data_nef_c30561_6nom 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6NOM 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 3 CYS SG 1 47 CYS SG 1 14 CYS SG 1 35 CYS SG 1 20 CYS SG 1 41 CYS SG 1 24 CYS SG 1 43 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 LYS start . . 2 A 2 THR middle . . 3 A 3 CYS middle -HG . 4 A 4 GLU middle . . 5 A 5 ASN middle . . 6 A 6 LEU middle . . 7 A 7 SER middle . . 8 A 8 GLY middle . false 9 A 9 THR middle . . 10 A 10 PHE middle . . 11 A 11 LYS middle . . 12 A 12 GLY middle . false 13 A 13 PRO middle . false 14 A 14 CYS middle -HG . 15 A 15 ILE middle . . 16 A 16 PRO middle . false 17 A 17 ASP middle . . 18 A 18 GLY middle . false 19 A 19 ASN middle . . 20 A 20 CYS middle -HG . 21 A 21 ASN middle . . 22 A 22 LYS middle . . 23 A 23 HIS middle . . 24 A 24 CYS middle -HG . 25 A 25 ARG middle . . 26 A 26 ASN middle . . 27 A 27 ASN middle . . 28 A 28 GLU middle . . 29 A 29 HIS middle . . 30 A 30 LEU middle . . 31 A 31 LEU middle . . 32 A 32 SER middle . . 33 A 33 GLY middle . false 34 A 34 ARG middle . . 35 A 35 CYS middle -HG . 36 A 36 ARG middle . . 37 A 37 ASP middle . . 38 A 38 ASP middle . . 39 A 39 PHE middle . . 40 A 40 ARG middle . . 41 A 41 CYS middle -HG . 42 A 42 TRP middle . . 43 A 43 CYS middle -HG . 44 A 44 THR middle . . 45 A 45 ASN middle . . 46 A 46 ARG middle . . 47 A 47 CYS end -HG . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 LYS HA H 1 4.172 0.02 A 1 LYS HBx H 1 1.979 0.02 A 1 LYS HBy H 1 1.981 0.02 A 1 LYS HDy H 1 1.726 0.02 A 1 LYS HDx H 1 1.724 0.02 A 1 LYS HEx H 1 3.020 0.02 A 1 LYS HEy H 1 3.020 0.02 A 1 LYS HGx H 1 1.499 0.02 A 1 LYS HGy H 1 1.499 0.02 A 1 LYS C C 13 172.522 . A 1 LYS CA C 13 56.031 . A 1 LYS CB C 13 33.282 . A 1 LYS CG C 13 24.223 . A 2 THR H H 1 8.443 0.02 A 2 THR HA H 1 5.345 0.02 A 2 THR HB H 1 4.082 0.02 A 2 THR HG2% H 1 1.038 0.02 A 2 THR C C 13 174.336 . A 2 THR CA C 13 60.478 . A 2 THR CB C 13 71.313 . A 2 THR CG2 C 13 21.313 . A 2 THR N N 15 113.440 . A 3 CYS H H 1 9.069 0.02 A 3 CYS HA H 1 5.093 0.02 A 3 CYS HBy H 1 2.915 0.02 A 3 CYS HBx H 1 2.744 0.02 A 3 CYS C C 13 172.084 . A 3 CYS CA C 13 58.020 . A 3 CYS CB C 13 39.684 . A 3 CYS N N 15 118.528 . A 4 GLU H H 1 8.731 0.02 A 4 GLU HA H 1 5.535 0.02 A 4 GLU HBy H 1 2.067 0.02 A 4 GLU HBx H 1 1.804 0.02 A 4 GLU HGx H 1 2.204 0.02 A 4 GLU HGy H 1 2.279 0.02 A 4 GLU C C 13 175.287 . A 4 GLU CA C 13 54.766 . A 4 GLU CB C 13 32.600 . A 4 GLU CG C 13 37.694 . A 4 GLU N N 15 122.946 . A 5 ASN H H 1 8.980 0.02 A 5 ASN HA H 1 5.261 0.02 A 5 ASN HBy H 1 2.747 0.02 A 5 ASN HBx H 1 2.470 0.02 A 5 ASN HD2y H 1 7.720 0.02 A 5 ASN HD2x H 1 6.930 0.02 A 5 ASN C C 13 173.118 . A 5 ASN CA C 13 52.783 . A 5 ASN CB C 13 43.592 . A 5 ASN N N 15 121.726 . A 5 ASN ND2 N 15 111.770 . A 6 LEU H H 1 8.144 0.02 A 6 LEU HA H 1 3.071 0.02 A 6 LEU HBy H 1 0.939 0.02 A 6 LEU HBx H 1 0.750 0.02 A 6 LEU HDx% H 1 0.261 0.02 A 6 LEU HDy% H 1 0.075 0.02 A 6 LEU HG H 1 0.462 0.02 A 6 LEU C C 13 177.874 . A 6 LEU CA C 13 55.751 . A 6 LEU CB C 13 42.187 . A 6 LEU CDy C 13 26.205 . A 6 LEU CDx C 13 24.215 . A 6 LEU CG C 13 24.649 . A 6 LEU N N 15 125.223 . A 7 SER H H 1 8.626 0.02 A 7 SER HA H 1 4.476 0.02 A 7 SER HBy H 1 4.104 0.02 A 7 SER HBx H 1 3.518 0.02 A 7 SER C C 13 177.070 . A 7 SER CA C 13 57.993 . A 7 SER CB C 13 63.284 . A 7 SER N N 15 117.413 . A 8 GLY H H 1 9.768 0.02 A 8 GLY HAy H 1 4.095 0.02 A 8 GLY HAx H 1 3.890 0.02 A 8 GLY C C 13 175.406 . A 8 GLY CA C 13 45.979 . A 8 GLY N N 15 118.429 . A 9 THR H H 1 7.767 0.02 A 9 THR HA H 1 4.522 0.02 A 9 THR HB H 1 4.482 0.02 A 9 THR HG2% H 1 1.151 0.02 A 9 THR C C 13 174.639 . A 9 THR CA C 13 61.137 . A 9 THR CB C 13 70.651 . A 9 THR CG2 C 13 22.021 . A 9 THR N N 15 106.199 . A 10 PHE H H 1 7.831 0.02 A 10 PHE HA H 1 3.439 0.02 A 10 PHE HBy H 1 2.792 0.02 A 10 PHE HBx H 1 2.406 0.02 A 10 PHE HDx H 1 6.804 0.02 A 10 PHE HDy H 1 6.804 0.02 A 10 PHE C C 13 174.825 . A 10 PHE CA C 13 59.277 . A 10 PHE CB C 13 38.338 . A 10 PHE CDx C 13 132.543 . A 10 PHE CDy C 13 132.543 . A 10 PHE N N 15 125.755 . A 11 LYS H H 1 7.753 0.02 A 11 LYS HA H 1 4.406 0.02 A 11 LYS HBy H 1 1.592 0.02 A 11 LYS HBx H 1 1.492 0.02 A 11 LYS HDx H 1 1.558 0.02 A 11 LYS HDy H 1 2.189 0.02 A 11 LYS HEx H 1 2.928 0.02 A 11 LYS HGx H 1 