HBx 1.0 0.0 5.39 208 208 P 12 CYS HBy P 20 MET H 1.0 0.0 4.09 209 209 P 21 CYS HA P 22 HYP HBy 1.0 0.0 5.50 210 210 P 21 CYS HA P 12 CYS HBy 1.0 0.0 5.50 211 211 P 21 CYS HA P 25 MET HGy 1.0 0.0 5.50 212 212 P 21 CYS HA P 25 MET HGx 1.0 0.0 5.50 213 213 P 3 TRP HD1 P 4 LEU H 1.0 0.0 4.77 214 214 P 5 VAL H P 3 TRP HD1 1.0 0.0 4.93 215 215 P 3 TRP HE3 P 4 LEU H 1.0 0.0 5.50 216 216 P 26 CYS H P 23 SER H 1.0 0.0 5.50 217 217 P 16 ASN HD21 P 16 ASN H 1.0 0.0 5.31 218 218 P 6 PRO HDy P 3 TRP HD1 1.0 0.0 5.43 219 219 P 23 SER H P 24 CYS HBx 1.0 0.0 5.50 220 220 P 26 CYS HBy P 23 SER H 1.0 0.0 5.50 221 221 P 26 CYS HA P 25 MET H 1.0 0.0 5.50 222 222 P 28 ASN HA P 25 MET H 1.0 0.0 5.50 223 223 P 8 GLN HA P 9 ILE HG1x 1.0 0.0 4.88 224 224 P 5 VAL HA P 6 PRO HGy 1.0 0.0 4.60 225 225 P 6 PRO HDy P 5 VAL HB 1.0 0.0 3.69 226 226 P 25 MET HA P 25 MET HGy 1.0 0.0 3.91 227 227 P 25 MET HA P 25 MET HGx 1.0 0.0 3.91 228 228 P 12 CYS HBx P 15 TYR HBy 1.0 0.0 3.40 229 229 P 22 HYP HBy P 25 MET HGy 1.0 0.0 4.98 230 230 P 5 VAL HA P 6 PRO HDx 1.0 0.0 2.87 231 231 P 11 THR HB P 15 TYR HBx 1.0 0.0 5.28 232 232 P 7 SER HBx P 8 GLN HG2 1.0 0.0 5.50 233 233 P 7 SER HBx P 8 GLN HG3 1.0 0.0 5.50 234 234 P 11 THR HB P 15 TYR HBy 1.0 0.0 4.53 235 235 P 8 GLN HA P 9 ILE HB 1.0 0.0 5.14 236 236 P 8 GLN HA P 9 ILE HG1y 1.0 0.0 4.88 237 237 P 12 CYS HBy P 13 CYS H 1.0 0.0 4.86 238 238 P 12 CYS HBx P 13 CYS H 1.0 0.0 4.67 239 239 P 21 CYS H P 21 CYS HBy 1.0 0.0 4.12 240 240 P 12 CYS HBx P 21 CYS H 1.0 0.0 4.99 241 241 P 25 MET H P 25 MET HGx 1.0 0.0 4.02 242 242 P 25 MET H P 25 MET HBx 1.0 0.0 3.67 243 243 P 26 CYS H P 25 MET HBx 1.0 0.0 4.25 244 244 P 7 SER H P 6 PRO HGx 1.0 0.0 4.93 245 245 P 8 GLN HBx P 9 ILE H 1.0 0.0 4.55 246 246 P 9 ILE H P 8 GLN HBy 1.0 0.0 4.09 247 247 P 16 ASN H P 15 TYR HBy 1.0 0.0 4.07 248 248 P 24 CYS HA P 29 THR H 1.0 0.0 3.47 249 249 P 10 THR HB P 10 THR H 1.0 0.0 3.77 250 250 P 10 THR HB P 11 THR H 1.0 0.0 3.55 251 251 P 24 CYS HA P 28 ASN H 1.0 0.0 4.62 252 252 P 25 MET HA P 28 ASN H 1.0 0.0 4.11 253 253 P 20 MET HA P 11 THR H 1.0 0.0 5.20 254 254 P 7 SER HA P 8 GLN H 1.0 0.0 2.98 255 255 P 29 THR HA P 30 CYS H 1.0 0.0 3.12 256 256 P 26 CYS HBx P 26 CYS H 1.0 0.0 3.70 257 257 P 11 THR HB P 12 CYS H 1.0 0.0 3.26 258 258 P 30 CYS H P 30 CYS HBy 1.0 0.0 3.65 259 259 P 5 VAL H P 5 VAL HB 1.0 0.0 3.71 260 260 P 11 THR H P 10 THR H 1.0 