data_nef_c25613_2n2v save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2N2V stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 6 CYS SG 1 11 CYS SG 1 7 CYS SG 2 7 CYS SG 1 20 CYS SG 2 19 CYS SG 2 25 PHE C 2 26 NVA N 2 26 NVA C 2 27 THR N 2 28 PRO C 2 29 HIX N 2 29 HIX C 2 30 THR N 2 26 NVA CD 2 29 HIX NE2 stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 ILE middle . . 3 A 3 VAL middle . . 4 A 4 GLU middle . . 5 A 5 GLN middle . . 6 A 6 CYS middle -HG . 7 A 7 CYS middle -HG . 8 A 8 THR middle . . 9 A 9 SER middle . . 10 A 10 ILE middle . . 11 A 11 CYS middle -HG . 12 A 12 SER middle . . 13 A 13 LEU middle . . 14 A 14 TYR middle . . 15 A 15 GLN middle . . 16 A 16 LEU middle . . 17 A 17 GLU middle . . 18 A 18 ASN middle . . 19 A 19 TYR middle . . 20 A 20 CYS middle -HG . 21 A 21 ASN end . . 22 B 1 PHE start . . 23 B 2 VAL middle . . 24 B 3 ASN middle . . 25 B 4 GLN middle . . 26 B 5 HIS middle . . 27 B 6 LEU middle . . 28 B 7 CYS middle -HG . 29 B 8 GLY middle . false 30 B 9 SER middle . . 31 B 10 HIS middle . . 32 B 11 LEU middle . . 33 B 12 VAL middle . . 34 B 13 GLU middle . . 35 B 14 ALA middle . . 36 B 15 LEU middle . . 37 B 16 TYR middle . . 38 B 17 LEU middle . . 39 B 18 VAL middle . . 40 B 19 CYS middle -HG . 41 B 20 GLY middle . false 42 B 21 GLU middle . . 43 B 22 ARG middle . . 44 B 23 GLY middle . false 45 B 24 PHE middle . . 46 B 25 PHE middle . . 47 B 26 NVA middle . . 48 B 27 THR middle . . 49 B 28 PRO middle . false 50 B 29 HIX middle . . 51 B 30 THR 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 GLY HAx H 1 4.025 0.020 A 1 GLY HAy H 1 4.025 0.020 A 1 GLY CA C 13 43.264 0.200 A 2 ILE H H 1 8.541 0.020 A 2 ILE HA H 1 4.066 0.020 A 2 ILE HB H 1 1.273 0.020 A 2 ILE HD1% H 1 0.689 0.020 A 2 ILE HG12 H 1 0.805 0.020 A 2 ILE HG13 H 1 0.805 0.020 A 2 ILE HG2% H 1 0.805 0.020 A 2 ILE CA C 13 57.493 0.200 A 2 ILE CB C 13 40.011 0.200 A 2 ILE CD1 C 13 13.826 0.200 A 2 ILE CG1 C 13 27.745 0.200 A 2 ILE CG2 C 13 16.726 0.200 A 3 VAL H H 1 8.164 0.020 A 3 VAL HA H 1 3.731 0.020 A 3 VAL HB H 1 1.961 0.020 A 3 VAL HGx% H 1 0.958 0.020 A 3 VAL HGy% H 1 0.919 0.020 A 3 VAL CA C 13 64.772 0.200 A 3 VAL CB C 13 31.596 0.200 A 4 GLU H H 1 8.161 0.020 A 4 GLU HA H 1 4.291 0.020 A 4 GLU HBx H 1 2.134 0.020 A 4 GLU HBy H 1 2.134 0.020 A 4 GLU HGx H 1 2.536 0.020 A 4 GLU HGy H 1 2.536 0.020 A 4 GLU CA C 13 57.076 0.200 A 4 GLU CB C 13 27.783 0.200 A 4 GLU CG C 13 32.902 0.200 A 5 GLN H H 1 8.29 0.020 A 5 GLN HA H 1 4.125 0.020 A 5 GLN HBy H 1 2.154 0.020 A 5 GLN HBx H 1 2.105 0.020 A 5 GLN HE2x H 1 6.918 0.020 A 5 GLN HE2y H 1 7.527 0.020 A 5 GLN HGy H 1 2.485 0.020 A 5 GLN HGx H 1 2.433 0.020 A 5 GLN CA C 13 58.583 0.200 A 5 GLN CB C 13 29.018 0.200 A 5 GLN NE2 N 15 113.725 0.200 A 6 CYS H H 1 8.369 0.020 A 6 CYS HA H 1 4.959 0.020 A 6 CYS HBx H 1 2.9 0.020 A 6 CYS HBy H 1 3.413 0.020 A 7 CYS H H 1 8.308 0.020 A 7 CYS HA H 1 4.873 0.020 A 7 CYS HBy H 1 3.801 0.020 A 7 CYS HBx H 1 3.321 0.020 A 7 CYS CB C 13 38.817 0.200 A 8 THR H H 1 8.233 0.020 A 8 THR HA H 1 4.11 0.020 A 8 THR HB H 1 4.425 0.020 A 8 THR HG2% H 1 1.277 0.020 A 8 THR CA C 13 64.398 0.200 A 8 THR CB C 13 68.493 0.200 A 9 SER H H 1 7.533 0.020 A 9 SER HA H 1 4.816 0.020 A 9 SER HBy H 1 4.063 0.020 A 9 SER HBx H 1 3.925 0.020 A 9 SER CA C 13 55.989 0.200 A 9 SER CB C 13 64.007 0.200 A 10 ILE H H 1 7.876 0.020 A 10 ILE HA H 1 4.378 0.020 A 10 ILE HB H 1 1.608 0.020 A 10 ILE HD1% H 1 0.547 0.020 A 10 ILE HG1y H 1 1.133 0.020 A 10 ILE HG1x H 1 0.498 0.020 A 10 ILE HG2% H 1 0.677 0.020 A 10 ILE CA C 13 59.891 0.200 A 10 ILE CB C 13 38.925 0.200 A 10 ILE CD1 C 13 12.278 0.200 A 10 ILE CG1 C 13 26.859 0.200 A 10 ILE CG2 C 13 17.257 0.200 A 11 CYS H H 1 9.71 0.020 A 11 CYS HA H 1 4.966 0.020 A 11 CYS HBx H 1 3.238 0.020 A 12 SER H H 1 8.799 0.020 A 12 SER HA H 1 4.635 0.020 A 12 SER HBy H 1 4.341 0.020 A 12 SER HBx H 1 4.04 0.020 A 12 SER CA C 13 56.435 0.200 A 12 SER CB C 13 65.596 0.200 A 13 LEU H H 1 8.652 0.020 A 13 LEU HA H 1 3.888 0.020 A 13 LEU HBy H 1 1.388 0.020 A 13 LEU HBx H 1 1.366 0.020 A 13 LEU HDx% H 1 0.831 0.020 A 13 LEU HDy% H 1 0.772 0.020 A 13 LEU HG H 1 1.449 0.020 A 13 LEU CA C 13 58.229 0.200 A 13 LEU CB C 13 41.147 0.200 A 14 TYR H H 1 7.517 0.020 A 14 TYR HA H 1 4.193 0.020 A 14 TYR HDx H 1 7.086 0.020 A 14 TYR HDy H 1 7.086 0.020 A 14 TYR HEx H 1 6.862 0.020 A 14 TYR HEy H 1 6.862 0.020 A 14 TYR CA C 13 59.98 0.200 A 14 TYR CB C 13 37.621 0.200 A 15 GLN H H 1 7.581 0.020 A 15 GLN HA H 1 4.015 0.020 A 15 GLN HBy H 1 2.41 0.020 A 15 GLN HBx H 1 2.069 0.020 A 15 GLN HE2x H 1 6.979 0.020 A 15 GLN HE2y H 1 7.528 0.020 A 15 GLN HGy H 1 2.481 0.020 A 15 GLN HGx H 1 2.413 0.020 A 15 GLN CA C 13 58.462 0.200 A 15 GLN CB C 13 28.947 0.200 A 15 GLN CG C 13 35.016 0.200 A 15 GLN NE2 N 15 113.833 0.200 A 16 LEU H H 1 8.084 0.020 A 16 LEU HA H 1 4.205 0.020 A 16 LEU HBy H 1 1.969 0.020 A 16 LEU HBx H 1 1.591 0.020 A 16 LEU HDx% H 1 0.869 0.020 A 16 LEU HDy% H 1 0.833 0.020 A 16 LEU HG H 1 1.781 0.020 A 16 LEU CA C 13 58.035 0.200 A 16 LEU CB C 13 41.867 0.200 A 17 GLU H H 1 8.121 0.020 A 17 GLU HA H 1 4.227 0.020 A 17 GLU HBy H 1 2.152 0.020 A 17 GLU HBx H 1 2.087 0.020 A 17 GLU HGy H 1 2.615 0.020 A 17 GLU HGx H 1 2.393 0.020 A 17 GLU CA C 13 57.67 0.200 A 17 GLU CB C 13 28.976 0.200 A 17 GLU CG C 13 33.429 0.200 A 18 ASN H H 1 7.469 0.020 A 18 ASN HA H 1 4.52 0.020 A 18 ASN HBy H 1 2.649 0.020 A 18 ASN HBx H 1 2.593 0.020 A 18 ASN HD2x H 1 6.559 0.020 A 18 ASN HD2y H 1 7.207 0.020 A 18 ASN CA C 13 54.719 0.200 A 18 ASN CB C 13 38.379 0.200 A 18 ASN ND2 N 15 113.823 0.200 A 19 TYR H H 1 7.928 0.020 A 19 TYR HA H 1 4.528 0.020 A 19 TYR HBy H 1 3.355 0.020 A 19 TYR HBx H 1 3.043 0.020 A 19 TYR HDx H 1 7.365 0.020 A 19 TYR HDy H 1 7.365 0.020 A 19 TYR HEx H 1 6.823 0.020 A 19 TYR HEy H 1 6.823 0.020 A 19 TYR CA C 13 58.92 0.200 A 19 TYR CB C 13 38.272 0.200 A 20 CYS H H 1 7.484 0.020 A 20 CYS HA H 1 4.967 0.020 A 20 CYS HBy H 1 3.306 0.020 A 20 CYS HBx H 1 2.89 0.020 A 20 CYS CB C 13 35.81 0.200 A 21 ASN H H 1 8.334 0.020 A 21 ASN HA H 1 4.756 0.020 A 21 ASN HBy H 1 2.922 0.020 A 21 ASN HBx H 1 2.801 0.020 A 21 ASN HD2x H 1 6.683 0.020 A 21 ASN HD2y H 1 7.544 0.020 A 21 ASN CA C 13 53.008 0.200 A 21 ASN CB C 13 38.145 0.200 A 21 ASN ND2 N 15 113.942 0.200 B 1 PHE HA H 1 4.294 0.020 B 1 PHE HBx H 1 3.194 0.020 B 1 PHE HBy H 1 3.194 0.020 B 1 PHE HDx H 1 7.244 0.020 B 1 PHE HDy H 1 7.244 0.020 B 1 PHE HEx H 1 7.376 0.020 B 1 PHE HEy H 1 7.376 0.020 B 1 PHE HZ H 1 7.313 0.020 B 1 PHE CA C 13 57.076 0.200 B 1 PHE CB C 13 39.622 0.200 B 2 VAL H H 1 8.16 0.020 B 2 VAL HA H 1 4.166 0.020 B 2 VAL HB H 1 1.924 0.020 B 2 VAL HGx% H 1 0.879 0.020 B 2 VAL CA C 13 61.495 0.200 B 2 VAL CB C 13 33.157 0.200 B 3 ASN H H 1 8.507 0.020 B 3 ASN HA H 1 4.756 0.020 B 3 ASN HBx H 1 2.75 0.020 B 3 ASN HBy H 1 2.75 0.020 B 3 ASN HD2x H 1 6.947 0.020 B 3 ASN HD2y H 1 7.561 0.020 B 3 ASN CA C 13 52.578 0.200 B 3 ASN CB C 13 38.32 0.200 B 3 ASN ND2 N 15 113.636 0.200 B 4 GLN H H 1 8.449 0.020 B 4 GLN HA H 1 4.53 0.020 B 4 GLN HBy H 1 2.131 0.020 B 4 GLN HBx H 1 1.951 0.020 B 4 GLN HE2x H 1 6.828 0.020 B 4 GLN HE2y H 1 7.361 0.020 B 4 GLN HGy H 1 2.295 0.020 B 4 GLN HGx H 1 2.179 0.020 B 4 GLN CA C 13 54.619 0.200 B 4 GLN CB C 13 31.043 0.200 B 4 GLN CG C 13 33.052 0.200 B 4 GLN NE2 N 15 113.557 0.200 B 5 HIS H H 1 8.672 0.020 B 5 HIS HA H 1 4.501 0.020 B 5 HIS HBy H 1 3.594 0.020 B 5 HIS HBx H 1 3.289 0.020 B 5 HIS HD2 H 1 7.417 0.020 B 5 HIS HE1 H 1 8.612 0.020 B 5 HIS CA C 13 56.762 0.200 B 5 HIS CB C 13 28.158 0.200 B 6 LEU H H 1 9.002 0.020 B 6 LEU HA H 1 4.548 0.020 B 6 LEU HBy H 1 1.797 0.020 B 6 LEU HBx H 1 0.915 0.020 B 6 LEU HDx% H 1 0.923 0.020 B 6 LEU HDy% H 1 0.768 0.020 B 6 LEU HG H 1 1.643 0.020 B 6 LEU CA C 13 53.903 0.200 B 6 LEU CB C 13 44.776 0.200 B 7 CYS H H 1 8.366 0.020 B 7 CYS HA H 1 5.018 0.020 B 7 CYS HBy H 1 3.258 0.020 B 7 CYS HBx H 1 3.001 0.020 B 7 CYS CB C 13 47.287 0.200 B 8 GLY H H 1 9.288 0.020 B 8 GLY HAy H 1 4.033 0.020 B 8 GLY HAx H 1 3.878 0.020 B 8 GLY CA C 13 46.54 0.200 B 9 SER H H 1 9.115 0.020 B 9 SER HA H 1 4.157 0.020 B 9 SER HBx H 1 3.938 0.020 B 9 SER HBy H 1 3.938 0.020 B 9 SER CA C 13 61.28 0.200 B 9 SER CB C 13 62.264 0.200 B 10 HIS H H 1 8.042 0.020 B 10 HIS HA H 1 4.568 0.020 B 10 HIS HBy H 1 3.615 0.020 B 10 HIS HBx H 1 3.344 0.020 B 10 HIS HD2 H 1 7.51 0.020 B 10 HIS HE1 H 1 8.721 0.020 B 10 HIS CA C 13 57.305 0.200 B 10 HIS CB C 13 27.858 0.200 B 11 LEU H H 1 7.122 0.020 B 11 LEU HA H 1 4.058 0.020 B 11 LEU HBy H 1 1.917 0.020 B 11 LEU HBx H 1 1.279 0.020 B 11 LEU HDx% H 1 0.831 0.020 B 11 LEU HDy% H 1 0.769 0.020 B 11 LEU HG H 1 1.351 0.020 B 11 LEU CA C 13 57.504 0.200 B 11 LEU CB C 13 40.008 0.200 B 12 VAL H H 1 7.195 0.020 B 12 VAL HA H 1 3.349 0.020 B 12 VAL HB H 1 2.088 0.020 B 12 VAL HGx% H 1 0.989 0.020 B 12 VAL HGy% H 1 0.972 0.020 B 12 VAL CA C 13 66.616 0.200 B 12 VAL CB C 13 31.508 0.200 B 13 GLU H H 1 7.976 0.020 B 13 GLU HA H 1 4.152 0.020 B 13 GLU HBy H 1 2.212 0.020 B 13 GLU HBx H 1 2.133 0.020 B 13 GLU HGx H 1 2.588 0.020 B 13 GLU HGy H 1 2.588 0.020 B 13 GLU CA C 13 58.551 0.200 B 13 GLU CB C 13 27.793 0.200 B 14 ALA H H 1 7.747 0.020 B 14 ALA HA H 1 4.133 0.020 B 14 ALA HB% H 1 1.525 0.020 B 14 ALA CA C 13 55.158 0.200 B 14 ALA CB