1.241 0.02 A 11 LYS HGy H 1 1.331 0.02 A 11 LYS C C 13 175.586 . A 11 LYS CA C 13 55.244 . A 11 LYS CB C 13 34.009 . A 11 LYS CD C 13 28.785 . A 11 LYS CE C 13 42.000 . A 11 LYS CG C 13 24.351 . A 11 LYS N N 15 128.748 . A 12 GLY H H 1 8.215 0.02 A 12 GLY HAx H 1 3.864 0.02 A 12 GLY HAy H 1 4.104 0.02 A 12 GLY CA C 13 44.267 . A 12 GLY N N 15 110.353 . A 13 PRO HA H 1 4.698 0.02 A 13 PRO HBy H 1 2.312 0.02 A 13 PRO HBx H 1 1.906 0.02 A 13 PRO HDy H 1 3.618 0.02 A 13 PRO HDx H 1 3.575 0.02 A 13 PRO HGy H 1 2.076 0.02 A 13 PRO HGx H 1 2.022 0.02 A 13 PRO CA C 13 62.805 . A 13 PRO CB C 13 32.230 . A 13 PRO CD C 13 49.276 . A 13 PRO CG C 13 27.245 . A 14 CYS HA H 1 4.737 0.02 A 14 CYS HBy H 1 3.356 0.02 A 14 CYS HBx H 1 2.989 0.02 A 14 CYS CA C 13 56.743 . A 14 CYS CB C 13 38.327 . A 15 ILE HA H 1 4.827 0.02 A 15 ILE HB H 1 2.082 0.02 A 15 ILE HD1% H 1 0.894 0.02 A 15 ILE HG1x H 1 1.199 0.02 A 15 ILE HG1y H 1 1.288 0.02 A 15 ILE HG2% H 1 0.978 0.02 A 15 ILE CA C 13 63.269 . A 15 ILE CB C 13 39.473 . A 15 ILE CD1 C 13 13.613 . A 15 ILE CG1 C 13 26.414 . A 15 ILE CG2 C 13 17.973 . A 16 PRO HA H 1 4.938 0.02 A 16 PRO HBy H 1 2.373 0.02 A 16 PRO HBx H 1 2.035 0.02 A 16 PRO HDx H 1 3.687 0.02 A 16 PRO HDy H 1 3.742 0.02 A 16 PRO HGy H 1 2.016 0.02 A 16 PRO HGx H 1 1.964 0.02 A 16 PRO CA C 13 63.250 . A 16 PRO CB C 13 28.258 . A 16 PRO CD C 13 50.989 . A 16 PRO CG C 13 27.753 . A 17 ASP HA H 1 4.730 0.02 A 17 ASP HBy H 1 3.106 0.02 A 17 ASP HBx H 1 2.533 0.02 A 17 ASP C C 13 178.007 . A 17 ASP CA C 13 52.755 . A 17 ASP CB C 13 41.511 . A 18 GLY H H 1 8.492 0.02 A 18 GLY HAy H 1 4.317 0.02 A 18 GLY HAx H 1 4.094 0.02 A 18 GLY CA C 13 45.815 . A 18 GLY N N 15 107.969 . A 19 ASN H H 1 6.834 0.02 A 19 ASN HA H 1 4.316 0.02 A 19 ASN HBy H 1 3.036 0.02 A 19 ASN HBx H 1 2.654 0.02 A 19 ASN HD2y H 1 7.704 0.02 A 19 ASN HD2x H 1 7.134 0.02 A 19 ASN C C 13 176.094 . A 19 ASN CA C 13 52.984 . A 19 ASN CB C 13 39.806 . A 19 ASN ND2 N 15 114.303 . A 20 CYS H H 1 8.379 0.02 A 20 CYS HA H 1 4.309 0.02 A 20 CYS HBy H 1 2.762 0.02 A 20 CYS HBx H 1 2.630 0.02 A 20 CYS C C 13 175.514 . A 20 CYS CA C 13 58.597 . A 20 CYS CB C 13 34.997 . A 20 CYS N N 15 113.062 . A 21 ASN H H 1 8.508 0.02 A 21 ASN HA H 1 3.994 0.02 A 21 ASN HBy H 1 3.129 0.02 A 21 ASN HBx H 1 2.797 0.02 A 21 ASN HD2x H 1 6.791 0.02 A 21 ASN HD2y H 1 7.778 0.02 A 21 ASN C C 13 176.487 . A 21 ASN CA C 13 57.848 . A 21 ASN CB C 13 39.007 . A 21 ASN N N 15 119.227 . A 21 ASN ND2 N 15 113.653 . A 22 LYS H H 1 7.705 0.02 A 22 LYS HA H 1 3.921 0.02 A 22 LYS HBy H 1 1.990 0.02 A 22 LYS HBx H 1 1.988 0.02 A 22 LYS HDx H 1 1.731 0.02 A 22 LYS HDy H 1 1.731 0.02 A 22 LYS HEy H 1 3.002 0.02 A 22 LYS HEx H 1 3.000 0.02 A 22 LYS HGy H 1 1.626 0.02 A 22 LYS HGx H 1 1.487 0.02 A 22 LYS C C 13 177.983 . A 22 LYS CA C 13 60.092 . A 22 LYS CB C 13 32.632 . A 22 LYS CD C 13 29.417 . A 22 LYS CE C 13 42.019 . A 22 LYS CG C 13 25.438 . A 22 LYS N N 15 116.499 . A 23 HIS H H 1 8.718 0.02 A 23 HIS HA H 1 4.385 0.02 A 23 HIS HBy H 1 3.564 0.02 A 23 HIS HBx H 1 3.508 0.02 A 23 HIS C C 13 178.728 . A 23 HIS CA C 13 60.191 . A 23 HIS CB C 13 30.808 . A 23 HIS N N 15 119.694 . A 24 CYS H H 1 9.143 0.02 A 24 CYS HA H 1 4.104 0.02 A 24 CYS HBy H 1 2.600 0.02 A 24 CYS HBx H 1 2.544 0.02 A 24 CYS C C 13 175.747 . A 24 CYS CA C 13 59.084 . A 24 CYS CB C 13 37.749 . A 24 CYS N N 15 118.475 . A 25 ARG H H 1 7.868 0.02 A 25 ARG HA H 1 4.276 0.02 A 25 ARG HBx H 1 1.534 0.02 A 25 ARG HBy H 1 1.800 0.02 A 25 ARG HDy H 1 3.259 0.02 A 25 ARG HDx H 1 3.027 0.02 A 25 ARG HGy H 1 1.494 0.02 A 25 ARG HGx H 1 1.492 0.02 A 25 ARG C C 13 171.035 . A 25 ARG CA C 13 58.766 . A 25 ARG CB C 13 31.294 . A 25 ARG CD C 13 43.530 . A 25 ARG CG C 13 31.313 . A 25 ARG N N 15 116.157 . A 26 ASN H H 1 8.882 0.02 A 26 ASN HA H 1 4.466 0.02 A 26 ASN HBy H 1 2.861 0.02 A 26 ASN HBx H 1 2.719 0.02 A 26 ASN HD2y H 1 7.621 0.02 A 26 ASN HD2x H 1 7.014 0.02 A 26 ASN C C 13 175.569 . A 26 ASN CA C 13 55.247 . A 26 ASN CB C 13 38.082 . A 26 ASN N N 15 116.522 . A 26 ASN ND2 N 15 113.282 . A 27 ASN H H 1 7.954 0.02 A 27 ASN HA H 1 4.658 0.02 A 27 ASN HBy H 1 2.481 0.02 A 27 ASN HBx H 1 2.289 0.02 A 27 ASN HD2x H 1 6.992 0.02 A 27 ASN HD2y H 1 7.837 0.02 A 27 ASN C C 13 176.209 . A 27 ASN CA C 13 54.520 . A 27 