0.0 4.60 261 261 P 7 SER H P 8 GLN H 1.0 0.0 4.47 262 262 P 7 SER H P 6 PRO HDx 1.0 0.0 5.50 263 263 P 5 VAL H P 6 PRO HDx 1.0 0.0 5.22 264 264 P 11 THR HA P 9 ILE HG2% 1.0 0.0 4.82 265 265 P 6 PRO HDx P 5 VAL HGx% 1.0 0.0 4.45 266 266 P 14 GLY HAy P 11 THR HG2% 1.0 0.0 4.16 267 267 P 10 THR HG2% P 20 MET HB2 1.0 0.0 5.50 268 268 P 16 ASN HBx P 19 THR HG2% 1.0 0.0 3.99 269 269 P 12 CYS HBx P 19 THR HG2% 1.0 0.0 4.82 270 270 P 10 THR HG2% P 20 MET HB3 1.0 0.0 5.50 271 271 P 8 GLN HA P 8 GLN HG3 1.0 0.0 3.47 272 271 P 8 GLN HA P 8 GLN HG2 1.0 0.0 3.47 273 272 P 25 MET HA P 25 MET HE% 1.0 0.0 4.27 274 273 P 9 ILE HA P 9 ILE HG2% 1.0 0.0 3.03 275 274 P 5 VAL HA P 5 VAL HGy% 1.0 0.0 3.28 276 275 P 5 VAL HA P 5 VAL HGx% 1.0 0.0 3.28 277 276 P 4 LEU HA P 4 LEU HDx% 1.0 0.0 4.07 278 277 P 11 THR HA P 11 THR HG2% 1.0 0.0 2.87 279 278 P 27 THR HA P 27 THR HG2% 1.0 0.0 2.46 280 279 P 10 THR HA P 10 THR HG2% 1.0 0.0 2.78 281 280 P 10 THR HA P 11 THR HG2% 1.0 0.0 4.21 282 281 P 15 TYR HA P 11 THR HG2% 1.0 0.0 4.85 283 282 P 17 HYP HA P 11 THR HG2% 1.0 0.0 3.31 284 283 P 17 HYP HA P 9 ILE HG2% 1.0 0.0 4.06 285 284 P 21 CYS HA P 25 MET HE% 1.0 0.0 4.55 286 285 P 20 MET HA P 20 MET HE% 1.0 0.0 4.57 287 286 P 9 ILE HG2% P 9 ILE HG1x 1.0 0.0 3.43 288 287 P 19 THR HG2% P 18 GLY HAy 1.0 0.0 4.71 289 288 P 11 THR HG2% P 14 GLY HAx 1.0 0.0 4.99 290 289 P 7 SER HA P 8 GLN HG3 1.0 0.0 4.92 291 289 P 7 SER HA P 8 GLN HG2 1.0 0.0 4.92 292 290 P 23 SER HA P 23 SER HB2 1.0 0.0 2.62 293 290 P 23 SER HA P 23 SER HB3 1.0 0.0 2.62 294 291 P 22 HYP HA P 23 SER HB2 1.0 0.0 4.90 295 291 P 22 HYP HA P 23 SER HB3 1.0 0.0 4.90 296 292 P 18 GLY HAx P 19 THR HG2% 1.0 0.0 4.21 297 293 P 29 THR HA P 29 THR HG2% 1.0 0.0 2.51 298 294 P 19 THR HA P 19 THR HG2% 1.0 0.0 2.79 299 295 P 20 MET HA P 19 THR HG2% 1.0 0.0 5.50 300 296 P 10 THR HB P 20 MET HE% 1.0 0.0 4.55 301 297 P 9 ILE HG2% P 9 ILE HD1% 1.0 0.0 2.85 302 298 P 10 THR HB P 11 THR HG2% 1.0 0.0 5.33 303 299 P 10 THR HB P 9 ILE HG2% 1.0 0.0 4.91 304 300 P 18 GLY HAx P 9 ILE HG2% 1.0 0.0 5.50 305 301 P 18 GLY HAx P 9 ILE HD1% 1.0 0.0 5.50 306 302 P 24 CYS HA P 23 SER HB2 1.0 0.0 4.31 307 302 P 24 CYS HA P 23 SER HB3 1.0 0.0 4.31 308 303 P 16 ASN HA P 15 TYR HD% 1.0 0.0 5.19 309 304 P 14 GLY HAx P 15 TYR HD% 1.0 0.0 4.90 310 305 P 25 MET H P 23 SER HB2 1.0 0.0 4.99 311 305 P 25 MET H P 23 SER HB3 1.0 0.0 4.99 312 306 