data_nef_c17963_2ljv 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 4 CYS SG 1 19 CYS SG 1 6 CYS SG 1 14 CYS SG 1 13 CYS SG 1 36 CYS SG 1 27 CYS SG 1 33 CYS SG 1 32 CYS SG 1 57 CYS SG 1 45 CYS SG 1 64 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 LYS middle . . 3 A 3 GLU middle . . 4 A 4 CYS middle -HG . 5 A 5 ASP middle . . 6 A 6 CYS middle -HG . 7 A 7 SER middle . . 8 A 8 SER middle . . 9 A 9 PRO middle . false 10 A 10 GLU middle . . 11 A 11 ASN middle . . 12 A 12 PRO middle . false 13 A 13 CYS middle -HG . 14 A 14 CYS middle -HG . 15 A 15 ASP middle . . 16 A 16 ALA middle . . 17 A 17 ALA middle . . 18 A 18 THR middle . . 19 A 19 CYS middle -HG . 20 A 20 LYS middle . . 21 A 21 LEU middle . . 22 A 22 ARG middle . . 23 A 23 PRO middle . false 24 A 24 GLY middle . false 25 A 25 ALA middle . . 26 A 26 GLN middle . . 27 A 27 CYS middle -HG . 28 A 28 GLY middle . false 29 A 29 GLU middle . . 30 A 30 GLY middle . false 31 A 31 LEU middle . . 32 A 32 CYS middle -HG . 33 A 33 CYS middle -HG . 34 A 34 GLU middle . . 35 A 35 GLN middle . . 36 A 36 CYS middle -HG . 37 A 37 LYS middle . . 38 A 38 PHE middle . . 39 A 39 SER middle . . 40 A 40 ARG middle . . 41 A 41 ALA middle . . 42 A 42 GLY middle . false 43 A 43 LYS middle . . 44 A 44 ILE middle . . 45 A 45 CYS middle -HG . 46 A 46 ARG middle . . 47 A 47 ILE middle . . 48 A 48 PRO middle . false 49 A 49 ARG middle . . 50 A 50 LEU middle . . 51 A 51 ASP middle . . 52 A 52 MET middle . . 53 A 53 PRO middle . false 54 A 54 ASP middle . . 55 A 55 ASP middle . . 56 A 56 ARG middle . . 57 A 57 CYS middle -HG . 58 A 58 THR middle . . 59 A 59 GLY middle . false 60 A 60 GLN middle . . 61 A 61 SER middle . . 62 A 62 ALA middle . . 63 A 63 ASP middle . . 64 A 64 CYS middle -HG . 65 A 65 PRO middle . false 66 A 66 ARG middle . . 67 A 67 TYR middle . . 68 A 68 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 GLY H1 H 1 8.577 0.01 A 1 GLY HAx H 1 4.008 0.01 A 1 GLY HAy H 1 4.678 0.01 A 1 GLY N N 15 114.35 0.1 A 2 LYS H H 1 8.331 0.01 A 2 LYS HBy H 1 1.90 0.01 A 2 LYS HBx H 1 1.81 0.01 A 2 LYS HGx H 1 1.484 0.01 A 2 LYS HGy H 1 1.484 0.01 A 2 LYS N N 15 125.285 0.1 A 3 GLU H H 1 8.659 0.01 A 3 GLU HA H 1 4.322 0.01 A 3 GLU HBy H 1 2.051 0.01 A 3 GLU HBx H 1 1.970 0.01 A 3 GLU HGx H 1 2.281 0.01 A 3 GLU HGy H 1 2.281 0.01 A 3 GLU N N 15 125.356 0.1 A 4 CYS H H 1 8.116 0.01 A 4 CYS HA H 1 4.975 0.01 A 4 CYS HBy H 1 3.456 0.01 A 4 CYS HBx H 1 2.581 0.01 A 4 CYS N N 15 123.773 0.1 A 5 ASP H H 1 8.776 0.01 A 5 ASP HA H 1 4.817 0.01 A 5 ASP HBx H 1 2.721 0.01 A 5 ASP HBy H 1 2.721 0.01 A 5 ASP N N 15 123.756 0.1 A 6 CYS H H 1 6.975 0.01 A 6 CYS HA H 1 4.931 0.01 A 6 CYS HBy H 1 3.218 0.01 A 6 CYS HBx H 1 2.987 0.01 A 6 CYS N N 15 116.724 0.1 A 7 SER H H 1 9.659 0.01 A 7 SER HA H 1 4.226 0.01 A 7 SER HBy H 1 3.953 0.01 A 7 SER HBx H 1 3.858 0.01 A 7 SER N N 15 123.545 0.1 A 8 SER H H 1 7.862 0.01 A 8 SER HA H 1 5.137 0.01 A 8 SER HBy H 1 4.005 0.01 A 8 SER HBx H 1 3.816 0.01 A 8 SER N N 15 119.712 0.1 A 9 PRO HA H 1 4.559 0.01 A 9 PRO HBx H 1 2.392 0.01 A 9 PRO HBy H 1 2.392 0.01 A 9 PRO HDy H 1 3.965 0.01 A 9 PRO HDx H 1 3.824 0.01 A 9 PRO HGx H 1 2.040 0.01 A 9 PRO HGy H 1 2.040 0.01 A 10 GLU H H 1 8.244 0.01 A 10 GLU HA H 1 4.294 0.01 A 10 GLU HBy H 1 2.201 0.01 A 10 GLU HBx H 1 2.031 0.01 A 10 GLU HGx H 1 2.261 0.01 A 10 GLU HGy H 1 2.261 0.01 A 10 GLU N N 15 120.855 0.1 A 11 ASN H H 1 7.260 0.01 A 11 ASN HA H 1 4.794 0.01 A 11 ASN HBy H 1 3.146 0.01 A 11 ASN HBx H 1 2.872 0.01 A 11 ASN HD2x H 1 7.438 0.01 A 11 ASN HD2y H 1 8.296 0.01 A 11 ASN N N 15 124.776 0.1 A 11 ASN ND2 N 15 118.519 0.1 A 12 PRO HA H 1 4.704 0.01 A 12 PRO HBy H 1 2.393 0.01 A 12 PRO HBx H 1 1.979 0.01 A 12 PRO HDy H 1 4.165 0.01 A 12 PRO HDx H 1 3.969 0.01 A 12 PRO HGx H 1 2.151 0.01 A 12 PRO HGy H 1 2.151 0.01 A 13 CYS H H 1 8.931 0.01 A 13 CYS HA H 1 4.648 0.01 A 13 CYS HBy H 1 3.222 0.01 A 13 CYS HBx H 1 2.578 0.01 A 13 CYS N N 15 121.945 0.1 A 14 CYS H H 1 7.543 0.01 A 14 CYS HA H 1 5.056 0.01 A 14 CYS HBy H 1 2.95 0.01 A 14 CYS HBx H 1 2.89 0.01 A 14 CYS N N 15 116.46 0.1 A 15 ASP H H 1 8.212 0.01 A 15 ASP HA H 1 4.570 0.01 A 15 ASP HBy H 1 3.144 0.01 A 15 ASP HBx H 1 2.481 0.01 A 15 ASP N N 15 125.197 0.1 A 16 ALA H H 1 8.996 0.01 A 16 ALA HA H 1 4.148 0.01 A 16 ALA HB% H 1 1.546 0.01 A 16 ALA N N 15 135.341 0.1 A 17 ALA H H 1 8.669 0.01 A 17 ALA HA H 1 4.361 0.01 A 17 ALA HB% H 1 1.544 0.01 A 17 ALA N N 15 121.91 0.1 A 18 THR H H 1 7.743 0.01 A 18 THR HA H 1 4.445 0.01 A 18 THR HB H 1 4.34 0.01 A 18 THR HG2% H 1 1.198 0.01 A 18 THR N N 15 109.481 0.1 A 19 CYS H H 1 8.601 0.01 A 19 CYS HA H 1 4.642 0.01 A 19 CYS HBy H 1 3.543 0.01 A 19 CYS HBx H 1 3.323 0.01 A 19 CYS N N 15 123.176 0.1 A 20 LYS H H 1 7.964 0.01 A 20 LYS HA H 1 4.945 0.01 A 20 LYS HBy H 1 1.984 0.01 A 20 LYS HBx H 1 1.536 0.01 A 20 LYS HDx H 1 1.675 0.01 A 20 LYS HDy H 1 1.675 0.01 A 20 LYS N N 15 122.525 0.1 A 21 LEU H H 1 9.211 0.01 A 21 LEU HA H 1 4.285 0.01 A 21 LEU HBx H 1 1.424 0.01 A 21 LEU HBy H 1 1.424 0.01 A 21 LEU HDx% H 1 0.632 0.01 A 21 LEU HDy% H 1 0.519 0.01 A 21 LEU HG H 1 1.681 0.01 A 21 LEU N N 15 124.582 0.1 A 22 ARG H H 1 8.490 0.01 A 22 ARG HA H 1 4.448 0.01 A 22 ARG HBy H 1 1.719 0.01 A 22 ARG HBx H 1 1.627 0.01 A 22 ARG HDy H 1 3.249 0.01 A 22 ARG HDx H 1 3.172 0.01 A 22 ARG HE H 1 6.925 0.01 A 22 ARG N N 15 126.604 0.1 A 22 ARG NE N 15 125.132 0.1 A 23 PRO HA H 1 4.389 0.01 A 23 PRO HBy H 1 2.378 0.01 A 23 PRO HBx H 1 1.921 0.01 A 23 PRO HGx H 1 2.091 0.01 A 23 PRO HGy H 1 2.091 0.01 A 24 GLY H H 1 8.830 0.01 A 24 GLY HAx H 1 3.664 0.01 A 24 GLY HAy H 1 4.295 0.01 A 24 GLY N N 15 117.708 0.1 A 25 ALA H H 1 7.942 0.01 A 25 ALA HA H 1 4.540 0.01 A 25 ALA HB% H 1 1.621 0.01 A 25 ALA N N 15 127.553 0.1 A 26 GLN H H 1 8.827 0.01 A 26 GLN HA H 1 4.113 0.01 A 26 GLN HBy H 1 1.236 0.01 A 26 GLN HBx H 1 0.574 0.01 A 26 GLN HE2y H 1 7.717 0.01 A 26 GLN HE2x H 1 6.988 0.01 A 26 GLN HGy H 1 2.168 0.01 A 26 GLN HGx H 1 2.056 0.01 A 26 GLN N N 15 122.086 0.1 A 26 GLN NE2 N 15 117.676 0.1 A 27 CYS H H 1 7.805 0.01 A 27 CYS HA H 1 4.555 0.01 A 27 CYS HBy H 1 3.287 0.01 A 27 CYS HBx H 1 3.153 0.01 A 27 CYS N N 15 117.409 0.1 A 28 GLY H H 1 9.163 0.01 A 28 GLY HAy H 1 4.446 0.01 A 28 GLY HAx H 1 3.574 0.01 A 28 GLY N N 15 109.041 0.1 A 29 GLU H H 1 7.844 0.01 A 29 GLU HA H 1 4.782 0.01 A 29 GLU HBy H 1 2.311 0.01 A 29 GLU HBx H 1 1.981 0.01 A 29 GLU HGy H 1 2.260 0.01 A 29 GLU HGx H 1 2.171 0.01 A 29 GLU N N 15 122.174 0.1 A 30 GLY H H 1 8.391 0.01 A 30 GLY HAy H 1 4.915 0.01 A 30 GLY HAx H 1 3.925 0.01 A 30 GLY N N 15 112.663 0.1 A 31 LEU H H 1 8.960 0.01 A 31 LEU HA H 1 4.354 0.01 A 31 LEU HBy H 1 1.829 0.01 A 31 LEU HBx H 1 1.741 0.01 A 31 LEU HDx% H 1 1.142 0.01 A 31 LEU HDy% H 1 1.142 0.01 A 31 LEU HG H 1 1.987 0.01 A 31 LEU N N 15 125.039 0.1 A 32 CYS H H 1 8.467 0.01 A 32 CYS HA H 1 5.108 0.01 A 32 CYS HBy H 1 3.894 0.01 A 32 CYS HBx H 1 2.509 0.01 A 32 CYS N N 15 119.167 0.1 A 33 CYS H H 1 7.365 0.01 A 33 CYS HA H 1 5.291 0.01 A 33 CYS HBy H 1 2.994 0.01 A 33 CYS HBx H 1 2.560 0.01 A 33 CYS N N 15 125.303 0.1 A 34 GLU H H 1 9.742 0.01 A 34 GLU HA H 1 4.682 0.01 A 34 GLU HBy H 1 2.055 0.01 A 34 GLU HBx H 1 1.911 0.01 A 34 GLU HGx H 1 2.228 0.01 A 34 GLU HGy H 1 2.228 0.01 A 34 GLU N N 15 132.652 0.1 A 35 GLN H H 1 9.453 0.01 A 35 GLN HA H 1 3.999 0.01 A 35 GLN HBy H 1 2.399 0.01 A 35 GLN HBx H 1 2.128 0.01 A 35 GLN HGx H 1 2.241 0.01 A 35 GLN HGy H 1 2.241 0.01 A 35 GLN N N 15 129.593 0.1 A 35 GLN NE2 N 15 116.264 0.1 A 36 CYS H H 1 8.492 0.01 A 36 CYS HA H 1 4.801 0.01 A 36 CYS HBy H 1 3.763 0.01 A 36 CYS HBx H 1 3.372 0.01 A 36 CYS N N 15 109.569 0.1 A 37 LYS H H 1 8.024 0.01 A 37 LYS HA H 1 4.703 0.01 A 37 LYS HBy H 1 1.88 0.01 A 37 LYS HBx H 1 1.79 0.01 A 37 LYS HDx H 1 1.64 0.01 A 37 LYS HDy H 1 1.64 0.01 A 37 LYS HEx H 1 3.039 0.01 A 37 LYS HEy H 1 3.039 0.01 A 37 LYS HGx H 1 1.46 0.01 A 37 LYS HGy H 1 1.54 0.01 A 37 LYS N N 15 125.11 0.1 A 38 PHE H H 1 8.276 0.01 A 38 PHE HA H 1 5.141 0.01 A 38 PHE HBy H 1 3.050 0.01 A 38 PHE HBx H 1 2.724 0.01 A 38 PHE HDx H 1 7.029 0.01 A 38 PHE HDy H 1 7.029 0.01 A 38 PHE HEx H 1 7.261 0.01 A 38 PHE HEy H 1 7.261 0.01 A 38 PHE N N 15 123.897 0.1 A 39 SER H H 1 9.044 0.01 A 39 SER HA H 1 4.274 0.01 A 39 SER HBy H 1 3.932 0.01 A 39 SER HBx H 1 3.765 0.01 A 39 SER N N 15 125.655 0.1 A 40 ARG H H 1 8.573 0.01 A 40 ARG HA H 1 4.101 0.01 A 40 ARG HBx H 1 1.82 0.01 A 40 ARG HBy H 1 1.82 0.01 A 40 ARG HDx H 1 3.269 0.01 A 40 ARG HDy H 1 3.269 0.01 A 40 ARG HGx H 1 1.688 0.01 A 40 ARG HGy H 1 1.688 0.01 A 40 ARG N N 15 125.848 0.1 A 41 ALA H H 1 8.501 0.01 A 41 ALA HA H 1 3.724 0.01 A 41 ALA HB% H 1 1.298 0.01 A 41 ALA N N 15 127.729 0.1 A 42 GLY H H 1 8.619 0.01 A 42 GLY HAy H 1 4.486 0.01 A 42 GLY HAx H 1 3.587 0.01 A 42 GLY N N 15 114.579 0.1 A 43 LYS H H 1 7.535 0.01 A 43 LYS HA H 1 4.149 0.01 A 43 LYS HBx H 1 1.87 0.01 A 43 LYS HBy H 1 1.87 0.01 A 43 LYS HDx H 1 1.697 0.01 A 43 LYS HDy H 1 1.697 