C 13 18.843 0.200 B 15 LEU H H 1 8.067 0.020 B 15 LEU HA H 1 3.918 0.020 B 15 LEU HBy H 1 1.34 0.020 B 15 LEU HBx H 1 0.77 0.020 B 15 LEU HDx% H 1 0.699 0.020 B 15 LEU HDy% H 1 0.468 0.020 B 15 LEU HG H 1 1.518 0.020 B 15 LEU CA C 13 57.499 0.200 B 15 LEU CB C 13 40.717 0.200 B 15 LEU CDx C 13 23.891 0.200 B 15 LEU CDy C 13 25.493 0.200 B 16 TYR H H 1 8.212 0.020 B 16 TYR HA H 1 4.343 0.020 B 16 TYR HBx H 1 3.181 0.020 B 16 TYR HBy H 1 3.181 0.020 B 16 TYR HDx H 1 7.195 0.020 B 16 TYR HDy H 1 7.195 0.020 B 16 TYR HEx H 1 6.816 0.020 B 16 TYR HEy H 1 6.816 0.020 B 16 TYR CA C 13 61.374 0.200 B 16 TYR CB C 13 37.698 0.200 B 17 LEU H H 1 7.848 0.020 B 17 LEU HA H 1 4.144 0.020 B 17 LEU HBy H 1 1.964 0.020 B 17 LEU HBx H 1 1.708 0.020 B 17 LEU HDx% H 1 0.974 0.020 B 17 LEU HDy% H 1 0.948 0.020 B 17 LEU HG H 1 1.875 0.020 B 17 LEU CA C 13 57.45 0.200 B 17 LEU CB C 13 42.078 0.200 B 18 VAL H H 1 8.577 0.020 B 18 VAL HA H 1 3.891 0.020 B 18 VAL HB H 1 2.129 0.020 B 18 VAL HGx% H 1 1.052 0.020 B 18 VAL HGy% H 1 0.911 0.020 B 18 VAL CA C 13 65.061 0.200 B 18 VAL CB C 13 32.312 0.200 B 19 CYS H H 1 8.775 0.020 B 19 CYS HA H 1 4.841 0.020 B 19 CYS HBy H 1 3.292 0.020 B 19 CYS HBx H 1 2.972 0.020 B 19 CYS CA C 13 54.183 0.200 B 19 CYS CB C 13 36.283 0.200 B 20 GLY H H 1 7.75 0.020 B 20 GLY HAx H 1 3.998 0.020 B 20 GLY HAy H 1 3.998 0.020 B 20 GLY CA C 13 46.333 0.200 B 20 GLY N N 15 110.506 0.200 B 21 GLU H H 1 8.571 0.020 B 21 GLU HA H 1 4.26 0.020 B 21 GLU HBy H 1 2.233 0.020 B 21 GLU HBx H 1 2.139 0.020 B 21 GLU HGx H 1 2.569 0.020 B 21 GLU HGy H 1 2.569 0.020 B 21 GLU CA C 13 56.811 0.200 B 21 GLU CB C 13 27.815 0.200 B 22 ARG H H 1 8.052 0.020 B 22 ARG HA H 1 4.244 0.020 B 22 ARG HBx H 1 2.021 0.020 B 22 ARG HBy H 1 2.021 0.020 B 22 ARG HDx H 1 3.314 0.020 B 22 ARG HDy H 1 3.314 0.020 B 22 ARG HE H 1 7.151 0.020 B 22 ARG HGx H 1 1.82 0.020 B 22 ARG HGy H 1 1.82 0.020 B 22 ARG CA C 13 57.025 0.200 B 22 ARG CB C 13 30.415 0.200 B 22 ARG CD C 13 43.589 0.200 B 23 GLY H H 1 7.642 0.020 B 23 GLY HAy H 1 4.077 0.020 B 23 GLY HAx H 1 3.894 0.020 B 23 GLY CA C 13 44.757 0.200 B 24 PHE H H 1 7.734 0.020 B 24 PHE HA H 1 4.939 0.020 B 24 PHE HBy H 1 3.224 0.020 B 24 PHE HBx H 1 2.997 0.020 B 24 PHE HDx H 1 6.985 0.020 B 24 PHE HDy H 1 6.985 0.020 B 24 PHE HEx H 1 7.102 0.020 B 24 PHE HEy H 1 7.102 0.020 B 24 PHE CB C 13 40.706 0.200 B 25 PHE H H 1 8.451 0.020 B 25 PHE HA H 1 4.673 0.020 B 25 PHE HBx H 1 3.129 0.020 B 25 PHE HBy H 1 3.129 0.020 B 25 PHE HDx H 1 7.255 0.020 B 25 PHE HDy H 1 7.255 0.020 B 25 PHE HEx H 1 7.322 0.020 B 25 PHE HEy H 1 7.322 0.020 B 25 PHE CA C 13 57.344 0.200 B 25 PHE CB C 13 39.769 0.200 B 26 NVA H2 H 1 7.902 0.020 B 26 NVA H8 H 1 7.902 0.020 B 26 NVA HA H 1 4.585 0.020 B 26 NVA HB2 H 1 1.857 0.020 B 26 NVA HD2 H 1 4.409 0.020 B 26 NVA HD3 H 1 4.278 0.020 B 26 NVA HGy H 1 2.192 0.020 B 26 NVA HGx H 1 1.884 0.020 B 26 NVA CA C 13 55.123 0.200 B 26 NVA CB C 13 32.113 0.200 B 26 NVA CD C 13 52.596 0.200 B 27 THR H H 1 7.918 0.020 B 27 THR HA H 1 4.396 0.020 B 27 THR HB H 1 4.451 0.020 B 27 THR HG2% H 1 1.333 0.020 B 27 THR CA C 13 60.975 0.200 B 27 THR CB C 13 66.973 0.200 B 28 PRO HA H 1 4.15 0.020 B 28 PRO HBy H 1 2.309 0.020 B 28 PRO HBx H 1 1.86 0.020 B 28 PRO HDy H 1 3.804 0.020 B 28 PRO HDx H 1 3.6 0.020 B 28 PRO HGy H 1 2.169 0.020 B 28 PRO HGx H 1 1.998 0.020 B 28 PRO CA C 13 64.773 0.200 B 28 PRO CB C 13 31.425 0.200 B 28 PRO CD C 13 49.738 0.200 B 28 PRO CG C 13 27.971 0.200 B 29 HIX H H 1 8.694 0.020 B 29 HIX HA H 1 4.669 0.020 B 29 HIX HBy H 1 3.374 0.020 B 29 HIX HB3 H 1 3.172 0.020 B 29 HIX HD2 H 1 8.153 0.020 B 29 HIX CA C 13 55.924 0.200 B 29 HIX CB C 13 29.077 0.200 B 30 THR H H 1 8.078 0.020 B 30 THR HA H 1 4.548 0.020 B 30 THR HB H 1 4.462 0.020 B 30 THR HG2% H 1 1.218 0.020 B 30 THR CA C 13 60.517 0.200 B 30 THR CB C 13 69.946 0.200 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 2 ILE H A 1 GLY HAx 1.0 0.0 2.70 2 1 A 1 GLY HAy A 2 ILE H 1.0 0.0 2.70 3 2 B 1 PHE HA B 2 VAL H 1.0 0.0 2.73 4 3 A 10 ILE H A 10 ILE HG2% 1.0 0.0 4.18 5 4 A 10 ILE HG2% A 11 CYS H 1.0 0.0 4.59 6 5 A 12 SER HA A 13 LEU H 1.0 0.0 2.73 7 6 A 14 TYR H A 14 TYR HBx 1.0 0.0 3.75 8 7 A 14 TYR H A 14 TYR HBy 1.0 0.0 3.75 9 8 A 18 ASN H A 18 ASN HBx 1.0 0.0 3.52 10 9 A 18 ASN H A 18 ASN HBy 1.0 0.0 3.52 11 10 A 20 CYS HA A 21 ASN H 1.0 0.0 3.01 12 11 B 2 VAL HA B 3 ASN H 1.0 0.0 2.51 13 12 B 3 ASN HA B 4 GLN H 1.0 0.0 2.77 14 13 B 4 GLN HA B 5 HIS H 1.0 0.0 2.83 15 14 B 6 LEU HA B 7 CYS H 1.0 0.0 2.91 16 15 B 10 HIS H B 10 HIS HBy 1.0 0.0 3.53 17 16 B 10 HIS H B 10 HIS HBx 1.0 0.0 3.53 18 17 B 16 TYR H B 16 TYR HBx 1.0 0.0 2.72 19 17 B 16 TYR H B 16 TYR HBy 1.0 0.0 2.72 20 18 B 20 GLY H B 20 GLY HAx 1.0 0.0 2.93 21 18 B 20 GLY H B 20 GLY HAy 1.0 0.0 2.93 22 19 B 21 GLU H B 20 GLY HAx 1.0 0.0 3.16 23 19 B 20 GLY HAy B 21 GLU H 1.0 0.0 3.16 24 20 B 25 PHE H B 25 PHE HBx 1.0 0.0 3.25 25 20 B 25 PHE H B 25 PHE HBy 1.0 0.0 3.25 26 21 A 8 THR H A 8 THR HB 1.0 0.0 4.11 27 22 A 10 ILE H A 9 SER HBy 1.0 0.0 3.96 28 23 A 10 ILE H A 9 SER HBx 1.0 0.0 3.96 29 24 A 10 ILE H A 9 SER HA 1.0 0.0 3.55 30 25 B 1 PHE HA B 1 PHE HE% 1.0 0.0 4.91 31 26 B 1 PHE HA B 1 PHE HD% 1.0 0.0 3.52 32 27 B 19 CYS H B 19 CYS HBx 1.0 0.0 3.75 33 28 B 19 CYS H B 19 CYS HBy 1.0 0.0 3.75 34 29 B 7 CYS H B 7 CYS HBy 1.0 0.0 3.90 35 30 B 7 CYS H B 7 CYS HBx 1.0 0.0 3.90 36 31 B 9 SER H B 9 SER HBx 1.0 0.0 3.44 37 31 B 9 SER H B 9 SER HBy 1.0 0.0 3.44 38 32 B 5 HIS H B 5 HIS HBy 1.0 0.0 3.82 39 33 B 5 HIS H B 5 HIS HBx 1.0 0.0 3.82 40 34 B 3 ASN H B 3 ASN HBx 1.0 0.0 2.81 41 34 B 3 ASN H B 3 ASN HBy 1.0 0.0 2.81 42 35 B 4 GLN H B 3 ASN HBx 1.0 0.0 3.64 43 35 B 4 GLN H B 3 ASN HBy 1.0 0.0 3.64 44 36 A 21 ASN H A 21 ASN HBx 1.0 0.0 3.70 45 37 A 21 ASN H A 21 ASN HBy 1.0 0.0 3.70 46 38 A 21 ASN H A 20 CYS HBx 1.0 0.0 3.85 47 39 A 20 CYS H A 20 CYS HBx 1.0 0.0 3.75 48 40 A 20 CYS H A 20 CYS HBy 1.0 0.0 3.75 49 41 A 7 CYS H A 7 CYS HBy 1.0 0.0 3.86 50 42 A 7 CYS H A 7 CYS HBx 1.0 0.0 3.79 51 43 A 19 TYR H A 19 TYR HBy 1.0 0.0 3.80 52 44 A 19 TYR H A 19 TYR HBx 1.0 0.0 3.80 53 45 B 24 PHE H B 24 PHE HBy 1.0 0.0 3.89 54 46 B 24 PHE H B 24 PHE HBx 1.0 0.0 3.89 55 47 A 6 CYS H A 6 CYS HBx 1.0 0.0 4.09 56 48 B 6 LEU H B 6 LEU HG 1.0 0.0 4.60 57 49 A 10 ILE H A 10 ILE HB 1.0 0.0 3.65 58 50 B 14 ALA H B 14 ALA HB% 1.0 0.0 2.79 59 51 A 10 ILE HG2% B 4 GLN H 1.0 0.0 3.89 60 52 A 2 ILE H A 2 ILE HG2% 1.0 0.0 3.08 61 53 B 15 LEU H B 15 LEU HBy 1.0 0.0 3.35 62 54 B 15 LEU HA B 15 LEU HG 1.0 0.0 4.00 63 55 A 10 ILE HB A 10 ILE HD1% 1.0 0.0 3.27 64 56 A 10 ILE HG2% A 10 ILE HD1% 1.0 0.0 2.92 65 57 A 10 ILE HG2% A 10 ILE HA 1.0 0.0 3.44 66 58 A 10 ILE HD1% A 10 ILE HA 1.0 0.0 3.88 67 59 B 15 LEU HA B 15 LEU HDx% 1.0 0.0 4.00 68 60 A 3 VAL HA A 3 VAL HGx% 1.0 0.0 3.43 69 61 A 3 VAL HA A 3 VAL HGy% 1.0 0.0 3.43 70 62 B 18 VAL HA B 18 VAL HGx% 1.0 0.0 3.44 71 63 B 18 VAL HA B 18 VAL HGy% 1.0 0.0 3.44 72 64 B 2 VAL HA B 2 VAL HGx% 1.0 0.0 3.05 73 64 B 2 VAL HA B 2 VAL HG21 1.0 0.0 3.05 74 65 A 13 LEU HA A 13 LEU HDx% 1.0 0.0 4.02 75 66 A 13 LEU HA A 13 LEU HDy% 1.0 0.0 4.02 76 67 A 13 LEU HA A 13 LEU HG 1.0 0.0 4.18 77 68 A 5 GLN HA A 8 THR HG2% 1.0 0.0 2.87 78 69 B 27 THR HA B 27 THR HG2% 1.0 0.0 3.05 79 70 B 30 THR HA B 30 THR HG2% 1.0 0.0 3.79 80 71 A 15 GLN HA A 18 ASN HD2x 1.0 0.0 4.30 81 72 B 5 HIS HD2 B 5 HIS HBx 1.0 0.0 3.94 82 73 B 21 GLU H B 21 GLU HGx 1.0 0.0 3.92 83 73 B 21 GLU H B 21 GLU HGy 1.0 0.0 3.92 84 74 B 4 GLN H B 4 GLN HGy 1.0 0.0 4.19 85 75 B 4 GLN H B 4 GLN HGx 1.0 0.0 4.19 86 76 B 4 GLN H B 4 GLN HBx 1.0 0.0 4.09 87 77 B 4 GLN H B 4 GLN HBy 1.0 0.0 4.09 88 78 A 4 GLU H A 4 GLU HGx 1.0 0.0 3.85 89 78 A 4 GLU H A 4 GLU HGy 1.0 0.0 3.85 90 79 A 16 LEU HBy B 18 VAL HGy% 1.0 0.0 3.74 91 80 B 22 ARG HE B 22 ARG HBx 1.0 0.0 3.73 92 80 B 22 ARG HBy B 22 ARG HE 1.0 0.0 3.73 93 81 B 22 ARG HE B 22 ARG HGx 1.0 0.0 3.80 94 81 B 22 ARG HE B 22 ARG HGy 1.0 0.0 3.80 95 82 B 9 SER HA B 9 SER HBx 1.0 0.0 2.67 96 82 B 9 SER HBy B 9 SER HA 1.0 0.0 2.67 97 83 B 27 THR HB B 28 PRO HDy 1.0 0.0 3.65 98 84 B 27 THR HA B 28 PRO HDy 1.0 0.0 3.49 99 85 B 27 THR HB B 28 PRO HDx 1.0 0.0 3.65 100 86 B 27 THR HA B 28 PRO HDx 1.0 0.0 3.49 101 87 B 11 LEU HA B 11 LEU HDx% 1.0 0.0 3.69 102 88 B 11 LEU HA B 11 LEU HDy% 1.0 0.0 3.69 103 89 A 4 GLU HA A 4 GLU HGx 1.0 0.0 3.63 104 89 A 4 GLU HGy A 4 GLU HA 1.0 0.0 3.63 105 90 A 5 GLN HA A 5 GLN HGy 1.0 0.0 4.13 106 91 A 5 GLN HA A 5 GLN HGx 1.0 0.0 4.13 107 92 B 6 LEU H B 5 HIS HBy 1.0 0.0 4.86 108 93 B 6 LEU H B 5 HIS HBx 1.0 0.0 4.86 109 94 B 8 GLY H B 7 CYS HBy 1.0 0.0 4.72 110 95 B 8 GLY H B 7 CYS HBx 1.0 0.0 4.72 111 96 B 10 HIS H B 9 SER H 1.0 0.0 3.66 112 97 B 6 LEU H A 7 CYS HA 1.0 0.0 3.95 113 98 B 6 LEU H B 6 LEU HDx% 1.0 0.0 5.17 114 99 B 6 LEU H B 6 LEU HDy% 1.0 0.0 5.17 115 100 A 13 LEU H A 13 LEU HDy% 1.0 0.0 4.25 116 101 A 13 LEU H A 13 LEU HDx% 1.0 0.0 4.25 117 102 A 13 LEU H A 13 LEU HG 1.0 0.0 3.95 118 103 A 13 LEU H A 16 LEU HDx% 1.0 0.0 4.86 119 104 A 13 LEU H A 12 SER HBx 1.0 0.0 3.48 120 105 A 13 LEU H A 14 TYR HA 1.0 0.0 5.64 121 106 A 13 LEU H A 12 SER HBy 1.0 0.0 3.48 122 107 A 13 LEU H A 14 TYR H 1.0 0.0 3.28 123 108 A 13 LEU H A 15 GLN H 1.0 0.0 4.54 124 109 A 13 LEU H B 1 PHE HE% 1.0 0.0 4.79 125 110 A 13 LEU H B 1 PHE HD% 1.0 0.0 5.09 126 111 A 14 TYR H