P 26 CYS H P 23 SER HB2 1.0 0.0 5.27 313 306 P 26 CYS H P 23 SER HB3 1.0 0.0 5.27 314 307 P 15 TYR HD% P 13 CYS HBy 1.0 0.0 4.41 315 308 P 3 TRP H P 3 TRP HB2 1.0 0.0 3.16 316 308 P 3 TRP H P 3 TRP HB3 1.0 0.0 3.16 317 309 P 4 LEU H P 3 TRP HB2 1.0 0.0 3.90 318 309 P 4 LEU H P 3 TRP HB3 1.0 0.0 3.90 319 310 P 5 VAL H P 3 TRP HB2 1.0 0.0 5.21 320 310 P 5 VAL H P 3 TRP HB3 1.0 0.0 5.21 321 311 P 3 TRP HE3 P 3 TRP HB2 1.0 0.0 3.63 322 311 P 3 TRP HE3 P 3 TRP HB3 1.0 0.0 3.63 323 312 P 16 ASN HBx P 15 TYR HD% 1.0 0.0 5.50 324 313 P 21 CYS H P 20 MET HB3 1.0 0.0 3.64 325 313 P 21 CYS H P 20 MET HB2 1.0 0.0 3.64 326 314 P 20 MET H P 20 MET HB3 1.0 0.0 3.52 327 314 P 20 MET H P 20 MET HB2 1.0 0.0 3.52 328 315 P 4 LEU H P 4 LEU HB2 1.0 0.0 3.21 329 315 P 4 LEU H P 4 LEU HB3 1.0 0.0 3.21 330 316 P 3 TRP HD1 P 4 LEU HB2 1.0 0.0 5.38 331 316 P 3 TRP HD1 P 4 LEU HB3 1.0 0.0 5.38 332 317 P 5 VAL H P 4 LEU HB2 1.0 0.0 3.89 333 317 P 5 VAL H P 4 LEU HB3 1.0 0.0 3.89 334 318 P 13 CYS H P 10 THR HG2% 1.0 0.0 5.02 335 319 P 12 CYS H P 10 THR HG2% 1.0 0.0 5.47 336 320 P 10 THR H P 10 THR HG2% 1.0 0.0 3.94 337 321 P 11 THR H P 10 THR HG2% 1.0 0.0 3.63 338 322 P 20 MET H P 19 THR HG2% 1.0 0.0 4.15 339 323 P 19 THR H P 19 THR HG2% 1.0 0.0 3.37 340 324 P 29 THR H P 29 THR HG2% 1.0 0.0 3.60 341 325 P 27 THR H P 27 THR HG2% 1.0 0.0 3.53 342 326 P 12 CYS H P 11 THR HG2% 1.0 0.0 3.77 343 327 P 11 THR H P 11 THR HG2% 1.0 0.0 3.73 344 328 P 14 GLY H P 11 THR HG2% 1.0 0.0 4.26 345 329 P 15 TYR H P 11 THR HG2% 1.0 0.0 4.47 346 330 P 5 VAL H P 5 VAL HGx% 1.0 0.0 4.03 347 331 P 9 ILE H P 9 ILE HG2% 1.0 0.0 4.11 348 332 P 10 THR H P 9 ILE HG2% 1.0 0.0 3.50 349 333 P 11 THR H P 9 ILE HG2% 1.0 0.0 5.31 350 334 P 5 VAL H P 5 VAL HGy% 1.0 0.0 4.03 351 335 P 9 ILE H P 9 ILE HD1% 1.0 0.0 4.22 352 336 P 10 THR H P 9 ILE HD1% 1.0 0.0 4.83 353 337 P 15 TYR HA P 15 TYR HD% 1.0 0.0 3.28 354 338 P 15 TYR HA P 15 TYR HE% 1.0 0.0 4.74 355 339 P 13 CYS H P 15 TYR HD% 1.0 0.0 5.50 356 340 P 16 ASN H P 15 TYR HD% 1.0 0.0 4.24 357 341 P 14 GLY H P 15 TYR HD% 1.0 0.0 5.01 358 342 P 15 TYR H P 15 TYR HD% 1.0 0.0 3.52 359 343 P 29 THR H P 23 SER HB2 1.0 0.0 5.50 360 343 P 29 THR H P 23 SER HB3 1.0 0.0 5.50 361 344 P 15 TYR HD% P 13 CYS HBx 1.0 0.0 4.41 362 345 P 18 GLY H P 9 ILE HD1% 1.0 0.0 5.13 363 346 P 7 SER HBy P 9 ILE HD1% 1.0 0.0 4.62 364 347 P 18 GLY HAy P 9 ILE HD1% 1.0 0.0 