0.01 A 43 LYS HEx H 1 3.117 0.01 A 43 LYS HEy H 1 3.117 0.01 A 43 LYS HGy H 1 1.529 0.01 A 43 LYS HGx H 1 1.415 0.01 A 43 LYS N N 15 126.78 0.1 A 44 ILE H H 1 8.7 0.01 A 44 ILE HA H 1 4.225 0.01 A 44 ILE HB H 1 1.754 0.01 A 44 ILE HD1% H 1 0.923 0.01 A 44 ILE HG1x H 1 0.979 0.01 A 44 ILE HG1y H 1 0.979 0.01 A 44 ILE HG2% H 1 1.073 0.01 A 44 ILE N N 15 128.67 0.1 A 45 CYS H H 1 9.13 0.01 A 45 CYS HA H 1 5.069 0.01 A 45 CYS HBx H 1 2.918 0.01 A 45 CYS HBy H 1 3.194 0.01 A 45 CYS N N 15 122.7 0.1 A 46 ARG H H 1 7.63 0.01 A 46 ARG HA H 1 4.443 0.01 A 46 ARG HBx H 1 1.899 0.01 A 46 ARG HBy H 1 1.899 0.01 A 46 ARG HDx H 1 3.224 0.01 A 46 ARG HDy H 1 3.343 0.01 A 46 ARG HGx H 1 1.509 0.01 A 46 ARG HGy H 1 1.671 0.01 A 46 ARG N N 15 120.71 0.1 A 47 ILE H H 1 8.24 0.01 A 47 ILE HA H 1 4.465 0.01 A 47 ILE HB H 1 1.831 0.01 A 47 ILE HD1% H 1 0.873 0.01 A 47 ILE HG1y H 1 1.472 0.01 A 47 ILE HG1x H 1 1.158 0.01 A 47 ILE HG2% H 1 0.966 0.01 A 47 ILE N N 15 124.2 0.1 A 48 PRO HA H 1 4.405 0.01 A 48 PRO HBx H 1 2.322 0.01 A 48 PRO HBy H 1 2.322 0.01 A 48 PRO HDx H 1 3.819 0.01 A 48 PRO HDy H 1 3.876 0.01 A 48 PRO HGx H 1 1.972 0.01 A 48 PRO HGy H 1 1.972 0.01 A 49 ARG H H 1 8.41 0.01 A 49 ARG HA H 1 4.381 0.01 A 49 ARG HBx H 1 1.931 0.01 A 49 ARG HBy H 1 1.931 0.01 A 49 ARG HDx H 1 3.221 0.01 A 49 ARG HDy H 1 3.221 0.01 A 49 ARG HGx H 1 1.671 0.01 A 49 ARG HGy H 1 1.754 0.01 A 49 ARG N N 15 118.73 0.1 A 50 LEU H H 1 8.27 0.01 A 50 LEU HA H 1 4.112 0.01 A 50 LEU HBx H 1 1.583 0.01 A 50 LEU HBy H 1 1.583 0.01 A 50 LEU HDx% H 1 0.923 0.01 A 50 LEU HDy% H 1 0.889 0.01 A 50 LEU HG H 1 1.657 0.01 A 50 LEU N N 15 120.22 0.1 A 51 ASP H H 1 8.58 0.01 A 51 ASP HA H 1 4.44 0.01 A 51 ASP HBx H 1 2.726 0.01 A 51 ASP HBy H 1 2.810 0.01 A 51 ASP N N 15 116.24 0.1 A 52 MET H H 1 7.68 0.01 A 52 MET HA H 1 4.902 0.01 A 52 MET HBx H 1 1.886 0.01 A 52 MET HBy H 1 1.998 0.01 A 52 MET HGx H 1 2.475 0.01 A 52 MET HGy H 1 2.520 0.01 A 52 MET N N 15 118.97 0.1 A 53 PRO HA H 1 4.42 0.01 A 53 PRO HBx H 1 1.834 0.01 A 53 PRO HBy H 1 2.188 0.01 A 53 PRO HDx H 1 3.413 0.01 A 53 PRO HDy H 1 3.727 0.01 A 53 PRO HGx H 1 1.673 0.01 A 53 PRO HGy H 1 1.673 0.01 A 54 ASP H H 1 8.11 0.01 A 54 ASP HA H 1 4.538 0.01 A 54 ASP HBx H 1 2.497 0.01 A 54 ASP HBy H 1 2.662 0.01 A 54 ASP N N 15 118.73 0.1 A 55 ASP H H 1 8.42 0.01 A 55 ASP HA H 1 4.936 0.01 A 55 ASP HBx H 1 2.509 0.01 A 55 ASP HBy H 1 2.874 0.01 A 55 ASP N N 15 120.96 0.1 A 56 ARG H H 1 8.27 0.01 A 56 ARG HA H 1 5.27 0.01 A 56 ARG HBx H 1 1.488 0.01 A 56 ARG HBy H 1 1.488 0.01 A 56 ARG HDx H 1 3.033 0.01 A 56 ARG HDy H 1 3.033 0.01 A 56 ARG HGx H 1 1.359 0.01 A 56 ARG HGy H 1 1.359 0.01 A 56 ARG N N 15 118.97 0.01 A 57 CYS H H 1 9.26 0.01 A 57 CYS HA H 1 4.803 0.01 A 57 CYS HBx H 1 2.675 0.01 A 57 CYS HBy H 1 3.829 0.01 A 57 CYS N N 15 119.22 0.1 A 58 THR H H 1 10.180 0.01 A 58 THR HA H 1 4.442 0.01 A 58 THR HB H 1 4.510 0.01 A 58 THR HG2% H 1 1.415 0.01 A 58 THR N N 15 117.445 0.1 A 59 GLY H H 1 8.546 0.01 A 59 GLY HAx H 1 4.460 0.01 A 59 GLY HAy H 1 4.460 0.01 A 59 GLY N N 15 115.88 0.1 A 60 GLN H H 1 7.986 0.01 A 60 GLN HA H 1 4.298 0.01 A 60 GLN HBy H 1 2.215 0.01 A 60 GLN HBx H 1 1.692 0.01 A 60 GLN N N 15 119.027 0.1 A 60 GLN NE2 N 15 115.688 0.1 A 61 SER H H 1 6.630 0.01 A 61 SER HA H 1 3.88 0.01 A 61 SER HBy H 1 3.88 0.01 A 61 SER HBx H 1 3.621 0.01 A 61 SER N N 15 114.913 0.1 A 62 ALA H H 1 9.027 0.01 A 62 ALA HA H 1 4.435 0.01 A 62 ALA HB% H 1 1.827 0.01 A 62 ALA N N 15 129.628 0.1 A 63 ASP H H 1 8.08 0.01 A 63 ASP HA H 1 4.895 0.01 A 63 ASP HBy H 1 2.671 0.01 A 63 ASP HBx H 1 2.543 0.01 A 63 ASP N N 15 121.506 0.1 A 64 CYS H H 1 8.924 0.01 A 64 CYS HA H 1 5.403 0.01 A 64 CYS HBy H 1 3.103 0.01 A 64 CYS HBx H 1 2.802 0.01 A 64 CYS N N 15 125.936 0.1 A 65 PRO HA H 1 4.375 0.01 A 65 PRO HBy H 1 2.216 0.01 A 65 PRO HBx H 1 1.802 0.01 A 65 PRO HDy H 1 3.994 0.01 A 65 PRO HDx H 1 3.733 0.01 A 65 PRO HGy H 1 2.130 0.01 A 65 PRO HGx H 1 2.014 0.01 A 66 ARG H H 1 8.203 0.01 A 66 ARG HA H 1 4.362 0.01 A 66 ARG HBy H 1 1.82 0.01 A 66 ARG HBx H 1 1.76 0.01 A 66 ARG HDx H 1 3.21 0.01 A 66 ARG HDy H 1 3.21 0.01 A 66 ARG HGx H 1 1.641 0.01 A 66 ARG HGy H 1 1.641 0.01 A 66 ARG N N 15 123.58 0.1 A 67 TYR H H 1 8.650 0.01 A 67 TYR HA H 1 4.459 0.01 A 67 TYR HBy H 1 3.135 0.01 A 67 TYR HBx H 1 3.006 0.01 A 67 TYR HDx H 1 7.163 0.01 A 67 TYR HDy H 1 7.163 0.01 A 67 TYR HEx H 1 6.863 0.01 A 67 TYR HEy H 1 6.863 0.01 A 67 TYR N N 15 128.872 0.1 A 68 HIS H H 1 7.655 0.01 A 68 HIS HA H 1 4.365 0.01 A 68 HIS HBy H 1 3.229 0.01 A 68 HIS HBx H 1 3.09 0.01 A 68 HIS N N 15 129.258 0.1 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 LYS H A 3 GLU H 1.0 2.4 6.0 2 2 A 3 GLU H A 4 CYS H 1.0 2.0 5.0 3 3 A 4 CYS H A 5 ASP H 1.0 2.0 5.0 4 4 A 5 ASP H A 6 CYS H 1.0 2.0 5.0 5 5 A 6 CYS H A 7 SER H 1.0 2.4 6.0 6 6 A 7 SER H A 8 SER H 1.0 2.0 5.0 7 7 A 10 GLU H A 11 ASN H 1.0 1.8 3.4 8 8 A 13 CYS H A 14 CYS H 1.0 1.8 3.4 9 9 A 14 CYS H A 15 ASP H 1.0 2.4 6.0 10 10 A 15 ASP H A 16 ALA H 1.0 2.4 6.0 11 11 A 16 ALA H A 17 ALA H 1.0 2.0 5.0 12 12 A 17 ALA H A 18 THR H 1.0 1.8 3.4 13 13 A 18 THR H A 19 CYS H 1.0 1.8 3.4 14 14 A 19 CYS H A 20 LYS H 1.0 2.0 5.0 15 15 A 20 LYS H A 21 LEU H 1.0 2.4 6.0 16 16 A 21 LEU H A 22 ARG H 1.0 2.4 6.0 17 17 A 24 GLY H A 25 ALA H 1.0 2.0 5.0 18 18 A 25 ALA H A 26 GLN H 1.0 2.0 5.0 19 19 A 26 GLN H A 27 CYS H 1.0 1.8 3.4 20 20 A 27 CYS H A 28 GLY H 1.0 2.4 6.0 21 21 A 28 GLY H A 29 GLU H 1.0 1.8 3.4 22 22 A 29 GLU H A 30 GLY H 1.0 2.4 6.0 23 23 A 30 GLY H A 31 LEU H 1.0 2.4 6.0 24 24 A 31 LEU H A 32 CYS H 1.0 2.0 5.0 25 25 A 32 CYS H A 33 CYS H 1.0 2.0 5.0 26 26 A 33 CYS H A 34 GLU H 1.0 2.4 6.0 27 27 A 34 GLU H A 35 GLN H 1.0 2.4 6.0 28 28 A 35 GLN H A 36 CYS H 1.0 2.0 5.0 29 29 A 36 CYS H A 37 LYS H 1.0 2.0 5.0 30 30 A 37 LYS H A 38 PHE H 1.0 2.4 6.0 31 31 A 38 PHE H A 39 SER H 1.0 2.4 6.0 32 32 A 39 SER H A 40 ARG H 1.0 2.4 6.0 33 33 A 42 GLY H A 43 LYS H 1.0 2.0 5.0 34 34 A 43 LYS H A 44 ILE H 1.0 2.4 6.0 35 35 A 44 ILE H A 45 CYS H 1.0 2.4 6.0 36 36 A 45 CYS H A 46 ARG H 1.0 2.0 5.0 37 37 A 46 ARG H A 47 ILE H 1.0 2.0 5.0 38 38 A 50 LEU H A 51 ASP H 1.0 2.4 6.0 39 39 A 51 ASP H A 52 MET H 1.0 2.4 6.0 40 40 A 54 ASP H A 55 ASP H 1.0 2.0 5.0 41 41 A 56 ARG H A 57 CYS H 1.0 2.4 6.0 42 42 A 57 CYS H A 58 THR H 1.0 2.4 6.0 43 43 A 58 THR H A 59 GLY H 1.0 2.0 5.0 44 44 A 59 GLY H A 60 GLN H 1.0 2.0 5.0 45 45 A 60 GLN H A 61 SER H 1.0 1.8 3.4 46 46 A 61 SER H A 62 ALA H 1.0 2.4 6.0 47 47 A 62 ALA H A 63 ASP H 1.0 2.0 5.0 48 48 A 63 ASP H A 64 CYS H 1.0 2.4 6.0 49 49 A 66 ARG H A 67 TYR H 1.0 2.0 5.0 50 50 A 67 TYR H A 68 HIS H 1.0 2.0 5.0 51 51 A 4 CYS H A 3 GLU HA 1.0 1.8 3.4 52 52 A 5 ASP H A 4 CYS HA 1.0 1.8 3.4 53 53 A 7 SER H A 6 CYS HA 1.0 2.0 5.0 54 54 A 8 SER H A 7 SER HA 1.0 2.0 5.0 55 55 A 10 GLU H A 9 PRO HA 1.0 2.0 5.0 56 56 A 11 ASN H A 10 GLU HA 1.0 2.0 5.0 57 57 A 13 CYS H A 12 PRO HA 1.0 2.0 5.0 58 58 A 14 CYS H A 13 CYS HA 1.0 2.0 5.0 59 59 A 15 ASP H A 14 CYS HA 1.0 1.8 3.4 60 60 A 16 ALA H A 15 ASP HA 1.0 1.8 3.4 61 61 A 17 ALA H A 16 ALA HA 1.0 2.0 5.0 62 62 A 20 LYS H A 19 CYS HA 1.0 2.0 5.0 63 63 A 21 LEU H A 20 LYS HA 1.0 1.8 3.4 64 64 A 22 ARG H A 21 LEU HA 1.0 1.8 3.4 65 65 A 24 GLY H A 23 PRO HA 1.0 1.8 3.4 66 66 A 26 GLN H A 25 ALA HA 1.0 1.8 3.4 67 67 A 27 CYS H A 26 GLN HA 1.0 2.0 5.0 68 68 A 28 GLY H A 27 CYS HA 1.0 1.8 3.4 69 69 A 30 GLY H A 29 GLU HA 1.0 1.8 3.4 70 70 A 32 CYS H A 31 LEU HA 1.0 2.0 5.0 71 71 A 33 CYS H A 32 CYS HA 1.0 2.0 5.0 72 72 A 34 GLU H A 33 CYS HA 1.0 1.8 3.4 73 73 A 35 GLN H A 34 GLU HA 1.0 1.8 3.4 74 74 A 36 CYS H A 35 GLN HA 1.0 2.0 5.0 75 75 A 37 LYS H A 36 CYS HA 1.0 2.0 5.0 76 76 A 38 PHE H A 37 LYS HA 1.0 1.8 3.4 77 77 A 39 SER H A 38 PHE HA 1.0 1.8 3.4 78 78 A 40 ARG H A 39 SER HA 1.0 1.8 3.4 79 79 A 41 ALA H A 40 ARG HA 1.0 1.8 3.4 80 80 A 42 GLY H A 41 ALA HA 1.0 1.8 3.4 81 81 A 44 ILE H A 43 LYS HA 1.0 2.0 5.0 82 82 A 45 CYS H A 44 ILE HA 1.0 1.8 3.4 83 83 A 46 ARG H A 45 CYS HA 1.0 2.0 5.0 84 84 A 47 ILE H A 46 ARG HA 1.0 2.0 5.0 85 85 A 50 LEU H A 49 ARG HA 1.0 2.0 5.0 86 86 A 52 MET H A 51 ASP HA 1.0 2.0 5.0 87 87 A 54 ASP H A 53 PRO HA 1.0 1.8 3.4 88 88 A 55 ASP H A 54 ASP HA 1.0 1.8 3.4 89 89 A 56 ARG H A 55 ASP HA 1.0 1.8 3.4 90 90 A 57 CYS H A 56 ARG HA 1.0 1.8 3.4 91 91 A 58 THR H A 57 CYS HA 1.0 1.8 3.4 92 92 A 61 SER H A 60 GLN HA 1.0 2.0 5.0 93 93 A 62 ALA H A 61 SER HA 1.0 2.0 5.0 94 94 A 64 CYS H A 63 ASP HA 1.0 1.8 3.4 95 95 A 66 ARG H A 65 PRO HA 1.0 2.0 5.0 96 96 A 67 TYR H A 66 ARG HA 1.0 1.8 3.4 97 97 A 68 HIS H A 67 TYR HA 1.0 2.0 5.0 98 98 A 2 LYS H A 1 GLY HAx 1.0 1.8 6.0 99 98 A 2 LYS H A 1 GLY HAy 1.0 1.8 6.0 100 99 A 25 ALA H A 24 GLY HAy 1.0 2.0 5.0 101 100 A 25 ALA H A 24 GLY HAx 1.0 2.0 5.0 102 101 A 29 GLU H A 28 GLY HAx 1.0 2.0 5.0 103 102 A 29 GLU H A 28 GLY HAy 1.0 2.0 5.0 104 103 A 31 LEU H A 30 GLY HAx 1.0 1.8 3.4 105 104 A 31 LEU H A 30 GLY HAy 1.0 1.8 3.4 106 105 A 43 LYS H A 42 GLY HAx 1.0 2.0 5.0 107 106 A 43 LYS H A 42 GLY HAy 