ASN CB C 13 37.731 . A 27 ASN N N 15 115.147 . A 27 ASN ND2 N 15 112.809 . A 28 GLU H H 1 7.024 0.02 A 28 GLU HA H 1 4.275 0.02 A 28 GLU HBy H 1 2.296 0.02 A 28 GLU HBx H 1 2.239 0.02 A 28 GLU HGx H 1 2.018 0.02 A 28 GLU HGy H 1 2.019 0.02 A 28 GLU C C 13 175.486 . A 28 GLU CA C 13 56.521 . A 28 GLU CB C 13 30.069 . A 28 GLU CG C 13 37.926 . A 28 GLU N N 15 114.454 . A 29 HIS H H 1 6.513 0.02 A 29 HIS HA H 1 4.660 0.02 A 29 HIS HBy H 1 3.548 0.02 A 29 HIS HBx H 1 3.432 0.02 A 29 HIS C C 13 174.232 . A 29 HIS CA C 13 56.287 . A 29 HIS CB C 13 25.174 . A 29 HIS N N 15 111.335 . A 30 LEU H H 1 8.653 0.02 A 30 LEU HA H 1 4.942 0.02 A 30 LEU HBy H 1 1.915 0.02 A 30 LEU HBx H 1 1.438 0.02 A 30 LEU HDx% H 1 0.955 0.02 A 30 LEU HDy% H 1 0.939 0.02 A 30 LEU HG H 1 1.753 0.02 A 30 LEU C C 13 176.206 . A 30 LEU CA C 13 53.217 . A 30 LEU CB C 13 40.222 . A 30 LEU CDy C 13 26.268 . A 30 LEU CDx C 13 21.993 . A 30 LEU CG C 13 26.336 . A 30 LEU N N 15 119.961 . A 31 LEU H H 1 8.196 0.02 A 31 LEU HA H 1 4.180 0.02 A 31 LEU HBy H 1 1.617 0.02 A 31 LEU HBx H 1 1.427 0.02 A 31 LEU HDx% H 1 0.785 0.02 A 31 LEU HDy% H 1 0.867 0.02 A 31 LEU HG H 1 1.706 0.02 A 31 LEU C C 13 178.436 . A 31 LEU CA C 13 58.228 . A 31 LEU CB C 13 42.935 . A 31 LEU CDy C 13 25.549 . A 31 LEU CDx C 13 22.544 . A 31 LEU CG C 13 26.988 . A 31 LEU N N 15 116.238 . A 32 SER H H 1 7.558 0.02 A 32 SER HA H 1 4.562 0.02 A 32 SER HBy H 1 4.109 0.02 A 32 SER HBx H 1 3.983 0.02 A 32 SER C C 13 172.898 . A 32 SER CA C 13 57.770 . A 32 SER CB C 13 63.751 . A 32 SER N N 15 106.131 . A 33 GLY H H 1 9.052 0.02 A 33 GLY HAy H 1 5.332 0.02 A 33 GLY HAx H 1 4.063 0.02 A 33 GLY C C 13 177.998 . A 33 GLY CA C 13 46.923 . A 33 GLY N N 15 108.318 . A 34 ARG H H 1 8.882 0.02 A 34 ARG HA H 1 4.846 0.02 A 34 ARG HBy H 1 2.018 0.02 A 34 ARG HBx H 1 1.641 0.02 A 34 ARG HDy H 1 3.266 0.02 A 34 ARG HDx H 1 3.132 0.02 A 34 ARG HGx H 1 1.549 0.02 A 34 ARG HGy H 1 1.651 0.02 A 34 ARG C C 13 174.960 . A 34 ARG CA C 13 53.737 . A 34 ARG CB C 13 31.701 . A 34 ARG CD C 13 42.463 . A 34 ARG CG C 13 26.310 . A 34 ARG N N 15 116.549 . A 35 CYS H H 1 8.924 0.02 A 35 CYS HA H 1 4.173 0.02 A 35 CYS HBy H 1 3.540 0.02 A 35 CYS HBx H 1 3.397 0.02 A 35 CYS C C 13 172.992 . A 35 CYS CA C 13 59.825 . A 35 CYS CB C 13 35.803 . A 35 CYS N N 15 119.501 . A 36 ARG H H 1 8.805 0.02 A 36 ARG HA H 1 5.100 0.02 A 36 ARG HBx H 1 1.792 0.02 A 36 ARG HBy H 1 2.185 0.02 A 36 ARG HDx H 1 3.216 0.02 A 36 ARG HDy H 1 3.330 0.02 A 36 ARG HGy H 1 1.839 0.02 A 36 ARG HGx H 1 1.364 0.02 A 36 ARG C C 13 174.633 . A 36 ARG CA C 13 52.851 . A 36 ARG CB C 13 35.974 . A 36 ARG CD C 13 43.451 . A 36 ARG CG C 13 25.840 . A 36 ARG N N 15 121.357 . A 37 ASP H H 1 9.015 0.02 A 37 ASP HA H 1 4.640 0.02 A 37 ASP HBx H 1 1.833 0.02 A 37 ASP HBy H 1 1.833 0.02 A 37 ASP C C 13 176.836 . A 37 ASP CA C 13 55.359 . A 37 ASP CB C 13 38.761 . A 37 ASP N N 15 120.434 . A 38 ASP H H 1 8.295 0.02 A 38 ASP HA H 1 4.067 0.02 A 38 ASP HBy H 1 2.635 0.02 A 38 ASP HBx H 1 2.634 0.02 A 38 ASP C C 13 174.271 . A 38 ASP CA C 13 55.725 . A 38 ASP CB C 13 39.495 . A 38 ASP N N 15 120.333 . A 39 PHE H H 1 7.959 0.02 A 39 PHE HA H 1 5.083 0.02 A 39 PHE HBy H 1 2.896 0.02 A 39 PHE HBx H 1 2.693 0.02 A 39 PHE HDx H 1 6.940 0.02 A 39 PHE HDy H 1 6.940 0.02 A 39 PHE C C 13 175.089 . A 39 PHE CA C 13 54.080 . A 39 PHE CB C 13 39.109 . A 39 PHE CDx C 13 130.456 . A 39 PHE CDy C 13 130.456 . A 39 PHE N N 15 116.604 . A 40 ARG H H 1 8.432 0.02 A 40 ARG HA H 1 4.663 0.02 A 40 ARG CA C 13 56.079 . A 40 ARG CB C 13 43.392 . A 40 ARG N N 15 125.159 . A 41 CYS HA H 1 4.910 0.02 A 41 CYS HBy H 1 2.085 0.02 A 41 CYS HBx H 1 1.658 0.02 A 41 CYS CA C 13 54.185 . A 41 CYS CB C 13 36.000 . A 42 TRP H H 1 9.053 0.02 A 42 TRP HA H 1 4.778 0.02 A 42 TRP HBy H 1 2.924 0.02 A 42 TRP HBx H 1 2.874 0.02 A 42 TRP HD1 H 1 7.410 0.02 A 42 TRP HE1 H 1 9.393 0.02 A 42 TRP HE3 H 1 6.954 0.02 A 42 TRP HH2 H 1 7.230 0.02 A 42 TRP HZ2 H 1 7.489 0.02 A 42 TRP HZ3 H 1 7.109 0.02 A 42 TRP C C 13 176.698 . A 42 TRP CA C 13 56.281 . A 42 TRP CB C 13 29.870 . A 42 TRP CD1 C 13 126.820 . A 42 TRP CE3 C 13 118.883 . A 42 TRP CH2 C 13 124.345 . A 42 TRP CZ2 C 13 115.427 . A 42 TRP CZ3 C 13 120.403 . A 42 TRP N N 15 130.169 . A 42 TRP NE1 N 15 124.939 . A 43 CYS H