5.26 365 348 P 6 PRO HDy P 5 VAL HGy% 1.0 0.0 4.09 366 349 P 17 HYP HBx P 9 ILE HD1% 1.0 0.0 4.57 367 350 P 17 HYP HBy P 9 ILE HG2% 1.0 0.0 3.66 368 351 P 17 HYP HBy P 9 ILE HD1% 1.0 0.0 4.59 369 352 P 17 HYP HBy P 11 THR HG2% 1.0 0.0 4.10 370 353 P 6 PRO HDy P 5 VAL HGx% 1.0 0.0 4.09 371 354 P 9 ILE HG2% P 18 GLY HAy 1.0 0.0 4.18 372 355 P 6 PRO HA P 9 ILE HD1% 1.0 0.0 4.61 373 356 P 9 ILE HB P 9 ILE HD1% 1.0 0.0 3.46 374 357 P 3 TRP HB3 P 5 VAL HGx% 1.0 0.0 5.50 375 357 P 5 VAL HGx% P 3 TRP HB2 1.0 0.0 5.50 376 358 P 3 TRP HB3 P 5 VAL HGy% 1.0 0.0 5.50 377 358 P 3 TRP HB2 P 5 VAL HGy% 1.0 0.0 5.50 378 359 P 18 GLY H P 11 THR HG2% 1.0 0.0 4.70 379 360 P 10 THR H P 11 THR HG2% 1.0 0.0 5.02 380 361 P 10 THR HG2% P 20 MET HGy 1.0 0.0 4.24 381 362 P 10 THR HG2% P 20 MET HGx 1.0 0.0 4.24 382 363 P 9 ILE HG2% P 9 ILE HG1y 1.0 0.0 3.43 383 364 P 6 PRO HGy P 9 ILE HD1% 1.0 0.0 3.75 384 365 P 10 THR HG2% P 20 MET HE% 1.0 0.0 3.79 385 366 P 10 THR HG2% P 20 MET HB3 1.0 0.0 5.26 386 366 P 10 THR HG2% P 20 MET HB2 1.0 0.0 5.26 387 367 P 11 THR HA P 10 THR HG2% 1.0 0.0 4.38 388 368 P 20 MET HA P 10 THR HG2% 1.0 0.0 4.24 389 369 P 26 CYS HBy P 27 THR HG2% 1.0 0.0 3.73 390 370 P 16 ASN HBy P 19 THR HG2% 1.0 0.0 3.76 391 371 P 25 MET HE% P 25 MET HGy 1.0 0.0 3.82 392 372 P 25 MET HE% P 25 MET HGx 1.0 0.0 3.82 393 373 P 26 CYS HBx P 27 THR HG2% 1.0 0.0 4.00 394 374 P 27 THR HG2% P 23 SER HB2 1.0 0.0 5.04 395 374 P 27 THR HG2% P 23 SER HB3 1.0 0.0 5.04 396 375 P 7 SER HBx P 9 ILE HD1% 1.0 0.0 5.36 397 376 P 10 THR HA P 9 ILE HG2% 1.0 0.0 4.38 398 377 P 16 ASN HA P 11 THR HG2% 1.0 0.0 4.85 399 378 P 4 LEU HA P 4 LEU HDy% 1.0 0.0 4.07 400 379 P 6 PRO HDx P 5 VAL HGy% 1.0 0.0 4.45 401 380 P 17 HYP HBx P 9 ILE HG2% 1.0 0.0 3.69 402 381 P 17 HYP HBx P 11 THR HG2% 1.0 0.0 4.31 403 382 P 4 LEU HB3 P 4 LEU HDx% 1.0 0.0 3.89 404 382 P 4 LEU HB2 P 4 LEU HDx% 1.0 0.0 3.89 405 383 P 4 LEU HDy% P 4 LEU HB2 1.0 0.0 3.89 406 383 P 4 LEU HB3 P 4 LEU HDy% 1.0 0.0 3.89 407 384 P 23 SER HB3 P 24 CYS HBx 1.0 0.0 5.38 408 384 P 24 CYS HBx P 23 SER HB2 1.0 0.0 5.38 409 385 P 26 CYS HBy P 23 SER HB2 1.0 0.0 5.49 410 385 P 26 CYS HBy P 23 SER HB3 1.0 0.0 5.49 411 386 P 23 SER HB3 P 24 CYS HBy 1.0 0.0 5.38 412 386 P 23 SER HB2 P 24 CYS HBy 1.0 0.0 5.38 413 387 P 12 CYS HBy P 25 MET HE% 1.0 0.0 5.50 414 388 P 3 TRP HA P 4 LEU HB2 1.0 0.0 4.64 415 388 P 3 TRP HA P 4 LEU