1.0 2.0 5.0 108 107 A 51 ASP H A 50 LEU HA 1.0 2.0 5.0 109 108 A 60 GLN H A 59 GLY HAy 1.0 2.0 5.0 110 109 A 60 GLN H A 59 GLY HAx 1.0 2.4 6.0 111 110 A 5 ASP H A 20 LYS H 1.0 2.4 6.0 112 111 A 5 ASP H A 21 LEU H 1.0 2.4 6.0 113 112 A 15 ASP H A 22 ARG H 1.0 2.4 6.0 114 113 A 15 ASP H A 20 LYS H 1.0 2.4 6.0 115 114 A 14 CYS H A 22 ARG H 1.0 2.4 6.0 116 115 A 26 GLN H A 38 PHE H 1.0 2.4 6.0 117 116 A 27 CYS H A 36 CYS H 1.0 2.4 6.0 118 117 A 27 CYS H A 38 PHE H 1.0 2.4 6.0 119 118 A 33 CYS H A 39 SER H 1.0 2.4 6.0 120 119 A 34 GLU H A 39 SER H 1.0 2.4 6.0 121 120 A 26 GLN H A 37 LYS H 1.0 2.4 6.0 122 121 A 42 GLY H A 57 CYS H 1.0 2.4 6.0 123 122 A 43 LYS H A 57 CYS H 1.0 2.0 5.0 124 123 A 45 CYS H A 55 ASP H 1.0 2.4 6.0 125 124 A 45 CYS H A 57 CYS H 1.0 2.4 6.0 126 125 A 46 ARG H A 55 ASP H 1.0 2.4 6.0 127 126 A 13 CYS H A 28 GLY HAy 1.0 2.4 6.0 128 127 A 13 CYS H A 28 GLY HAx 1.0 2.4 6.0 129 128 A 14 CYS H A 21 LEU HA 1.0 2.4 6.0 130 129 A 21 LEU H A 14 CYS HA 1.0 2.4 6.0 131 130 A 22 ARG H A 14 CYS HA 1.0 1.8 3.4 132 131 A 26 GLN H A 37 LYS HA 1.0 2.0 5.0 133 132 A 27 CYS H A 37 LYS HA 1.0 2.0 5.0 134 133 A 31 LEU H A 64 CYS HA 1.0 2.4 6.0 135 134 A 32 CYS H A 63 ASP HA 1.0 2.0 5.0 136 135 A 34 GLU H A 39 SER HA 1.0 2.4 6.0 137 136 A 37 LYS H A 25 ALA HA 1.0 2.4 6.0 138 137 A 38 PHE H A 26 GLN HA 1.0 2.4 6.0 139 138 A 38 PHE H A 33 CYS HA 1.0 2.4 6.0 140 139 A 39 SER H A 33 CYS HA 1.0 2.0 5.0 141 140 A 43 LYS H A 56 ARG HA 1.0 2.4 6.0 142 141 A 43 LYS H A 57 CYS HA 1.0 2.0 5.0 143 142 A 44 ILE H A 56 ARG HA 1.0 2.4 6.0 144 143 A 45 CYS H A 56 ARG HA 1.0 2.0 5.0 145 144 A 46 ARG H A 56 ARG HA 1.0 2.4 6.0 146 145 A 55 ASP H A 44 ILE HA 1.0 2.4 6.0 147 146 A 57 CYS H A 41 ALA HA 1.0 2.4 6.0 148 147 A 57 CYS H A 42 GLY HAx 1.0 2.4 6.0 149 148 A 57 CYS H A 42 GLY HAy 1.0 2.4 6.0 150 149 A 57 CYS H A 43 LYS HA 1.0 2.4 6.0 151 150 A 57 CYS H A 44 ILE HA 1.0 2.0 5.0 152 151 A 57 CYS H A 45 CYS HA 1.0 2.4 6.0 153 152 A 58 THR H A 41 ALA HA 1.0 2.4 6.0 154 153 A 59 GLY H A 41 ALA HA 1.0 2.4 6.0 155 154 A 62 ALA H A 30 GLY HAx 1.0 2.4 6.0 156 155 A 64 CYS H A 31 LEU HA 1.0 2.4 6.0 157 156 A 5 ASP H A 19 CYS HBy 1.0 2.4 6.0 158 157 A 5 ASP H A 20 LYS HBy 1.0 2.0 5.0 159 158 A 6 CYS H A 19 CYS HBy 1.0 2.4 6.0 160 159 A 15 ASP H A 21 LEU HBx 1.0 2.4 6.0 161 160 A 19 CYS H A 14 CYS HBy 1.0 2.4 6.0 162 161 A 20 LYS H A 14 CYS HBy 1.0 2.4 6.0 163 162 A 20 LYS H A 15 ASP HBy 1.0 2.4 6.0 164 163 A 22 ARG H A 14 CYS HBy 1.0 2.4 6.0 165 164 A 25 ALA H A 36 CYS HBy 1.0 2.4 6.0 166 165 A 26 GLN H A 36 CYS HBy 1.0 2.4 6.0 167 166 A 27 CYS H A 21 LEU HBx 1.0 2.4 6.0 168 167 A 27 CYS H A 36 CYS HBy 1.0 2.0 5.0 169 168 A 28 GLY H A 13 CYS HBy 1.0 2.4 6.0 170 169 A 28 GLY H A 21 LEU HBx 1.0 2.4 6.0 171 170 A 31 LEU H A 45 CYS HBx 1.0 2.4 6.0 172 171 A 31 LEU H A 63 ASP HBy 1.0 2.4 6.0 173 172 A 31 LEU H A 64 CYS HBy 1.0 2.0 5.0 174 173 A 38 PHE H A 26 GLN HBy 1.0 2.0 5.0 175 174 A 39 SER H A 32 CYS HBy 1.0 2.4 6.0 176 175 A 39 SER H A 33 CYS HBy 1.0 2.4 6.0 177 176 A 41 ALA H A 57 CYS HBx 1.0 2.4 6.0 178 177 A 42 GLY H A 57 CYS HBx 1.0 2.4 6.0 179 178 A 43 LYS H A 57 CYS HBx 1.0 2.0 5.0 180 179 A 45 CYS H A 55 ASP HBx 1.0 2.4 6.0 181 180 A 46 ARG H A 54 ASP HBx 1.0 2.4 6.0 182 181 A 46 ARG H A 55 ASP HBx 1.0 2.4 6.0 183 182 A 57 CYS H A 45 CYS HBx 1.0 2.4 6.0 184 183 A 61 SER H A 38 PHE HBy 1.0 2.4 6.0 185 184 A 62 ALA H A 27 CYS HBy 1.0 2.4 6.0 186 185 A 64 CYS H A 31 LEU HBy 1.0 2.4 6.0 187 186 A 5 ASP H A 19 CYS HBx 1.0 2.4 6.0 188 187 A 6 CYS H A 19 CYS HBx 1.0 2.4 6.0 189 188 A 7 SER H A 29 GLU HBx 1.0 2.4 6.0 190 189 A 15 ASP H A 21 LEU HBy 1.0 2.4 6.0 191 190 A 20 LYS H A 15 ASP HBx 1.0 2.0 5.0 192 191 A 22 ARG H A 14 CYS HBx 1.0 2.4 6.0 193 192 A 25 ALA H A 36 CYS HBx 1.0 2.4 6.0 194 193 A 26 GLN H A 36 CYS HBx 1.0 2.4 6.0 195 194 A 27 CYS H A 21 LEU HBy 1.0 2.4 6.0 196 195 A 27 CYS H A 36 CYS HBx 1.0 2.0 5.0 197 196 A 28 GLY H A 21 LEU HBy 1.0 2.4 6.0 198 197 A 31 LEU H A 45 CYS HBy 1.0 2.4 6.0 199 198 A 31 LEU H A 63 ASP HBx 1.0 2.4 6.0 200 199 A 31 LEU H A 64 CYS HBx 1.0 2.4 6.0 201 200 A 37 LYS H A 26 GLN HBx 1.0 2.4 6.0 202 201 A 43 LYS H A 57 CYS HBy 1.0 2.0 5.0 203 202 A 46 ARG H A 54 ASP HBy 1.0 2.4 6.0 204 203 A 46 ARG H A 55 ASP HBy 1.0 2.4 6.0 205 204 A 46 ARG H A 64 CYS HBx 1.0 2.4 6.0 206 205 A 57 CYS H A 45 CYS HBy 1.0 2.4 6.0 207 206 A 61 SER H A 38 PHE HBx 1.0 2.4 6.0 208 207 A 62 ALA H A 27 CYS HBx 1.0 2.4 6.0 209 208 A 64 CYS H A 31 LEU HBx 1.0 2.0 5.0 210 209 A 13 CYS H A 25 ALA HB% 1.0 2.3 7.0 211 210 A 20 LYS H A 5 ASP HBx 1.0 2.3 7.0 212 210 A 20 LYS H A 5 ASP HBy 1.0 2.3 7.0 213 211 A 21 LEU H A 5 ASP HBx 1.0 1.8 6.0 214 211 A 21 LEU H A 5 ASP HBy 1.0 1.8 6.0 215 212 A 27 CYS H A 62 ALA HB% 1.0 2.3 7.0 216 213 A 28 GLY H A 5 ASP HBx 1.0 2.3 7.0 217 213 A 28 GLY H A 5 ASP HBy 1.0 2.3 7.0 218 214 A 28 GLY H A 62 ALA HB% 1.0 1.8 6.0 219 215 A 29 GLU H A 62 ALA HB% 1.0 1.8 6.0 220 216 A 30 GLY H A 62 ALA HB% 1.0 2.3 7.0 221 217 A 33 CYS H A 62 ALA HB% 1.0 1.8 6.0 222 218 A 42 GLY H A 56 ARG HBx 1.0 2.3 7.0 223 218 A 42 GLY H A 56 ARG HBy 1.0 2.3 7.0 224 219 A 45 CYS H A 56 ARG HBx 1.0 1.8 6.0 225 219 A 45 CYS H A 56 ARG HBy 1.0 1.8 6.0 226 220 A 55 ASP H A 46 ARG HBx 1.0 2.3 7.0 227 220 A 55 ASP H A 46 ARG HBy 1.0 2.3 7.0 228 221 A 57 CYS H A 44 ILE HB 1.0 2.4 6.0 229 222 A 59 GLY H A 41 ALA HB% 1.0 1.8 6.0 230 223 A 60 GLN H A 41 ALA HB% 1.0 2.3 7.0 231 224 A 7 SER H A 29 GLU HGy 1.0 2.4 6.0 232 225 A 27 CYS H A 21 LEU HG 1.0 2.4 6.0 233 226 A 28 GLY H A 21 LEU HG 1.0 2.4 6.0 234 227 A 38 PHE H A 26 GLN HGy 1.0 2.0 5.0 235 228 A 38 PHE H A 26 GLN HGx 1.0 2.0 5.0 236 229 A 42 GLY H A 56 ARG HGx 1.0 2.3 7.0 237 229 A 42 GLY H A 56 ARG HGy 1.0 2.3 7.0 238 230 A 45 CYS H A 56 ARG HGx 1.0 1.8 6.0 239 230 A 45 CYS H A 56 ARG HGy 1.0 1.8 6.0 240 231 A 64 CYS H A 31 LEU HG 1.0 2.4 6.0 241 232 A 5 ASP H A 21 LEU HDy% 1.0 2.3 7.0 242 233 A 13 CYS H A 21 LEU HDy% 1.0 2.3 7.0 243 234 A 14 CYS H A 21 LEU HDy% 1.0 2.3 7.0 244 235 A 15 ASP H A 21 LEU HDy% 1.0 2.3 7.0 245 236 A 27 CYS H A 21 LEU HDy% 1.0 1.8 6.0 246 237 A 28 GLY H A 21 LEU HDy% 1.0 1.8 6.0 247 238 A 29 GLU H A 21 LEU HDy% 1.0 2.3 7.0 248 239 A 44 ILE H A 56 ARG HDy 1.0 2.3 7.0 249 239 A 44 ILE H A 56 ARG HDx 1.0 2.3 7.0 250 240 A 5 ASP H A 21 LEU HDx% 1.0 2.3 7.0 251 241 A 27 CYS H A 21 LEU HDx% 1.0 1.8 6.0 252 242 A 28 GLY H A 21 LEU HDx% 1.0 2.3 7.0 253 243 A 29 GLU H A 21 LEU HDx% 1.0 2.3 7.0 254 244 A 58 THR H A 65 PRO HDx 1.0 2.4 6.0 255 245 A 42 GLY H A 56 ARG HDy 1.0 2.3 7.0 256 245 A 42 GLY H A 56 ARG HDx 1.0 2.3 7.0 257 246 A 46 ARG H A 31 LEU HDx% 1.0 2.3 8.0 258 246 A 46 ARG H A 31 LEU HDy% 1.0 2.3 8.0 259 247 A 54 ASP H A 44 ILE HD1% 1.0 2.3 7.0 260 248 A 54 ASP H A 48 PRO HDx 1.0 2.3 7.0 261 248 A 54 ASP H A 48 PRO HDy 1.0 2.3 7.0 262 249 A 55 ASP H A 48 PRO HDx 1.0 2.3 7.0 263 249 A 55 ASP H A 48 PRO HDy 1.0 2.3 7.0 264 250 A 55 ASP H A 44 ILE HD1% 1.0 2.3 7.0 265 251 A 57 CYS H A 44 ILE HD1% 1.0 2.3 7.0 266 252 A 64 CYS H A 31 LEU HDx% 1.0 1.8 7.4 267 252 A 64 CYS H A 31 LEU HDy% 1.0 1.8 7.4 268 253 A 3 GLU HA A 20 LYS HBy 1.0 2.0 5.0 269 254 A 3 GLU HA A 20 LYS HGx 1.0 1.8 3.4 270 254 A 3 GLU HA A 20 LYS HGy 1.0 1.8 3.4 271 255 A 3 GLU HA A 20 LYS HDx 1.0 1.8 6.0 272 255 A 3 GLU HA A 20 LYS HDy 1.0 1.8 6.0 273 256 A 4 CYS HA A 19 CYS HA 1.0 2.4 6.0 274 257 A 4 CYS HA A 19 CYS HBx 1.0 2.4 6.0 275 258 A 4 CYS HA A 19 CYS HBy 1.0 2.4 6.0 276 259 A 4 CYS HA A 20 LYS HBx 1.0 2.4 6.0 277 260 A 4 CYS HA A 20 LYS HBy 1.0 2.0 5.0 278 261 A 4 CYS HA A 20 LYS HGx 1.0 1.8 5.2 279 261 A 4 CYS HA A 20 LYS HGy 1.0 1.8 5.2 280 262 A 20 LYS HBy A 5 ASP HBx 1.0 1.8 5.2 281 262 A 20 LYS HBy A 5 ASP HBy 1.0 1.8 5.2 282 263 A 20 LYS HBx A 5 ASP HBx 1.0 2.3 7.0 283 263 A 5 ASP HBy A 20 LYS HBx 1.0 2.3 7.0 284 264 A 21 LEU HG A 5 ASP HBx 1.0 1.8 5.2 285 264 A 5 ASP HBy A 21 LEU HG 1.0 1.8 5.2 286 265 A 21 LEU HDx% A 5 ASP HBx 1.0 1.8 7.0 287 265 A 5 ASP HBy A 21 LEU HDx% 1.0 1.8 7.0 288 266 A 21 LEU HDy% A 5 ASP HBx 1.0 1.8 7.0 289 266 A 5 ASP HBy A 21 LEU HDy% 1.0 1.8 7.0 290 267 A 6 CYS HA A 28 GLY HAy 1.0 2.4 6.0 291 268 A 6 CYS HA A 14 CYS HBx 1.0 2.3 7.0 292 268 A 6 CYS HA A 14 CYS HBy 1.0 2.3 7.0 293 269 A 6 CYS HA A 29 GLU HBy 1.0 2.0 5.0 294 270 A 6 CYS HA A 29 GLU HBx 1.0 2.0 5.0 295 271 A 6 CYS HA A 29 GLU HGx 1.0 1.8 6.0 296 271 A 6 CYS HA A 29 GLU HGy 1.0 1.8 6.0 297 272 A 29 GLU HBy A 6 CYS HBx 1.0 2.4 6.0 298 273 A 29 GLU HBy A 6 CYS HBy 1.0 2.4 6.0 299 274 A 29 GLU HBx A 6 CYS HBy 1.0 2.4 6.0 300 275 A 9 PRO HA A 16 ALA HA 1.0 2.4 6.0 301 276 A 9 PRO HA A 16 ALA HB% 1.0 1.8 6.0 302 277 A 16 ALA HA A 9 PRO HBx 1.0 2.3 7.0 303 277 A 16 ALA HA A 9 PRO HBy 1.0 2.3 7.0 304 278 A 16 ALA HB% A 9 PRO HBx 1.0 1.8 6.0 305 278 A 16 ALA HB% A 9 PRO HBy 1.0 1.8 6.0 306 279 A 13 CYS HA A 36 CYS HBx 1.0 2.4 6.0 307 280 A 13 CYS HA A 21 LEU HG 1.0 2.4 6.0 308 281 A 13 CYS HA A 21 LEU HBx 1.0 2.4 6.0 309 282 A 13 CYS HA A 21 LEU HBy 1.0 2.4 6.0 310 283 A 13 CYS HA A 21 LEU HDy% 1.0 1.8 6.0 