H 1 9.202 0.02 A 43 CYS HA H 1 5.949 0.02 A 43 CYS HBy H 1 3.237 0.02 A 43 CYS HBx H 1 2.934 0.02 A 43 CYS C C 13 175.559 . A 43 CYS CA C 13 51.690 . A 43 CYS CB C 13 39.246 . A 43 CYS N N 15 120.338 . A 44 THR H H 1 9.027 0.02 A 44 THR HA H 1 5.260 0.02 A 44 THR HB H 1 4.054 0.02 A 44 THR HG2% H 1 1.121 0.02 A 44 THR C C 13 171.943 . A 44 THR CA C 13 62.950 . A 44 THR CB C 13 69.519 . A 44 THR CG2 C 13 21.349 . A 44 THR N N 15 121.141 . A 45 ASN H H 1 9.261 0.02 A 45 ASN HA H 1 5.099 0.02 A 45 ASN HBy H 1 2.933 0.02 A 45 ASN HBx H 1 2.730 0.02 A 45 ASN HD2y H 1 7.582 0.02 A 45 ASN HD2x H 1 7.062 0.02 A 45 ASN CA C 13 54.108 . A 45 ASN CB C 13 38.207 . A 45 ASN N N 15 123.063 . A 45 ASN ND2 N 15 110.816 . A 46 ARG HA H 1 4.668 0.02 A 46 ARG HBx H 1 1.697 0.02 A 46 ARG HBy H 1 1.904 0.02 A 46 ARG HDy H 1 2.987 0.02 A 46 ARG HDx H 1 2.851 0.02 A 46 ARG HGx H 1 1.259 0.02 A 46 ARG HGy H 1 1.620 0.02 A 46 ARG CA C 13 54.461 . A 46 ARG CB C 13 32.474 . A 46 ARG CD C 13 43.622 . A 46 ARG CG C 13 24.898 . A 47 CYS HA H 1 4.302 0.02 A 47 CYS HBx H 1 1.365 0.02 A 47 CYS HBy H 1 1.365 0.02 A 47 CYS CA C 13 52.379 . A 47 CYS CB C 13 19.189 . 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 8 GLY H A 7 SER HA 1.0 1.704 3.222 2 2 A 45 ASN H A 4 GLU HA 1.0 1.874 4.124 3 3 A 45 ASN H A 2 THR HA 1.0 1.600 6.000 4 4 A 45 ASN H A 45 ASN HA 1.0 1.777 3.549 5 5 A 45 ASN H A 47 CYS HBy 1.0 1.600 6.000 6 6 A 44 THR H A 32 SER H 1.0 1.807 3.709 7 7 A 45 ASN H A 3 CYS H 1.0 1.600 6.000 8 8 A 24 CYS H A 24 CYS HBx 1.0 1.773 3.533 9 9 A 24 CYS H A 43 CYS HBx 1.0 1.600 6.000 10 10 A 24 CYS H A 24 CYS HA 1.0 1.852 3.974 11 11 A 24 CYS H A 25 ARG H 1.0 1.874 4.118 12 12 A 37 ASP H A 16 PRO HA 1.0 1.757 3.453 13 13 A 2 THR HA A 3 CYS H 1.0 1.505 2.517 14 14 A 44 THR H A 44 THR HA 1.0 1.822 3.792 15 15 A 33 GLY H A 32 SER HA 1.0 1.600 6.000 16 16 A 44 THR H A 44 THR HB 1.0 1.677 3.107 17 17 A 33 GLY H A 32 SER HBy 1.0 1.650 3.006 18 18 A 3 CYS H A 2 THR HB 1.0 1.615 2.877 19 19 A 44 THR H A 31 LEU HDx% 1.0 1.600 6.000 20 20 A 3 CYS H A 2 THR HG2% 1.0 1.819 3.775 21 21 A 3 CYS H A 44 THR HG2% 1.0 1.789 3.609 22 22 A 3 CYS H A 3 CYS HBy 1.0 1.747 3.405 23 23 A 42 TRP H A 42 TRP HBx 1.0 1.855 3.993 24 24 A 44 THR H A 43 CYS HBy 1.0 1.600 6.000 25 25 A 44 THR H A 43 CYS HA 1.0 1.624 2.908 26 26 A 4 GLU HA A 5 ASN H 1.0 1.580 2.756 27 27 A 5 ASN H A 5 ASN HA 1.0 1.739 3.369 28 28 A 37 ASP H A 36 ARG HA 1.0 1.525 2.575 29 29 A 5 ASN H A 42 TRP HE3 1.0 1.911 4.397 30 30 A 5 ASN H A 5 ASN HBy 1.0 1.817 3.759 31 31 A 5 ASN H A 4 GLU HGy 1.0 1.909 4.383 32 32 A 5 ASN H A 4 GLU HGx 1.0 1.919 4.467 33 33 A 37 ASP H A 39 PHE HBy 1.0 1.600 6.000 34 34 A 37 ASP H A 39 PHE HBx 1.0 1.600 6.000 35 35 A 37 ASP H A 36 ARG HBx 1.0 1.671 3.085 36 36 A 44 THR H A 31 LEU HG 1.0 1.600 6.000 37 37 A 44 THR H A 44 THR HG2% 1.0 1.839 3.895 38 38 A 5 ASN H A 5 ASN HBx 1.0 1.926 4.528 39 39 A 34 ARG H A 33 GLY HAx 1.0 1.759 3.463 40 40 A 34 ARG H A 34 ARG HA 1.0 1.746 3.400 41 41 A 26 ASN H A 26 ASN HA 1.0 1.803 3.685 42 42 A 26 ASN H A 22 LYS HA 1.0 1.912 4.412 43 43 A 25 ARG H A 26 ASN H 1.0 1.795 3.643 44 44 A 26 ASN H A 26 ASN HBx 1.0 1.600 6.000 45 45 A 26 ASN H A 22 LYS HGx 1.0 1.600 6.000 46 46 A 26 ASN H A 25 ARG HBx 1.0 1.841 3.903 47 47 A 34 ARG H A 34 ARG HGx 1.0 1.777 3.551 48 48 A 4 GLU H A 4 GLU HBy 1.0 1.748 3.414 49 49 A 7 SER H A 6 LEU HG 1.0 1.904 4.344 50 50 A 7 SER H A 6 LEU HDy% 1.0 1.863 4.049 51 51 A 30 LEU H A 30 LEU HDy% 1.0 1.746 3.400 52 52 A 30 LEU H A 30 LEU HBx 1.0 1.733 3.345 53 53 A 30 LEU H A 30 LEU HG 1.0 1.702 3.210 54 54 A 30 LEU H A 30 LEU HBy 1.0 1.868 4.078 55 55 A 4 GLU H A 4 GLU HBx 1.0 1.790 3.618 56 56 A 30 LEU H A 28 GLU HBy 1.0 1.925 4.527 57 57 A 7 SER H A 6 LEU HA 1.0 1.571 2.723 58 58 A 30 LEU H A 29 HIS HA 1.0 1.745 3.401 59 59 A 7 SER HA A 7 SER H 1.0 1.810 3.726 60 60 A 30 LEU H A 25 ARG HA 1.0 1.686 3.144 61 61 A 7 SER H A 7 SER HBx 1.0 1.765 3.491 62 62 A 30 LEU H A 30 LEU HA 1.0 1.760 3.470 63 63 A 30 LEU H A 29 HIS H 1.0 1.730 3.332 64 64 A 4 GLU H A 3 CYS HA 1.0 1.517 2.549 65 65 A 4 GLU H A 3 CYS HBx 1.0 1.781 3.573 66 66 A 20 CYS H A 18 GLY HAy 1.0 1.878 4.148 67 67 A 20 CYS H A 20 CYS HA 1.0 1.856 3.996 68 68 A 20 CYS H A 35 CYS HA 1.0 1.600 6.000 69 69 A 2 THR H A 1 LYS HA 