HB3 1.0 0.0 4.64 416 389 P 23 SER H P 23 SER HB2 1.0 0.0 3.11 417 389 P 23 SER H P 23 SER HB3 1.0 0.0 3.11 418 390 P 16 ASN HD22 P 19 THR HG2% 1.0 0.0 4.88 419 391 P 3 TRP HD1 P 5 VAL HGx% 1.0 0.0 4.79 420 392 P 3 TRP HD1 P 5 VAL HGy% 1.0 0.0 4.79 421 393 P 18 GLY H P 9 ILE HG2% 1.0 0.0 4.30 422 394 P 18 GLY H P 19 THR HG2% 1.0 0.0 5.23 423 395 P 21 CYS H P 10 THR HG2% 1.0 0.0 5.46 424 396 P 7 SER H P 9 ILE HD1% 1.0 0.0 5.24 425 397 P 7 SER H P 9 ILE HG2% 1.0 0.0 5.50 426 398 P 4 LEU H P 4 LEU HDx% 1.0 0.0 4.95 427 399 P 26 CYS H P 27 THR HG2% 1.0 0.0 4.51 428 400 P 9 ILE HA P 9 ILE HD1% 1.0 0.0 4.57 429 401 P 3 TRP H P 1 ALA HB% 1.0 0.0 5.50 430 402 P 9 ILE H P 8 GLN HG3 1.0 0.0 4.65 431 402 P 9 ILE H P 8 GLN HG2 1.0 0.0 4.65 432 403 P 8 GLN H P 8 GLN HG3 1.0 0.0 3.49 433 403 P 8 GLN H P 8 GLN HG2 1.0 0.0 3.49 434 404 P 24 CYS H P 27 THR HG2% 1.0 0.0 5.50 435 405 P 4 LEU H P 4 LEU HDy% 1.0 0.0 4.95 436 406 P 19 THR H P 11 THR HG2% 1.0 0.0 5.00 437 407 P 16 ASN HD21 P 19 THR HG2% 1.0 0.0 4.88 438 408 P 3 TRP HD1 P 3 TRP HB2 1.0 0.0 3.40 439 408 P 3 TRP HD1 P 3 TRP HB3 1.0 0.0 3.40 440 409 P 24 CYS H P 23 SER HB2 1.0 0.0 3.62 441 409 P 24 CYS H P 23 SER HB3 1.0 0.0 3.62 442 410 P 25 MET H P 25 MET HE% 1.0 0.0 5.15 443 411 P 3 TRP HE1 P 5 VAL HGx% 1.0 0.0 4.99 444 412 P 3 TRP HE1 P 5 VAL HGy% 1.0 0.0 4.99 445 413 P 3 TRP H P 2 HYP HBx 1.0 0.0 3.65 446 413 P 3 TRP H P 2 HYP HBy 1.0 0.0 3.65 447 414 P 3 TRP H P 4 LEU HDx% 1.0 0.0 5.44 448 414 P 3 TRP H P 4 LEU HDy% 1.0 0.0 5.44 449 415 P 3 TRP HB3 P 5 VAL HGy% 1.0 0.0 4.74 450 415 P 3 TRP HB2 P 5 VAL HGy% 1.0 0.0 4.74 451 415 P 5 VAL HGx% P 3 TRP HB2 1.0 0.0 4.74 452 415 P 3 TRP HB3 P 5 VAL HGx% 1.0 0.0 4.74 453 416 P 3 TRP HD1 P 4 LEU HDx% 1.0 0.0 4.92 454 416 P 3 TRP HD1 P 4 LEU HDy% 1.0 0.0 4.92 455 417 P 3 TRP HD1 P 5 VAL HGy% 1.0 0.0 3.91 456 417 P 3 TRP HD1 P 5 VAL HGx% 1.0 0.0 3.91 457 418 P 3 TRP HE3 P 5 VAL HGy% 1.0 0.0 5.44 458 418 P 3 TRP HE3 P 5 VAL HGx% 1.0 0.0 5.44 459 419 P 3 TRP HE1 P 5 VAL HGy% 1.0 0.0 4.14 460 419 P 3 TRP HE1 P 5 VAL HGx% 1.0 0.0 4.14 461 420 P 3 TRP HZ2 P 5 VAL HGy% 1.0 0.0 5.18 462 420 P 3 TRP HZ2 P 5 VAL HGx% 1.0 0.0 5.18 463 421 P 4 LEU H P 4 LEU HDx% 1.0 0.0 4.34 464 421 P 4 LEU H P 4 LEU HDy% 1.0 0.0 4.34 465 422 P 4 LEU H P 5 VAL HGy% 1.0 0.0 5.44 466 422 P 4 LEU H P 5 VAL HGx% 1.0 0.0 5.44 467 423 P 4 LEU HA P 4 LEU HDx% 1.0 0.0 3.18 468 