311 284 A 21 LEU HDx% A 13 CYS HBx 1.0 2.3 7.0 312 285 A 21 LEU HDy% A 13 CYS HBx 1.0 1.8 6.0 313 286 A 13 CYS HBy A 21 LEU HDy% 1.0 1.8 6.0 314 287 A 13 CYS HBy A 25 ALA HB% 1.0 1.8 6.0 315 288 A 14 CYS HA A 22 ARG HA 1.0 2.4 6.0 316 289 A 14 CYS HA A 21 LEU HA 1.0 1.8 3.4 317 290 A 14 CYS HA A 6 CYS HBx 1.0 2.4 6.0 318 291 A 14 CYS HA A 22 ARG HBy 1.0 1.8 6.0 319 291 A 14 CYS HA A 22 ARG HBx 1.0 1.8 6.0 320 292 A 14 CYS HA A 21 LEU HG 1.0 2.0 5.0 321 293 A 14 CYS HA A 21 LEU HBx 1.0 2.0 5.0 322 294 A 14 CYS HA A 21 LEU HBy 1.0 2.0 5.0 323 295 A 14 CYS HA A 21 LEU HDx% 1.0 2.3 7.0 324 296 A 14 CYS HA A 21 LEU HDy% 1.0 1.8 6.0 325 297 A 21 LEU HDy% A 14 CYS HBx 1.0 2.3 8.0 326 297 A 21 LEU HDy% A 14 CYS HBy 1.0 2.3 8.0 327 298 A 20 LYS HBy A 15 ASP HBy 1.0 2.4 6.0 328 299 A 15 ASP HBy A 20 LYS HBx 1.0 2.4 6.0 329 300 A 15 ASP HBy A 20 LYS HGx 1.0 2.3 7.0 330 300 A 15 ASP HBy A 20 LYS HGy 1.0 2.3 7.0 331 301 A 19 CYS HA A 4 CYS HBx 1.0 2.4 6.0 332 302 A 19 CYS HBx A 4 CYS HBx 1.0 2.0 5.0 333 303 A 19 CYS HBy A 4 CYS HBx 1.0 2.0 5.0 334 304 A 19 CYS HBy A 4 CYS HBy 1.0 2.0 5.0 335 305 A 19 CYS HBx A 4 CYS HBy 1.0 2.0 5.0 336 306 A 20 LYS HA A 5 ASP HBx 1.0 1.8 5.2 337 306 A 20 LYS HA A 5 ASP HBy 1.0 1.8 5.2 338 307 A 21 LEU HA A 15 ASP HBx 1.0 2.3 7.0 339 308 A 21 LEU HA A 14 CYS HBx 1.0 2.3 7.0 340 308 A 21 LEU HA A 14 CYS HBy 1.0 2.3 7.0 341 309 A 25 ALA HA A 36 CYS HBx 1.0 2.0 5.0 342 310 A 25 ALA HA A 36 CYS HBy 1.0 2.0 5.0 343 311 A 36 CYS HBy A 25 ALA HB% 1.0 1.8 6.0 344 312 A 36 CYS HBx A 25 ALA HB% 1.0 1.8 6.0 345 313 A 25 ALA HA A 37 LYS HEx 1.0 1.8 6.0 346 313 A 25 ALA HA A 37 LYS HEy 1.0 1.8 6.0 347 314 A 26 GLN HA A 21 LEU HDy% 1.0 2.3 7.0 348 315 A 26 GLN HA A 21 LEU HDx% 1.0 2.3 7.0 349 316 A 27 CYS HA A 33 CYS HBx 1.0 2.4 6.0 350 317 A 27 CYS HA A 62 ALA HB% 1.0 1.8 6.0 351 318 A 27 CYS HA A 21 LEU HBy 1.0 1.8 6.0 352 318 A 27 CYS HA A 21 LEU HBx 1.0 1.8 6.0 353 319 A 27 CYS HA A 21 LEU HDx% 1.0 1.8 3.4 354 320 A 27 CYS HA A 21 LEU HDy% 1.0 1.8 3.4 355 321 A 33 CYS HBy A 27 CYS HBx 1.0 2.0 5.0 356 322 A 27 CYS HBx A 62 ALA HB% 1.0 1.8 3.4 357 323 A 27 CYS HBx A 21 LEU HDx% 1.0 2.3 7.0 358 324 A 27 CYS HBx A 21 LEU HDy% 1.0 2.3 7.0 359 325 A 27 CYS HBy A 62 ALA HB% 1.0 1.8 3.4 360 326 A 27 CYS HBy A 21 LEU HDx% 1.0 2.3 7.0 361 327 A 27 CYS HBy A 21 LEU HDy% 1.0 2.3 7.0 362 328 A 28 GLY HAx A 13 CYS HBy 1.0 2.0 5.0 363 329 A 28 GLY HAx A 21 LEU HDy% 1.0 1.8 6.0 364 330 A 28 GLY HAy A 13 CYS HBx 1.0 2.4 6.0 365 331 A 28 GLY HAx A 5 ASP HBx 1.0 2.3 7.0 366 331 A 28 GLY HAx A 5 ASP HBy 1.0 2.3 7.0 367 332 A 28 GLY HAy A 13 CYS HBy 1.0 2.0 5.0 368 333 A 28 GLY HAy A 21 LEU HG 1.0 2.4 6.0 369 334 A 28 GLY HAy A 21 LEU HDx% 1.0 2.3 7.0 370 335 A 28 GLY HAy A 21 LEU HDy% 1.0 1.8 6.0 371 336 A 30 GLY HAx A 62 ALA HB% 1.0 1.8 6.0 372 337 A 30 GLY HAy A 62 ALA HB% 1.0 1.8 6.0 373 338 A 31 LEU HA A 64 CYS HBy 1.0 2.4 6.0 374 339 A 32 CYS HA A 39 SER HBx 1.0 2.0 5.0 375 340 A 32 CYS HA A 39 SER HBy 1.0 2.0 5.0 376 341 A 32 CYS HA A 43 LYS HEx 1.0 2.3 7.0 377 341 A 32 CYS HA A 43 LYS HEy 1.0 2.3 7.0 378 342 A 32 CYS HA A 57 CYS HBx 1.0 2.4 6.0 379 343 A 32 CYS HBy A 62 ALA HB% 1.0 1.8 6.0 380 344 A 32 CYS HBy A 43 LYS HGx 1.0 2.4 6.0 381 345 A 33 CYS HA A 38 PHE HA 1.0 2.0 5.0 382 346 A 33 CYS HA A 39 SER HA 1.0 2.4 6.0 383 347 A 33 CYS HA A 27 CYS HBy 1.0 2.4 6.0 384 348 A 33 CYS HA A 39 SER HBy 1.0 2.4 6.0 385 349 A 36 CYS HBx A 13 CYS HBx 1.0 2.4 6.0 386 350 A 13 CYS HBy A 36 CYS HBx 1.0 2.4 6.0 387 351 A 36 CYS HBx A 25 ALA HB% 1.0 1.8 3.4 388 352 A 36 CYS HBx A 21 LEU HDy% 1.0 2.3 7.0 389 353 A 36 CYS HBy A 25 ALA HB% 1.0 1.8 6.0 390 354 A 36 CYS HBy A 21 LEU HDy% 1.0 2.3 7.0 391 355 A 26 GLN HA A 37 LYS HA 1.0 2.4 6.0 392 356 A 37 LYS HA A 26 GLN HBx 1.0 2.0 5.0 393 357 A 37 LYS HA A 26 GLN HBy 1.0 2.0 5.0 394 358 A 38 PHE HBy A 60 GLN HGx 1.0 2.3 7.0 395 358 A 38 PHE HBy A 60 GLN HGy 1.0 2.3 7.0 396 359 A 39 SER HA A 34 GLU HGx 1.0 1.8 6.0 397 359 A 39 SER HA A 34 GLU HGy 1.0 1.8 6.0 398 360 A 39 SER HA A 34 GLU HBx 1.0 2.4 6.0 399 361 A 39 SER HA A 34 GLU HBy 1.0 2.0 5.0 400 362 A 57 CYS HBx A 39 SER HBy 1.0 2.0 5.0 401 363 A 32 CYS HBy A 39 SER HBy 1.0 2.0 5.0 402 364 A 40 ARG HA A 59 GLY HAy 1.0 2.0 5.0 403 365 A 41 ALA HA A 57 CYS HA 1.0 2.4 6.0 404 366 A 41 ALA HA A 57 CYS HBx 1.0 2.0 5.0 405 367 A 42 GLY HAx A 56 ARG HDy 1.0 2.0 5.0 406 368 A 42 GLY HAx A 56 ARG HDx 1.0 2.0 5.0 407 369 A 42 GLY HAy A 56 ARG HBx 1.0 2.3 7.0 408 369 A 42 GLY HAy A 56 ARG HBy 1.0 2.3 7.0 409 370 A 42 GLY HAy A 56 ARG HDy 1.0 2.0 5.0 410 371 A 43 LYS HA A 57 CYS HBx 1.0 2.4 6.0 411 372 A 44 ILE HA A 56 ARG HBx 1.0 1.8 5.2 412 372 A 44 ILE HA A 56 ARG HBy 1.0 1.8 5.2 413 373 A 44 ILE HA A 56 ARG HGx 1.0 1.8 5.2 414 373 A 44 ILE HA A 56 ARG HGy 1.0 1.8 5.2 415 374 A 44 ILE HA A 56 ARG HDy 1.0 2.0 5.0 416 375 A 44 ILE HA A 56 ARG HDx 1.0 2.0 5.0 417 376 A 44 ILE HA A 54 ASP HBy 1.0 2.4 6.0 418 377 A 44 ILE HA A 54 ASP HBx 1.0 2.4 6.0 419 378 A 45 CYS HA A 64 CYS HBx 1.0 2.0 5.0 420 379 A 45 CYS HA A 64 CYS HBy 1.0 2.0 5.0 421 380 A 45 CYS HA A 31 LEU HG 1.0 2.4 6.0 422 381 A 45 CYS HA A 31 LEU HBx 1.0 2.0 5.0 423 382 A 45 CYS HA A 31 LEU HBy 1.0 2.0 5.0 424 383 A 45 CYS HA A 31 LEU HDx% 1.0 1.8 7.4 425 383 A 45 CYS HA A 31 LEU HDy% 1.0 1.8 7.4 426 384 A 64 CYS HBy A 45 CYS HBy 1.0 2.0 5.0 427 385 A 45 CYS HBy A 31 LEU HDx% 1.0 1.8 7.4 428 385 A 45 CYS HBy A 31 LEU HDy% 1.0 1.8 7.4 429 386 A 31 LEU HA A 45 CYS HBx 1.0 2.4 6.0 430 387 A 46 ARG HA A 31 LEU HDx% 1.0 2.3 8.4 431 387 A 46 ARG HA A 31 LEU HDy% 1.0 2.3 8.4 432 388 A 46 ARG HA A 55 ASP HBx 1.0 2.0 5.0 433 389 A 55 ASP HBy A 46 ARG HGy 1.0 2.4 6.0 434 390 A 55 ASP HBx A 46 ARG HGy 1.0 2.4 6.0 435 391 A 55 ASP HBy A 46 ARG HGx 1.0 2.4 6.0 436 392 A 55 ASP HBx A 46 ARG HGx 1.0 2.4 6.0 437 393 A 55 ASP HBy A 46 ARG HDy 1.0 2.4 6.0 438 394 A 55 ASP HBx A 46 ARG HDy 1.0 2.4 6.0 439 395 A 46 ARG HDy A 31 LEU HDx% 1.0 2.3 8.4 440 395 A 31 LEU HDy% A 46 ARG HDy 1.0 2.3 8.4 441 396 A 55 ASP HBy A 46 ARG HDx 1.0 2.0 5.0 442 397 A 55 ASP HBx A 46 ARG HDx 1.0 2.4 6.0 443 398 A 46 ARG HDx A 31 LEU HDx% 1.0 2.3 8.4 444 398 A 31 LEU HDy% A 46 ARG HDx 1.0 2.3 8.4 445 399 A 54 ASP HA A 44 ILE HD1% 1.0 1.8 6.0 446 400 A 54 ASP HA A 44 ILE HG2% 1.0 2.3 7.0 447 401 A 54 ASP HA A 48 PRO HDy 1.0 2.0 5.0 448 402 A 54 ASP HA A 48 PRO HDx 1.0 2.0 5.0 449 403 A 54 ASP HA A 48 PRO HBx 1.0 2.3 7.0 450 403 A 54 ASP HA A 48 PRO HBy 1.0 2.3 7.0 451 404 A 54 ASP HA A 48 PRO HGx 1.0 1.8 6.0 452 404 A 54 ASP HA A 48 PRO HGy 1.0 1.8 6.0 453 405 A 54 ASP HA A 47 ILE HG1x 1.0 2.4 6.0 454 406 A 54 ASP HA A 47 ILE HG2% 1.0 1.8 6.0 455 407 A 54 ASP HA A 47 ILE HD1% 1.0 2.3 7.0 456 408 A 54 ASP HBy A 44 ILE HD1% 1.0 1.8 6.0 457 409 A 54 ASP HBy A 44 ILE HG1x 1.0 2.3 7.0 458 409 A 54 ASP HBy A 44 ILE HG1y 1.0 2.3 7.0 459 410 A 54 ASP HBy A 44 ILE HG2% 1.0 1.8 6.0 460 411 A 54 ASP HBy A 47 ILE HA 1.0 2.4 6.0 461 412 A 54 ASP HBx A 44 ILE HG1x 1.0 1.8 5.2 462 412 A 54 ASP HBx A 44 ILE HG1y 1.0 1.8 5.2 463 413 A 54 ASP HBx A 44 ILE HG2% 1.0 1.8 6.0 464 414 A 54 ASP HBx A 44 ILE HD1% 1.0 1.8 6.0 465 415 A 55 ASP HA A 46 ARG HBx 1.0 1.8 6.0 466 415 A 55 ASP HA A 46 ARG HBy 1.0 1.8 6.0 467 416 A 55 ASP HBy A 46 ARG HBx 1.0 1.8 6.0 468 416 A 55 ASP HBy A 46 ARG HBy 1.0 1.8 6.0 469 417 A 55 ASP HBx A 44 ILE HG2% 1.0 1.8 6.0 470 418 A 55 ASP HBx A 44 ILE HD1% 1.0 2.3 7.0 471 419 A 55 ASP HBx A 46 ARG HBx 1.0 1.8 5.2 472 419 A 55 ASP HBx A 46 ARG HBy 1.0 1.8 5.2 473 420 A 56 ARG HA A 42 GLY HAx 1.0 2.4 6.0 474 421 A 56 ARG HA A 42 GLY HAy 1.0 2.4 6.0 475 422 A 44 ILE HA A 56 ARG HA 1.0 1.8 3.4 476 423 A 56 ARG HA A 45 CYS HBx 1.0 2.4 6.0 477 424 A 56 ARG HA A 44 ILE HB 1.0 2.0 5.0 478 425 A 56 ARG HA A 44 ILE HG1x 1.0 1.8 5.2 479 425 A 56 ARG HA A 44 ILE HG1y 1.0 1.8 5.2 480 426 A 56 ARG HA A 44 ILE HG2% 1.0 1.8 6.0 481 427 A 56 ARG HA A 44 ILE HD1% 1.0 1.8 6.0 482 428 A 44 ILE HD1% A 56 ARG HDy 1.0 1.8 6.0 483 429 A 44 ILE HA A 56 ARG HDx 1.0 2.4 6.0 484 430 A 56 ARG HDx A 44 ILE HG2% 1.0 2.3 7.0 485 431 A 56 ARG HDx A 44 ILE HD1% 1.0 2.3 7.0 486 432 A 57 CYS HA A 64 CYS HA 1.0 2.4 6.0 487 433 A 57 CYS HA A 65 PRO HDx 1.0 2.4 6.0 488 434 A 57 CYS HA A 65 PRO HDy 1.0 2.4 6.0 489 435 A 57 CYS HA A 65 PRO HGx 1.0 2.4 6.0 490 436 A 57 CYS HBy A 43 LYS HBx 1.0 1.8 5.2 491 436 A 57 CYS HBy A 43 LYS HBy 1.0 1.8 5.2 492 437 A 57 CYS HBy A 43 LYS HGx 1.0 2.0 5.0 493 438 A 57 CYS HBy A 43 LYS HGy 1.0 2.0 5.0 494 439 A 57 CYS HBx A 43 LYS HBx 1.0 1.8 6.0 495 439 A 57 CYS HBx A 43 LYS HBy 1.0 1.8 6.0 496 440 A 57 CYS HBx A 43 LYS HGx 1.0 2.0 5.0 497 441 A 57 CYS HBx A 43 LYS HGy 1.0 2.0 5.0 498 442 A 57 CYS HBx A 41 ALA HB% 1.0 2.3 7.0 499 443 A 41 ALA HB% A 58 THR HA 1.0 2.3 7.0 500 444 A 41 ALA HB% A 58 THR HB 1.0 1.8 6.0 501 445 A 58 THR HA A 60 GLN HGx 1.0 2.3 7.0 502 445 A 60 GLN HGy A 58 THR HA 1.0 2.3 7.0 503 446 A 41 ALA HA A 59 GLY HAy 1.0 2.0 5.0 504 447 A 41 ALA HB% A 59 GLY HAy 1.0 1.8 3.4 505 448 A 33 CYS HA A 62 ALA HA 1.0 2.4 6.0 506 449 