1.0 1.564 2.700 70 70 A 2 THR HB A 2 THR H 1.0 1.873 4.107 71 71 A 40 ARG H A 36 ARG HDy 1.0 1.600 6.000 72 72 A 20 CYS H A 21 ASN HBx 1.0 1.600 6.000 73 73 A 39 PHE HBy A 40 ARG H 1.0 1.723 3.299 74 74 A 39 PHE HBx A 40 ARG H 1.0 1.838 3.886 75 75 A 2 THR H A 1 LYS HBy 1.0 1.827 3.825 76 76 A 2 THR HG2% A 2 THR H 1.0 1.739 3.371 77 77 A 40 ARG H A 40 ARG HA 1.0 1.759 3.461 78 78 A 2 THR HA A 2 THR H 1.0 1.633 2.939 79 79 A 40 ARG H A 39 PHE HA 1.0 1.600 6.000 80 80 A 4 GLU H A 2 THR H 1.0 1.600 6.000 81 81 A 6 LEU HA A 6 LEU H 1.0 1.755 3.445 82 82 A 5 ASN HBx A 6 LEU H 1.0 1.658 3.034 83 83 A 5 ASN HBy A 6 LEU H 1.0 1.816 3.758 84 84 A 6 LEU H A 6 LEU HBy 1.0 1.703 3.213 85 85 A 6 LEU H A 6 LEU HBx 1.0 1.639 2.963 86 86 A 6 LEU HG A 6 LEU H 1.0 1.600 6.000 87 87 A 6 LEU H A 6 LEU HDx% 1.0 1.600 6.000 88 88 A 5 ASN HA A 6 LEU H 1.0 1.547 2.647 89 89 A 6 LEU H A 5 ASN HD2x 1.0 1.927 4.551 90 90 A 45 ASN HA A 31 LEU H 1.0 1.743 3.391 91 91 A 30 LEU HA A 31 LEU H 1.0 1.720 3.284 92 92 A 12 GLY H A 11 LYS HA 1.0 1.644 2.980 93 93 A 31 LEU H A 31 LEU HA 1.0 1.746 3.402 94 94 A 30 LEU HBy A 31 LEU H 1.0 1.564 2.700 95 95 A 31 LEU HG A 31 LEU H 1.0 1.648 2.998 96 96 A 31 LEU H A 31 LEU HBx 1.0 1.665 3.063 97 97 A 31 LEU H A 31 LEU HBy 1.0 1.600 6.000 98 98 A 31 LEU H A 30 LEU HDx% 1.0 1.792 3.632 99 99 A 31 LEU H A 31 LEU HDy% 1.0 1.853 3.981 100 100 A 31 LEU HDx% A 31 LEU H 1.0 1.885 4.199 101 101 A 27 ASN H A 27 ASN HA 1.0 1.768 3.506 102 102 A 26 ASN HA A 27 ASN H 1.0 1.933 4.603 103 103 A 39 PHE H A 38 ASP HBy 1.0 1.870 4.088 104 104 A 26 ASN HBx A 27 ASN H 1.0 1.794 3.640 105 105 A 27 ASN H A 27 ASN HBx 1.0 1.792 3.624 106 106 A 36 ARG HBx A 39 PHE H 1.0 1.686 3.146 107 107 A 21 ASN HD2x A 21 ASN HD2y 1.0 1.349 2.089 108 108 A 3 CYS H A 2 THR H 1.0 1.600 6.000 109 109 A 26 ASN H A 27 ASN H 1.0 1.719 3.283 110 110 A 9 THR H A 9 THR HG2% 1.0 1.700 3.202 111 111 A 10 PHE H A 11 LYS HDy 1.0 1.600 6.000 112 112 A 10 PHE H A 11 LYS HBy 1.0 1.600 6.000 113 113 A 11 LYS H A 10 PHE HBy 1.0 1.873 4.111 114 114 A 24 CYS HBx A 25 ARG H 1.0 1.848 3.950 115 115 A 25 ARG H A 25 ARG HBx 1.0 1.809 3.719 116 116 A 25 ARG H A 26 ASN HBy 1.0 1.600 6.000 117 117 A 21 ASN HD2x A 21 ASN HBy 1.0 1.600 6.000 118 118 A 21 ASN HBx A 21 ASN HD2x 1.0 1.830 3.838 119 119 A 10 PHE H A 8 GLY HAy 1.0 1.899 4.299 120 120 A 9 THR H A 8 GLY HAy 1.0 1.884 4.188 121 121 A 9 THR H A 9 THR HA 1.0 1.716 3.272 122 122 A 24 CYS H A 27 ASN HD2y 1.0 1.892 4.252 123 123 A 26 ASN H A 27 ASN HD2y 1.0 1.781 3.575 124 124 A 19 ASN HD2y A 39 PHE HDy 1.0 1.600 6.000 125 124 A 19 ASN HD2y A 39 PHE HDx 1.0 1.600 6.000 126 125 A 5 ASN HBx A 5 ASN HD2y 1.0 1.799 3.665 127 126 A 22 LYS H A 22 LYS HGy 1.0 1.836 3.874 128 127 A 26 ASN HA A 26 ASN HD2y 1.0 1.783 3.581 129 128 A 32 SER H A 31 LEU HA 1.0 1.861 4.031 130 129 A 32 SER H A 44 THR HB 1.0 1.796 3.646 131 130 A 32 SER H A 32 SER HA 1.0 1.744 3.394 132 131 A 26 ASN HD2y A 26 ASN HD2x 1.0 1.232 1.810 133 132 A 45 ASN HD2y A 45 ASN HD2x 1.0 1.248 1.848 134 133 A 32 SER H A 31 LEU H 1.0 1.637 2.953 135 134 A 32 SER H A 33 GLY H 1.0 1.752 3.434 136 135 A 26 ASN HBx A 26 ASN HD2y 1.0 1.738 3.368 137 136 A 32 SER H A 31 LEU HDy% 1.0 1.910 4.394 138 137 A 31 LEU HDy% A 45 ASN HD2y 1.0 1.840 3.894 139 138 A 32 SER H A 31 LEU HDx% 1.0 1.902 4.330 140 139 A 32 SER H A 31 LEU HBy 1.0 1.600 6.000 141 140 A 32 SER H A 44 THR HG2% 1.0 1.894 4.262 142 141 A 30 LEU HBx A 45 ASN HD2y 1.0 1.878 4.142 143 142 A 32 SER H A 30 LEU HBy 1.0 1.876 4.132 144 143 A 32 SER H A 31 LEU HG 1.0 1.909 4.389 145 144 A 32 SER H A 31 LEU HBx 1.0 1.676 3.106 146 145 A 36 ARG HBx A 19 ASN HD2y 1.0 1.600 6.000 147 146 A 45 ASN HD2y A 45 ASN HBy 1.0 1.748 3.414 148 147 A 26 ASN HBy A 26 ASN HD2y 1.0 1.645 2.987 149 148 A 32 SER H A 24 CYS HBx 1.0 1.600 6.000 150 149 A 5 ASN HBy A 5 ASN HD2y 1.0 1.600 6.000 151 150 A 22 LYS HA A 26 ASN HD2y 1.0 1.916 4.444 152 151 A 5 ASN HA A 42 TRP HZ3 1.0 1.619 2.887 153 152 A 42 TRP HZ3 A 42 TRP HZ2 1.0 1.600 6.000 154 153 A 19 ASN HD2y A 19 ASN HD2x 1.0 1.404 2.230 155 154 A 42 TRP HBx A 42 TRP HD1 1.0 1.883 4.179 156 155 A 42 TRP HZ2 A 42 TRP HH2 1.0 1.521 2.565 157 156 A 31 LEU HDy% A 45 ASN HD2x 1.0 1.600 6.000 158 157 A 31 LEU HDx% A 45 ASN HD2x 1.0 1.600 6.000 159 158 A 19 