423 P 4 LEU HA P 4 LEU HDy% 1.0 0.0 3.18 469 424 P 4 LEU HA P 5 VAL HGy% 1.0 0.0 4.31 470 424 P 4 LEU HA P 5 VAL HGx% 1.0 0.0 4.31 471 425 P 5 VAL H P 4 LEU HDx% 1.0 0.0 4.70 472 425 P 5 VAL H P 4 LEU HDy% 1.0 0.0 4.70 473 426 P 5 VAL H P 5 VAL HGy% 1.0 0.0 3.17 474 426 P 5 VAL H P 5 VAL HGx% 1.0 0.0 3.17 475 427 P 5 VAL HA P 6 PRO HBx 1.0 0.0 5.23 476 427 P 5 VAL HA P 6 PRO HBy 1.0 0.0 5.23 477 428 P 6 PRO HA P 5 VAL HGy% 1.0 0.0 4.55 478 428 P 6 PRO HA P 5 VAL HGx% 1.0 0.0 4.55 479 429 P 6 PRO HDy P 5 VAL HGy% 1.0 0.0 3.35 480 429 P 6 PRO HDy P 5 VAL HGx% 1.0 0.0 3.35 481 430 P 6 PRO HDx P 5 VAL HGy% 1.0 0.0 3.88 482 430 P 6 PRO HDx P 5 VAL HGx% 1.0 0.0 3.88 483 431 P 7 SER H P 5 VAL HGy% 1.0 0.0 5.44 484 431 P 7 SER H P 5 VAL HGx% 1.0 0.0 5.44 485 432 P 7 SER HA P 5 VAL HGy% 1.0 0.0 4.90 486 432 P 7 SER HA P 5 VAL HGx% 1.0 0.0 4.90 487 433 P 6 PRO HBx P 9 ILE HG1y 1.0 0.0 4.83 488 433 P 6 PRO HBy P 9 ILE HG1y 1.0 0.0 4.83 489 433 P 9 ILE HG1x P 6 PRO HBx 1.0 0.0 4.83 490 433 P 6 PRO HBy P 9 ILE HG1x 1.0 0.0 4.83 491 434 P 6 PRO HGy P 9 ILE HG1y 1.0 0.0 3.93 492 434 P 6 PRO HGy P 9 ILE HG1x 1.0 0.0 3.93 493 435 P 6 PRO HGx P 9 ILE HG1y 1.0 0.0 4.94 494 435 P 6 PRO HGx P 9 ILE HG1x 1.0 0.0 4.94 495 436 P 6 PRO HDy P 9 ILE HG1y 1.0 0.0 5.34 496 436 P 6 PRO HDy P 9 ILE HG1x 1.0 0.0 5.34 497 437 P 7 SER H P 9 ILE HG1y 1.0 0.0 5.34 498 437 P 7 SER H P 9 ILE HG1x 1.0 0.0 5.34 499 438 P 7 SER HBy P 9 ILE HG1y 1.0 0.0 4.52 500 438 P 7 SER HBy P 9 ILE HG1x 1.0 0.0 4.52 501 439 P 7 SER HBx P 8 GLN HG3 1.0 0.0 4.73 502 439 P 7 SER HBx P 8 GLN HG2 1.0 0.0 4.73 503 440 P 8 GLN H P 8 GLN HG3 1.0 0.0 3.49 504 440 P 8 GLN H P 8 GLN HG2 1.0 0.0 3.49 505 441 P 8 GLN H P 9 ILE HG1y 1.0 0.0 4.69 506 441 P 8 GLN H P 9 ILE HG1x 1.0 0.0 4.69 507 442 P 8 GLN HA P 9 ILE HG1y 1.0 0.0 4.12 508 442 P 8 GLN HA P 9 ILE HG1x 1.0 0.0 4.12 509 443 P 9 ILE HG2% P 8 GLN HG3 1.0 0.0 5.34 510 443 P 9 ILE HG2% P 8 GLN HG2 1.0 0.0 5.34 511 444 P 8 GLN HG3 P 9 ILE HG1y 1.0 0.0 4.76 512 444 P 8 GLN HG2 P 9 ILE HG1y 1.0 0.0 4.76 513 444 P 9 ILE HG1x P 8 GLN HG3 1.0 0.0 4.76 514 444 P 8 GLN HG2 P 9 ILE HG1x 1.0 0.0 4.76 515 445 P 8 GLN HG3 P 9 ILE HG1y 1.0 0.0 4.76 516 445 P 8 GLN HG2 P 9 ILE HG1y 1.0 0.0 4.76 517 445 P 9 ILE HG1x P 8 GLN HG3 1.0 0.0 4.76 518 445 P 8 GLN HG2 P 9 ILE HG1x 1.0 0.0 4.76 519 446 P 9 ILE HA P 9 ILE HG1y 1.0 0.0 3.23 520 446 P 9 ILE HA P 9 