A 32 CYS HA A 62 ALA HA 1.0 2.0 5.0 507 450 A 62 ALA HA A 32 CYS HBx 1.0 2.0 5.0 508 451 A 32 CYS HBy A 62 ALA HA 1.0 2.0 5.0 509 452 A 31 LEU HA A 63 ASP HA 1.0 2.4 6.0 510 453 A 63 ASP HA A 31 LEU HBx 1.0 2.0 5.0 511 454 A 63 ASP HA A 31 LEU HG 1.0 2.0 5.0 512 455 A 63 ASP HA A 31 LEU HDx% 1.0 2.3 8.4 513 455 A 63 ASP HA A 31 LEU HDy% 1.0 2.3 8.4 514 456 A 63 ASP HBx A 31 LEU HBx 1.0 2.4 6.0 515 457 A 64 CYS HA A 31 LEU HBx 1.0 2.4 6.0 516 458 A 64 CYS HA A 31 LEU HBy 1.0 2.4 6.0 517 459 A 64 CYS HA A 31 LEU HDx% 1.0 1.8 7.4 518 459 A 64 CYS HA A 31 LEU HDy% 1.0 1.8 7.4 519 460 A 64 CYS HA A 45 CYS HBy 1.0 2.4 6.0 520 461 A 64 CYS HA A 45 CYS HBx 1.0 2.4 6.0 521 462 A 64 CYS HA A 58 THR HG2% 1.0 2.3 7.0 522 463 A 64 CYS HBx A 31 LEU HG 1.0 2.0 5.0 523 464 A 64 CYS HBx A 31 LEU HDx% 1.0 1.8 5.2 524 464 A 64 CYS HBx A 31 LEU HDy% 1.0 1.8 5.2 525 465 A 64 CYS HBy A 31 LEU HG 1.0 2.0 5.0 526 466 A 64 CYS HBy A 31 LEU HBx 1.0 2.0 5.0 527 467 A 64 CYS HBy A 31 LEU HBy 1.0 2.0 5.0 528 468 A 64 CYS HBy A 31 LEU HDx% 1.0 1.8 5.2 529 468 A 64 CYS HBy A 31 LEU HDy% 1.0 1.8 5.2 530 469 A 64 CYS HBy A 65 PRO HDx 1.0 2.4 6.0 531 470 A 64 CYS HBy A 65 PRO HDy 1.0 2.4 6.0 532 471 A 58 THR HG2% A 65 PRO HDy 1.0 2.3 7.0 533 472 A 58 THR HG2% A 65 PRO HDx 1.0 1.8 6.0 534 473 A 6 CYS HBy A 11 ASN HD2y 1.0 2.4 6.0 535 474 A 6 CYS HBy A 11 ASN HD2x 1.0 2.0 5.0 536 475 A 6 CYS HA A 11 ASN HD2x 1.0 2.4 6.0 537 476 A 28 GLY HAx A 11 ASN HD2y 1.0 2.0 5.0 538 477 A 28 GLY HAy A 11 ASN HD2y 1.0 2.4 6.0 539 478 A 28 GLY HAy A 11 ASN HD2x 1.0 2.4 6.0 540 479 A 29 GLU HBx A 11 ASN HD2y 1.0 2.4 6.0 541 480 A 29 GLU HBy A 11 ASN HD2y 1.0 2.4 6.0 542 481 A 11 ASN HD2y A 29 GLU HGx 1.0 2.4 6.0 543 482 A 29 GLU HGy A 11 ASN HD2y 1.0 2.4 6.0 544 483 A 11 ASN HD2x A 29 GLU HGx 1.0 2.4 6.0 545 484 A 29 GLU HBy A 11 ASN HD2x 1.0 2.4 6.0 546 485 A 29 GLU HBx A 11 ASN HD2x 1.0 2.4 6.0 547 486 A 29 GLU HGy A 11 ASN HD2x 1.0 2.4 6.0 548 487 A 38 PHE H A 26 GLN HE2x 1.0 2.4 6.0 549 488 A 26 GLN HE2y A 38 PHE HE% 1.0 2.3 8.4 550 489 A 26 GLN HA A 38 PHE HD% 1.0 2.3 8.4 551 490 A 26 GLN HGx A 38 PHE HD% 1.0 2.3 8.4 552 491 A 26 GLN HGy A 38 PHE HD% 1.0 1.8 7.4 553 492 A 26 GLN HBx A 38 PHE HD% 1.0 1.8 7.4 554 493 A 26 GLN HBy A 38 PHE HD% 1.0 1.8 7.4 555 494 A 26 GLN HE2y A 38 PHE HE% 1.0 1.8 7.4 556 495 A 26 GLN HGy A 38 PHE HE% 1.0 1.8 7.4 557 496 A 26 GLN HBx A 38 PHE HE% 1.0 1.8 7.4 558 497 A 26 GLN HBy A 38 PHE HE% 1.0 1.8 7.4 559 498 A 27 CYS H A 38 PHE HD% 1.0 2.3 8.4 560 499 A 27 CYS HA A 38 PHE HD% 1.0 2.3 8.4 561 500 A 27 CYS HBx A 38 PHE HD% 1.0 1.8 7.4 562 501 A 27 CYS HBy A 38 PHE HD% 1.0 1.8 7.4 563 502 A 27 CYS H A 38 PHE HE% 1.0 2.3 8.4 564 503 A 27 CYS HBx A 38 PHE HE% 1.0 1.8 5.2 565 504 A 33 CYS HA A 38 PHE HD% 1.0 1.8 7.4 566 505 A 33 CYS HBy A 38 PHE HD% 1.0 2.3 8.4 567 506 A 33 CYS HBy A 38 PHE HE% 1.0 2.3 8.4 568 507 A 60 GLN H A 38 PHE HD% 1.0 2.3 8.4 569 508 A 60 GLN HA A 38 PHE HD% 1.0 1.8 5.2 570 509 A 60 GLN H A 38 PHE HE% 1.0 2.3 8.4 571 510 A 61 SER H A 38 PHE HD% 1.0 2.3 8.4 572 511 A 38 PHE HD% A 61 SER HBy 1.0 2.3 8.4 573 512 A 61 SER H A 38 PHE HE% 1.0 2.3 8.4 574 513 A 61 SER HA A 38 PHE HE% 1.0 2.3 8.4 575 514 A 38 PHE HE% A 61 SER HBy 1.0 2.3 8.4 576 515 A 62 ALA H A 38 PHE HD% 1.0 1.8 7.4 577 516 A 62 ALA HA A 38 PHE HD% 1.0 1.8 7.4 578 517 A 62 ALA H A 38 PHE HE% 1.0 1.8 7.4 579 518 A 63 ASP H A 38 PHE HD% 1.0 2.3 8.4 580 519 A 63 ASP H A 38 PHE HE% 1.0 2.3 8.4 581 520 A 62 ALA HA A 38 PHE HE% 1.0 1.8 7.4 582 521 A 67 TYR HD% A 53 PRO HGx 1.0 2.3 8.4 583 522 A 67 TYR HD% A 53 PRO HGy 1.0 2.3 8.4 584 523 A 53 PRO HGx A 67 TYR HE% 1.0 2.3 8.4 585 524 A 53 PRO HGy A 67 TYR HE% 1.0 2.3 8.4 586 525 A 56 ARG H A 67 TYR HD% 1.0 2.3 8.4 587 526 A 4 CYS H A 6 CYS H 1.0 2.4 6.0 588 527 A 8 SER H A 11 ASN H 1.0 2.4 6.0 589 528 A 16 ALA H A 18 THR H 1.0 2.4 6.0 590 529 A 18 THR H A 20 LYS H 1.0 2.4 6.0 591 530 A 15 ASP H A 19 CYS H 1.0 2.4 6.0 592 531 A 16 ALA H A 19 CYS H 1.0 2.4 6.0 593 532 A 31 LEU H A 33 CYS H 1.0 2.4 6.0 594 533 A 34 GLU H A 36 CYS H 1.0 2.4 6.0 595 534 A 34 GLU H A 37 LYS H 1.0 2.0 5.0 596 535 A 34 GLU H A 38 PHE H 1.0 2.4 6.0 597 536 A 35 GLN H A 37 LYS H 1.0 2.4 6.0 598 537 A 40 ARG H A 43 LYS H 1.0 2.4 6.0 599 538 A 43 LYS H A 41 ALA H 1.0 2.4 6.0 600 539 A 52 MET H A 49 ARG H 1.0 2.4 6.0 601 540 A 50 LEU H A 52 MET H 1.0 2.4 6.0 602 541 A 58 THR H A 60 GLN H 1.0 2.4 6.0 603 542 A 58 THR H A 61 SER H 1.0 2.4 6.0 604 543 A 59 GLY H A 61 SER H 1.0 2.0 5.0 605 544 A 7 SER H A 8 SER HA 1.0 2.4 6.0 606 545 A 8 SER H A 6 CYS HA 1.0 2.0 5.0 607 546 A 10 GLU H A 8 SER HA 1.0 2.4 6.0 608 547 A 11 ASN H A 9 PRO HA 1.0 2.0 5.0 609 548 A 14 CYS H A 12 PRO HA 1.0 2.0 5.0 610 549 A 17 ALA H A 15 ASP HA 1.0 2.4 6.0 611 550 A 18 THR H A 16 ALA HA 1.0 2.4 6.0 612 551 A 19 CYS H A 16 ALA HA 1.0 2.4 6.0 613 552 A 25 ALA H A 23 PRO HA 1.0 2.0 5.0 614 553 A 28 GLY H A 29 GLU HA 1.0 2.4 6.0 615 554 A 29 GLU H A 27 CYS HA 1.0 2.0 5.0 616 555 A 32 CYS H A 33 CYS HA 1.0 2.4 6.0 617 556 A 33 CYS H A 30 GLY HAy 1.0 2.4 6.0 618 557 A 33 CYS H A 30 GLY HAx 1.0 2.4 6.0 619 558 A 34 GLU H A 35 GLN HA 1.0 2.4 6.0 620 559 A 34 GLU H A 38 PHE HA 1.0 2.4 6.0 621 560 A 36 CYS H A 34 GLU HA 1.0 2.4 6.0 622 561 A 37 LYS H A 33 CYS HA 1.0 2.4 6.0 623 562 A 37 LYS H A 35 GLN HA 1.0 2.4 6.0 624 563 A 43 LYS H A 41 ALA HA 1.0 2.0 5.0 625 564 A 46 ARG H A 44 ILE HA 1.0 2.4 6.0 626 565 A 52 MET H A 50 LEU HA 1.0 2.4 6.0 627 566 A 60 GLN H A 58 THR HA 1.0 2.0 5.0 628 567 A 61 SER H A 58 THR HA 1.0 2.0 5.0 629 568 A 63 ASP H A 61 SER HA 1.0 2.0 5.0 630 569 A 4 CYS H A 3 GLU HBy 1.0 2.0 5.0 631 570 A 5 ASP H A 4 CYS HBy 1.0 2.0 5.0 632 571 A 6 CYS H A 4 CYS HBy 1.0 2.0 5.0 633 572 A 7 SER H A 6 CYS HBy 1.0 2.4 6.0 634 573 A 8 SER H A 6 CYS HBy 1.0 2.0 5.0 635 574 A 8 SER H A 11 ASN HBy 1.0 2.4 6.0 636 575 A 10 GLU H A 8 SER HBy 1.0 2.0 5.0 637 576 A 10 GLU H A 11 ASN HBy 1.0 2.0 5.0 638 577 A 11 ASN H A 10 GLU HBy 1.0 2.4 6.0 639 578 A 14 CYS H A 13 CYS HBy 1.0 2.0 5.0 640 579 A 15 ASP H A 14 CYS HBy 1.0 2.0 5.0 641 580 A 16 ALA H A 15 ASP HBy 1.0 2.0 5.0 642 581 A 17 ALA H A 15 ASP HBy 1.0 2.4 6.0 643 582 A 18 THR H A 15 ASP HBy 1.0 2.4 6.0 644 583 A 19 CYS H A 15 ASP HBy 1.0 2.4 6.0 645 584 A 20 LYS H A 19 CYS HBy 1.0 2.4 6.0 646 585 A 21 LEU H A 20 LYS HBy 1.0 2.0 5.0 647 586 A 27 CYS H A 26 GLN HBy 1.0 2.0 5.0 648 587 A 28 GLY H A 27 CYS HBy 1.0 2.0 5.0 649 588 A 28 GLY H A 29 GLU HBy 1.0 2.4 6.0 650 589 A 29 GLU H A 27 CYS HBy 1.0 2.0 5.0 651 590 A 29 GLU H A 33 CYS HBy 1.0 2.4 6.0 652 591 A 30 GLY H A 29 GLU HBy 1.0 2.0 5.0 653 592 A 30 GLY H A 33 CYS HBy 1.0 2.4 6.0 654 593 A 32 CYS H A 31 LEU HBy 1.0 2.0 5.0 655 594 A 34 GLU H A 33 CYS HBy 1.0 2.4 6.0 656 595 A 34 GLU H A 37 LYS HBy 1.0 2.4 6.0 657 596 A 35 GLN H A 34 GLU HBy 1.0 2.0 5.0 658 597 A 36 CYS H A 35 GLN HBy 1.0 2.4 6.0 659 598 A 37 LYS H A 35 GLN HBy 1.0 2.4 6.0 660 599 A 37 LYS H A 36 CYS HBy 1.0 2.4 6.0 661 600 A 38 PHE H A 37 LYS HBy 1.0 2.0 5.0 662 601 A 39 SER H A 38 PHE HBy 1.0 2.0 5.0 663 602 A 40 ARG H A 38 PHE HBy 1.0 2.4 6.0 664 603 A 40 ARG H A 39 SER HBy 1.0 2.0 5.0 665 604 A 46 ARG H A 45 CYS HBx 1.0 2.4 6.0 666 605 A 52 MET H A 51 ASP HBx 1.0 2.4 6.0 667 606 A 56 ARG H A 55 ASP HBx 1.0 2.4 6.0 668 607 A 58 THR H A 57 CYS HBx 1.0 2.4 6.0 669 608 A 59 GLY H A 57 CYS HBx 1.0 2.4 6.0 670 609 A 60 GLN H A 57 CYS HBx 1.0 2.4 6.0 671 610 A 61 SER H A 60 GLN HBy 1.0 2.4 6.0 672 611 A 64 CYS H A 63 ASP HBy 1.0 2.4 6.0 673 612 A 68 HIS H A 67 TYR HBy 1.0 2.0 5.0 674 613 A 4 CYS H A 3 GLU HBx 1.0 2.0 5.0 675 614 A 5 ASP H A 4 CYS HBx 1.0 2.4 6.0 676 615 A 6 CYS H A 4 CYS HBx 1.0 2.0 5.0 677 616 A 7 SER H A 6 CYS HBx 1.0 2.4 6.0 678 617 A 8 SER H A 6 CYS HBx 1.0 2.0 5.0 679 618 A 8 SER H A 7 SER HBx 1.0 2.0 5.0 680 619 A 8 SER H A 11 ASN HBx 1.0 2.0 5.0 681 620 A 10 GLU H A 8 SER HBx 1.0 2.0 5.0 682 621 A 10 GLU H A 11 ASN HBx 1.0 2.0 5.0 683 622 A 11 ASN H A 10 GLU HBx 1.0 2.0 5.0 684 623 A 13 CYS H A 12 PRO HBx 1.0 2.4 6.0 685 624 A 13 CYS H A 12 PRO HBy 1.0 2.0 5.0 686 625 A 13 CYS H A 14 CYS HBx 1.0 2.4 6.0 687 626 A 14 CYS H A 13 CYS HBx 1.0 2.0 5.0 688 627 A 15 ASP H A 14 CYS HBx 1.0 2.0 5.0 689 628 A 16 ALA H A 15 ASP HBx 1.0 2.0 5.0 690 629 A 17 ALA H A 15 ASP HBx 1.0 2.0 5.0 691 630 A 18 THR H A 15 ASP HBx 1.0 2.0 5.0 692 631 A 19 CYS H A 15 ASP HBx 1.0 2.4 6.0 693 632 A 20 LYS H A 19 CYS HBx 1.0 2.4 6.0 694 633 A 21 LEU H A 20 LYS HBx 1.0 2.0 5.0 695 634 A 27 CYS H A 26 GLN HBx 1.0 2.0 5.0 696 635 A 28 GLY H A 27 CYS HBx 1.0 2.0 5.0 697 636 A 28 GLY H A 29 GLU HBx 1.0 2.4 6.0 698 637 A 29 GLU H A 27 CYS HBx 1.0 2.0 5.0 699 638 A 29 GLU H A 33 CYS HBx 1.0 2.4 6.0 700 639 A 30 GLY H A 29 GLU HBx 1.0 2.4 6.0 701 640 A 30 GLY H A 33 CYS HBx 1.0 2.4 6.0 702 641 A 32 CYS H A 31 LEU HBx 1.0 2.0 5.0 703 642 A 32 CYS H A 33 CYS HBx 1.0 2.4 6.0 704 643 A 34 GLU H A 33 CYS HBx 1.0 2.4 6.0 705 644 A 35 GLN H A 34 GLU HBx 1.0 2.4 6.0 706 645 A 36 CYS H A 35 GLN HBx 1.0 2.4 6.0 707 646 A 37 LYS H A 34 GLU