ASN HD2x A 36 ARG HDx 1.0 1.600 6.000 160 159 A 6 LEU H A 42 TRP HZ3 1.0 1.646 2.986 161 160 A 22 LYS HA A 26 ASN HD2x 1.0 1.910 4.394 162 161 A 45 ASN HD2x A 46 ARG HDx 1.0 1.854 3.986 163 162 A 45 ASN HD2x A 45 ASN HBy 1.0 1.862 4.040 164 163 A 28 GLU HBy A 28 GLU H 1.0 1.808 3.716 165 164 A 27 ASN HBx A 28 GLU H 1.0 1.850 3.960 166 165 A 26 ASN HBy A 26 ASN HD2x 1.0 1.827 3.823 167 166 A 24 CYS HA A 28 GLU H 1.0 1.779 3.561 168 167 A 39 PHE HDy A 19 ASN HD2x 1.0 1.600 6.000 169 167 A 39 PHE HDx A 19 ASN HD2x 1.0 1.600 6.000 170 168 A 42 TRP HE3 A 42 TRP HZ3 1.0 1.463 2.393 171 169 A 24 CYS H A 28 GLU H 1.0 1.600 6.000 172 170 A 5 ASN H A 5 ASN HD2x 1.0 1.600 6.000 173 171 A 42 TRP HE3 A 6 LEU H 1.0 1.885 4.197 174 172 A 39 PHE H A 39 PHE HDy 1.0 1.641 2.971 175 172 A 39 PHE H A 39 PHE HDx 1.0 1.641 2.971 176 173 A 42 TRP HE3 A 42 TRP HD1 1.0 1.600 6.000 177 174 A 5 ASN HA A 42 TRP HE3 1.0 1.611 2.863 178 175 A 39 PHE HA A 39 PHE HDy 1.0 1.831 3.841 179 175 A 39 PHE HA A 39 PHE HDx 1.0 1.831 3.841 180 176 A 39 PHE HDy A 36 ARG HDx 1.0 1.899 4.299 181 176 A 39 PHE HDx A 36 ARG HDx 1.0 1.899 4.299 182 177 A 42 TRP HBx A 42 TRP HE3 1.0 1.600 6.000 183 178 A 5 ASN HBx A 5 ASN HD2x 1.0 1.767 3.503 184 179 A 6 LEU HA A 5 ASN HD2x 1.0 1.938 4.656 185 180 A 5 ASN HBy A 5 ASN HD2x 1.0 1.847 3.935 186 181 A 42 TRP HE3 A 5 ASN HBy 1.0 1.600 6.000 187 182 A 42 TRP HE3 A 4 GLU HGy 1.0 1.600 2.822 188 183 A 36 ARG HBx A 39 PHE HDy 1.0 1.732 3.340 189 183 A 36 ARG HBx A 39 PHE HDx 1.0 1.732 3.340 190 184 A 42 TRP HE3 A 4 GLU HBy 1.0 1.600 6.000 191 185 A 11 LYS HDx A 10 PHE HDy 1.0 1.847 3.937 192 185 A 10 PHE HDx A 11 LYS HDx 1.0 1.847 3.937 193 186 A 10 PHE HBy A 10 PHE HDy 1.0 1.724 3.308 194 186 A 10 PHE HBy A 10 PHE HDx 1.0 1.724 3.308 195 187 A 10 PHE HDy A 10 PHE HBx 1.0 1.659 3.037 196 187 A 10 PHE HDx A 10 PHE HBx 1.0 1.659 3.037 197 188 A 36 ARG HDx A 19 ASN H 1.0 1.851 3.969 198 189 A 10 PHE HDy A 11 LYS HBx 1.0 1.600 6.000 199 189 A 10 PHE HDx A 11 LYS HBx 1.0 1.600 6.000 200 190 A 5 ASN HD2x A 10 PHE HDy 1.0 1.600 6.000 201 190 A 5 ASN HD2x A 10 PHE HDx 1.0 1.600 6.000 202 191 A 42 TRP HZ2 A 10 PHE HDy 1.0 1.600 6.000 203 191 A 42 TRP HZ2 A 10 PHE HDx 1.0 1.600 6.000 204 192 A 29 HIS H A 27 ASN H 1.0 1.874 4.122 205 193 A 29 HIS H A 28 GLU H 1.0 1.630 2.928 206 194 A 25 ARG HA A 29 HIS H 1.0 1.776 3.550 207 195 A 29 HIS HA A 29 HIS H 1.0 1.516 2.548 208 196 A 28 GLU HBy A 29 HIS H 1.0 1.898 4.294 209 197 A 4 GLU HA A 4 GLU H 1.0 1.826 3.810 210 198 A 6 LEU HDy% A 6 LEU HBy 1.0 1.736 3.354 211 199 A 8 GLY H A 8 GLY HAx 1.0 1.870 4.092 212 200 A 8 GLY H A 8 GLY HAy 1.0 1.792 3.626 213 201 A 8 GLY H A 9 THR H 1.0 1.600 6.000 214 202 A 43 CYS HA A 33 GLY HAx 1.0 1.600 6.000 215 203 A 43 CYS HA A 33 GLY HAy 1.0 1.600 6.000 216 204 A 43 CYS HBy A 43 CYS HA 1.0 1.731 3.337 217 205 A 43 CYS HBx A 43 CYS HA 1.0 1.816 3.758 218 206 A 43 CYS HA A 43 CYS H 1.0 1.842 3.910 219 207 A 4 GLU HA A 4 GLU HBy 1.0 1.830 3.834 220 208 A 4 GLU HA A 4 GLU HBx 1.0 1.766 3.496 221 209 A 5 ASN HA A 5 ASN HBx 1.0 1.657 3.029 222 210 A 5 ASN HA A 5 ASN HBy 1.0 1.785 3.591 223 211 A 44 THR HA A 4 GLU HGx 1.0 1.903 4.331 224 212 A 44 THR HA A 4 GLU HBx 1.0 1.881 4.171 225 213 A 2 THR HA A 44 THR HG2% 1.0 1.600 6.000 226 214 A 2 THR HA A 2 THR HG2% 1.0 1.524 2.572 227 215 A 2 THR HA A 31 LEU HDx% 1.0 1.906 4.360 228 216 A 36 ARG HA A 36 ARG HBx 1.0 1.688 3.154 229 217 A 44 THR HA A 44 THR HB 1.0 1.738 3.366 230 218 A 2 THR HA A 2 THR HB 1.0 1.481 2.443 231 219 A 2 THR HA A 3 CYS HA 1.0 1.600 6.000 232 220 A 45 ASN H A 44 THR HA 1.0 1.509 2.527 233 221 A 5 ASN HA A 5 ASN HD2y 1.0 1.600 6.000 234 222 A 5 ASN HA A 5 ASN HD2x 1.0 1.600 6.000 235 223 A 4 GLU HA A 44 THR HA 1.0 1.588 2.782 236 224 A 44 THR HA A 44 THR HG2% 1.0 1.585 2.769 237 225 A 3 CYS H A 3 CYS HA 1.0 1.817 3.761 238 226 A 45 ASN HA A 30 LEU HBy 1.0 1.864 4.048 239 227 A 45 ASN HA A 46 ARG HBy 1.0 1.600 6.000 240 228 A 45 ASN HA A 46 ARG HGx 1.0 1.849 3.955 241 229 A 36 ARG HA A 15 ILE HD1% 1.0 1.856 4.000 242 230 A 26 ASN HA A 26 ASN HBx 1.0 1.727 3.317 243 231 A 7 SER HA A 5 ASN HD2y 1.0 1.892 4.250 244 232 A 11 LYS HA A 11 LYS H 1.0 1.867 4.069 245 233 A 11 LYS HA A 11 LYS HBx 1.0 1.704 3.218 246 234 A 11 LYS HA A 11 LYS HBy 1.0 1.838 3.884 