ILE HG1x 1.0 0.0 3.23 521 447 P 10 THR H P 9 ILE HG1y 1.0 0.0 5.08 522 447 P 10 THR H P 9 ILE HG1x 1.0 0.0 5.08 523 448 P 10 THR H P 20 MET HGx 1.0 0.0 5.34 524 448 P 10 THR H P 20 MET HGy 1.0 0.0 5.34 525 449 P 10 THR HB P 20 MET HB3 1.0 0.0 4.20 526 449 P 10 THR HB P 20 MET HB2 1.0 0.0 4.20 527 450 P 10 THR HB P 20 MET HGx 1.0 0.0 4.25 528 450 P 10 THR HB P 20 MET HGy 1.0 0.0 4.25 529 451 P 10 THR HG2% P 20 MET HGx 1.0 0.0 3.72 530 451 P 10 THR HG2% P 20 MET HGy 1.0 0.0 3.72 531 452 P 12 CYS H P 21 CYS HBy 1.0 0.0 5.34 532 452 P 12 CYS H P 21 CYS HBx 1.0 0.0 5.34 533 453 P 12 CYS HA P 21 CYS HBy 1.0 0.0 4.66 534 453 P 12 CYS HA P 21 CYS HBx 1.0 0.0 4.66 535 454 P 12 CYS HBy P 21 CYS HBy 1.0 0.0 4.63 536 454 P 12 CYS HBy P 21 CYS HBx 1.0 0.0 4.63 537 455 P 12 CYS HBx P 21 CYS HBy 1.0 0.0 4.63 538 455 P 12 CYS HBx P 21 CYS HBx 1.0 0.0 4.63 539 456 P 15 TYR H P 13 CYS HBy 1.0 0.0 4.37 540 456 P 15 TYR H P 13 CYS HBx 1.0 0.0 4.37 541 457 P 15 TYR HD% P 13 CYS HBy 1.0 0.0 3.68 542 457 P 15 TYR HD% P 13 CYS HBx 1.0 0.0 3.68 543 458 P 15 TYR HE% P 13 CYS HBy 1.0 0.0 4.22 544 458 P 15 TYR HE% P 13 CYS HBx 1.0 0.0 4.22 545 459 P 26 CYS HA P 13 CYS HBy 1.0 0.0 3.96 546 459 P 26 CYS HA P 13 CYS HBx 1.0 0.0 3.96 547 460 P 16 ASN HD21 P 15 TYR HBy 1.0 0.0 5.34 548 460 P 16 ASN HD22 P 15 TYR HBy 1.0 0.0 5.34 549 461 P 16 ASN HBy P 16 ASN HD21 1.0 0.0 3.14 550 461 P 16 ASN HBy P 16 ASN HD22 1.0 0.0 3.14 551 462 P 16 ASN HD21 P 16 ASN HBx 1.0 0.0 3.48 552 462 P 16 ASN HD22 P 16 ASN HBx 1.0 0.0 3.48 553 463 P 16 ASN HD21 P 19 THR HG2% 1.0 0.0 4.18 554 463 P 16 ASN HD22 P 19 THR HG2% 1.0 0.0 4.18 555 464 P 20 MET H P 20 MET HGx 1.0 0.0 4.45 556 464 P 20 MET H P 20 MET HGy 1.0 0.0 4.45 557 465 P 20 MET HA P 20 MET HGx 1.0 0.0 3.58 558 465 P 20 MET HA P 20 MET HGy 1.0 0.0 3.58 559 466 P 20 MET HA P 21 CYS HBy 1.0 0.0 4.72 560 466 P 20 MET HA P 21 CYS HBx 1.0 0.0 4.72 561 467 P 21 CYS HA P 20 MET HB3 1.0 0.0 4.88 562 467 P 21 CYS HA P 20 MET HB2 1.0 0.0 4.88 563 468 P 21 CYS HA P 20 MET HGx 1.0 0.0 5.34 564 468 P 21 CYS HA P 20 MET HGy 1.0 0.0 5.34 565 469 P 21 CYS H P 21 CYS HBy 1.0 0.0 3.62 566 469 P 21 CYS H P 21 CYS HBx 1.0 0.0 3.62 567 470 P 21 CYS HA P 25 MET HGx 1.0 0.0 4.69 568 470 P 21 CYS HA P 25 MET HGy 1.0 0.0 4.69 569 471 P 21 CYS HBx P 25 MET HBx 1.0 0.0 4.57 570 471 P 21 CYS HBy P 25 MET HBx 1.0 0.0 4.57 571 471 P 25 MET HBy P 21 CYS