HBx 1.0 2.4 6.0 708 647 A 37 LYS H A 35 GLN HBx 1.0 2.4 6.0 709 648 A 37 LYS H A 36 CYS HBx 1.0 2.4 6.0 710 649 A 38 PHE H A 37 LYS HBx 1.0 2.0 5.0 711 650 A 39 SER H A 38 PHE HBx 1.0 2.0 5.0 712 651 A 40 ARG H A 38 PHE HBx 1.0 2.4 6.0 713 652 A 40 ARG H A 39 SER HBx 1.0 2.0 5.0 714 653 A 46 ARG H A 45 CYS HBy 1.0 2.4 6.0 715 654 A 52 MET H A 51 ASP HBy 1.0 2.4 6.0 716 655 A 55 ASP H A 54 ASP HBy 1.0 2.0 5.0 717 656 A 56 ARG H A 55 ASP HBy 1.0 2.4 6.0 718 657 A 58 THR H A 57 CYS HBy 1.0 2.4 6.0 719 658 A 59 GLY H A 57 CYS HBy 1.0 2.4 6.0 720 659 A 60 GLN H A 57 CYS HBy 1.0 2.4 6.0 721 660 A 61 SER H A 60 GLN HBx 1.0 2.0 5.0 722 661 A 64 CYS H A 63 ASP HBx 1.0 2.4 6.0 723 662 A 6 CYS H A 5 ASP HBx 1.0 1.8 6.0 724 662 A 6 CYS H A 5 ASP HBy 1.0 1.8 6.0 725 663 A 11 ASN H A 8 SER HBx 1.0 1.8 6.0 726 663 A 11 ASN H A 8 SER HBy 1.0 1.8 6.0 727 664 A 18 THR H A 16 ALA HB% 1.0 2.3 7.0 728 665 A 18 THR H A 17 ALA HB% 1.0 1.8 3.4 729 666 A 19 CYS H A 16 ALA HB% 1.0 2.3 7.0 730 667 A 19 CYS H A 17 ALA HB% 1.0 2.3 7.0 731 668 A 20 LYS H A 18 THR HB 1.0 2.4 6.0 732 669 A 22 ARG H A 21 LEU HBx 1.0 2.0 5.0 733 670 A 22 ARG H A 21 LEU HBy 1.0 2.0 5.0 734 671 A 24 GLY H A 23 PRO HBy 1.0 1.8 6.0 735 671 A 24 GLY H A 23 PRO HBx 1.0 1.8 6.0 736 672 A 25 ALA H A 21 LEU HBx 1.0 2.4 6.0 737 673 A 25 ALA H A 21 LEU HBy 1.0 2.4 6.0 738 674 A 26 GLN H A 25 ALA HB% 1.0 1.8 6.0 739 675 A 41 ALA H A 40 ARG HBx 1.0 1.8 3.4 740 675 A 41 ALA H A 40 ARG HBy 1.0 1.8 3.4 741 676 A 42 GLY H A 41 ALA HB% 1.0 1.8 6.0 742 677 A 43 LYS H A 41 ALA HB% 1.0 2.3 7.0 743 678 A 45 CYS H A 44 ILE HB 1.0 2.0 5.0 744 679 A 46 ARG H A 44 ILE HB 1.0 2.4 6.0 745 680 A 47 ILE H A 46 ARG HBx 1.0 2.3 7.0 746 680 A 47 ILE H A 46 ARG HBy 1.0 2.3 7.0 747 681 A 49 ARG H A 48 PRO HBx 1.0 1.8 6.0 748 681 A 48 PRO HBy A 49 ARG H 1.0 1.8 6.0 749 682 A 50 LEU H A 49 ARG HBy 1.0 1.8 6.0 750 682 A 50 LEU H A 49 ARG HBx 1.0 1.8 6.0 751 683 A 51 ASP H A 50 LEU HBx 1.0 2.3 7.0 752 683 A 51 ASP H A 50 LEU HBy 1.0 2.3 7.0 753 684 A 52 MET H A 50 LEU HBx 1.0 2.3 7.0 754 684 A 52 MET H A 50 LEU HBy 1.0 2.3 7.0 755 685 A 54 ASP H A 53 PRO HBx 1.0 1.8 5.2 756 685 A 54 ASP H A 53 PRO HBy 1.0 1.8 5.2 757 686 A 57 CYS H A 56 ARG HBx 1.0 1.8 5.2 758 686 A 57 CYS H A 56 ARG HBy 1.0 1.8 5.2 759 687 A 60 GLN H A 58 THR HB 1.0 2.0 5.0 760 688 A 61 SER H A 58 THR HB 1.0 2.4 6.0 761 689 A 62 ALA H A 61 SER HBx 1.0 1.8 5.2 762 689 A 62 ALA H A 61 SER HBy 1.0 1.8 5.2 763 690 A 63 ASP H A 61 SER HBx 1.0 2.3 7.0 764 690 A 63 ASP H A 61 SER HBy 1.0 2.3 7.0 765 691 A 63 ASP H A 62 ALA HB% 1.0 1.8 6.0 766 692 A 66 ARG H A 65 PRO HBy 1.0 1.8 6.0 767 692 A 66 ARG H A 65 PRO HBx 1.0 1.8 6.0 768 693 A 67 TYR H A 65 PRO HBy 1.0 2.3 7.0 769 693 A 67 TYR H A 65 PRO HBx 1.0 2.3 7.0 770 694 A 67 TYR H A 66 ARG HBy 1.0 2.3 7.0 771 694 A 67 TYR H A 66 ARG HBx 1.0 2.3 7.0 772 695 A 68 HIS H A 66 ARG HBy 1.0 2.3 7.0 773 695 A 68 HIS H A 66 ARG HBx 1.0 2.3 7.0 774 696 A 4 CYS H A 2 LYS HGx 1.0 2.3 7.0 775 696 A 4 CYS H A 2 LYS HGy 1.0 2.3 7.0 776 697 A 13 CYS H A 12 PRO HGx 1.0 1.8 6.0 777 697 A 13 CYS H A 12 PRO HGy 1.0 1.8 6.0 778 698 A 17 ALA H A 18 THR HG2% 1.0 1.8 6.0 779 699 A 19 CYS H A 18 THR HG2% 1.0 1.8 6.0 780 700 A 20 LYS H A 18 THR HG2% 1.0 2.3 7.0 781 701 A 21 LEU H A 20 LYS HGx 1.0 1.8 6.0 782 701 A 21 LEU H A 20 LYS HGy 1.0 1.8 6.0 783 702 A 22 ARG H A 21 LEU HG 1.0 2.0 5.0 784 703 A 24 GLY H A 23 PRO HGx 1.0 2.3 7.0 785 703 A 24 GLY H A 23 PRO HGy 1.0 2.3 7.0 786 704 A 25 ALA H A 21 LEU HG 1.0 2.4 6.0 787 705 A 27 CYS H A 26 GLN HGx 1.0 2.0 5.0 788 706 A 27 CYS H A 26 GLN HGy 1.0 2.4 6.0 789 707 A 30 GLY H A 29 GLU HGx 1.0 1.8 5.2 790 707 A 30 GLY H A 29 GLU HGy 1.0 1.8 5.2 791 708 A 32 CYS H A 31 LEU HG 1.0 2.4 6.0 792 709 A 36 CYS H A 35 GLN HGx 1.0 2.3 7.0 793 709 A 36 CYS H A 35 GLN HGy 1.0 2.3 7.0 794 710 A 37 LYS H A 34 GLU HGx 1.0 1.8 6.0 795 710 A 37 LYS H A 34 GLU HGy 1.0 1.8 6.0 796 711 A 38 PHE H A 37 LYS HGy 1.0 2.4 6.0 797 712 A 38 PHE H A 37 LYS HGx 1.0 2.4 6.0 798 713 A 44 ILE H A 43 LYS HGx 1.0 2.0 5.0 799 714 A 44 ILE H A 43 LYS HGy 1.0 2.0 5.0 800 715 A 45 CYS H A 44 ILE HG2% 1.0 2.3 7.0 801 716 A 46 ARG H A 44 ILE HG2% 1.0 2.3 7.0 802 717 A 47 ILE H A 46 ARG HGy 1.0 2.4 6.0 803 718 A 47 ILE H A 46 ARG HGx 1.0 2.4 6.0 804 719 A 47 ILE HG2% A 49 ARG H 1.0 1.8 6.0 805 720 A 50 LEU H A 49 ARG HGy 1.0 2.4 6.0 806 721 A 50 LEU H A 49 ARG HGx 1.0 2.4 6.0 807 722 A 51 ASP H A 48 PRO HGx 1.0 2.3 7.0 808 722 A 51 ASP H A 48 PRO HGy 1.0 2.3 7.0 809 723 A 51 ASP H A 50 LEU HG 1.0 2.4 6.0 810 724 A 52 MET H A 50 LEU HG 1.0 2.4 6.0 811 725 A 54 ASP H A 53 PRO HGy 1.0 2.4 6.0 812 726 A 54 ASP H A 53 PRO HGx 1.0 2.0 5.0 813 727 A 57 CYS H A 56 ARG HGx 1.0 1.8 5.2 814 727 A 57 CYS H A 56 ARG HGy 1.0 1.8 5.2 815 728 A 59 GLY H A 58 THR HG2% 1.0 2.3 7.0 816 729 A 60 GLN H A 58 THR HG2% 1.0 2.3 7.0 817 730 A 61 SER H A 58 THR HG2% 1.0 2.3 7.0 818 731 A 61 SER H A 60 GLN HGx 1.0 2.3 7.0 819 731 A 61 SER H A 60 GLN HGy 1.0 2.3 7.0 820 732 A 66 ARG H A 65 PRO HGx 1.0 2.3 7.0 821 732 A 66 ARG H A 65 PRO HGy 1.0 2.3 7.0 822 733 A 67 TYR H A 65 PRO HGx 1.0 2.3 7.0 823 733 A 67 TYR H A 65 PRO HGy 1.0 2.3 7.0 824 734 A 67 TYR H A 66 ARG HGx 1.0 1.8 6.0 825 734 A 67 TYR H A 66 ARG HGy 1.0 1.8 6.0 826 735 A 68 HIS H A 66 ARG HGx 1.0 2.3 7.0 827 735 A 68 HIS H A 66 ARG HGy 1.0 2.3 7.0 828 736 A 13 CYS H A 12 PRO HDx 1.0 2.0 5.0 829 737 A 13 CYS H A 12 PRO HDy 1.0 2.0 5.0 830 738 A 22 ARG H A 21 LEU HDx% 1.0 2.3 7.0 831 739 A 22 ARG H A 21 LEU HDy% 1.0 1.8 6.0 832 740 A 25 ALA H A 21 LEU HDy% 1.0 2.3 7.0 833 741 A 25 ALA H A 21 LEU HDx% 1.0 2.3 7.0 834 742 A 32 CYS H A 31 LEU HDx% 1.0 2.3 8.0 835 742 A 32 CYS H A 31 LEU HDy% 1.0 2.3 8.0 836 743 A 33 CYS H A 31 LEU HDx% 1.0 2.3 8.0 837 743 A 33 CYS H A 31 LEU HDy% 1.0 2.3 8.0 838 744 A 38 PHE H A 37 LYS HDx 1.0 2.3 7.0 839 744 A 38 PHE H A 37 LYS HDy 1.0 2.3 7.0 840 745 A 41 ALA H A 40 ARG HDx 1.0 1.8 6.0 841 745 A 41 ALA H A 40 ARG HDy 1.0 1.8 6.0 842 746 A 44 ILE H A 43 LYS HDx 1.0 2.3 7.0 843 746 A 44 ILE H A 43 LYS HDy 1.0 2.3 7.0 844 747 A 45 CYS H A 44 ILE HD1% 1.0 1.8 6.0 845 748 A 46 ARG H A 44 ILE HD1% 1.0 2.0 5.0 846 749 A 47 ILE H A 48 PRO HDx 1.0 1.8 5.2 847 749 A 47 ILE H A 48 PRO HDy 1.0 1.8 5.2 848 750 A 49 ARG H A 48 PRO HDx 1.0 2.3 7.0 849 750 A 48 PRO HDy A 49 ARG H 1.0 2.3 7.0 850 751 A 50 LEU H A 49 ARG HDx 1.0 2.3 7.0 851 751 A 50 LEU H A 49 ARG HDy 1.0 2.3 7.0 852 752 A 51 ASP H A 50 LEU HDx% 1.0 1.8 6.0 853 752 A 51 ASP H A 50 LEU HDy% 1.0 1.8 6.0 854 753 A 52 MET H A 50 LEU HDx% 1.0 2.3 7.0 855 753 A 52 MET H A 50 LEU HDy% 1.0 2.3 7.0 856 754 A 52 MET H A 53 PRO HDy 1.0 2.4 6.0 857 755 A 52 MET H A 53 PRO HDx 1.0 2.4 6.0 858 756 A 57 CYS H A 56 ARG HDy 1.0 2.3 7.0 859 756 A 57 CYS H A 56 ARG HDx 1.0 2.3 7.0 860 757 A 64 CYS H A 65 PRO HDy 1.0 2.3 7.0 861 757 A 64 CYS H A 65 PRO HDx 1.0 2.3 7.0 862 758 A 66 ARG H A 65 PRO HDy 1.0 2.3 7.0 863 758 A 66 ARG H A 65 PRO HDx 1.0 2.3 7.0 864 759 A 67 TYR H A 66 ARG HDx 1.0 2.3 7.0 865 759 A 67 TYR H A 66 ARG HDy 1.0 2.3 7.0 866 760 A 3 GLU HA A 4 CYS HA 1.0 2.4 6.0 867 761 A 6 CYS HA A 7 SER HA 1.0 2.4 6.0 868 762 A 7 SER HA A 4 CYS HBx 1.0 2.4 6.0 869 763 A 7 SER HA A 4 CYS HBy 1.0 2.4 6.0 870 764 A 9 PRO HA A 8 SER HA 1.0 2.0 5.0 871 765 A 8 SER HA A 9 PRO HBx 1.0 1.8 6.0 872 765 A 9 PRO HBy A 8 SER HA 1.0 1.8 6.0 873 766 A 8 SER HA A 10 GLU HBx 1.0 2.3 7.0 874 766 A 8 SER HA A 10 GLU HBy 1.0 2.3 7.0 875 767 A 11 ASN HBx A 8 SER HBy 1.0 2.0 5.0 876 768 A 11 ASN HBy A 8 SER HBy 1.0 2.0 5.0 877 769 A 8 SER HBy A 10 GLU HBy 1.0 2.3 7.0 878 769 A 8 SER HBy A 10 GLU HBx 1.0 2.3 7.0 879 770 A 9 PRO HA A 8 SER HA 1.0 2.0 5.0 880 771 A 13 CYS HA A 14 CYS HBx 1.0 2.3 7.0 881 771 A 13 CYS HA A 14 CYS HBy 1.0 2.3 7.0 882 772 A 13 CYS HA A 14 CYS HA 1.0 2.4 6.0 883 773 A 14 CYS HA A 15 ASP HA 1.0 2.4 6.0 884 774 A 14 CYS HA A 15 ASP HBx 1.0 2.4 6.0 885 775 A 14 CYS HA A 15 ASP HBy 1.0 2.4 6.0 886 776 A 15 ASP HA A 14 CYS HBx 1.0 2.3 7.0 887 776 A 15 ASP HA A 14 CYS HBy 1.0 2.3 7.0 888 777 A 15 ASP HBx A 18 THR HG2% 1.0 1.8 6.0 889 778 A 15 ASP HBy A 18 THR HG2% 1.0 1.8 6.0 890 779 A 16 ALA HA A 14 CYS HBx 1.0 2.3 7.0 891 779 A 16 ALA HA A 14 CYS HBy 1.0 2.3 7.0 892 780 A 20 LYS HA A 21 LEU HDx% 1.0 2.3 7.0 893 781 A 20 LYS HA A 21 LEU HDy% 1.0 2.3 7.0 894 782 A 23 PRO HA A 21 LEU HBy 1.0 2.3 7.0 895 782 A 23 PRO HA A 21 LEU HBx 1.0 2.3 7.0 896 783 A 23 PRO HDx A 22 ARG HDx 1.0 2.4 6.0 897 784 A 23 PRO HDx A 22 ARG HDy 1.0 2.4 6.0 898 785 A 21 LEU HBx A 23 PRO HDx 1.0 2.4 6.0 899 786 A 23 PRO HDx A 21 LEU HBy 1.0 2.0 5.0 900 787 A 21 LEU HBx A 23 PRO HDy 1.0 2.4 6.0 901 788 A 23 PRO HDy A 21 LEU HBy 1.0 2.0 5.0 902 789 A 24 GLY HAx A 25 ALA HB% 1.0 2.3 7.0 903 790 A 25 ALA HA A 26 GLN HA 1.0 2.4 6.0 904 791 A 27 CYS HA A 28 GLY HAy 1.0 2.4 6.0 905 792 A 28 GLY HAy A 29 GLU HBx 1.0 2.4 6.0 906 793 A 28 GLY HAy A 29 GLU HBy 1.0 2.4 6.0 907 794 A 28 GLY HAy A 29 GLU HGx 1.0 2.3 7.0 908 794 A 28 GLY HAy A 29 GLU HGy 1.0 2.3 7.0 909 