A 14 TYR HD% 1.0 0.0 3.81 127 112 A 12 SER HA A 14 TYR H 1.0 0.0 4.50 128 113 A 14 TYR H A 12 SER HBy 1.0 0.0 3.92 129 114 A 14 TYR HA A 14 TYR HD% 1.0 0.0 3.24 130 115 A 14 TYR HA A 14 TYR HE% 1.0 0.0 4.88 131 116 A 14 TYR HE% A 13 LEU HDy% 1.0 0.0 6.10 132 117 A 14 TYR H A 13 LEU HDx% 1.0 0.0 5.23 133 118 A 14 TYR H A 13 LEU HDy% 1.0 0.0 5.23 134 119 A 15 GLN H A 15 GLN HBx 1.0 0.0 3.73 135 120 A 15 GLN H A 14 TYR HBy 1.0 0.0 4.08 136 121 A 15 GLN H A 14 TYR HBx 1.0 0.0 4.08 137 122 A 15 GLN H A 15 GLN HGy 1.0 0.0 3.83 138 123 A 15 GLN H A 15 GLN HBy 1.0 0.0 3.50 139 124 A 15 GLN H A 15 GLN HGx 1.0 0.0 3.83 140 125 A 13 LEU HA A 15 GLN H 1.0 0.0 5.07 141 126 A 15 GLN H A 14 TYR HD% 1.0 0.0 4.46 142 127 A 14 TYR H A 15 GLN H 1.0 0.0 3.79 143 128 A 15 GLN HA A 18 ASN HBy 1.0 0.0 4.46 144 129 A 15 GLN HA A 18 ASN HBx 1.0 0.0 4.46 145 130 A 15 GLN H A 16 LEU H 1.0 0.0 3.19 146 131 A 14 TYR H A 16 LEU H 1.0 0.0 4.45 147 132 A 18 ASN H A 16 LEU H 1.0 0.0 4.67 148 133 A 16 LEU H A 19 TYR HD% 1.0 0.0 5.55 149 134 A 13 LEU HA A 16 LEU H 1.0 0.0 3.85 150 135 A 15 GLN HBy A 16 LEU H 1.0 0.0 3.65 151 136 A 15 GLN HBx A 16 LEU H 1.0 0.0 4.01 152 137 A 16 LEU HA A 16 LEU HG 1.0 0.0 4.10 153 138 A 16 LEU HBy A 16 LEU H 1.0 0.0 3.30 154 139 A 16 LEU H A 16 LEU HG 1.0 0.0 3.43 155 140 A 16 LEU H A 16 LEU HBx 1.0 0.0 3.77 156 141 A 16 LEU HA A 16 LEU HDy% 1.0 0.0 3.09 157 142 A 16 LEU HDx% A 16 LEU HA 1.0 0.0 4.03 158 143 A 16 LEU HBy B 18 VAL HGx% 1.0 0.0 3.74 159 144 A 16 LEU HBy A 16 LEU HDy% 1.0 0.0 3.48 160 145 A 16 LEU HDx% A 16 LEU HBx 1.0 0.0 3.56 161 146 A 16 LEU HBx A 16 LEU HDy% 1.0 0.0 3.42 162 147 A 16 LEU HBy B 15 LEU HDy% 1.0 0.0 4.39 163 148 A 16 LEU HBx B 15 LEU HDy% 1.0 0.0 3.82 164 149 A 16 LEU HDx% A 16 LEU H 1.0 0.0 3.86 165 150 A 16 LEU H A 16 LEU HDy% 1.0 0.0 3.73 166 151 A 19 TYR H A 17 GLU H 1.0 0.0 4.52 167 152 A 15 GLN H A 17 GLU H 1.0 0.0 4.63 168 153 A 18 ASN H A 17 GLU H 1.0 0.0 3.22 169 154 A 14 TYR HA A 17 GLU H 1.0 0.0 3.93 170 155 A 15 GLN HA A 17 GLU H 1.0 0.0 4.95 171 156 A 13 LEU HA A 17 GLU H 1.0 0.0 4.31 172 157 A 17 GLU H A 17 GLU HGy 1.0 0.0 3.71 173 158 A 17 GLU H A 17 GLU HGx 1.0 0.0 3.71 174 159 A 17 GLU H A 17 GLU HBy 1.0 0.0 3.64 175 160 A 17 GLU H A 17 GLU HBx 1.0 0.0 3.64 176 161 A 16 LEU HBy A 17 GLU H 1.0 0.0 3.66 177 162 A 16 LEU HBx A 17 GLU H 1.0 0.0 3.78 178 163 A 16 LEU HG A 17 GLU H 1.0 0.0 4.50 179 164 A 17 GLU H B 18 VAL HGy% 1.0 0.0 4.55 180 165 A 16 LEU HDx% A 17 GLU H 1.0 0.0 4.60 181 166 A 16 LEU HDy% A 17 GLU H 1.0 0.0 5.50 182 167 A 17 GLU H B 18 VAL HGx% 1.0 0.0 4.55 183 168 A 18 ASN H A 17 GLU HBy 1.0 0.0 4.13 184 169 A 18 ASN H A 17 GLU HBx 1.0 0.0 4.13 185 170 A 15 GLN HA A 18 ASN HD2y 1.0 0.0 4.30 186 171 A 18 ASN H A 15 GLN HA 1.0 0.0 3.95 187 172 A 19 TYR HD% A 19 TYR HA 1.0 0.0 3.11 188 173 A 19 TYR H A 16 LEU HA 1.0 0.0 4.13 189 174 A 19 TYR H A 17 GLU HA 1.0 0.0 4.42 190 175 A 19 TYR HD% A 16 LEU HA 1.0 0.0 3.06 191 176 A 19 TYR HA A 19 TYR HE% 1.0 0.0 4.91 192 177 B 16 TYR HA B 16 TYR HE% 1.0 0.0 5.00 193 178 A 16 LEU HA A 19 TYR HE% 1.0 0.0 3.66 194 179 B 16 TYR HE% B 17 LEU HA 1.0 0.0 4.73 195 180 A 19 TYR H A 19 TYR HD% 1.0 0.0 3.29 196 181 A 18 ASN H A 19 TYR H 1.0 0.0 3.19 197 182 A 20 CYS H A 19 TYR H 1.0 0.0 3.37 198 183 A 19 TYR H A 19 TYR HE% 1.0 0.0 4.71 199 184 A 19 TYR HE% A 18 ASN HBy 1.0 0.0 4.77 200 185 A 19 TYR HE% A 18 ASN HBx 1.0 0.0 4.77 201 186 A 19 TYR HD% A 18 ASN HBy 1.0 0.0 4.78 202 187 A 19 TYR HD% A 18 ASN HBx 1.0 0.0 4.78 203 188 A 19 TYR H A 18 ASN HBy 1.0 0.0 4.34 204 189 A 19 TYR H A 18 ASN HBx 1.0 0.0 4.34 205 190 A 19 TYR HE% B 11 LEU HG 1.0 0.0 5.82 206 191 A 19 TYR HE% A 2 ILE HD1% 1.0 0.0 3.98 207 192 B 15 LEU HDy% A 19 TYR HE% 1.0 0.0 4.45 208 193 A 19 TYR HD% B 15 LEU HDy% 1.0 0.0 3.34 209 194 A 19 TYR H A 16 LEU HDy% 1.0 0.0 5.42 210 195 A 19 TYR H B 15 LEU HDy% 1.0 0.0 4.64 211 196 B 27 THR HG2% B 27 THR H 1.0 0.0 3.38 212 197 B 15 LEU HDx% A 19 TYR HE% 1.0 0.0 4.41 213 198 B 15 LEU HDx% A 19 TYR HD% 1.0 0.0 4.17 214 199 A 19 TYR H B 15 LEU HDx% 1.0 0.0 5.63 215 200 A 16 LEU HDy% A 19 TYR HE% 1.0 0.0 3.95 216 201 A 10 ILE HG2% B 4 GLN HA 1.0 0.0 4.00 217 202 B 4 GLN HA A 10 ILE HD1% 1.0 0.0 3.78 218 203 A 20 CYS H A 19 TYR HD% 1.0 0.0 4.52 219 204 A 18 ASN H B 15 LEU HDy% 1.0 0.0 6.18 220 205 A 20 CYS H B 15 LEU HDy% 1.0 0.0 6.41 221 206 A 21 ASN H A 20 CYS H 1.0 0.0 4.62 222 207 A 21 ASN H A 20 CYS HBy 1.0 0.0 3.85 223 208 A 21 ASN H B 22 ARG HBx 1.0 0.0 4.37 224 208 A 21 ASN H B 22 ARG HBy 1.0 0.0 4.37 225 209 A 2 ILE HG2% A 3 VAL H 1.0 0.0 3.19 226 210 A 2 ILE HD1% A 3 VAL H 1.0 0.0 4.90 227 211 B 2 VAL H B 2 VAL HGx% 1.0 0.0 3.50 228 211 B 2 VAL H B 2 VAL HG21 1.0 0.0 3.50 229 212 A 3 VAL H A 2 ILE HB 1.0 0.0 4.45 230 213 A 3 VAL H A 3 VAL HB 1.0 0.0 3.10 231 214 A 4 GLU H A 3 VAL HB 1.0 0.0 3.39 232 215 A 4 GLU H A 4 GLU HBx 1.0 0.0 3.12 233 215 A 4 GLU H A 4 GLU HBy 1.0 0.0 3.12 234 216 A 3 VAL H A 1 GLY HAx 1.0 0.0 3.67 235 216 A 1 GLY HAy A 3 VAL H 1.0 0.0 3.67 236 217 B 2 VAL H B 1 PHE HBx 1.0 0.0 3.94 237 217 B 2 VAL H B 1 PHE HBy 1.0 0.0 3.94 238 218 B 2 VAL H B 1 PHE HD% 1.0 0.0 4.30 239 219 B 2 VAL H B 1 PHE HE% 1.0 0.0 4.73 240 220 A 10 ILE HG2% B 3 ASN HA 1.0 0.0 3.93 241 221 B 3 ASN HA B 2 VAL HGx% 1.0 0.0 4.68 242 221 B 3 ASN HA B 2 VAL HG21 1.0 0.0 4.68 243 222 B 2 VAL HA B 3 ASN HA 1.0 0.0 4.55 244 223 B 3 ASN HD2x B 3 ASN HBx 1.0 0.0 3.44 245 223 B 3 ASN HBy B 3 ASN HD2x 1.0 0.0 3.44 246 224 B 3 ASN HD2y B 3 ASN HBx 1.0 0.0 3.44 247 224 B 3 ASN HBy B 3 ASN HD2y 1.0 0.0 3.44 248 225 A 10 ILE HG2% B 3 ASN HD2y 1.0 0.0 4.89 249 226 A 21 ASN HA A 21 ASN HD2y 1.0 0.0 5.01 250 227 B 2 VAL H B 3 ASN H 1.0 0.0 4.54 251 228 B 3 ASN H B 3 ASN HD2y 1.0 0.0 4.63 252 229 B 3 ASN H B 1 PHE HD% 1.0 0.0 4.77 253 230 B 3 ASN H B 3 ASN HD2x 1.0 0.0 4.63 254 231 B 3 ASN H B 2 VAL HB 1.0 0.0 4.31 255 232 B 3 ASN H B 2 VAL HGx% 1.0 0.0 3.34 256 232 B 3 ASN H B 2 VAL HG21 1.0 0.0 3.34 257 233 A 10 ILE HG2% B 3 ASN H 1.0 0.0 4.91 258 234 B 4 GLN H A 10 ILE HD1% 1.0 0.0 4.57 259 235 B 25 PHE H B 25 PHE HD% 1.0 0.0 4.47 260 236 B 25 PHE H B 24 PHE HD% 1.0 0.0 4.11 261 237 B 25 PHE H B 24 PHE H 1.0 0.0 4.49 262 238 A 6 CYS H A 2 ILE HA 1.0 0.0 4.52 263 239 A 6 CYS H A 4 GLU HA 1.0 0.0 4.75 264 240 B 7 CYS H B 10 HIS HBy 1.0 0.0 3.93 265 241 A 6 CYS H A 6 CYS HBy 1.0 0.0 4.09 266 242 B 7 CYS H B 10 HIS HBx 1.0 0.0 3.93 267 243 A 6 CYS H A 5 GLN HBy 1.0 0.0 3.96 268 244 A 6 CYS H A 5 GLN HBx 1.0 0.0 3.96 269 245 B 7 CYS H B 6 LEU HBy 1.0 0.0 4.45 270 246 B 7 CYS H B 6 LEU HBx 1.0 0.0 4.45 271 247 A 6 CYS H B 11 LEU HDx% 1.0 0.0 4.99 272 248 A 6 CYS H B 11 LEU HDy% 1.0 0.0 4.99 273 249 A 6 CYS H A 8 THR HG2% 1.0 0.0 4.68 274 250 B 10 HIS H B 9 SER HBx 1.0 0.0 3.81 275 250 B 10 HIS H B 9 SER HBy 1.0 0.0 3.81 276 251 B 6 LEU HA B 10 HIS HE1 1.0 0.0 5.93 277 252 B 10 HIS HE1 B 10 HIS HA 1.0 0.0 6.49 278 253 B 10 HIS HD2 B 9 SER HBx 1.0 0.0 4.32 279 253 B 9 SER HBy B 10 HIS HD2 1.0 0.0 4.32 280 254 B 10 HIS HA B 10 HIS HD2 1.0 0.0 3.45 281 255 B 10 HIS H B 8 GLY HAy 1.0 0.0 4.52 282 256 B 10 HIS H B 10 HIS HD2 1.0 0.0 4.09 283 257 B 10 HIS H B 12 VAL H 1.0 0.0 4.60 284 258 B 10 HIS H B 11 LEU H 1.0 0.0 3.34 285 259 B 27 THR HG2% B 28 PRO HDx 1.0 0.0 4.50 286 260 B 9 SER HA B 10 HIS HA 1.0 0.0 4.85 287 261 B 11 LEU H B 11 LEU HBy 1.0 0.0 3.88 288 262 B 11 LEU H B 11 LEU HBx 1.0 0.0 4.11 289 263 B 11 LEU H B 11 LEU HDx% 1.0 0.0 5.50 290 264 B 11 LEU HG B 11 LEU H 1.0 0.0 4.65 291 265 B 12 VAL H B 12 VAL HB 1.0 0.0 3.70 292 266 B 11 LEU HG B 12 VAL H 1.0 0.0 5.33 293 267 B 15 LEU HBy B 12 VAL H 1.0 0.0 5.80 294 268 B 12 VAL H B 11 LEU HBx 1.0 0.0 4.45 295 269 B 12 VAL H B 11 LEU HDx% 1.0 0.0 4.83 296 270 B 12 VAL H B 11 LEU HDy% 1.0 0.0 4.83 297 271 B 12 VAL H B 11 LEU HBy 1.0 0.0 3.96 298 272 B 9 SER HA B 12 VAL H 1.0 0.0 4.09 299 273 B 17 LEU HA B 16 TYR HD% 1.0 0.0 4.30 300 274 B 16 TYR HA B 16 TYR HD% 1.0 0.0 3.28 301 275 B 10 HIS HA B 13 GLU H 1.0 0.0 3.79 302 276 B 13 GLU H B 16 TYR HBx 1.0 0.0 4.95 303 276 B 16 TYR HBy B 13 GLU H 1.0 0.0 4.95 304 277 B 13 GLU H B 13 GLU HGx 1.0 0.0 3.49 305 277 B 13 GLU H B 13 GLU HGy 1.0 0.0 3.49 306 278 B 13 GLU H B 13 GLU HBy 1.0 0.0 3.23 307 279 B 13 GLU H B 13 GLU HBx 1.0 0.0 3.57 308 280 B 12 VAL HB B 13 GLU H 1.0 0.0 4.10 309 281 B 14 ALA HB% B 13 GLU H 1.0 0.0 4.46 310 282 B 14 ALA H B 13 GLU H 1.0 0.0 3.24 311 283 B 12 VAL H B 13 GLU H 1.0 0.0 3.36 312 284 B 11 LEU H B 13 GLU H 1.0 0.0 4.56 313 285 B 14 ALA H B 10 HIS HA 1.0 0.0 4.33 314 286 B 20 GLY H B 16 TYR HA 1.0 0.0 4.18 315 287 B 14 ALA H B 12 VAL HA 1.0 0.0 5.73 316 288 B 20 GLY H B 19 CYS HBy 1.0 0.0 4.13 317 289 B 14 ALA H B 16 TYR HBx 1.0 0.0 5.47 318 289 B 16 TYR HBy B 14 ALA H 1.0 0.0 5.47 319 290 B 20 GLY H B 16 TYR HBx 1.0 0.0 5.84 320 290 B 16 TYR HBy B 20 GLY H 1.0 0.0 5.84 321 291 B 20 GLY H B 19 CYS HBx 1.0 0.0 4.13 322 292 B 14 ALA H B 13 GLU HGx 1.0 0.0 4.32 323 292 B 14 ALA H B 13 GLU HGy 1.0 0.0 4.32 324 293 B 14 ALA H B 13 GLU HBy 1.0 0.0 3.70 325 294 B 14 ALA H B 13 GLU HBx 1.0 0.0 3.57 326 295 B 14 ALA H A 16 LEU HDy% 1.0 0.0 5.94 327 296 B 14 ALA H B 15 LEU HBy 1.0 0.0 5.17 328 297 B 14 ALA H B 12 VAL H 1.0 0.0 4.86 329 298 B 20 GLY H B 16 TYR HD% 1.0 0.0 5.27 330 299 B 14 ALA HB% B 15 LEU H 1.0 0.0 3.12 331 300 B 15 LEU H B 15 LEU HG 1.0 0.0 3.43 332 