247 235 A 11 LYS HA A 11 LYS HGx 1.0 1.899 4.299 248 236 A 11 LYS HA A 11 LYS HGy 1.0 1.839 3.887 249 237 A 6 LEU HDy% A 6 LEU H 1.0 1.895 4.267 250 238 A 6 LEU HDy% A 34 ARG HBy 1.0 1.825 3.807 251 239 A 6 LEU HDy% A 6 LEU HBx 1.0 1.853 3.977 252 240 A 6 LEU HDy% A 6 LEU HDx% 1.0 1.547 2.645 253 241 A 6 LEU HDy% A 34 ARG HBx 1.0 1.600 6.000 254 242 A 6 LEU HDy% A 11 LYS HDy 1.0 1.600 6.000 255 243 A 6 LEU HG A 6 LEU HDy% 1.0 1.526 2.580 256 244 A 6 LEU HG A 6 LEU HDx% 1.0 1.526 2.582 257 245 A 6 LEU HG A 6 LEU HBy 1.0 1.733 3.343 258 246 A 6 LEU HG A 6 LEU HBx 1.0 1.705 3.223 259 247 A 6 LEU HBx A 6 LEU HDx% 1.0 1.844 3.924 260 248 A 31 LEU HDx% A 31 LEU HDy% 1.0 1.384 2.174 261 249 A 31 LEU HDx% A 44 THR HG2% 1.0 1.554 2.668 262 250 A 31 LEU HDx% A 2 THR HG2% 1.0 1.538 2.618 263 251 A 31 LEU HDx% A 31 LEU HG 1.0 1.537 2.615 264 252 A 31 LEU HDx% A 31 LEU HBx 1.0 1.609 2.853 265 253 A 31 LEU HDx% A 31 LEU HBy 1.0 1.611 2.861 266 254 A 6 LEU HBy A 6 LEU HBx 1.0 1.493 2.479 267 255 A 31 LEU HDx% A 4 GLU HBx 1.0 1.600 6.000 268 256 A 45 ASN HA A 31 LEU HDx% 1.0 1.749 3.419 269 257 A 31 LEU HDx% A 31 LEU HA 1.0 1.834 3.864 270 258 A 44 THR HB A 31 LEU HDx% 1.0 1.841 3.899 271 259 A 2 THR HG2% A 1 LYS HA 1.0 1.848 3.950 272 260 A 2 THR HB A 2 THR HG2% 1.0 1.513 2.541 273 261 A 45 ASN HA A 2 THR HG2% 1.0 1.600 6.000 274 262 A 30 LEU HDy% A 31 LEU H 1.0 1.835 3.865 275 263 A 45 ASN HA A 30 LEU HDy% 1.0 1.600 6.000 276 264 A 45 ASN HA A 31 LEU HDy% 1.0 1.876 4.132 277 265 A 31 LEU HBy A 31 LEU HDy% 1.0 1.631 2.933 278 266 A 31 LEU HBx A 31 LEU HDy% 1.0 1.790 3.618 279 267 A 31 LEU HG A 31 LEU HDy% 1.0 1.567 2.711 280 268 A 44 THR H A 31 LEU HDy% 1.0 1.600 6.000 281 269 A 15 ILE HG2% A 15 ILE HG1x 1.0 1.697 3.193 282 270 A 15 ILE HD1% A 15 ILE HG1y 1.0 1.582 2.762 283 271 A 15 ILE HD1% A 15 ILE HG1x 1.0 1.561 2.689 284 272 A 15 ILE HD1% A 17 ASP HBx 1.0 1.884 4.190 285 273 A 6 LEU HBy A 6 LEU HDx% 1.0 1.937 4.639 286 274 A 30 LEU HBx A 30 LEU HDx% 1.0 1.666 3.066 287 275 A 30 LEU HDy% A 30 LEU HBx 1.0 1.706 3.226 288 276 A 30 LEU HDy% A 30 LEU HBy 1.0 1.625 2.911 289 277 A 30 LEU HG A 30 LEU HDx% 1.0 1.589 2.785 290 278 A 30 LEU HDy% A 30 LEU HG 1.0 1.530 2.590 291 279 A 30 LEU HDy% A 28 GLU HBx 1.0 1.600 6.000 292 280 A 28 GLU HBy A 30 LEU HDx% 1.0 1.761 3.471 293 281 A 6 LEU HBy A 11 LYS HDx 1.0 1.629 2.925 294 282 A 43 CYS HBy A 30 LEU HDx% 1.0 1.649 3.001 295 283 A 43 CYS HBx A 30 LEU HDx% 1.0 1.600 6.000 296 284 A 30 LEU HDy% A 30 LEU HA 1.0 1.494 2.482 297 285 A 30 LEU H A 30 LEU HDx% 1.0 1.928 4.558 298 286 A 44 THR HG2% A 30 LEU HDx% 1.0 1.600 6.000 299 287 A 44 THR HG2% A 31 LEU HBx 1.0 1.778 3.556 300 288 A 44 THR HG2% A 31 LEU HBy 1.0 1.815 3.753 301 289 A 44 THR HG2% A 4 GLU HBx 1.0 1.924 4.516 302 290 A 9 THR HG2% A 11 LYS HDx 1.0 1.600 6.000 303 291 A 9 THR HG2% A 9 THR HA 1.0 1.600 6.000 304 292 A 9 THR HG2% A 9 THR HB 1.0 1.494 2.482 305 293 A 44 THR HB A 44 THR HG2% 1.0 1.475 2.425 306 294 A 45 ASN HA A 44 THR HG2% 1.0 1.891 4.239 307 295 A 45 ASN H A 44 THR HG2% 1.0 1.690 3.160 308 296 A 11 LYS HDx A 11 LYS HGy 1.0 1.856 4.002 309 297 A 11 LYS HBy A 11 LYS HGy 1.0 1.735 3.353 310 298 A 11 LYS HDy A 11 LYS HGx 1.0 1.605 2.841 311 299 A 36 ARG HGx A 36 ARG HGy 1.0 1.547 2.647 312 300 A 2 THR HG2% A 46 ARG HGy 1.0 1.681 3.127 313 301 A 36 ARG HBx A 36 ARG HGx 1.0 1.775 3.541 314 302 A 36 ARG HA A 36 ARG HGx 1.0 1.892 4.250 315 303 A 30 LEU HBx A 31 LEU HBx 1.0 1.600 6.000 316 304 A 30 LEU HBy A 31 LEU HBy 1.0 1.600 6.000 317 305 A 30 LEU HBx A 31 LEU HA 1.0 1.600 6.000 318 306 A 30 LEU HA A 31 LEU HBy 1.0 1.600 6.000 319 307 A 25 ARG H A 25 ARG HBy 1.0 1.818 3.770 320 308 A 25 ARG H A 25 ARG HGx 1.0 1.731 3.337 321 309 A 26 ASN H A 25 ARG HGx 1.0 1.883 4.181 322 310 A 26 ASN H A 25 ARG HBy 1.0 1.860 4.022 323 311 A 11 LYS HBy A 11 LYS HGx 1.0 1.640 2.964 324 312 A 11 LYS HDy A 11 LYS HGy 1.0 1.673 3.089 325 313 A 34 ARG HGx A 34 ARG HGy 1.0 1.431 2.301 326 314 A 11 LYS HBy A 11 LYS HBx 1.0 1.367 2.131 327 315 A 34 ARG HGx A 34 ARG HBy 1.0 1.673 3.091 328 316 A 25 ARG HBy A 25 ARG HDy 1.0 1.759 3.467 329 317 A 42 TRP HBx A 34 ARG HGx 1.0 1.600 6.000 330 318 A 11 LYS HA A 11 LYS HDy 1.0 1.600 6.000 331 319 A 22 LYS HGx A 19 ASN H 1.0 1.971 5.065 332 320 A 30 LEU HA A 31 LEU