795 A 30 GLY HAx A 31 LEU HBy 1.0 2.4 6.0 910 796 A 30 GLY HAy A 31 LEU HDx% 1.0 2.3 8.4 911 796 A 30 GLY HAy A 31 LEU HDy% 1.0 2.3 8.4 912 797 A 30 GLY HAx A 31 LEU HDx% 1.0 2.3 8.4 913 797 A 30 GLY HAx A 31 LEU HDy% 1.0 2.3 8.4 914 798 A 30 GLY HAy A 33 CYS HBy 1.0 2.4 6.0 915 799 A 31 LEU HA A 32 CYS HA 1.0 2.4 6.0 916 800 A 32 CYS HA A 31 LEU HDx% 1.0 2.3 8.4 917 800 A 32 CYS HA A 31 LEU HDy% 1.0 2.3 8.4 918 801 A 33 CYS HA A 34 GLU HBx 1.0 2.4 6.0 919 802 A 33 CYS HA A 34 GLU HBy 1.0 2.4 6.0 920 803 A 33 CYS HA A 34 GLU HGx 1.0 2.3 7.0 921 803 A 33 CYS HA A 34 GLU HGy 1.0 2.3 7.0 922 804 A 33 CYS HA A 34 GLU HA 1.0 2.4 6.0 923 805 A 37 LYS HA A 38 PHE HA 1.0 2.4 6.0 924 806 A 38 PHE HA A 39 SER HA 1.0 2.0 5.0 925 807 A 39 SER HBx A 43 LYS HEx 1.0 2.3 7.0 926 807 A 39 SER HBx A 43 LYS HEy 1.0 2.3 7.0 927 808 A 39 SER HBy A 43 LYS HDx 1.0 1.8 6.0 928 808 A 39 SER HBy A 43 LYS HDy 1.0 1.8 6.0 929 809 A 39 SER HBy A 43 LYS HGx 1.0 2.0 5.0 930 810 A 39 SER HBy A 43 LYS HGy 1.0 2.4 6.0 931 811 A 40 ARG HA A 41 ALA HA 1.0 2.0 5.0 932 812 A 40 ARG HA A 38 PHE HBy 1.0 2.4 6.0 933 813 A 40 ARG HA A 41 ALA HB% 1.0 1.8 6.0 934 814 A 42 GLY HAx A 41 ALA HB% 1.0 2.3 7.0 935 815 A 42 GLY HAy A 41 ALA HB% 1.0 2.3 7.0 936 816 A 44 ILE HA A 45 CYS HBy 1.0 2.4 6.0 937 817 A 44 ILE HA A 45 CYS HBx 1.0 2.4 6.0 938 818 A 45 CYS HA A 46 ARG HA 1.0 2.0 5.0 939 819 A 44 ILE HA A 45 CYS HA 1.0 2.0 5.0 940 820 A 45 CYS HA A 43 LYS HGx 1.0 2.4 6.0 941 821 A 45 CYS HA A 43 LYS HGy 1.0 2.4 6.0 942 822 A 45 CYS HA A 43 LYS HEx 1.0 2.3 7.0 943 822 A 45 CYS HA A 43 LYS HEy 1.0 2.3 7.0 944 823 A 45 CYS HA A 44 ILE HG2% 1.0 2.3 7.0 945 824 A 45 CYS HA A 44 ILE HG1x 1.0 2.3 7.0 946 824 A 45 CYS HA A 44 ILE HG1y 1.0 2.3 7.0 947 825 A 46 ARG HA A 47 ILE HG2% 1.0 1.8 6.0 948 826 A 46 ARG HA A 47 ILE HD1% 1.0 2.3 7.0 949 827 A 47 ILE HG2% A 48 PRO HA 1.0 1.8 6.0 950 828 A 48 PRO HDy A 47 ILE HA 1.0 2.0 5.0 951 829 A 48 PRO HDy A 47 ILE HB 1.0 2.4 6.0 952 830 A 48 PRO HDy A 47 ILE HG2% 1.0 1.8 6.0 953 831 A 48 PRO HDy A 47 ILE HG1y 1.0 2.4 6.0 954 832 A 48 PRO HDy A 47 ILE HD1% 1.0 2.3 7.0 955 833 A 47 ILE HA A 48 PRO HDx 1.0 2.0 5.0 956 834 A 47 ILE HB A 48 PRO HDx 1.0 2.4 6.0 957 835 A 47 ILE HG2% A 48 PRO HDx 1.0 1.8 6.0 958 836 A 47 ILE HG1y A 48 PRO HDx 1.0 2.4 6.0 959 837 A 47 ILE HD1% A 48 PRO HDx 1.0 2.3 7.0 960 838 A 49 ARG HA A 47 ILE HG2% 1.0 2.3 7.0 961 839 A 49 ARG HA A 47 ILE HD1% 1.0 2.3 7.0 962 840 A 47 ILE HG2% A 49 ARG HDx 1.0 2.3 8.0 963 840 A 47 ILE HG2% A 49 ARG HDy 1.0 2.3 8.0 964 841 A 47 ILE HD1% A 49 ARG HDx 1.0 2.3 8.0 965 841 A 47 ILE HD1% A 49 ARG HDy 1.0 2.3 8.0 966 842 A 50 LEU HA A 51 ASP HBy 1.0 2.4 6.0 967 843 A 50 LEU HA A 51 ASP HBx 1.0 2.4 6.0 968 844 A 48 PRO HDy A 50 LEU HDx% 1.0 2.3 7.0 969 845 A 48 PRO HDx A 50 LEU HDx% 1.0 2.3 7.0 970 846 A 50 LEU HDy% A 48 PRO HDx 1.0 2.3 7.0 971 847 A 51 ASP HA A 50 LEU HDx% 1.0 2.3 7.0 972 848 A 51 ASP HA A 50 LEU HDy% 1.0 2.3 7.0 973 849 A 53 PRO HA A 52 MET HA 1.0 2.4 6.0 974 850 A 53 PRO HBy A 52 MET HA 1.0 2.4 6.0 975 851 A 53 PRO HDy A 52 MET HA 1.0 2.0 5.0 976 852 A 53 PRO HDx A 52 MET HA 1.0 2.0 5.0 977 853 A 53 PRO HGy A 52 MET HA 1.0 2.0 5.0 978 854 A 53 PRO HGx A 52 MET HA 1.0 2.0 5.0 979 855 A 53 PRO HA A 54 ASP HBy 1.0 2.4 6.0 980 856 A 53 PRO HA A 54 ASP HBx 1.0 2.0 5.0 981 857 A 53 PRO HDy A 52 MET HGy 1.0 2.4 6.0 982 858 A 53 PRO HDy A 52 MET HGx 1.0 2.4 6.0 983 859 A 53 PRO HDy A 52 MET HBy 1.0 1.8 6.0 984 860 A 53 PRO HDy A 52 MET HBx 1.0 1.8 6.0 985 861 A 53 PRO HDy A 52 MET HE1 1.0 1.8 6.0 986 862 A 53 PRO HDx A 52 MET HGy 1.0 2.4 6.0 987 863 A 53 PRO HDx A 52 MET HGx 1.0 2.4 6.0 988 864 A 53 PRO HDx A 52 MET HBy 1.0 1.8 5.2 989 865 A 53 PRO HDx A 52 MET HBx 1.0 1.8 5.2 990 866 A 53 PRO HDx A 52 MET HE1 1.0 1.8 5.2 991 867 A 54 ASP HA A 53 PRO HGx 1.0 2.4 6.0 992 868 A 54 ASP HA A 53 PRO HDx 1.0 2.4 6.0 993 869 A 54 ASP HBy A 56 ARG HBx 1.0 2.3 7.0 994 869 A 54 ASP HBy A 56 ARG HBy 1.0 2.3 7.0 995 870 A 54 ASP HBy A 56 ARG HGx 1.0 2.3 7.0 996 870 A 54 ASP HBy A 56 ARG HGy 1.0 2.3 7.0 997 871 A 54 ASP HBx A 56 ARG HBx 1.0 2.3 7.0 998 871 A 54 ASP HBx A 56 ARG HBy 1.0 2.3 7.0 999 872 A 54 ASP HBx A 56 ARG HGx 1.0 2.3 7.0 1000 872 A 54 ASP HBx A 56 ARG HGy 1.0 2.3 7.0 1001 873 A 55 ASP HA A 56 ARG HBx 1.0 2.3 7.0 1002 873 A 55 ASP HA A 56 ARG HBy 1.0 2.3 7.0 1003 874 A 55 ASP HA A 56 ARG HGx 1.0 2.3 7.0 1004 874 A 55 ASP HA A 56 ARG HGy 1.0 2.3 7.0 1005 875 A 56 ARG HA A 57 CYS HBx 1.0 2.4 6.0 1006 876 A 56 ARG HA A 54 ASP HBy 1.0 2.4 6.0 1007 877 A 56 ARG HA A 54 ASP HBx 1.0 2.4 6.0 1008 878 A 58 THR HB A 60 GLN HBx 1.0 2.3 7.0 1009 878 A 58 THR HB A 60 GLN HBy 1.0 2.3 7.0 1010 879 A 58 THR HB A 60 GLN HGx 1.0 1.8 6.0 1011 879 A 60 GLN HGy A 58 THR HB 1.0 1.8 6.0 1012 880 A 60 GLN HGy A 59 GLY HAy 1.0 1.8 6.0 1013 880 A 59 GLY HAy A 60 GLN HGx 1.0 1.8 6.0 1014 881 A 63 ASP HA A 62 ALA HA 1.0 2.4 6.0 1015 882 A 63 ASP HA A 62 ALA HB% 1.0 2.3 7.0 1016 883 A 63 ASP HA A 64 CYS HBx 1.0 2.4 6.0 1017 884 A 63 ASP HA A 64 CYS HBy 1.0 2.4 6.0 1018 885 A 65 PRO HA A 64 CYS HA 1.0 2.4 6.0 1019 886 A 64 CYS HA A 65 PRO HDx 1.0 1.8 3.4 1020 887 A 64 CYS HA A 65 PRO HDy 1.0 1.8 3.4 1021 888 A 64 CYS HA A 63 ASP HBx 1.0 2.4 6.0 1022 889 A 64 CYS HA A 63 ASP HBy 1.0 2.4 6.0 1023 890 A 64 CYS HA A 65 PRO HBx 1.0 2.4 6.0 1024 891 A 64 CYS HA A 65 PRO HBy 1.0 2.0 5.0 1025 892 A 64 CYS HA A 65 PRO HGx 1.0 2.0 5.0 1026 893 A 64 CYS HA A 65 PRO HGy 1.0 2.0 5.0 1027 894 A 65 PRO HA A 63 ASP HBy 1.0 2.4 6.0 1028 895 A 64 CYS HBy A 65 PRO HDx 1.0 2.4 6.0 1029 896 A 65 PRO HA A 64 CYS HA 1.0 2.4 6.0 1030 897 A 64 CYS HBy A 65 PRO HDy 1.0 2.4 6.0 1031 898 A 67 TYR HD% A 68 HIS HA 1.0 2.3 8.4 1032 899 A 67 TYR HE% A 68 HIS HA 1.0 2.3 8.4 1033 900 A 8 SER H A 11 ASN HD2y 1.0 2.4 6.0 1034 901 A 11 ASN HD2y A 8 SER HBy 1.0 2.4 6.0 1035 902 A 11 ASN HD2x A 8 SER HBy 1.0 2.4 6.0 1036 903 A 8 SER H A 11 ASN HD2x 1.0 2.4 6.0 1037 904 A 13 CYS HBy A 11 ASN HD2y 1.0 2.4 6.0 1038 905 A 13 CYS H A 11 ASN HD2y 1.0 2.4 6.0 1039 906 A 13 CYS HBy A 11 ASN HD2x 1.0 2.4 6.0 1040 907 A 13 CYS H A 11 ASN HD2x 1.0 2.4 6.0 1041 908 A 34 GLU H A 38 PHE HD% 1.0 2.3 8.4 1042 909 A 37 LYS HA A 38 PHE HD% 1.0 2.3 8.4 1043 910 A 66 ARG HA A 67 TYR HD% 1.0 2.3 8.4 1044 911 A 67 TYR H A 67 TYR HD% 1.0 1.8 7.4 1045 912 A 68 HIS H A 67 TYR HD% 1.0 1.8 7.4 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 disulfide_bond _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 4 CYS SG A 19 CYS SG 1.0 1.92 2.12 2 2 A 6 CYS SG A 14 CYS SG 1.0 1.92 2.12 3 3 A 13 CYS SG A 36 CYS SG 1.0 1.92 2.12 4 4 A 27 CYS SG A 33 CYS SG 1.0 1.92 2.12 5 5 A 32 CYS SG A 57 CYS SG 1.0 1.92 2.12 6 6 A 45 CYS SG A 64 CYS SG 1.0 1.92 2.12 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 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 24 GLY H A 24 GLY HAx 1.0 2.0 5.0 2 2 A 28 GLY H A 28 GLY HAy 1.0 2.0 5.0 3 3 A 30 GLY H A 30 GLY HAy 1.0 1.8 3.4 4 4 A 42 GLY H A 42 GLY HAy 1.0 2.0 5.0 5 5 A 24 GLY H A 24 GLY HAy 1.0 2.0 5.0 6 6 A 28 GLY H A 28 GLY HAx 1.0 2.0 5.0 7 7 A 30 GLY H A 30 GLY HAx 1.0 2.0 5.0 8 8 A 42 GLY H A 42 GLY HAx 1.0 1.8 3.4 9 9 A 50 LEU H A 50 LEU HA 1.0 1.8 3.4 10 10 A 59 GLY H A 59 GLY HAy 1.0 1.8 3.4 11 10 A 59 GLY H A 59 GLY HAx 1.0 1.8 3.4 12 11 A 4 CYS H A 4 CYS HA 1.0 2.0 5.0 13 12 A 5 ASP H A 5 ASP HA 1.0 2.0 5.0 14 13 A 6 CYS H A 6 CYS HA 1.0 2.0 5.0 15 14 A 7 SER H A 7 SER HA 1.0 2.0 5.0 16 15 A 8 SER H A 8 SER HA 1.0 2.0 5.0 17 16 A 10 GLU H A 10 GLU HA 1.0 2.0 5.0 18 17 A 11 ASN H A 11 ASN HA 1.0 1.8 3.4 19 18 A 13 CYS H A 13 CYS HA 1.0 2.0 5.0 20 19 A 14 CYS H A 14 CYS HA 1.0 2.0 5.0 21 20 A 15 ASP H A 15 ASP HA 1.0 2.0 5.0 22 21 A 16 ALA H A 16 ALA HA 1.0 1.8 3.4 23 22 A 18 THR H A 18 THR HA 1.0 2.0 5.0 24 23 A 19 CYS H A 19 CYS HA 1.0 1.8 3.4 25 24 A 20 LYS H A 20 LYS HA 1.0 2.0 5.0 26 25 A 21 LEU H A 21 LEU HA 1.0 2.0 5.0 27 26 A 25 ALA H A 25 ALA HA 1.0 1.8 3.4 28 27 A 27 CYS H A 27 CYS HA 1.0 1.8 3.4 29 28 A 29 GLU H A 29 GLU HA 1.0 2.0 5.0 30 29 A 31 LEU H A 31 LEU HA 1.0 2.0 5.0 31 30 A 32 CYS H A 32 CYS HA 1.0 2.0 5.0 32 31 A 33 CYS H A 31 LEU HA 1.0 2.4 6.0 33 32 A 33 CYS H A 33 CYS HA 1.0 2.0 5.0 34 33 A 34 GLU H A 34 GLU HA 1.0 2.0 5.0 35 34 A 35 GLN H A 35 GLN HA 1.0 1.8 3.4 36 35 A 36 CYS H A 36 CYS HA 1.0 1.8 3.4 37 36 A 37 LYS H A 37 LYS HA 1.0 2.0 5.0 38 37 A 38 PHE H A 38 PHE HA 1.0 2.0 5.0 39 38 A 39 SER H A 39 SER HA 1.0 2.0 5.0 40 39 A 40 ARG H A 40 ARG HA 1.0 1.8 3.4 41 40 A 41 ALA H A 41 ALA HA 1.0 2.0 5.0 42 41 A 43 LYS H A 43 LYS HA 1.0 1.8 3.4 43 42 A 45 CYS H A 45 CYS HA 1.0 2.0 5.0 44 43 A 46 ARG H A 46 ARG HA 1.0 2.0 5.0 45 44 A 47 ILE H A 47 ILE HA 1.0 2.0 5.0 46 45 A 49 ARG HA A 49 ARG H 1.0 1.8 3.4 47 46 A 51 ASP H A 51 ASP HA 1.0 1.8 3.4 48 47 A 52 MET H A 52 MET HA 1.0 2.0 5.0 49 48 A 54 ASP H A 54 ASP HA 1.0 2.0 5.0 50 49 A 55 ASP H A 55 ASP HA 1.0 2.0 5.0 51 50 A 56 ARG H A 56 ARG HA 1.0 2.0 5.0 52 51 A 57 CYS H A 57 CYS HA 1.0 2.0 5.0 53 52 A 58 THR H A 58 THR HA 1.0 2.0 5.0 54 53 