301 B 15 LEU HA B 15 LEU HDy% 1.0 0.0 2.97 333 302 B 15 LEU H B 15 LEU HBx 1.0 0.0 3.75 334 303 B 15 LEU H B 15 LEU HDy% 1.0 0.0 3.72 335 304 B 15 LEU H B 15 LEU HDx% 1.0 0.0 3.88 336 305 B 15 LEU HA B 18 VAL HGx% 1.0 0.0 4.55 337 306 B 14 ALA H B 15 LEU H 1.0 0.0 3.24 338 307 B 15 LEU HBy B 15 LEU HDx% 1.0 0.0 3.33 339 308 B 15 LEU HBy B 15 LEU HDy% 1.0 0.0 3.54 340 309 B 14 ALA HB% B 6 LEU HDy% 1.0 0.0 3.32 341 310 B 17 LEU H B 16 TYR HBx 1.0 0.0 3.60 342 310 B 16 TYR HBy B 17 LEU H 1.0 0.0 3.60 343 311 B 16 TYR H B 15 LEU HBx 1.0 0.0 3.99 344 312 B 16 TYR H B 15 LEU HDy% 1.0 0.0 4.65 345 313 B 16 TYR H B 15 LEU HDx% 1.0 0.0 4.81 346 314 B 16 TYR H B 12 VAL HGx% 1.0 0.0 6.50 347 315 B 16 TYR H B 12 VAL HGy% 1.0 0.0 6.50 348 316 B 16 TYR H B 14 ALA HB% 1.0 0.0 5.11 349 317 B 16 TYR H B 15 LEU HG 1.0 0.0 5.51 350 318 B 16 TYR H B 15 LEU HBy 1.0 0.0 3.71 351 319 B 16 TYR HE% B 17 LEU HG 1.0 0.0 4.75 352 320 B 16 TYR H B 16 TYR HD% 1.0 0.0 4.40 353 321 B 16 TYR H B 24 PHE HE% 1.0 0.0 4.06 354 322 B 16 TYR H B 17 LEU H 1.0 0.0 3.43 355 323 B 16 TYR H B 14 ALA H 1.0 0.0 4.43 356 324 B 16 TYR H B 15 LEU H 1.0 0.0 3.23 357 325 B 17 LEU H B 17 LEU HBx 1.0 0.0 3.68 358 326 B 17 LEU H B 17 LEU HG 1.0 0.0 3.91 359 327 B 17 LEU H B 17 LEU HBy 1.0 0.0 3.90 360 328 B 17 LEU H B 17 LEU HDx% 1.0 0.0 5.10 361 329 B 17 LEU H B 17 LEU HDy% 1.0 0.0 5.10 362 330 B 17 LEU HBy B 17 LEU HDx% 1.0 0.0 3.55 363 331 B 17 LEU HBy B 17 LEU HDy% 1.0 0.0 3.55 364 332 B 17 LEU HBy B 18 VAL H 1.0 0.0 3.77 365 333 B 17 LEU HBx B 18 VAL H 1.0 0.0 3.75 366 334 B 16 TYR HA B 18 VAL H 1.0 0.0 5.02 367 335 B 18 VAL H B 18 VAL HB 1.0 0.0 3.06 368 336 B 17 LEU HG B 18 VAL H 1.0 0.0 4.89 369 337 B 18 VAL H B 18 VAL HGx% 1.0 0.0 3.89 370 338 B 18 VAL H B 18 VAL HGy% 1.0 0.0 3.89 371 339 B 21 GLU H B 22 ARG H 1.0 0.0 3.51 372 340 B 17 LEU H B 18 VAL H 1.0 0.0 3.58 373 341 B 20 GLY H B 21 GLU H 1.0 0.0 4.54 374 342 B 16 TYR H B 18 VAL H 1.0 0.0 4.59 375 343 B 19 CYS H B 20 GLY HAx 1.0 0.0 4.29 376 343 B 20 GLY HAy B 19 CYS H 1.0 0.0 4.29 377 344 B 19 CYS H B 18 VAL HB 1.0 0.0 4.06 378 345 B 19 CYS H B 15 LEU HDy% 1.0 0.0 5.37 379 346 B 19 CYS H B 18 VAL HGx% 1.0 0.0 4.13 380 347 B 19 CYS H B 18 VAL HGy% 1.0 0.0 4.13 381 348 B 19 CYS H B 17 LEU H 1.0 0.0 4.78 382 349 B 20 GLY H B 19 CYS H 1.0 0.0 3.13 383 350 B 19 CYS H B 18 VAL H 1.0 0.0 3.16 384 351 B 4 GLN H B 5 HIS H 1.0 0.0 4.50 385 352 B 5 HIS H B 5 HIS HD2 1.0 0.0 3.52 386 353 B 24 PHE H B 24 PHE HE% 1.0 0.0 4.60 387 354 B 24 PHE H B 24 PHE HD% 1.0 0.0 3.42 388 355 A 7 CYS H A 4 GLU HA 1.0 0.0 4.68 389 356 B 22 ARG H B 22 ARG HGx 1.0 0.0 3.48 390 356 B 22 ARG HGy B 22 ARG H 1.0 0.0 3.48 391 357 B 22 ARG H B 21 GLU HBy 1.0 0.0 4.22 392 358 B 22 ARG H B 21 GLU HBx 1.0 0.0 4.22 393 359 B 22 ARG H B 22 ARG HBx 1.0 0.0 3.16 394 359 B 22 ARG HBy B 22 ARG H 1.0 0.0 3.16 395 360 B 22 ARG H B 23 GLY H 1.0 0.0 3.24 396 361 B 23 GLY H B 19 CYS HBy 1.0 0.0 4.92 397 362 B 23 GLY H B 22 ARG HBx 1.0 0.0 4.00 398 362 B 22 ARG HBy B 23 GLY H 1.0 0.0 4.00 399 363 B 23 GLY H B 22 ARG HGx 1.0 0.0 4.84 400 363 B 22 ARG HGy B 23 GLY H 1.0 0.0 4.84 401 364 B 20 GLY H B 23 GLY H 1.0 0.0 4.79 402 365 B 24 PHE H B 23 GLY H 1.0 0.0 5.39 403 366 B 24 PHE HD% B 12 VAL HA 1.0 0.0 4.50 404 367 B 12 VAL HB B 24 PHE HE% 1.0 0.0 4.57 405 368 B 24 PHE HE% B 16 TYR HBx 1.0 0.0 3.79 406 368 B 16 TYR HBy B 24 PHE HE% 1.0 0.0 3.79 407 369 B 15 LEU HDy% B 24 PHE HD% 1.0 0.0 4.79 408 370 B 15 LEU HDy% B 24 PHE HE% 1.0 0.0 5.38 409 371 B 15 LEU HDx% B 24 PHE HE% 1.0 0.0 3.83 410 372 B 15 LEU HDx% B 24 PHE HD% 1.0 0.0 3.61 411 373 B 15 LEU HBy B 24 PHE HE% 1.0 0.0 4.01 412 374 B 15 LEU HBy B 24 PHE HD% 1.0 0.0 4.12 413 375 B 15 LEU HBx B 24 PHE HE% 1.0 0.0 4.11 414 376 B 24 PHE HD% B 15 LEU HBx 1.0 0.0 4.16 415 377 B 12 VAL HA B 24 PHE HE% 1.0 0.0 4.08 416 378 B 24 PHE HD% B 23 GLY HAx 1.0 0.0 4.63 417 379 B 24 PHE H B 23 GLY HAx 1.0 0.0 3.21 418 380 B 24 PHE H B 23 GLY HAy 1.0 0.0 3.21 419 381 B 24 PHE HD% B 23 GLY HAy 1.0 0.0 4.63 420 382 B 16 TYR HA B 24 PHE HD% 1.0 0.0 4.23 421 383 B 24 PHE HD% B 24 PHE HA 1.0 0.0 3.75 422 384 B 24 PHE HD% B 25 PHE HA 1.0 0.0 4.47 423 385 B 24 PHE HE% B 24 PHE HA 1.0 0.0 5.79 424 386 B 27 THR HG2% B 25 PHE HE% 1.0 0.0 3.90 425 387 B 27 THR HG2% B 25 PHE HD% 1.0 0.0 4.43 426 388 B 1 PHE HD% A 13 LEU HDx% 1.0 0.0 4.32 427 389 B 1 PHE HD% A 13 LEU HDy% 1.0 0.0 4.32 428 390 A 16 LEU HDx% B 1 PHE HZ 1.0 0.0 4.37 429 391 B 1 PHE HZ A 13 LEU HDx% 1.0 0.0 5.82 430 392 A 16 LEU HDy% B 1 PHE HZ 1.0 0.0 5.24 431 393 B 1 PHE HE% B 18 VAL HGy% 1.0 0.0 5.01 432 394 B 1 PHE HE% A 16 LEU HDx% 1.0 0.0 3.95 433 395 B 1 PHE HE% A 13 LEU HDx% 1.0 0.0 4.57 434 396 A 19 TYR HD% A 16 LEU HDy% 1.0 0.0 4.29 435 397 B 1 PHE HD% A 16 LEU HDx% 1.0 0.0 4.82 436 398 B 1 PHE HD% B 2 VAL HGx% 1.0 0.0 5.13 437 398 B 1 PHE HD% B 2 VAL HG21 1.0 0.0 5.13 438 399 B 25 PHE H B 24 PHE HBx 1.0 0.0 3.93 439 400 B 25 PHE H B 24 PHE HBy 1.0 0.0 3.93 440 401 B 25 PHE H B 24 PHE HA 1.0 0.0 3.16 441 402 B 25 PHE HA B 25 PHE HE% 1.0 0.0 4.79 442 403 B 25 PHE HD% B 25 PHE HA 1.0 0.0 3.46 443 404 B 3 ASN HA B 1 PHE HE% 1.0 0.0 4.05 444 405 B 3 ASN HA B 1 PHE HD% 1.0 0.0 4.19 445 406 B 3 ASN HA B 1 PHE HZ 1.0 0.0 5.23 446 407 A 12 SER HA B 1 PHE HE% 1.0 0.0 4.51 447 408 B 27 THR HA B 25 PHE HD% 1.0 0.0 4.56 448 409 B 27 THR HA B 25 PHE HE% 1.0 0.0 4.84 449 410 B 27 THR HB B 27 THR H 1.0 0.0 3.97 450 411 B 27 THR H B 25 PHE HD% 1.0 0.0 4.66 451 412 B 12 VAL HA B 13 GLU HA 1.0 0.0 4.80 452 413 B 13 GLU HA B 16 TYR HBx 1.0 0.0 3.15 453 413 B 16 TYR HBy B 13 GLU HA 1.0 0.0 3.15 454 414 B 13 GLU HA B 13 GLU HGx 1.0 0.0 3.50 455 414 B 13 GLU HGy B 13 GLU HA 1.0 0.0 3.50 456 415 A 17 GLU HA B 18 VAL HGx% 1.0 0.0 4.12 457 416 B 15 LEU H B 16 TYR HBx 1.0 0.0 4.91 458 416 B 16 TYR HBy B 15 LEU H 1.0 0.0 4.91 459 417 B 30 THR H B 30 THR HG2% 1.0 0.0 4.52 460 418 A 6 CYS H A 5 GLN H 1.0 0.0 3.65 461 419 A 7 CYS H A 6 CYS H 1.0 0.0 3.85 462 420 A 8 THR H A 7 CYS H 1.0 0.0 3.58 463 421 B 7 CYS H B 10 HIS H 1.0 0.0 4.71 464 422 A 15 GLN H A 12 SER H 1.0 0.0 4.44 465 423 B 7 CYS H B 10 HIS HD2 1.0 0.0 5.39 466 424 B 19 CYS H B 16 TYR HA 1.0 0.0 4.25 467 425 A 6 CYS H A 7 CYS HA 1.0 0.0 5.54 468 426 B 7 CYS H A 7 CYS HA 1.0 0.0 5.82 469 427 B 16 TYR H B 13 GLU HA 1.0 0.0 3.52 470 428 B 10 HIS H B 8 GLY HAx 1.0 0.0 4.52 471 429 A 7 CYS HBy A 6 CYS H 1.0 0.0 5.02 472 430 A 8 THR H A 7 CYS HBx 1.0 0.0 4.37 473 431 B 16 TYR H B 12 VAL HA 1.0 0.0 4.21 474 432 B 15 LEU H B 12 VAL HA 1.0 0.0 3.83 475 433 B 22 ARG H B 21 GLU HGx 1.0 0.0 4.69 476 433 B 21 GLU HGy B 22 ARG H 1.0 0.0 4.69 477 434 B 5 HIS H B 4 GLN HBy 1.0 0.0 4.11 478 435 B 5 HIS H B 4 GLN HBx 1.0 0.0 4.11 479 436 A 10 ILE H A 10 ILE HG1y 1.0 0.0 4.87 480 437 B 1 PHE HE% B 18 VAL HGx% 1.0 0.0 5.01 481 438 A 10 ILE H A 10 ILE HD1% 1.0 0.0 4.19 482 439 A 10 ILE HG2% B 5 HIS H 1.0 0.0 4.73 483 440 A 10 ILE HG2% B 5 HIS HE1 1.0 0.0 5.47 484 441 B 5 HIS H A 10 ILE HD1% 1.0 0.0 4.18 485 442 A 10 ILE HD1% B 5 HIS HE1 1.0 0.0 3.98 486 443 A 2 ILE H A 2 ILE HD1% 1.0 0.0 4.29 487 444 A 8 THR HG2% A 5 GLN H 1.0 0.0 5.28 488 445 A 7 CYS H A 8 THR HG2% 1.0 0.0 5.50 489 446 A 8 THR H A 8 THR HG2% 1.0 0.0 4.13 490 447 B 15 LEU HDx% A 16 LEU HDy% 1.0 0.0 3.74 491 448 B 15 LEU HDx% B 15 LEU HBx 1.0 0.0 4.01 492 449 B 15 LEU HDy% B 18 VAL HGx% 1.0 0.0 4.43 493 450 A 10 ILE HD1% B 4 GLN HBx 1.0 0.0 5.38 494 451 A 10 ILE HD1% B 3 ASN HBx 1.0 0.0 4.13 495 451 B 3 ASN HBy A 10 ILE HD1% 1.0 0.0 4.13 496 452 B 14 ALA HB% B 13 GLU HBy 1.0 0.0 4.75 497 453 B 14 ALA HB% B 13 GLU HBx 1.0 0.0 4.85 498 454 B 14 ALA HB% B 18 VAL HB 1.0 0.0 5.20 499 455 B 11 LEU HDx% B 6 LEU HBy 1.0 0.0 5.70 500 456 B 6 LEU HBy B 11 LEU HDy% 1.0 0.0 5.70 501 457 A 16 LEU HG B 15 LEU HDy% 1.0 0.0 4.09 502 458 B 14 ALA HB% B 6 LEU HDx% 1.0 0.0 3.32 503 459 B 14 ALA HB% A 16 LEU HDx% 1.0 0.0 3.33 504 460 B 14 ALA HB% A 16 LEU HDy% 1.0 0.0 3.28 505 461 B 14 ALA HB% A 16 LEU HBy 1.0 0.0 5.09 506 462 B 3 ASN HA B 4 GLN HA 1.0 0.0 4.56 507 463 B 3 ASN HA B 3 ASN HBx 1.0 0.0 2.97 508 463 B 3 ASN HA B 3 ASN HBy 1.0 0.0 2.97 509 464 B 2 VAL HA B 3 ASN HBx 1.0 0.0 4.61 510 464 B 2 VAL HA B 3 ASN HBy 1.0 0.0 4.61 511 465 A 4 GLU HA A 3 VAL HGy% 1.0 0.0 5.46 512 466 B 1 PHE HA B 2 VAL HGx% 1.0 0.0 4.22 513 466 B 1 PHE HA B 2 VAL HG21 1.0 0.0 4.22 514 467 A 9 SER HA A 10 ILE HD1% 1.0 0.0 5.09 515 468 B 19 CYS HA B 18 VAL HGy% 1.0 0.0 4.55 516 469 B 19 CYS HA B 18 VAL HGx% 1.0 0.0 4.55 517 470 A 8 THR HG2% A 4 GLU HA 1.0 0.0 4.52 518 471 A 4 GLU HA A 3 VAL HGx% 1.0 0.0 5.46 519 472 A 16 LEU HA B 15 LEU HDy% 1.0 0.0 3.78 520 473 A 17 GLU HA B 18 VAL HGy% 1.0 0.0 4.12 521 474 A 2 ILE HD1% A 2 ILE HA 1.0 0.0 4.24 522 475 B 17 LEU HA B 17 LEU HG 1.0 0.0 4.04 523 476 B 17 LEU HBy B 14 ALA HA 1.0 0.0 3.66 524 477 B 14 ALA HB% B 11 LEU HA 1.0 0.0 3.54 525 478 B 11 LEU HA B 11 LEU HG 1.0 0.0 4.02 526 479 A 13 LEU HA A 16 LEU HBy 1.0 0.0 4.13 527 480 B 15 LEU HBy B 12 VAL HA 1.0 0.0 4.04 528 481 B 15 LEU HG B 12 VAL HA 1.0 0.0 6.05 529 482 B 11 LEU HA B 6 LEU HBx 1.0 0.0 4.29 530 483 B 15 LEU HDx% A 19 TYR HBy 1.0 0.0 4.52 531 484 B 15 LEU HDx% B 12 VAL HA 1.0 0.0 4.12 532 485 B 1 PHE HBy A 13 LEU HDx% 1.0 0.0 4.13 533 485 A 13 LEU HDx% B 1 PHE HBx 1.0 0.0 4.13 534 486 B 1 PHE HBy A 13 LEU HDy% 1.0 0.0 4.13 535 486 A 13 LEU HDy% B 1 