HBy 1.0 0.0 4.57 572 471 P 21 CYS HBx P 25 MET HBy 1.0 0.0 4.57 573 472 P 25 MET HE% P 21 CYS HBy 1.0 0.0 4.24 574 472 P 25 MET HE% P 21 CYS HBx 1.0 0.0 4.24 575 473 P 22 HYP HBy P 25 MET HGx 1.0 0.0 4.29 576 473 P 22 HYP HBy P 25 MET HGy 1.0 0.0 4.29 577 474 P 23 SER H P 24 CYS HBy 1.0 0.0 4.72 578 474 P 23 SER H P 24 CYS HBx 1.0 0.0 4.72 579 475 P 23 SER HB3 P 24 CYS HBy 1.0 0.0 4.73 580 475 P 23 SER HB2 P 24 CYS HBy 1.0 0.0 4.73 581 475 P 24 CYS HBx P 23 SER HB2 1.0 0.0 4.73 582 475 P 23 SER HB3 P 24 CYS HBx 1.0 0.0 4.73 583 476 P 24 CYS H P 24 CYS HBy 1.0 0.0 2.92 584 476 P 24 CYS H P 24 CYS HBx 1.0 0.0 2.92 585 477 P 24 CYS H P 25 MET HBx 1.0 0.0 4.91 586 477 P 24 CYS H P 25 MET HBy 1.0 0.0 4.91 587 478 P 24 CYS HA P 24 CYS HBy 1.0 0.0 2.64 588 478 P 24 CYS HA P 24 CYS HBx 1.0 0.0 2.64 589 479 P 25 MET HA P 24 CYS HBy 1.0 0.0 5.01 590 479 P 25 MET HA P 24 CYS HBx 1.0 0.0 5.01 591 480 P 26 CYS H P 24 CYS HBy 1.0 0.0 5.14 592 480 P 26 CYS H P 24 CYS HBx 1.0 0.0 5.14 593 481 P 29 THR H P 24 CYS HBy 1.0 0.0 4.16 594 481 P 29 THR H P 24 CYS HBx 1.0 0.0 4.16 595 482 P 30 CYS H P 24 CYS HBy 1.0 0.0 4.00 596 482 P 30 CYS H P 24 CYS HBx 1.0 0.0 4.00 597 483 P 30 CYS HA P 24 CYS HBy 1.0 0.0 3.28 598 483 P 30 CYS HA P 24 CYS HBx 1.0 0.0 3.28 599 484 P 25 MET H P 25 MET HBx 1.0 0.0 3.05 600 484 P 25 MET H P 25 MET HBy 1.0 0.0 3.05 601 485 P 25 MET H P 25 MET HGx 1.0 0.0 3.47 602 485 P 25 MET H P 25 MET HGy 1.0 0.0 3.47 603 486 P 25 MET HA P 25 MET HGx 1.0 0.0 3.40 604 486 P 25 MET HA P 25 MET HGy 1.0 0.0 3.40 605 487 P 26 CYS H P 25 MET HBx 1.0 0.0 3.64 606 487 P 26 CYS H P 25 MET HBy 1.0 0.0 3.64 607 488 P 26 CYS H P 25 MET HGx 1.0 0.0 4.79 608 488 P 26 CYS H P 25 MET HGy 1.0 0.0 4.79 609 489 P 27 THR H P 28 ASN HBy 1.0 0.0 5.27 610 489 P 27 THR H P 28 ASN HBx 1.0 0.0 5.27 611 490 P 27 THR HA P 28 ASN HBy 1.0 0.0 4.95 612 490 P 27 THR HA P 28 ASN HBx 1.0 0.0 4.95 613 491 P 28 ASN H P 28 ASN HBy 1.0 0.0 3.56 614 491 P 28 ASN H P 28 ASN HBx 1.0 0.0 3.56 615 492 P 28 ASN HBy P 28 ASN HD21 1.0 0.0 3.23 616 492 P 28 ASN HD22 P 28 ASN HBy 1.0 0.0 3.23 617 492 P 28 ASN HBx P 28 ASN HD22 1.0 0.0 3.23 618 492 P 28 ASN HBx P 28 ASN HD21 1.0 0.0 3.23 619 493 P 29 THR HG2% P 28 ASN HBy 1.0 0.0 4.49 620 493 P 29 THR HG2% P 28 ASN HBx 1.0 0.0 4.49 621 494 P 30 CYS H P 30 CYS HBx 1.0 0.0 2.99 622 494 P 30 CYS H P 30 CYS HBy 1.0 0.0 2.99 stop_ save_