A 60 GLN H A 60 GLN HA 1.0 2.0 5.0 55 54 A 61 SER H A 61 SER HA 1.0 2.0 5.0 56 55 A 62 ALA H A 62 ALA HA 1.0 2.0 5.0 57 56 A 63 ASP H A 63 ASP HA 1.0 2.0 5.0 58 57 A 64 CYS H A 64 CYS HA 1.0 2.0 5.0 59 58 A 66 ARG H A 66 ARG HA 1.0 1.8 3.4 60 59 A 67 TYR H A 67 TYR HA 1.0 1.8 3.4 61 60 A 68 HIS H A 68 HIS HA 1.0 2.0 5.0 62 61 A 3 GLU HA A 3 GLU HBx 1.0 1.8 3.4 63 62 A 3 GLU HA A 3 GLU HBy 1.0 1.8 3.4 64 63 A 4 CYS HA A 4 CYS HBx 1.0 1.8 3.4 65 64 A 4 CYS HA A 4 CYS HBy 1.0 2.0 5.0 66 65 A 5 ASP HA A 5 ASP HBx 1.0 2.0 5.0 67 65 A 5 ASP HBy A 5 ASP HA 1.0 2.0 5.0 68 66 A 6 CYS HA A 6 CYS HBx 1.0 1.8 3.4 69 67 A 6 CYS HA A 6 CYS HBy 1.0 2.0 5.0 70 68 A 7 SER HA A 7 SER HBx 1.0 1.8 3.4 71 69 A 7 SER HA A 7 SER HBy 1.0 1.8 3.4 72 70 A 8 SER HA A 8 SER HBx 1.0 1.8 3.4 73 71 A 8 SER HA A 8 SER HBy 1.0 1.8 3.4 74 72 A 9 PRO HA A 9 PRO HBy 1.0 1.8 3.4 75 73 A 10 GLU HA A 10 GLU HBx 1.0 1.8 3.4 76 73 A 10 GLU HA A 10 GLU HBy 1.0 1.8 3.4 77 74 A 12 PRO HA A 12 PRO HBx 1.0 1.8 3.4 78 75 A 13 CYS HA A 13 CYS HBx 1.0 1.8 3.4 79 76 A 13 CYS HA A 13 CYS HBy 1.0 2.0 5.0 80 77 A 15 ASP HA A 15 ASP HBx 1.0 1.8 3.4 81 78 A 15 ASP HA A 15 ASP HBy 1.0 1.8 3.4 82 79 A 16 ALA HA A 16 ALA HB% 1.0 1.8 3.4 83 80 A 17 ALA HB% A 17 ALA HA 1.0 1.8 3.4 84 81 A 18 THR HB A 18 THR HA 1.0 1.8 3.4 85 82 A 19 CYS HA A 19 CYS HBx 1.0 1.8 3.4 86 83 A 19 CYS HA A 19 CYS HBy 1.0 1.8 3.4 87 84 A 20 LYS HA A 20 LYS HBx 1.0 1.8 3.4 88 85 A 20 LYS HA A 20 LYS HBy 1.0 2.0 5.0 89 86 A 21 LEU HA A 21 LEU HBy 1.0 1.8 6.0 90 86 A 21 LEU HA A 21 LEU HBx 1.0 1.8 6.0 91 87 A 23 PRO HA A 23 PRO HBx 1.0 1.8 3.4 92 88 A 23 PRO HA A 23 PRO HBy 1.0 1.8 3.4 93 89 A 25 ALA HA A 25 ALA HB% 1.0 1.8 3.4 94 90 A 26 GLN HA A 26 GLN HBx 1.0 2.0 5.0 95 91 A 26 GLN HA A 26 GLN HBy 1.0 1.8 3.4 96 92 A 27 CYS HA A 27 CYS HBx 1.0 1.8 3.4 97 93 A 27 CYS HA A 27 CYS HBy 1.0 1.8 3.4 98 94 A 29 GLU HA A 29 GLU HBx 1.0 2.0 5.0 99 95 A 29 GLU HA A 29 GLU HBy 1.0 2.0 5.0 100 96 A 31 LEU HA A 31 LEU HBx 1.0 1.8 3.4 101 97 A 31 LEU HA A 31 LEU HBy 1.0 1.8 3.4 102 98 A 31 LEU HA A 31 LEU HBx 1.0 1.8 3.4 103 99 A 31 LEU HA A 31 LEU HBy 1.0 1.8 3.4 104 100 A 33 CYS HA A 33 CYS HBx 1.0 2.0 5.0 105 101 A 33 CYS HA A 33 CYS HBy 1.0 2.0 5.0 106 102 A 34 GLU HA A 34 GLU HBx 1.0 1.8 3.4 107 103 A 34 GLU HA A 34 GLU HBy 1.0 1.8 3.4 108 104 A 36 CYS HBy A 36 CYS HBx 1.0 1.8 3.4 109 105 A 37 LYS HA A 37 LYS HBx 1.0 2.0 5.0 110 106 A 37 LYS HA A 37 LYS HBy 1.0 2.0 5.0 111 107 A 38 PHE HA A 38 PHE HBx 1.0 2.0 5.0 112 108 A 38 PHE HA A 38 PHE HBy 1.0 2.0 5.0 113 109 A 39 SER HA A 39 SER HBx 1.0 1.8 3.4 114 110 A 39 SER HA A 39 SER HBy 1.0 1.8 3.4 115 111 A 40 ARG HA A 40 ARG HBx 1.0 1.8 3.4 116 111 A 40 ARG HA A 40 ARG HBy 1.0 1.8 3.4 117 112 A 41 ALA HA A 41 ALA HB% 1.0 1.8 3.4 118 113 A 43 LYS HA A 43 LYS HBx 1.0 1.8 3.4 119 113 A 43 LYS HA A 43 LYS HBy 1.0 1.8 3.4 120 114 A 44 ILE HA A 44 ILE HB 1.0 1.8 3.4 121 115 A 45 CYS HA A 45 CYS HBy 1.0 1.8 3.4 122 116 A 45 CYS HA A 45 CYS HBx 1.0 1.8 3.4 123 117 A 46 ARG HA A 46 ARG HBx 1.0 1.8 3.4 124 117 A 46 ARG HA A 46 ARG HBy 1.0 1.8 3.4 125 118 A 47 ILE HA A 47 ILE HB 1.0 1.8 3.4 126 119 A 48 PRO HA A 48 PRO HBx 1.0 1.8 3.4 127 119 A 48 PRO HBy A 48 PRO HA 1.0 1.8 3.4 128 120 A 49 ARG HA A 49 ARG HBy 1.0 1.8 3.4 129 121 A 49 ARG HA A 49 ARG HBx 1.0 1.8 3.4 130 122 A 51 ASP HA A 51 ASP HBy 1.0 1.8 3.4 131 123 A 51 ASP HA A 51 ASP HBx 1.0 1.8 3.4 132 124 A 52 MET HA A 52 MET HBx 1.0 1.8 3.4 133 124 A 52 MET HA A 52 MET HBy 1.0 1.8 3.4 134 125 A 54 ASP HA A 54 ASP HBy 1.0 1.8 3.4 135 126 A 54 ASP HA A 54 ASP HBx 1.0 1.8 3.4 136 127 A 55 ASP HA A 55 ASP HBy 1.0 1.8 3.4 137 128 A 55 ASP HA A 55 ASP HBx 1.0 1.8 3.4 138 129 A 56 ARG HA A 56 ARG HBx 1.0 1.8 3.4 139 129 A 56 ARG HA A 56 ARG HBy 1.0 1.8 3.4 140 130 A 57 CYS HA A 57 CYS HBy 1.0 2.0 5.0 141 131 A 57 CYS HA A 57 CYS HBx 1.0 2.0 5.0 142 132 A 61 SER HA A 61 SER HBy 1.0 1.8 3.4 143 133 A 62 ALA HB% A 62 ALA HA 1.0 1.8 3.4 144 134 A 63 ASP HA A 63 ASP HBx 1.0 1.8 3.4 145 135 A 63 ASP HA A 63 ASP HBy 1.0 1.8 3.4 146 136 A 64 CYS HA A 64 CYS HBx 1.0 2.0 5.0 147 137 A 64 CYS HA A 64 CYS HBy 1.0 2.0 5.0 148 138 A 65 PRO HA A 65 PRO HBx 1.0 1.8 3.4 149 139 A 65 PRO HA A 65 PRO HBy 1.0 2.0 5.0 150 140 A 67 TYR HA A 67 TYR HBx 1.0 1.8 3.4 151 141 A 67 TYR HA A 67 TYR HBy 1.0 1.8 3.4 152 142 A 68 HIS HA A 68 HIS HBx 1.0 2.0 5.0 153 143 A 68 HIS HA A 68 HIS HBy 1.0 2.0 5.0 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 13 CYS H A 22 ARG O 1.0 1.5 2.5 2 2 A 22 ARG H A 13 CYS O 1.0 1.5 2.5 3 3 A 15 ASP H A 20 LYS O 1.0 1.5 2.5 4 4 A 20 LYS H A 15 ASP O 1.0 1.5 2.5 5 5 A 34 GLU H A 37 LYS O 1.0 1.5 2.5 6 6 A 37 LYS H A 34 GLU O 1.0 1.5 2.5 7 7 A 39 SER H A 32 CYS O 1.0 1.5 2.5 8 8 A 45 CYS H A 55 ASP O 1.0 1.5 2.5 9 9 A 57 CYS H A 43 LYS O 1.0 1.5 2.5 10 10 A 43 LYS H A 57 CYS O 1.0 1.5 2.5 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 1 GLY C A 2 LYS N A 2 LYS CA A 2 LYS C 1.0 -148.67 -48.67 PHI 2 2 A 2 LYS C A 3 GLU N A 3 GLU CA A 3 GLU C 1.0 -175.80 -75.80 PHI 3 3 A 3 GLU C A 4 CYS N A 4 CYS CA A 4 CYS C 1.0 -179.28 -79.28 PHI 4 4 A 4 CYS C A 5 ASP N A 5 ASP CA A 5 ASP C 1.0 -164.68 -64.68 PHI 5 5 A 5 ASP C A 6 CYS N A 6 CYS CA A 6 CYS C 1.0 -160.48 -80.48 PHI 6 6 A 9 PRO C A 10 GLU N A 10 GLU CA A 10 GLU C 1.0 -150.01 -50.01 PHI 7 7 A 10 GLU C A 11 ASN N A 11 ASN CA A 11 ASN C 1.0 -140.66 -40.66 PHI 8 8 A 12 PRO C A 13 CYS N A 13 CYS CA A 13 CYS C 1.0 -130.82 -50.82 PHI 9 9 A 13 CYS C A 14 CYS N A 14 CYS CA A 14 CYS C 1.0 -147.49 -67.49 PHI 10 10 A 14 CYS C A 15 ASP N A 15 ASP CA A 15 ASP C 1.0 -130.65 -50.65 PHI 11 11 A 15 ASP C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -130.82 -50.82 PHI 12 12 A 16 ALA C A 17 ALA N A 17 ALA CA A 17 ALA C 1.0 -130.47 -50.47 PHI 13 13 A 17 ALA C A 18 THR N A 18 THR CA A 18 THR C 1.0 -130.40 -50.40 PHI 14 14 A 18 THR C A 19 CYS N A 19 CYS CA A 19 CYS C 1.0 40.36 80.36 PHI 15 15 A 19 CYS C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -172.68 -72.68 PHI 16 16 A 20 LYS C A 21 LEU N A 21 LEU CA A 21 LEU C 1.0 -140.96 -40.96 PHI 17 17 A 23 PRO C A 24 GLY N A 24 GLY CA A 24 GLY C 1.0 -132.77 -52.77 PHI 18 18 A 24 GLY C A 25 ALA N A 25 ALA CA A 25 ALA C 1.0 -167.51 -67.51 PHI 19 19 A 25 ALA C A 26 GLN N A 26 GLN CA A 26 GLN C 1.0 -145.60 -95.60 PHI 20 20 A 26 GLN C A 27 CYS N A 27 CYS CA A 27 CYS C 1.0 -145.68 -95.68 PHI 21 21 A 27 CYS C A 28 GLY N A 28 GLY CA A 28 GLY C 1.0 -170.65 -70.65 PHI 22 22 A 28 GLY C A 29 GLU N A 29 GLU CA A 29 GLU C 1.0 -141.57 -91.57 PHI 23 23 A 29 GLU C A 30 GLY N A 30 GLY CA A 30 GLY C 1.0 80.79 160.79 PHI 24 24 A 30 GLY C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -130.87 -50.87 PHI 25 25 A 31 LEU C A 32 CYS N A 32 CYS CA A 32 CYS C 1.0 -160.55 -80.55 PHI 26 26 A 32 CYS C A 33 CYS N A 33 CYS CA A 33 CYS C 1.0 -149.92 -69.92 PHI 27 27 A 33 CYS C A 34 GLU N A 34 GLU CA A 34 GLU C 1.0 -150.67 -90.67 PHI 28 28 A 34 GLU C A 35 GLN N A 35 GLN CA A 35 GLN C 1.0 60.97 120.97 PHI 29 29 A 35 GLN C A 36 CYS N A 36 CYS CA A 36 CYS C 1.0 60.71 120.71 PHI 30 30 A 36 CYS C A 37 LYS N A 37 LYS CA A 37 LYS C 1.0 -160.70 -80.70 PHI 31 31 A 37 LYS C A 38 PHE N A 38 PHE CA A 38 PHE C 1.0 -148.54 -68.54 PHI 32 32 A 38 PHE C A 39 SER N A 39 SER CA A 39 SER C 1.0 -140.63 -40.63 PHI 33 33 A 39 SER C A 40 ARG N A 40 ARG CA A 40 ARG C 1.0 -140.50 -40.50 PHI 34 34 A 40 ARG C A 41 ALA N A 41 ALA CA A 41 ALA C 1.0 -115.84 -65.84 PHI 35 35 A 41 ALA C A 42 GLY N A 42 GLY CA A 42 GLY C 1.0 70.70 170.70 PHI 36 36 A 42 GLY C A 43 LYS N A 43 LYS CA A 43 LYS C 1.0 -131.52 -51.52 PHI 37 37 A 43 LYS C A 44 ILE N A 44 ILE CA A 44 ILE C 1.0 -140.73 -60.73 PHI 38 38 A 44 ILE C A 45 CYS N A 45 CYS CA A 45 CYS C 1.0 -145.69 -105.69 PHI 39 39 A 45 CYS C A 46 ARG N A 46 ARG CA A 46 ARG C 1.0 -160.43 -120.43 PHI 40 40 A 46 ARG C A 47 ILE N A 47 ILE CA A 47 ILE C 1.0 -141.32 -61.32 PHI 41 41 A 48 PRO C A 49 ARG N A 49 ARG CA A 49 ARG C 1.0 -174.20 -74.20 PHI 42 42 A 49 ARG C A 50 LEU N A 50 LEU CA A 50 LEU C 1.0 -128.57 -28.57 PHI 43 43 A 51 ASP C A 52 MET N A 52 MET CA A 52 MET C 1.0 -173.27 -73.27 PHI 44 44 A 53 PRO C A 54 ASP N A 54 ASP CA A 54 ASP C 1.0 -138.55 -38.55 PHI 45 45 A 54 ASP C A 55 ASP N A 55 ASP CA A 55 ASP C 1.0 -145.32 -65.32 PHI 46 46 A 56 ARG C A 57 CYS N A 57 CYS CA A 57 CYS C 1.0 -124.81 -44.81 PHI 47 47 A 57 CYS C A 58 THR N A 58 THR CA A 58 THR C 1.0 -130.56 -50.56 PHI 48 48 A 58 THR C A 59 GLY N A 59 GLY CA A 59 GLY C 1.0 50.81 130.81 PHI 49 49 A 59 GLY C A 60 GLN N A 60 GLN CA A 60 GLN C 1.0 -170.45 -70.45 PHI 50 50 A 60 GLN C A 61 SER N A 61 SER CA A 61 SER C 1.0 -170.88 -70.88 PHI 51 51 A 61 SER C A 62 ALA N A 62 ALA CA A 62 ALA C 1.0 -137.27 -37.27 PHI 52 52 A 62 ALA C A 63 ASP N A 63 ASP CA A 63 ASP C 1.0 -160.04 -80.04 PHI 53 53 A 63 ASP C A 64 CYS N A 64 CYS CA A 64 CYS C 1.0 -130.27 -50.27 PHI 54 54 A 65 PRO C A 66 ARG N A 66 ARG CA A 66 ARG C 1.0 -160.76 -80.76 PHI 55 55 A 66 ARG C A 67 TYR N A 67 TYR CA A 67 TYR C 1.0 -170.35 -70.35 PHI stop_ save_