PHE HBx 1.0 0.0 4.13 536 487 A 10 ILE HG2% B 3 ASN HBx 1.0 0.0 3.21 537 487 A 10 ILE HG2% B 3 ASN HBy 1.0 0.0 3.21 538 488 A 17 GLU HGy B 18 VAL HGx% 1.0 0.0 4.60 539 489 B 18 VAL HGy% A 17 GLU HGy 1.0 0.0 4.60 540 490 A 8 THR HG2% A 4 GLU HGx 1.0 0.0 4.37 541 490 A 8 THR HG2% A 4 GLU HGy 1.0 0.0 4.37 542 491 A 17 GLU HGx B 18 VAL HGx% 1.0 0.0 4.60 543 492 B 18 VAL HGy% A 17 GLU HGx 1.0 0.0 4.60 544 493 A 15 GLN HBy A 16 LEU HDy% 1.0 0.0 4.02 545 494 B 15 LEU HDx% A 19 TYR HBx 1.0 0.0 4.52 546 495 B 15 LEU HDy% B 18 VAL HB 1.0 0.0 4.12 547 496 A 7 CYS HA B 5 HIS HA 1.0 0.0 4.47 548 497 A 12 SER HA A 13 LEU HA 1.0 0.0 4.67 549 498 A 9 SER HA A 8 THR HG2% 1.0 0.0 4.78 550 499 B 14 ALA HB% B 10 HIS HA 1.0 0.0 4.75 551 500 A 13 LEU HA A 16 LEU HDx% 1.0 0.0 3.69 552 501 B 16 TYR HBy B 12 VAL HGx% 1.0 0.0 5.28 553 501 B 12 VAL HGx% B 16 TYR HBx 1.0 0.0 5.28 554 502 B 16 TYR HBy B 17 LEU HDx% 1.0 0.0 5.93 555 502 B 17 LEU HDx% B 16 TYR HBx 1.0 0.0 5.93 556 503 B 16 TYR HBy B 12 VAL HGy% 1.0 0.0 5.28 557 503 B 12 VAL HGy% B 16 TYR HBx 1.0 0.0 5.28 558 504 B 16 TYR HBx B 17 LEU HDy% 1.0 0.0 5.93 559 504 B 16 TYR HBy B 17 LEU HDy% 1.0 0.0 5.93 560 505 A 16 LEU HBy A 16 LEU HDx% 1.0 0.0 3.40 561 506 B 11 LEU HBx B 11 LEU HDx% 1.0 0.0 3.41 562 507 B 11 LEU HBx B 11 LEU HDy% 1.0 0.0 3.41 563 508 A 2 ILE HD1% A 2 ILE HB 1.0 0.0 3.95 564 509 A 6 CYS HA B 11 LEU HDx% 1.0 0.0 5.60 565 510 A 6 CYS HA B 11 LEU HDy% 1.0 0.0 5.60 566 511 A 13 LEU HA A 16 LEU HG 1.0 0.0 4.70 567 512 A 13 LEU HA A 16 LEU HBx 1.0 0.0 4.82 568 513 B 22 ARG HBx B 22 ARG HDx 1.0 0.0 3.42 569 513 B 22 ARG HBy B 22 ARG HDx 1.0 0.0 3.42 570 513 B 22 ARG HDy B 22 ARG HBx 1.0 0.0 3.42 571 513 B 22 ARG HBy B 22 ARG HDy 1.0 0.0 3.42 572 514 A 8 THR HG2% A 4 GLU HBx 1.0 0.0 4.69 573 514 A 8 THR HG2% A 4 GLU HBy 1.0 0.0 4.69 574 515 A 10 ILE HD1% B 4 GLN HBy 1.0 0.0 5.38 575 516 A 7 CYS HBx A 8 THR HG2% 1.0 0.0 4.46 576 517 B 27 THR HG2% B 28 PRO HDy 1.0 0.0 4.50 577 518 A 16 LEU HDy% B 14 ALA HA 1.0 0.0 5.37 578 519 A 2 ILE HG2% A 1 GLY HAx 1.0 0.0 3.94 579 519 A 1 GLY HAy A 2 ILE HG2% 1.0 0.0 3.94 580 520 B 4 GLN HA B 2 VAL HGx% 1.0 0.0 4.48 581 520 B 4 GLN HA B 2 VAL HG21 1.0 0.0 4.48 582 521 B 1 PHE HE% A 13 LEU HDy% 1.0 0.0 4.57 583 522 B 5 HIS HD2 A 10 ILE HG1y 1.0 0.0 5.18 584 523 A 10 ILE HD1% B 5 HIS HD2 1.0 0.0 3.72 585 524 A 10 ILE HG2% B 5 HIS HD2 1.0 0.0 5.68 586 525 B 10 HIS H B 11 LEU HBy 1.0 0.0 4.68 587 526 B 5 HIS HD2 B 5 HIS HBy 1.0 0.0 3.94 588 527 B 1 PHE HE% B 3 ASN HBx 1.0 0.0 4.78 589 527 B 1 PHE HE% B 3 ASN HBy 1.0 0.0 4.78 590 528 B 1 PHE HD% B 3 ASN HBx 1.0 0.0 5.16 591 528 B 1 PHE HD% B 3 ASN HBy 1.0 0.0 5.16 592 529 B 1 PHE HE% A 13 LEU HA 1.0 0.0 5.16 593 530 B 1 PHE HE% B 18 VAL HA 1.0 0.0 5.54 594 531 B 4 GLN HA B 5 HIS HD2 1.0 0.0 4.85 595 532 B 5 HIS HD2 B 5 HIS HA 1.0 0.0 5.17 596 533 A 14 TYR H A 12 SER HBx 1.0 0.0 3.92 597 534 A 5 GLN HA A 9 SER H 1.0 0.0 5.42 598 535 B 22 ARG H B 20 GLY HAx 1.0 0.0 4.16 599 535 B 20 GLY HAy B 22 ARG H 1.0 0.0 4.16 600 536 A 2 ILE H A 3 VAL H 1.0 0.0 3.49 601 537 A 10 ILE H B 5 HIS HE1 1.0 0.0 4.38 602 538 A 4 GLU H A 5 GLN H 1.0 0.0 4.40 603 539 B 18 VAL H B 19 CYS HA 1.0 0.0 5.70 604 540 B 21 GLU H B 19 CYS HA 1.0 0.0 6.23 605 541 A 9 SER HA B 5 HIS HE1 1.0 0.0 3.05 606 542 A 8 THR HB A 7 CYS H 1.0 0.0 5.10 607 543 B 5 HIS HE1 A 8 THR HA 1.0 0.0 4.92 608 544 B 5 HIS HE1 A 9 SER HBy 1.0 0.0 5.11 609 545 A 8 THR H A 7 CYS HBy 1.0 0.0 4.70 610 546 A 3 VAL HA A 5 GLN H 1.0 0.0 5.21 611 547 A 7 CYS H A 3 VAL HA 1.0 0.0 5.53 612 548 A 7 CYS H A 5 GLN HA 1.0 0.0 4.13 613 549 B 21 GLU H B 19 CYS HBx 1.0 0.0 6.50 614 550 B 18 VAL H B 16 TYR HBx 1.0 0.0 5.31 615 550 B 16 TYR HBy B 18 VAL H 1.0 0.0 5.31 616 551 A 15 GLN HBy A 12 SER H 1.0 0.0 4.22 617 552 A 15 GLN HBx A 12 SER H 1.0 0.0 4.41 618 553 A 8 THR HG2% B 5 HIS HE1 1.0 0.0 5.28 619 554 A 2 ILE H A 2 ILE HB 1.0 0.0 4.21 620 555 B 15 LEU H B 12 VAL HGx% 1.0 0.0 6.47 621 556 B 15 LEU H B 12 VAL HGy% 1.0 0.0 6.47 622 557 A 6 CYS H A 3 VAL HA 1.0 0.0 4.91 623 558 B 5 HIS HE1 A 9 SER HBx 1.0 0.0 5.11 624 559 A 8 THR H A 6 CYS H 1.0 0.0 4.68 625 560 B 22 ARG HE B 22 ARG HA 1.0 0.0 4.83 626 561 B 24 PHE HD% B 12 VAL HB 1.0 0.0 5.67 627 562 A 6 CYS HBx B 11 LEU HDy% 1.0 0.0 4.29 628 563 B 11 LEU HDx% A 6 CYS HBx 1.0 0.0 4.29 629 564 A 6 CYS HBy B 11 LEU HDy% 1.0 0.0 4.29 630 565 B 11 LEU HDx% A 6 CYS HBy 1.0 0.0 4.29 631 566 B 11 LEU HA A 16 LEU HDx% 1.0 0.0 5.39 632 567 B 11 LEU H B 11 LEU HDy% 1.0 0.0 5.50 633 568 A 7 CYS HBy A 8 THR HG2% 1.0 0.0 5.39 634 569 B 15 LEU HDy% B 18 VAL H 1.0 0.0 4.93 635 570 B 4 GLN H B 2 VAL HGx% 1.0 0.0 4.98 636 570 B 4 GLN H B 2 VAL HG21 1.0 0.0 4.98 637 571 B 3 ASN H A 10 ILE HD1% 1.0 0.0 6.29 638 572 B 15 LEU HBx B 18 VAL H 1.0 0.0 5.84 639 573 B 25 PHE H B 15 LEU HDx% 1.0 0.0 5.23 640 574 B 14 ALA H B 15 LEU HDy% 1.0 0.0 5.23 641 575 B 24 PHE H B 15 LEU HDx% 1.0 0.0 5.39 642 576 B 5 HIS HD2 A 10 ILE HG1x 1.0 0.0 5.18 643 577 A 10 ILE H A 10 ILE HG1x 1.0 0.0 4.87 644 578 A 15 GLN H A 16 LEU HDy% 1.0 0.0 5.77 645 579 A 18 ASN H A 16 LEU HDy% 1.0 0.0 5.87 646 580 B 15 LEU HDx% B 12 VAL H 1.0 0.0 5.06 647 581 A 10 ILE HG2% B 3 ASN HD2x 1.0 0.0 4.89 648 582 B 15 LEU HDy% B 12 VAL H 1.0 0.0 6.17 649 583 A 14 TYR HE% A 13 LEU HDx% 1.0 0.0 6.10 650 584 B 1 PHE HZ A 13 LEU HDy% 1.0 0.0 5.82 651 585 B 14 ALA HB% B 12 VAL H 1.0 0.0 5.45 652 586 B 15 LEU HG B 12 VAL H 1.0 0.0 6.01 653 587 B 15 LEU HG B 24 PHE HE% 1.0 0.0 5.11 654 588 B 15 LEU HG B 24 PHE HD% 1.0 0.0 5.07 655 589 A 16 LEU HG A 19 TYR HE% 1.0 0.0 5.22 656 590 B 12 VAL H B 13 GLU HBy 1.0 0.0 4.82 657 591 B 15 LEU HBy A 19 TYR HD% 1.0 0.0 5.78 658 592 A 14 TYR H A 13 LEU HG 1.0 0.0 5.42 659 593 A 15 GLN H A 16 LEU HG 1.0 0.0 5.18 660 594 A 16 LEU HBy A 15 GLN H 1.0 0.0 5.20 661 595 B 1 PHE HE% A 13 LEU HG 1.0 0.0 5.33 662 596 B 15 LEU HG A 19 TYR HE% 1.0 0.0 5.63 663 597 A 14 TYR HE% A 15 GLN HGx 1.0 0.0 6.36 664 598 A 14 TYR HE% A 15 GLN HGy 1.0 0.0 6.36 665 599 B 24 PHE HD% B 25 PHE HBx 1.0 0.0 4.87 666 599 B 25 PHE HBy B 24 PHE HD% 1.0 0.0 4.87 667 600 B 23 GLY H B 19 CYS HBx 1.0 0.0 4.92 668 601 B 21 GLU H B 19 CYS HBy 1.0 0.0 6.50 669 602 B 21 GLU H B 22 ARG HDx 1.0 0.0 6.50 670 602 B 21 GLU H B 22 ARG HDy 1.0 0.0 6.50 671 603 B 3 ASN H B 1 PHE HBx 1.0 0.0 5.68 672 603 B 3 ASN H B 1 PHE HBy 1.0 0.0 5.68 673 604 A 2 ILE HG2% A 2 ILE HA 1.0 0.0 4.14 674 605 A 2 ILE HG2% A 3 VAL HA 1.0 0.0 4.98 675 606 A 21 ASN HA A 21 ASN HD2x 1.0 0.0 5.01 676 607 B 2 VAL HA B 1 PHE HD% 1.0 0.0 4.69 677 608 B 11 LEU HA B 6 LEU HBy 1.0 0.0 4.29 678 609 B 6 LEU HG B 11 LEU HA 1.0 0.0 5.09 679 610 B 15 LEU HA B 18 VAL H 1.0 0.0 3.91 680 611 B 19 CYS H B 15 LEU HA 1.0 0.0 3.91 681 612 B 15 LEU HA B 18 VAL HGy% 1.0 0.0 4.55 682 613 B 16 TYR HA B 16 TYR HBx 1.0 0.0 3.01 683 613 B 16 TYR HBy B 16 TYR HA 1.0 0.0 3.01 684 614 B 21 GLU HA B 21 GLU HGx 1.0 0.0 3.62 685 614 B 21 GLU HGy B 21 GLU HA 1.0 0.0 3.62 686 615 B 15 LEU HDx% A 16 LEU HDx% 1.0 0.0 5.45 687 616 B 15 LEU HDy% B 18 VAL HGy% 1.0 0.0 4.43 688 617 A 16 LEU HDx% B 15 LEU HDy% 1.0 0.0 3.58 689 618 A 16 LEU HDy% B 15 LEU HDy% 1.0 0.0 3.24 690 619 B 2 VAL HGx% B 3 ASN HBx 1.0 0.0 4.39 691 619 B 2 VAL HG21 B 3 ASN HBx 1.0 0.0 4.39 692 619 B 3 ASN HBy B 2 VAL HGx% 1.0 0.0 4.39 693 619 B 3 ASN HBy B 2 VAL HG21 1.0 0.0 4.39 694 620 A 2 ILE HD1% A 1 GLY HAx 1.0 0.0 5.34 695 620 A 1 GLY HAy A 2 ILE HD1% 1.0 0.0 5.34 696 621 A 1 GLY HAx A 3 VAL HGx% 1.0 0.0 4.55 697 621 A 1 GLY HAy A 3 VAL HGx% 1.0 0.0 4.55 698 621 A 3 VAL HGy% A 1 GLY HAx 1.0 0.0 4.55 699 621 A 1 GLY HAy A 3 VAL HGy% 1.0 0.0 4.55 700 622 A 2 ILE H A 2 ILE HG12 1.0 0.0 4.55 701 622 A 2 ILE H A 2 ILE HG13 1.0 0.0 4.55 702 623 A 2 ILE H A 3 VAL HGx% 1.0 0.0 4.43 703 623 A 2 ILE H A 3 VAL HGy% 1.0 0.0 4.43 704 624 A 2 ILE HA A 3 VAL HGx% 1.0 0.0 5.36 705 624 A 2 ILE HA A 3 VAL HGy% 1.0 0.0 5.36 706 625 A 2 ILE HA A 5 GLN HBy 1.0 0.0 4.67 707 625 A 2 ILE HA A 5 GLN HBx 1.0 0.0 4.67 708 626 A 2 ILE HG2% A 2 ILE HG12 1.0 0.0 3.38 709 626 A 2 ILE HG2% A 2 ILE HG13 1.0 0.0 3.38 710 627 A 2 ILE HG2% A 3 VAL HGx% 1.0 0.0 3.81 711 627 A 2 ILE HG2% A 3 VAL HGy% 1.0 0.0 3.81 712 628 A 19 TYR HD% A 2 ILE HG12 1.0 0.0 4.61 713 628 A 19 TYR HD% A 2 ILE HG13 1.0 0.0 4.61 714 629 A 19 TYR HE% A 2 ILE HG12 1.0 0.0 3.69 715 629 A 19 TYR HE% A 2 ILE HG13 1.0 0.0 3.69 716 630 A 3 VAL H A 3 VAL HGx% 1.0 0.0 2.99 717 630 A 3 VAL H A 3 VAL HGy% 1.0 0.0 2.99 718 631 A 3 VAL HA A 3 VAL HGx% 1.0 0.0 2.98 719 631 A 3 VAL HA A 3 VAL HGy% 1.0 0.0 2.98 720 632 A 3 VAL HA B 11 LEU HDy% 1.0 0.0 3.94 721 632 A 3 VAL HA B 11 LEU HDx% 1.0 0.0 3.94 722 633 A 4 GLU H A 3 VAL HGx% 1.0 0.0 3.57 723 633 A 4 GLU H A 3 VAL HGy% 1.0 0.0 3.57 724 634 A 4 GLU HA A 3 VAL HGx% 1.0 0.0 4.14 725 634 A 4 GLU HA A 3 VAL HGy% 1.0 0.0 4.14 726 635 A 3 VAL HGx% A 4 GLU HGx 1.0 0.0 4.71 727 635 A 3 VAL HGy% A 4 GLU HGx 1.0 0.0 4.71 728 635 A 4 GLU HGy A 3 VAL HGx% 1.0 0.0 4.71 729 635 A 4 GLU HGy A 3 VAL HGy% 1.0 0.0 4.71 730 636 A 3 VAL HGy% A 6 CYS HBx 1.0 0.0 4.07 731 636 A 3 VAL HGx% A 6 CYS HBx 1.0 0.0 4.07 732 636 A 6 CYS HBy A 3 VAL HGx% 1.0 0.0 4.07 733 636 A 3 VAL HGy% A 6 CYS HBy 1.0 0.0 4.07 734 637 A 7 CYS H A 3 VAL HGx% 1.0 0.0 4.44 735 637 A 7 CYS H A 3 VAL HGy% 1.0 0.0 4.44 736 638 A 7 CYS HBy A 3 VAL HGx% 1.0 0.0 4.04 737 638 A 7 CYS HBy A 3 VAL HGy% 1.0 0.0 4.04 738 639 A 8 THR H A 3 VAL HGx% 1.0 0.0 5.71 739 639 A 8 THR H A 3 VAL HGy% 1.0 0.0 5.71 740 640 B 11 LEU HBx A 3 VAL HGx% 1.0 0.0 5.75 741 640 B 11 LEU HBx A 3 VAL HGy% 1.0 0.0 5.75 742 641 B 11 LEU HG A 3 VAL HGx% 1.0 0.0 5.08 743 641 B 11 LEU HG A 3 VAL HGy% 1.0 0.0 5.08 744 642 A 4 GLU HA B 11 LEU HDy% 1.0 0.0 5.90 745 642 A 4 GLU HA B 11 LEU HDx% 1.0 0.0 5.90 746 643 A 5 GLN H A 5 GLN HGx 1.0 0.0 4.86 747 643 A 5 GLN H A 5 GLN HGy 1.0 0.0 4.86 748 644 A 5 GLN HA A 5 GLN HGx 1.0 0.0 3.62 749 644 A 5 GLN HA A 5 GLN HGy 1.0 0.0 3.62 750 645 A 8 THR HG2% A 5 GLN HBy 1.0 0.0 5.05 751 645 A 8 THR HG2% A 5 GLN HBx 1.0 0.0 5.05 752 646 A 6 CYS H A 5 GLN HGx 1.0 0.0 4.88 753 646 A 6 CYS H A 5 GLN HGy 1.0 0.0 4.88 754 647 A 6 CYS H A 6 CYS HBx 1.0 0.0 3.55 755 647 A 6 CYS H A 6 CYS HBy 1.0 0.0 3.55 756 648 A 6 CYS H B 11 LEU HDy% 1.0 0.0 4.38 757 648 A 6 CYS H B 11 LEU HDx% 1.0 0.0 4.38 758 649 A 6 CYS HA B 11 LEU HDy% 1.0 0.0 4.41 759 649 A 6 CYS HA B 11 LEU HDx% 1.0 0.0 4.41 760 650 A 6 CYS HBy B 11 LEU HDy% 1.0 0.0 3.25 761 650 B 11 LEU HDx% A 6 CYS HBx 1.0 0.0 3.25 762 650 B 11 LEU HDx% A 6 CYS HBy 1.0 0.0 3.25 763 650 A 6 CYS HBx B 11 LEU HDy% 1.0 0.0 3.25 764 651 A 7 CYS H B 11 LEU HDy% 1.0 0.0 4.82 765 651 A 7 CYS H B 11 LEU HDx% 1.0 0.0 4.82 766 652 A 7 CYS HA B 11 LEU HDy% 1.0 0.0 4.71 767 652 A 7 CYS HA B 11 LEU HDx% 1.0 0.0 4.71 768 653 A 7 CYS HBy B 11 LEU HDy% 1.0 0.0 4.33 769 653 A 7 CYS HBy B 11 LEU HDx% 1.0 0.0 4.33 770 654 A 8 THR HG2% A 9 SER HBx 1.0 0.0 4.71 771 654 A 8 THR HG2% A 9 SER HBy 1.0 0.0 4.71 772 655 A 10 ILE H A 9 SER HBx 1.0 0.0 3.38 773 655 A 10 ILE H A 9 SER HBy 1.0 0.0 3.38 774 656 B 5 HIS HE1 A 9 SER HBx 1.0 0.0 4.42 775 656 B 5 HIS HE1 A 9 SER HBy 1.0 0.0 4.42 776 657 A 10 ILE H A 10 ILE HG1x 1.0 0.0 4.01 777 657 A 10 ILE H A 10 ILE HG1y 1.0 0.0 4.01 778 658 A 10 ILE HB B 3 ASN HD2x 1.0 0.0 5.50 779 658 A 10 ILE HB B 3 ASN HD2y 1.0 0.0 5.50 780 659 A 10 ILE HG2% B 3 ASN HD2x 1.0 0.0 4.31 781 659 A 10 ILE HG2% B 3 ASN HD2y 1.0 0.0 4.31 782 660 B 5 HIS HD2 A 10 ILE HG1x 1.0 0.0 4.52 783 660 B 5 HIS HD2 A 10 ILE HG1y 1.0 0.0 4.52 784 661 B 5 HIS HE1 A 10 ILE HG1x 1.0 0.0 3.68 785 661 B 5 HIS HE1 A 10 ILE HG1y 1.0 0.0 3.68 786 662 A 10 ILE HD1% B 4 GLN HBy 1.0 0.0 4.60 787 662 A 10 ILE HD1% B 4 GLN HBx 1.0 0.0 4.60 788 663 A 12 SER H A 12 SER HBx 1.0 0.0 3.56 789 663 A 12 SER H A 12 SER HBy 1.0 0.0 3.56 790 664 A 12 SER H A 15 GLN HGx 1.0 0.0 4.33 791 664 A 12 SER H A 15 GLN HGy 1.0 0.0 4.33 792 665 A 13 LEU H A 12 SER HBx 1.0 0.0 2.95 793 665 A 13 LEU H A 12 SER HBy 1.0 0.0 2.95 794 666 A 14 TYR H A 12 SER HBx 1.0 0.0 3.40 795 666 A 14 TYR H A 12 SER HBy 1.0 0.0 3.40 796 667 A 14 TYR HD% A 12 SER HBx 1.0 0.0 3.23 797 667 A 14 TYR HD% A 12 SER HBy 1.0 0.0 3.23 798 668 A 15 GLN H A 12 SER HBx 1.0 0.0 4.52 799 668 A 15 GLN H A 12 SER HBy 1.0 0.0 4.52 800 669 A 13 LEU H A 13 LEU HBy 1.0 0.0 2.99 801 669 A 13 LEU H A 13 LEU HBx 1.0 0.0 2.99 802 670 A 13 LEU H A 13 LEU HDy% 1.0 0.0 3.64 803 670 A 13 LEU H A 13 LEU HDx% 1.0 0.0 3.64 804 671 A 13 LEU HA A 13 LEU HDy% 1.0 0.0 2.88 805 671 A 13 LEU HA A 13 LEU HDx% 1.0 0.0 2.88 806 672 A 13 LEU HA B 18 VAL HGx% 1.0 0.0 3.32 807 672 A 13 LEU HA B 18 VAL HGy% 1.0 0.0 3.32 808 673 A 14 TYR H A 13 LEU HBy 1.0 0.0 3.61 809 673 A 14 TYR H A 13 LEU HBx 1.0 0.0 3.61 810 674 A 14 TYR HD% A 13 LEU HDy% 1.0 0.0 5.91 811 674 A 14 TYR HD% A 13 LEU HDx% 1.0 0.0 5.91 812 675 A 14 TYR HE% A 13 LEU HDy% 1.0 0.0 4.84 813 675 A 14 TYR HE% A 13 LEU HDx% 1.0 0.0 4.84 814 676 A 17 GLU H A 13 LEU HDy% 1.0 0.0 5.14 815 676 A 17 GLU H A 13 LEU HDx% 1.0 0.0 5.14 816 677 A 13 LEU HDx% A 17 GLU HGx 1.0 0.0 3.94 817 677 A 13 LEU HDy% A 17 GLU HGx 1.0 0.0 3.94 818 677 A 17 GLU HGy A 13 LEU HDy% 1.0 0.0 3.94 819 677 A 13 LEU HDx% A 17 GLU HGy 1.0 0.0 3.94 820 678 B 1 PHE HA A 13 LEU HDy% 1.0 0.0 6.22 821 678 B 1 PHE HA A 13 LEU HDx% 1.0 0.0 6.22 822 679 B 1 PHE HD% A 13 LEU HDy% 1.0 0.0 3.63 823 679 B 1 PHE HD% A 13 LEU HDx% 1.0 0.0 3.63 824 680 B 1 PHE HE% A 13 LEU HDy% 1.0 0.0 3.84 825 680 B 1 PHE HE% A 13 LEU HDx% 1.0 0.0 3.84 826 681 B 1 PHE HZ A 13 LEU HDy% 1.0 0.0 4.73 827 681 B 1 PHE HZ A 13 LEU HDx% 1.0 0.0 4.73 828 682 B 18 VAL H A 13 LEU HDy% 1.0 0.0 5.29 829 682 B 18 VAL H A 13 LEU HDx% 1.0 0.0 5.29 830 683 B 18 VAL HB A 13 LEU HDy% 1.0 0.0 3.95 831 683 B 18 VAL HB A 13 LEU HDx% 1.0 0.0 3.95 832 684 B 19 CYS H A 13 LEU HDy% 1.0 0.0 6.20 833 684 B 19 CYS H A 13 LEU HDx% 1.0 0.0 6.20 834 685 A 14 TYR H A 14 TYR HBx 1.0 0.0 3.08 835 685 A 14 TYR H A 14 TYR HBy 1.0 0.0 3.08 836 686 A 14 TYR H B 18 VAL HGx% 1.0 0.0 5.40 837 686 A 14 TYR H B 18 VAL HGy% 1.0 0.0 5.40 838 687 A 15 GLN H A 14 TYR HBx 1.0 0.0 3.55 839 687 A 15 GLN H A 14 TYR HBy 1.0 0.0 3.55 840 688 A 14 TYR HD% A 15 GLN HGx 1.0 0.0 4.28 841 688 A 14 TYR HD% A 15 GLN HGy 1.0 0.0 4.28 842 689 A 14 TYR HE% A 15 GLN HGx 1.0 0.0 5.60 843 689 A 14 TYR HE% A 15 GLN HGy 1.0 0.0 5.60 844 690 A 15 GLN H A 15 GLN HGx 1.0 0.0 3.33 845 690 A 15 GLN H A 15 GLN HGy 1.0 0.0 3.33 846 691 A 15 GLN HA A 15 GLN HGx 1.0 0.0 3.46 847 691 A 15 GLN HA A 15 GLN HGy 1.0 0.0 3.46 848 692 A 15 GLN HA A 18 ASN HD2x 1.0 0.0 3.75 849 692 A 15 GLN HA A 18 ASN HD2y 1.0 0.0 3.75 850 693 A 15 GLN HBx A 15 GLN HE2x 1.0 0.0 3.99 851 693 A 15 GLN HBx A 15 GLN HE2y 1.0 0.0 3.99 852 694 A 15 GLN HE2x A 15 GLN HGx 1.0 0.0 3.23 853 694 A 15 GLN HGy A 15 GLN HE2x 1.0 0.0 3.23 854 694 A 15 GLN HGy A 15 GLN HE2y 1.0 0.0 3.23 855 694 A 15 GLN HE2y A 15 GLN HGx 1.0 0.0 3.23 856 695 A 16 LEU H A 17 GLU HGx 1.0 0.0 5.13 857 695 A 16 LEU H A 17 GLU HGy 1.0 0.0 5.13 858 696 A 16 LEU H B 18 VAL HGx% 1.0 0.0 5.35 859 696 A 16 LEU H B 18 VAL HGy% 1.0 0.0 5.35 860 697 A 16 LEU HA B 11 LEU HDy% 1.0 0.0 5.30 861 697 A 16 LEU HA B 11 LEU HDx% 1.0 0.0 5.30 862 698 A 16 LEU HBy B 18 VAL HGx% 1.0 0.0 3.26 863 698 A 16 LEU HBy B 18 VAL HGy% 1.0 0.0 3.26 864 699 A 16 LEU HBx B 18 VAL HGx% 1.0 0.0 3.94 865 699 A 16 LEU HBx B 18 VAL HGy% 1.0 0.0 3.94 866 700 A 16 LEU HG B 18 VAL HGx% 1.0 0.0 4.66 867 700 A 16 LEU HG B 18 VAL HGy% 1.0 0.0 4.66 868 701 A 16 LEU HDx% B 18 VAL HGx% 1.0 0.0 3.83 869 701 A 16 LEU HDx% B 18 VAL HGy% 1.0 0.0 3.83 870 702 A 16 LEU HDy% B 18 VAL HGx% 1.0 0.0 3.75 871 702 A 16 LEU HDy% B 18 VAL HGy% 1.0 0.0 3.75 872 703 A 17 GLU H A 17 GLU HBx 1.0 0.0 3.05 873 703 A 17 GLU H A 17 GLU HBy 1.0 0.0 3.05 874 704 A 17 GLU H A 17 GLU HGx 1.0 0.0 3.16 875 704 A 17 GLU H A 17 GLU HGy 1.0 0.0 3.16 876 705 A 17 GLU H B 18 VAL HGx% 1.0 0.0 3.69 877 705 A 17 GLU H B 18 VAL HGy% 1.0 0.0 3.69 878 706 A 17 GLU HA B 18 VAL HGx% 1.0 0.0 3.44 879 706 A 17 GLU HA B 18 VAL HGy% 1.0 0.0 3.44 880 707 A 18 ASN H A 17 GLU HGx 1.0 0.0 5.08 881 707 A 18 ASN H A 17 GLU HGy 1.0 0.0 5.08 882 708 A 17 GLU HGx B 18 VAL HGx% 1.0 0.0 3.21 883 708 A 17 GLU HGy B 18 VAL HGx% 1.0 0.0 3.21 884 708 B 18 VAL HGy% A 17 GLU HGx 1.0 0.0 3.21 885 708 B 18 VAL HGy% A 17 GLU HGy 1.0 0.0 3.21 886 709 A 18 ASN H A 18 ASN HBy 1.0 0.0 2.95 887 709 A 18 ASN H A 18 ASN HBx 1.0 0.0 2.95 888 710 A 18 ASN H A 18 ASN HD2x 1.0 0.0 4.22 889 710 A 18 ASN H A 18 ASN HD2y 1.0 0.0 4.22 890 711 A 18 ASN H B 18 VAL HGx% 1.0 0.0 5.53 891 711 A 18 ASN H B 18 VAL HGy% 1.0 0.0 5.53 892 712 A 19 TYR HD% A 18 ASN HBy 1.0 0.0 4.18 893 712 A 19 TYR HD% A 18 ASN HBx 1.0 0.0 4.18 894 713 A 19 TYR H A 19 TYR HBy 1.0 0.0 3.15 895 713 A 19 TYR H A 19 TYR HBx 1.0 0.0 3.15 896 714 A 19 TYR H A 20 CYS HBy 1.0 0.0 4.74 897 714 A 19 TYR H A 20 CYS HBx 1.0 0.0 4.74 898 715 A 20 CYS H A 19 TYR HBy 1.0 0.0 4.10 899 715 A 20 CYS H A 19 TYR HBx 1.0 0.0 4.10 900 716 B 15 LEU HDx% A 19 TYR HBy 1.0 0.0 3.68 901 716 B 15 LEU HDx% A 19 TYR HBx 1.0 0.0 3.68 902 717 B 15 LEU HDy% A 19 TYR HBy 1.0 0.0 3.39 903 717 B 15 LEU HDy% A 19 TYR HBx 1.0 0.0 3.39 904 718 A 19 TYR HD% B 11 LEU HDy% 1.0 0.0 4.83 905 718 A 19 TYR HD% B 11 LEU HDx% 1.0 0.0 4.83 906 719 A 19 TYR HE% B 11 LEU HDy% 1.0 0.0 5.12 907 719 A 19 TYR HE% B 11 LEU HDx% 1.0 0.0 5.12 908 720 A 19 TYR HE% B 18 VAL HGx% 1.0 0.0 6.35 909 720 A 19 TYR HE% B 18 VAL HGy% 1.0 0.0 6.35 910 721 A 20 CYS H A 20 CYS HBy 1.0 0.0 3.09 911 721 A 20 CYS H A 20 CYS HBx 1.0 0.0 3.09 912 722 A 21 ASN H A 20 CYS HBy 1.0 0.0 3.19 913 722 A 21 ASN H A 20 CYS HBx 1.0 0.0 3.19 914 723 A 20 CYS HBx B 22 ARG HBx 1.0 0.0 5.47 915 723 A 20 CYS HBy B 22 ARG HBx 1.0 0.0 5.47 916 723 B 22 ARG HBy A 20 CYS HBy 1.0 0.0 5.47 917 723 B 22 ARG HBy A 20 CYS HBx 1.0 0.0 5.47 918 724 A 21 ASN H A 21 ASN HBy 1.0 0.0 3.19 919 724 A 21 ASN H A 21 ASN HBx 1.0 0.0 3.19 920 725 A 21 ASN H A 21 ASN HD2x 1.0 0.0 4.64 921 725 A 21 ASN H A 21 ASN HD2y 1.0 0.0 4.64 922 726 A 21 ASN HD2y A 21 ASN HBx 1.0 0.0 3.11 923 726 A 21 ASN HD2x A 21 ASN HBx 1.0 0.0 3.11 924 726 A 21 ASN HD2y A 21 ASN HBy 1.0 0.0 3.11 925 726 A 21 ASN HD2x A 21 ASN HBy 1.0 0.0 3.11 926 727 B 1 PHE HD% B 18 VAL HGx% 1.0 0.0 5.75 927 727 B 1 PHE HD% B 18 VAL HGy% 1.0 0.0 5.75 928 728 B 1 PHE HE% B 6 LEU HDy% 1.0 0.0 4.69 929 728 B 1 PHE HE% B 6 LEU HDx% 1.0 0.0 4.69 930 729 B 1 PHE HE% B 18 VAL HGx% 1.0 0.0 4.16 931 729 B 1 PHE HE% B 18 VAL HGy% 1.0 0.0 4.16 932 730 B 1 PHE HZ B 6 LEU HDy% 1.0 0.0 4.50 933 730 B 1 PHE HZ B 6 LEU HDx% 1.0 0.0 4.50 934 731 B 1 PHE HZ B 18 VAL HGx% 1.0 0.0 5.22 935 731 B 1 PHE HZ B 18 VAL HGy% 1.0 0.0 5.22 936 732 B 3 ASN HD2y B 2 VAL HGx% 1.0 0.0 5.59 937 732 B 3 ASN HD2x B 2 VAL HGx% 1.0 0.0 5.59 938 732 B 2 VAL HG21 B 3 ASN HD2x 1.0 0.0 5.59 939 732 B 2 VAL HG21 B 3 ASN HD2y 1.0 0.0 5.59 940 733 B 2 VAL HG21 B 4 GLN HGx 1.0 0.0 4.36 941 733 B 2 VAL HGx% B 4 GLN HGx 1.0 0.0 4.36 942 733 B 4 GLN HGy B 2 VAL HGx% 1.0 0.0 4.36 943 733 B 2 VAL HG21 B 4 GLN HGy 1.0 0.0 4.36 944 734 B 2 VAL HG21 B 4 GLN HE2x 1.0 0.0 4.16 945 734 B 2 VAL HGx% B 4 GLN HE2x 1.0 0.0 4.16 946 734 B 4 GLN HE2y B 2 VAL HGx% 1.0 0.0 4.16 947 734 B 2 VAL HG21 B 4 GLN HE2y 1.0 0.0 4.16 948 735 B 3 ASN H B 3 ASN HD2x 1.0 0.0 4.05 949 735 B 3 ASN H B 3 ASN HD2y 1.0 0.0 4.05 950 736 B 3 ASN HD2x B 3 ASN HBx 1.0 0.0 2.92 951 736 B 3 ASN HD2y B 3 ASN HBx 1.0 0.0 2.92 952 736 B 3 ASN HBy B 3 ASN HD2x 1.0 0.0 2.92 953 736 B 3 ASN HBy B 3 ASN HD2y 1.0 0.0 2.92 954 737 B 4 GLN H B 4 GLN HGx 1.0 0.0 3.54 955 737 B 4 GLN H B 4 GLN HGy 1.0 0.0 3.54 956 738 B 4 GLN HA B 4 GLN HGx 1.0 0.0 3.63 957 738 B 4 GLN HA B 4 GLN HGy 1.0 0.0 3.63 958 739 B 4 GLN HA B 4 GLN HE2x 1.0 0.0 5.32 959 739 B 4 GLN HA B 4 GLN HE2y 1.0 0.0 5.32 960 740 B 4 GLN HBx B 4 GLN HE2x 1.0 0.0 4.35 961 740 B 4 GLN HE2y B 4 GLN HBy 1.0 0.0 4.35 962 740 B 4 GLN HBx B 4 GLN HE2y 1.0 0.0 4.35 963 740 B 4 GLN HBy B 4 GLN HE2x 1.0 0.0 4.35 964 741 B 5 HIS H B 4 GLN HBy 1.0 0.0 3.40 965 741 B 5 HIS H B 4 GLN HBx 1.0 0.0 3.40 966 742 B 4 GLN HGx B 6 LEU HDy% 1.0 0.0 4.88 967 742 B 4 GLN HGy B 6 LEU HDy% 1.0 0.0 4.88 968 742 B 6 LEU HDx% B 4 GLN HGx 1.0 0.0 4.88 969 742 B 6 LEU HDx% B 4 GLN HGy 1.0 0.0 4.88 970 743 B 4 GLN HE2y B 6 LEU HDy% 1.0 0.0 4.83 971 743 B 4 GLN HE2x B 6 LEU HDy% 1.0 0.0 4.83 972 743 B 6 LEU HDx% B 4 GLN HE2x 1.0 0.0 4.83 973 743 B 6 LEU HDx% B 4 GLN HE2y 1.0 0.0 4.83 974 744 B 5 HIS H B 5 HIS HBx 1.0 0.0 3.12 975 744 B 5 HIS H B 5 HIS HBy 1.0 0.0 3.12 976 745 B 5 HIS HD2 B 5 HIS HBx 1.0 0.0 3.26 977 745 B 5 HIS HD2 B 5 HIS HBy 1.0 0.0 3.26 978 746 B 6 LEU H B 5 HIS HBx 1.0 0.0 4.18 979 746 B 6 LEU H B 5 HIS HBy 1.0 0.0 4.18 980 747 B 5 HIS HBy B 6 LEU HDy% 1.0 0.0 5.02 981 747 B 5 HIS HBx B 6 LEU HDy% 1.0 0.0 5.02 982 747 B 6 LEU HDx% B 5 HIS HBx 1.0 0.0 5.02 983 747 B 6 LEU HDx% B 5 HIS HBy 1.0 0.0 5.02 984 748 B 6 LEU H B 6 LEU HDy% 1.0 0.0 4.33 985 748 B 6 LEU H B 6 LEU HDx% 1.0 0.0 4.33 986 749 B 6 LEU HA B 6 LEU HDy% 1.0 0.0 2.89 987 749 B 6 LEU HA B 6 LEU HDx% 1.0 0.0 2.89 988 750 B 6 LEU HBy B 6 LEU HDy% 1.0 0.0 2.71 989 750 B 6 LEU HBx B 6 LEU HDy% 1.0 0.0 2.71 990 750 B 6 LEU HDx% B 6 LEU HBy 1.0 0.0 2.71 991 750 B 6 LEU HDx% B 6 LEU HBx 1.0 0.0 2.71 992 751 B 7 CYS H B 6 LEU HBy 1.0 0.0 3.67 993 751 B 7 CYS H B 6 LEU HBx 1.0 0.0 3.67 994 752 B 6 LEU HBx B 10 HIS HBx 1.0 0.0 3.53 995 752 B 6 LEU HBy B 10 HIS HBx 1.0 0.0 3.53 996 752 B 10 HIS HBy B 6 LEU HBy 1.0 0.0 3.53 997 752 B 6 LEU HBx B 10 HIS HBy 1.0 0.0 3.53 998 753 B 11 LEU H B 6 LEU HBy 1.0 0.0 4.97 999 753 B 11 LEU H B 6 LEU HBx 1.0 0.0 4.97 1000 754 B 11 LEU HA B 6 LEU HBy 1.0 0.0 3.49 1001 754 B 11 LEU HA B 6 LEU HBx 1.0 0.0 3.49 1002 755 B 11 LEU HBx B 6 LEU HBy 1.0 0.0 6.24 1003 755 B 11 LEU HBx B 6 LEU HBx 1.0 0.0 6.24 1004 756 B 11 LEU HG B 6 LEU HBy 1.0 0.0 5.50 1005 756 B 11 LEU HG B 6 LEU HBx 1.0 0.0 5.50 1006 757 B 6 LEU HBx B 11 LEU HDy% 1.0 0.0 3.35 1007 757 B 6 LEU HBy B 11 LEU HDy% 1.0 0.0 3.35 1008 757 B 11 LEU HDx% B 6 LEU HBy 1.0 0.0 3.35 1009 757 B 11 LEU HDx% B 6 LEU HBx 1.0 0.0 3.35 1010 758 B 11 LEU HDx% B 6 LEU HBx 1.0 0.0 5.70 1011 759 B 6 LEU HBx B 11 LEU HDy% 1.0 0.0 5.70 1012 760 B 14 ALA H B 6 LEU HBy 1.0 0.0 5.36 1013 760 B 14 ALA H B 6 LEU HBx 1.0 0.0 5.36 1014 761 B 7 CYS H B 6 LEU HDy% 1.0 0.0 4.34 1015 761 B 7 CYS H B 6 LEU HDx% 1.0 0.0 4.34 1016 762 B 7 CYS HA B 6 LEU HDy% 1.0 0.0 6.12 1017 762 B 6 LEU HDx% B 7 CYS HA 1.0 0.0 6.12 1018 763 B 6 LEU HDx% B 10 HIS HBx 1.0 0.0 3.17 1019 763 B 10 HIS HBy B 6 LEU HDy% 1.0 0.0 3.17 1020 763 B 6 LEU HDx% B 10 HIS HBy 1.0 0.0 3.17 1021 763 B 6 LEU HDy% B 10 HIS HBx 1.0 0.0 3.17 1022 764 B 10 HIS HD2 B 6 LEU HDy% 1.0 0.0 5.64 1023 764 B 10 HIS HD2 B 6 LEU HDx% 1.0 0.0 5.64 1024 765 B 10 HIS HE1 B 6 LEU HDy% 1.0 0.0 4.85 1025 765 B 10 HIS HE1 B 6 LEU HDx% 1.0 0.0 4.85 1026 766 B 11 LEU H B 6 LEU HDy% 1.0 0.0 5.13 1027 766 B 11 LEU H B 6 LEU HDx% 1.0 0.0 5.13 1028 767 B 11 LEU HA B 6 LEU HDy% 1.0 0.0 4.10 1029 767 B 11 LEU HA B 6 LEU HDx% 1.0 0.0 4.10 1030 768 B 13 GLU H B 6 LEU HDy% 1.0 0.0 6.14 1031 768 B 13 GLU H B 6 LEU HDx% 1.0 0.0 6.14 1032 769 B 14 ALA H B 6 LEU HDy% 1.0 0.0 4.29 1033 769 B 14 ALA H B 6 LEU HDx% 1.0 0.0 4.29 1034 770 B 14 ALA HA B 6 LEU HDy% 1.0 0.0 4.86 1035 770 B 14 ALA HA B 6 LEU HDx% 1.0 0.0 4.86 1036 771 B 14 ALA HB% B 6 LEU HDy% 1.0 0.0 2.78 1037 771 B 14 ALA HB% B 6 LEU HDx% 1.0 0.0 2.78 1038 772 B 15 LEU H B 6 LEU HDy% 1.0 0.0 5.15 1039 772 B 15 LEU H B 6 LEU HDx% 1.0 0.0 5.15 1040 773 B 7 CYS H B 7 CYS HBy 1.0 0.0 3.28 1041 773 B 7 CYS H B 7 CYS HBx 1.0 0.0 3.28 1042 774 B 7 CYS H B 10 HIS HBx 1.0 0.0 3.45 1043 774 B 7 CYS H B 10 HIS HBy 1.0 0.0 3.45 1044 775 B 7 CYS H B 11 LEU HDy% 1.0 0.0 5.03 1045 775 B 7 CYS H B 11 LEU HDx% 1.0 0.0 5.03 1046 776 B 7 CYS HA B 11 LEU HDy% 1.0 0.0 4.33 1047 776 B 11 LEU HDx% B 7 CYS HA 1.0 0.0 4.33 1048 777 B 8 GLY H B 7 CYS HBy 1.0 0.0 3.91 1049 777 B 8 GLY H B 7 CYS HBx 1.0 0.0 3.91 1050 778 B 7 CYS HBx B 11 LEU HDy% 1.0 0.0 4.97 1051 778 B 7 CYS HBy B 11 LEU HDy% 1.0 0.0 4.97 1052 778 B 11 LEU HDx% B 7 CYS HBy 1.0 0.0 4.97 1053 778 B 11 LEU HDx% B 7 CYS HBx 1.0 0.0 4.97 1054 779 B 9 SER H B 8 GLY HAx 1.0 0.0 3.06 1055 779 B 9 SER H B 8 GLY HAy 1.0 0.0 3.06 1056 780 B 10 HIS H B 8 GLY HAx 1.0 0.0 3.90 1057 780 B 10 HIS H B 8 GLY HAy 1.0 0.0 3.90 1058 781 B 9 SER H B 12 VAL HGx% 1.0 0.0 4.96 1059 781 B 9 SER H B 12 VAL HGy% 1.0 0.0 4.96 1060 782 B 9 SER HA B 12 VAL HGx% 1.0 0.0 2.98 1061 782 B 9 SER HA B 12 VAL HGy% 1.0 0.0 2.98 1062 783 B 9 SER HBy B 12 VAL HGx% 1.0 0.0 4.09 1063 783 B 9 SER HBx B 12 VAL HGx% 1.0 0.0 4.09 1064 783 B 12 VAL HGy% B 9 SER HBx 1.0 0.0 4.09 1065 783 B 9 SER HBy B 12 VAL HGy% 1.0 0.0 4.09 1066 784 B 10 HIS H B 12 VAL HGx% 1.0 0.0 4.68 1067 784 B 10 HIS H B 12 VAL HGy% 1.0 0.0 4.68 1068 785 B 11 LEU H B 10 HIS HBx 1.0 0.0 4.35 1069 785 B 11 LEU H B 10 HIS HBy 1.0 0.0 4.35 1070 786 B 10 HIS HBx B 11 LEU HDy% 1.0 0.0 4.33 1071 786 B 10 HIS HBy B 11 LEU HDy% 1.0 0.0 4.33 1072 786 B 11 LEU HDx% B 10 HIS HBx 1.0 0.0 4.33 1073 786 B 11 LEU HDx% B 10 HIS HBy 1.0 0.0 4.33 1074 787 B 14 ALA H B 10 HIS HBx 1.0 0.0 5.20 1075 787 B 14 ALA H B 10 HIS HBy 1.0 0.0 5.20 1076 788 B 14 ALA HB% B 10 HIS HBx 1.0 0.0 5.88 1077 788 B 14 ALA HB% B 10 HIS HBy 1.0 0.0 5.88 1078 789 B 11 LEU H B 11 LEU HDy% 1.0 0.0 4.40 1079 789 B 11 LEU H B 11 LEU HDx% 1.0 0.0 4.40 1080 790 B 11 LEU HA B 11 LEU HDy% 1.0 0.0 2.96 1081 790 B 11 LEU HA B 11 LEU HDx% 1.0 0.0 2.96 1082 791 B 11 LEU HA B 12 VAL HGx% 1.0 0.0 5.74 1083 791 B 11 LEU HA B 12 VAL HGy% 1.0 0.0 5.74 1084 792 B 11 LEU HBx B 11 LEU HDy% 1.0 0.0 2.97 1085 792 B 11 LEU HBx B 11 LEU HDx% 1.0 0.0 2.97 1086 793 B 13 GLU H B 11 LEU HDy% 1.0 0.0 6.40 1087 793 B 13 GLU H B 11 LEU HDx% 1.0 0.0 6.40 1088 794 B 14 ALA H B 11 LEU HDy% 1.0 0.0 6.40 1089 794 B 14 ALA H B 11 LEU HDx% 1.0 0.0 6.40 1090 795 B 15 LEU HDx% B 11 LEU HDy% 1.0 0.0 3.83 1091 795 B 15 LEU HDx% B 11 LEU HDx% 1.0 0.0 3.83 1092 796 B 12 VAL H B 12 VAL HGx% 1.0 0.0 3.10 1093 796 B 12 VAL H B 12 VAL HGy% 1.0 0.0 3.10 1094 797 B 12 VAL HA B 12 VAL HGx% 1.0 0.0 2.94 1095 797 B 12 VAL HA B 12 VAL HGy% 1.0 0.0 2.94 1096 798 B 13 GLU H B 12 VAL HGx% 1.0 0.0 3.44 1097 798 B 13 GLU H B 12 VAL HGy% 1.0 0.0 3.44 1098 799 B 12 VAL HGy% B 13 GLU HGx 1.0 0.0 3.85 1099 799 B 12 VAL HGx% B 13 GLU HGx 1.0 0.0 3.85 1100 799 B 13 GLU HGy B 12 VAL HGx% 1.0 0.0 3.85 1101 799 B 13 GLU HGy B 12 VAL HGy% 1.0 0.0 3.85 1102 800 B 14 ALA H B 12 VAL HGx% 1.0 0.0 4.90 1103 800 B 14 ALA H B 12 VAL HGy% 1.0 0.0 4.90 1104 801 B 15 LEU H B 12 VAL HGx% 1.0 0.0 5.42 1105 801 B 15 LEU H B 12 VAL HGy% 1.0 0.0 5.42 1106 802 B 15 LEU HDx% B 12 VAL HGx% 1.0 0.0 4.52 1107 802 B 15 LEU HDx% B 12 VAL HGy% 1.0 0.0 4.52 1108 803 B 16 TYR H B 12 VAL HGx% 1.0 0.0 5.37 1109 803 B 16 TYR H B 12 VAL HGy% 1.0 0.0 5.37 1110 804 B 12 VAL HGx% B 16 TYR HBx 1.0 0.0 4.43 1111 804 B 12 VAL HGy% B 16 TYR HBx 1.0 0.0 4.43 1112 804 B 16 TYR HBy B 12 VAL HGx% 1.0 0.0 4.43 1113 804 B 16 TYR HBy B 12 VAL HGy% 1.0 0.0 4.43 1114 805 B 24 PHE HD% B 12 VAL HGx% 1.0 0.0 4.54 1115 805 B 24 PHE HD% B 12 VAL HGy% 1.0 0.0 4.54 1116 806 B 24 PHE HE% B 12 VAL HGx% 1.0 0.0 3.13 1117 806 B 24 PHE HE% B 12 VAL HGy% 1.0 0.0 3.13 1118 807 B 14 ALA H B 17 LEU HDy% 1.0 0.0 5.23 1119 807 B 14 ALA H B 17 LEU HDx% 1.0 0.0 5.23 1120 808 B 14 ALA HA B 18 VAL HGx% 1.0 0.0 4.89 1121 808 B 14 ALA HA B 18 VAL HGy% 1.0 0.0 4.89 1122 809 B 14 ALA HB% B 17 LEU HDy% 1.0 0.0 4.27 1123 809 B 14 ALA HB% B 17 LEU HDx% 1.0 0.0 4.27 1124 810 B 14 ALA HB% B 18 VAL HGx% 1.0 0.0 4.35 1125 810 B 14 ALA HB% B 18 VAL HGy% 1.0 0.0 4.35 1126 811 B 15 LEU H B 17 LEU HDy% 1.0 0.0 6.40 1127 811 B 15 LEU H B 17 LEU HDx% 1.0 0.0 6.40 1128 812 B 15 LEU H B 18 VAL HGx% 1.0 0.0 4.52 1129 812 B 15 LEU H B 18 VAL HGy% 1.0 0.0 4.52 1130 813 B 15 LEU HA B 18 VAL HGx% 1.0 0.0 3.29 1131 813 B 15 LEU HA B 18 VAL HGy% 1.0 0.0 3.29 1132 814 B 15 LEU HBx B 18 VAL HGx% 1.0 0.0 4.00 1133 814 B 15 LEU HBx B 18 VAL HGy% 1.0 0.0 4.00 1134 815 B 15 LEU HG B 18 VAL HGx% 1.0 0.0 4.73 1135 815 B 15 LEU HG B 18 VAL HGy% 1.0 0.0 4.73 1136 816 B 15 LEU HDx% B 24 PHE HBx 1.0 0.0 4.78 1137 816 B 15 LEU HDx% B 24 PHE HBy 1.0 0.0 4.78 1138 817 B 15 LEU HDy% B 18 VAL HGx% 1.0 0.0 3.51 1139 817 B 15 LEU HDy% B 18 VAL HGy% 1.0 0.0 3.51 1140 818 B 15 LEU HDy% B 24 PHE HBx 1.0 0.0 4.76 1141 818 B 15 LEU HDy% B 24 PHE HBy 1.0 0.0 4.76 1142 819 B 16 TYR H B 17 LEU HDy% 1.0 0.0 6.35 1143 819 B 16 TYR H B 17 LEU HDx% 1.0 0.0 6.35 1144 820 B 16 TYR H B 18 VAL HGx% 1.0 0.0 4.95 1145 820 B 16 TYR H B 18 VAL HGy% 1.0 0.0 4.95 1146 821 B 16 TYR HBx B 17 LEU HDy% 1.0 0.0 4.83 1147 821 B 17 LEU HDx% B 16 TYR HBx 1.0 0.0 4.83 1148 821 B 16 TYR HBy B 17 LEU HDx% 1.0 0.0 4.83 1149 821 B 16 TYR HBy B 17 LEU HDy% 1.0 0.0 4.83 1150 822 B 16 TYR HE% B 17 LEU HDy% 1.0 0.0 4.08 1151 822 B 16 TYR HE% B 17 LEU HDx% 1.0 0.0 4.08 1152 823 B 17 LEU H B 17 LEU HDy% 1.0 0.0 4.23 1153 823 B 17 LEU H B 17 LEU HDx% 1.0 0.0 4.23 1154 824 B 17 LEU H B 18 VAL HGx% 1.0 0.0 4.78 1155 824 B 17 LEU H B 18 VAL HGy% 1.0 0.0 4.78 1156 825 B 17 LEU HBy B 18 VAL HGx% 1.0 0.0 4.48 1157 825 B 17 LEU HBy B 18 VAL HGy% 1.0 0.0 4.48 1158 826 B 18 VAL H B 17 LEU HDy% 1.0 0.0 4.60 1159 826 B 18 VAL H B 17 LEU HDx% 1.0 0.0 4.60 1160 827 B 18 VAL H B 18 VAL HGx% 1.0 0.0 2.91 1161 827 B 18 VAL H B 18 VAL HGy% 1.0 0.0 2.91 1162 828 B 18 VAL H B 19 CYS HBy 1.0 0.0 5.52 1163 828 B 18 VAL H B 19 CYS HBx 1.0 0.0 5.52 1164 829 B 19 CYS H B 18 VAL HGx% 1.0 0.0 3.31 1165 829 B 19 CYS H B 18 VAL HGy% 1.0 0.0 3.31 1166 830 B 19 CYS HA B 18 VAL HGx% 1.0 0.0 3.92 1167 830 B 19 CYS HA B 18 VAL HGy% 1.0 0.0 3.92 1168 831 B 20 GLY H B 18 VAL HGx% 1.0 0.0 4.60 1169 831 B 20 GLY H B 18 VAL HGy% 1.0 0.0 4.60 1170 832 B 19 CYS H B 19 CYS HBy 1.0 0.0 3.10 1171 832 B 19 CYS H B 19 CYS HBx 1.0 0.0 3.10 1172 833 B 23 GLY H B 19 CYS HBy 1.0 0.0 4.13 1173 833 B 23 GLY H B 19 CYS HBx 1.0 0.0 4.13 1174 834 B 21 GLU H B 21 GLU HBx 1.0 0.0 3.56 1175 834 B 21 GLU H B 21 GLU HBy 1.0 0.0 3.56 1176 835 B 22 ARG H B 21 GLU HBx 1.0 0.0 3.69 1177 835 B 22 ARG H B 21 GLU HBy 1.0 0.0 3.69 1178 836 B 24 PHE HD% B 23 GLY HAx 1.0 0.0 3.78 1179 836 B 24 PHE HD% B 23 GLY HAy 1.0 0.0 3.78 1180 837 B 24 PHE HE% B 23 GLY HAx 1.0 0.0 4.96 1181 837 B 24 PHE HE% B 23 GLY HAy 1.0 0.0 4.96 1182 838 B 25 PHE H B 24 PHE HBx 1.0 0.0 3.34 1183 838 B 25 PHE H B 24 PHE HBy 1.0 0.0 3.34 1184 839 B 27 THR H B 28 PRO HDy 1.0 0.0 4.75 1185 839 B 27 THR H B 28 PRO HDx 1.0 0.0 4.75 1186 840 B 27 THR HA B 28 PRO HDy 1.0 0.0 2.87 1187 840 B 27 THR HA B 28 PRO HDx 1.0 0.0 2.87 1188 841 B 27 THR HG2% B 28 PRO HDy 1.0 0.0 3.72 1189 841 B 27 THR HG2% B 28 PRO HDx 1.0 0.0 3.72 1190 842 A 6 CYS SG A 11 CYS SG 1.0 0.0 2.10 1191 843 A 6 CYS SG A 11 CYS CB 1.0 0.0 3.10 1192 844 A 11 CYS SG A 6 CYS CB 1.0 0.0 3.10 1193 845 A 7 CYS SG B 7 CYS SG 1.0 0.0 2.10 1194 846 A 7 CYS SG B 7 CYS CB 1.0 0.0 3.10 1195 847 B 7 CYS SG A 7 CYS CB 1.0 0.0 3.10 1196 848 A 20 CYS SG B 19 CYS SG 1.0 0.0 2.10 1197 849 A 20 CYS SG B 19 CYS CB 1.0 0.0 3.10 1198 850 B 19 CYS SG A 20 CYS CB 1.0 0.0 3.10 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 undefined _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 6 CYS SG A 11 CYS SG 1.0 2.0 4.0 2 2 A 6 CYS SG A 11 CYS CB 1.0 3.0 6.0 3 3 A 11 CYS SG A 6 CYS CB 1.0 3.0 6.0 4 4 A 7 CYS SG B 7 CYS SG 1.0 2.0 4.0 5 5 A 7 CYS SG B 7 CYS CB 1.0 3.0 6.0 6 6 B 7 CYS SG A 7 CYS CB 1.0 3.0 6.0 7 7 A 20 CYS SG B 19 CYS SG 1.0 2.0 4.0 8 8 A 20 CYS SG B 19 CYS CB 1.0 3.0 6.0 9 9 B 19 CYS SG A 20 CYS CB 1.0 3.0 6.0 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 6 CYS H A 2 ILE O 1.0 0.0 2.0 2 2 A 2 ILE O A 6 CYS N 1.0 0.0 3.0 3 3 A 7 CYS H A 3 VAL O 1.0 0.0 2.0 4 4 A 3 VAL O A 7 CYS N 1.0 0.0 3.0 5 5 A 8 THR H A 4 GLU O 1.0 0.0 2.0 6 6 A 4 GLU O A 8 THR N 1.0 0.0 3.0 7 7 A 16 LEU H A 12 SER O 1.0 0.0 2.0 8 8 A 12 SER O A 16 LEU N 1.0 0.0 3.0 9 9 A 17 GLU H A 13 LEU O 1.0 0.0 2.0 10 10 A 13 LEU O A 17 GLU N 1.0 0.0 3.0 11 11 A 18 ASN H A 14 TYR O 1.0 0.0 2.0 12 12 A 14 TYR O A 18 ASN N 1.0 0.0 3.0 13 13 A 19 TYR H A 16 LEU O 1.0 0.0 2.0 14 14 A 16 LEU O A 19 TYR N 1.0 0.0 3.0 15 15 B 14 ALA H B 10 HIS O 1.0 0.0 2.0 16 16 B 10 HIS O B 14 ALA N 1.0 0.0 3.0 17 17 B 15 LEU H B 11 LEU O 1.0 0.0 2.0 18 18 B 11 LEU O B 15 LEU N 1.0 0.0 3.0 19 19 B 16 TYR H B 12 VAL O 1.0 0.0 2.0 20 20 B 12 VAL O B 16 TYR N 1.0 0.0 3.0 21 21 B 17 LEU H B 13 GLU O 1.0 0.0 2.0 22 22 B 13 GLU O B 17 LEU N 1.0 0.0 3.0 23 23 B 18 VAL H B 14 ALA O 1.0 0.0 2.0 24 24 B 14 ALA O B 18 VAL N 1.0 0.0 3.0 25 25 B 19 CYS H B 15 LEU O 1.0 0.0 2.0 26 26 B 15 LEU O B 19 CYS N 1.0 0.0 3.0 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _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 6 CYS H A 2 ILE O 1.0 1.8 3.6 2 2 A 2 ILE O A 6 CYS N 1.0 2.7 5.4 3 3 A 7 CYS H A 3 VAL O 1.0 1.8 3.6 4 4 A 3 VAL O A 7 CYS N 1.0 2.7 5.4 5 5 A 8 THR H A 4 GLU O 1.0 1.8 3.6 6 6 A 4 GLU O A 8 THR N 1.0 2.7 5.4 7 7 A 16 LEU H A 12 SER O 1.0 1.8 3.6 8 8 A 12 SER O A 16 LEU N 1.0 2.7 5.4 9 9 A 17 GLU H A 13 LEU O 1.0 1.8 3.6 10 10 A 13 LEU O A 17 GLU N 1.0 2.7 5.4 11 11 A 18 ASN H A 14 TYR O 1.0 1.8 3.6 12 12 A 14 TYR O A 18 ASN N 1.0 2.7 5.4 13 13 A 19 TYR H A 16 LEU O 1.0 1.8 3.6 14 14 A 16 LEU O A 19 TYR N 1.0 2.7 5.4 15 15 B 14 ALA H B 10 HIS O 1.0 1.8 3.6 16 16 B 10 HIS O B 14 ALA N 1.0 2.7 5.4 17 17 B 15 LEU H B 11 LEU O 1.0 1.8 3.6 18 18 B 11 LEU O B 15 LEU N 1.0 2.7 5.4 19 19 B 16 TYR H B 12 VAL O 1.0 1.8 3.6 20 20 B 12 VAL O B 16 TYR N 1.0 2.7 5.4 21 21 B 17 LEU H B 13 GLU O 1.0 1.8 3.6 22 22 B 13 GLU O B 17 LEU N 1.0 2.7 5.4 23 23 B 18 VAL H B 14 ALA O 1.0 1.8 3.6 24 24 B 14 ALA O B 18 VAL N 1.0 2.7 5.4 25 25 B 19 CYS H B 15 LEU O 1.0 1.8 3.6 26 26 B 15 LEU O B 19 CYS N 1.0 2.7 5.4 stop_ save_ save_CNS/XPLOR_dihedral_6 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_6 _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 2 ILE C A 3 VAL N A 3 VAL CA A 3 VAL C 1.0 -80.8 -34.4 PHI 2 2 A 3 VAL N A 3 VAL CA A 3 VAL C A 4 GLU N 1.0 -63.4 6.6 PSI 3 3 A 3 VAL C A 4 GLU N A 4 GLU CA A 4 GLU C 1.0 -78.1 -52.7 PHI 4 4 A 4 GLU N A 4 GLU CA A 4 GLU C A 5 GLN N 1.0 -57.1 -7.7 PSI 5 5 A 4 GLU C A 5 GLN N A 5 GLN CA A 5 GLN C 1.0 -103.8 -49.2 PHI 6 6 A 5 GLN N A 5 GLN CA A 5 GLN C A 6 CYS N 1.0 -54.6 22.8 PSI 7 7 A 7 CYS C A 8 THR N A 8 THR CA A 8 THR C 1.0 -110.9 -43.3 PHI 8 8 A 8 THR N A 8 THR CA A 8 THR C A 9 SER N 1.0 -63.0 3.4 PSI 9 9 A 8 THR C A 9 SER N A 9 SER CA A 9 SER C 1.0 -192.3 -53.7 PHI 10 10 A 9 SER N A 9 SER CA A 9 SER C A 10 ILE N 1.0 87.6 184.6 PSI 11 11 A 9 SER C A 10 ILE N A 10 ILE CA A 10 ILE C 1.0 -133.6 -89.0 PHI 12 12 A 10 ILE N A 10 ILE CA A 10 ILE C A 11 CYS N 1.0 113.1 145.5 PSI 13 13 A 11 CYS C A 12 SER N A 12 SER CA A 12 SER C 1.0 -137.0 -46.6 PHI 14 14 A 12 SER N A 12 SER CA A 12 SER C A 13 LEU N 1.0 146.1 188.3 PSI 15 15 A 12 SER C A 13 LEU N A 13 LEU CA A 13 LEU C 1.0 -72.6 -49.2 PHI 16 16 A 13 LEU N A 13 LEU CA A 13 LEU C A 14 TYR N 1.0 -49.5 -22.9 PSI 17 17 A 13 LEU C A 14 TYR N A 14 TYR CA A 14 TYR C 1.0 -79.6 -56.2 PHI 18 18 A 14 TYR N A 14 TYR CA A 14 TYR C A 15 GLN N 1.0 -51.2 -26.8 PSI 19 19 A 14 TYR C A 15 GLN N A 15 GLN CA A 15 GLN C 1.0 -77.0 -51.4 PHI 20 20 A 15 GLN N A 15 GLN CA A 15 GLN C A 16 LEU N 1.0 -58.2 -25.6 PSI 21 21 A 15 GLN C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -73.8 -53.8 PHI 22 22 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 GLU N 1.0 -52.6 -30.0 PSI 23 23 A 16 LEU C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 -79.5 -48.7 PHI 24 24 A 17 GLU N A 17 GLU CA A 17 GLU C A 18 ASN N 1.0 -56.8 -15.8 PSI 25 25 A 17 GLU C A 18 ASN N A 18 ASN CA A 18 ASN C 1.0 -123.4 -37.2 PHI 26 26 A 18 ASN N A 18 ASN CA A 18 ASN C A 19 TYR N 1.0 -54.9 18.1 PSI 27 27 A 20 CYS C A 21 ASN N A 21 ASN CA A 21 ASN C 1.0 -117.2 -57.6 PHI 28 28 B 1 PHE C B 2 VAL N B 2 VAL CA B 2 VAL C 1.0 -144.8 -48.4 PHI 29 29 B 2 VAL N B 2 VAL CA B 2 VAL C B 3 ASN N 1.0 97.0 161.8 PSI 30 30 B 5 HIS C B 6 LEU N B 6 LEU CA B 6 LEU C 1.0 -178.1 -80.9 PHI 31 31 B 6 LEU N B 6 LEU CA B 6 LEU C B 7 CYS N 1.0 114.1 167.1 PSI 32 32 B 8 GLY C B 9 SER N B 9 SER CA B 9 SER C 1.0 -86.4 -40.0 PHI 33 33 B 9 SER N B 9 SER CA B 9 SER C B 10 HIS N 1.0 -59.8 11.6 PSI 34 34 B 9 SER C B 10 HIS N B 10 HIS CA B 10 HIS C 1.0 -79.0 -53.6 PHI 35 35 B 10 HIS N B 10 HIS CA B 10 HIS C B 11 LEU N 1.0 -49.9 -19.9 PSI 36 36 B 10 HIS C B 11 LEU N B 11 LEU CA B 11 LEU C 1.0 -72.1 -50.5 PHI 37 37 B 11 LEU N B 11 LEU CA B 11 LEU C B 12 VAL N 1.0 -58.1 -32.7 PSI 38 38 B 11 LEU C B 12 VAL N B 12 VAL CA B 12 VAL C 1.0 -73.3 -53.3 PHI 39 39 B 12 VAL N B 12 VAL CA B 12 VAL C B 13 GLU N 1.0 -58.6 -29.6 PSI 40 40 B 12 VAL C B 13 GLU N B 13 GLU CA B 13 GLU C 1.0 -75.9 -55.9 PHI 41 41 B 13 GLU N B 13 GLU CA B 13 GLU C B 14 ALA N 1.0 -51.8 -23.2 PSI 42 42 B 13 GLU C B 14 ALA N B 14 ALA CA B 14 ALA C 1.0 -73.0 -53.0 PHI 43 43 B 14 ALA N B 14 ALA CA B 14 ALA C B 15 LEU N 1.0 -55.1 -30.9 PSI 44 44 B 14 ALA C B 15 LEU N B 15 LEU CA B 15 LEU C 1.0 -97.8 -37.8 PHI 45 45 B 15 LEU N B 15 LEU CA B 15 LEU C B 16 TYR N 1.0 -72.9 0.3 PSI 46 46 B 15 LEU C B 16 TYR N B 16 TYR CA B 16 TYR C 1.0 -78.7 -50.5 PHI 47 47 B 16 TYR N B 16 TYR CA B 16 TYR C B 17 LEU N 1.0 -59.7 -17.3 PSI 48 48 B 16 TYR C B 17 LEU N B 17 LEU CA B 17 LEU C 1.0 -78.8 -51.0 PHI 49 49 B 17 LEU N B 17 LEU CA B 17 LEU C B 18 VAL N 1.0 -52.2 -25.4 PSI stop_ save_