HBx 1.0 1.600 6.000 333 321 A 46 ARG HGx A 46 ARG HA 1.0 1.895 4.267 334 322 A 46 ARG HGx A 46 ARG HDy 1.0 1.821 3.785 335 323 A 46 ARG HGx A 46 ARG HBx 1.0 1.632 2.936 336 324 A 31 LEU HBx A 31 LEU HBy 1.0 1.427 2.291 337 325 A 11 LYS HDy A 11 LYS HBy 1.0 1.600 6.000 338 326 A 46 ARG HGx A 46 ARG HGy 1.0 1.593 2.799 339 327 A 46 ARG HBy A 46 ARG HGy 1.0 1.720 3.286 340 328 A 31 LEU HG A 31 LEU HBy 1.0 1.752 3.432 341 329 A 46 ARG HBy A 46 ARG HA 1.0 1.831 3.843 342 330 A 30 LEU HBx A 30 LEU HG 1.0 1.685 3.143 343 331 A 30 LEU HG A 25 ARG HDy 1.0 1.600 6.000 344 332 A 30 LEU HG A 30 LEU HA 1.0 1.816 3.760 345 333 A 30 LEU HG A 31 LEU H 1.0 1.600 6.000 346 334 A 2 THR HG2% A 4 GLU HBx 1.0 1.600 6.000 347 335 A 15 ILE HG1y A 36 ARG HBy 1.0 1.933 4.603 348 336 A 36 ARG HGx A 36 ARG HBy 1.0 1.648 2.994 349 337 A 25 ARG HBx A 25 ARG HBy 1.0 1.503 2.509 350 338 A 25 ARG HBx A 25 ARG HDx 1.0 1.784 3.588 351 339 A 36 ARG HBy A 37 ASP HA 1.0 1.600 6.000 352 340 A 36 ARG HA A 36 ARG HBy 1.0 1.698 3.194 353 341 A 44 THR H A 4 GLU HBx 1.0 1.600 6.000 354 342 A 45 ASN H A 4 GLU HBx 1.0 1.600 6.000 355 343 A 30 LEU HBy A 30 LEU HA 1.0 1.708 3.234 356 344 A 13 PRO HBx A 13 PRO HBy 1.0 1.674 3.094 357 345 A 13 PRO HBx A 13 PRO HGy 1.0 1.670 3.082 358 346 A 46 ARG HBy A 46 ARG HBx 1.0 1.551 2.657 359 347 A 30 LEU HG A 30 LEU HBy 1.0 1.600 6.000 360 348 A 30 LEU HBx A 30 LEU HBy 1.0 1.528 2.586 361 349 A 46 ARG HGy A 46 ARG HBx 1.0 1.837 3.879 362 350 A 2 THR HG2% A 46 ARG HBx 1.0 1.840 3.896 363 351 A 30 LEU HBy A 30 LEU HDx% 1.0 1.626 2.914 364 352 A 30 LEU HBy A 31 LEU HDy% 1.0 1.840 3.898 365 353 A 31 LEU HDx% A 30 LEU HBy 1.0 1.600 6.000 366 354 A 16 PRO HGy A 16 PRO HBy 1.0 1.731 3.335 367 355 A 1 LYS HA A 1 LYS HBy 1.0 1.839 3.893 368 356 A 16 PRO HBy A 16 PRO HBx 1.0 1.566 2.706 369 357 A 28 GLU HGy A 28 GLU HA 1.0 1.761 3.473 370 358 A 1 LYS HA A 1 LYS HBx 1.0 1.789 3.613 371 359 A 16 PRO HGy A 17 ASP HA 1.0 1.600 6.000 372 360 A 22 LYS H A 22 LYS HBy 1.0 1.742 3.386 373 361 A 34 ARG HBy A 34 ARG HBx 1.0 1.481 2.445 374 362 A 34 ARG HBy A 20 CYS HBy 1.0 1.600 6.000 375 363 A 16 PRO HA A 16 PRO HBx 1.0 1.814 3.746 376 364 A 34 ARG H A 34 ARG HBy 1.0 1.775 3.541 377 365 A 15 ILE HG1y A 15 ILE HB 1.0 1.808 3.716 378 366 A 15 ILE HG1x A 15 ILE HB 1.0 1.823 3.799 379 367 A 15 ILE HG2% A 15 ILE HB 1.0 1.577 2.743 380 368 A 15 ILE HD1% A 15 ILE HB 1.0 1.683 3.133 381 369 A 4 GLU HBy A 1 LYS HDy 1.0 1.731 3.335 382 370 A 4 GLU HBy A 4 GLU HBx 1.0 1.520 2.560 383 371 A 17 ASP HBx A 15 ILE HB 1.0 1.877 4.141 384 372 A 5 ASN H A 4 GLU HBy 1.0 1.914 4.424 385 373 A 4 GLU HGx A 4 GLU H 1.0 1.600 6.000 386 374 A 36 ARG HBx A 36 ARG HBy 1.0 1.456 2.370 387 375 A 4 GLU HGx A 34 ARG HBy 1.0 1.600 6.000 388 376 A 4 GLU HGx A 4 GLU HBy 1.0 1.600 6.000 389 377 A 4 GLU HGy A 4 GLU HGx 1.0 1.333 2.047 390 378 A 5 ASN HBy A 4 GLU HGx 1.0 1.600 6.000 391 379 A 39 PHE HBy A 36 ARG HBx 1.0 1.861 4.033 392 380 A 4 GLU HGx A 32 SER HBx 1.0 1.800 3.672 393 381 A 36 ARG HBx A 40 ARG HA 1.0 1.600 6.000 394 382 A 4 GLU HA A 4 GLU HGx 1.0 1.785 3.593 395 383 A 4 GLU HGy A 5 ASN HD2x 1.0 1.600 6.000 396 384 A 4 GLU HA A 4 GLU HGy 1.0 1.823 3.801 397 385 A 4 GLU HGy A 42 TRP HBy 1.0 1.830 3.838 398 386 A 30 LEU HG A 28 GLU HBx 1.0 1.600 6.000 399 387 A 4 GLU HGy A 4 GLU HBy 1.0 1.709 3.239 400 388 A 13 PRO HBy A 13 PRO HA 1.0 1.933 4.605 401 389 A 10 PHE H A 10 PHE HBy 1.0 1.931 4.581 402 390 A 27 ASN HA A 27 ASN HBx 1.0 1.755 3.443 403 391 A 5 ASN HBy A 5 ASN HBx 1.0 1.433 2.307 404 392 A 25 ARG H A 24 CYS HBy 1.0 1.852 3.974 405 393 A 17 ASP HBx A 17 ASP HA 1.0 1.911 4.397 406 394 A 24 CYS HA A 24 CYS HBy 1.0 1.718 3.276 407 395 A 24 CYS HBy A 21 ASN HA 1.0 1.866 4.064 408 396 A 25 ARG HDx A 24 CYS HBy 1.0 1.824 3.800 409 397 A 5 ASN HBy A 6 LEU HA 1.0 1.600 6.000 410 398 A 30 LEU HBx A 24 CYS HBy 1.0 1.853 3.981 411 399 A 30 LEU HDx% A 24 CYS HBy 1.0 1.908 4.374 412 400 A 24 CYS HBx A 30 LEU HBx 1.0 1.926 4.542 413 401 A 24 CYS HBx A 43 CYS HBx 1.0 1.600 6.000 414 402 A 24 CYS HBx A 25 ARG HDy 1.0 1.600 6.000 415 403 A 39 PHE HBy A 39 PHE HBx 1.0 1.352 2.094 416 404 A 26 ASN HBx A 26 ASN HBy 1.0 1.322 2.020 417 405 A 24 CYS HBx A 43 CYS HBy 1.0 1.600 6.000 418 406 A 39 PHE H A 38 ASP HBx 1.0 1.920 4.486 419 407 A 38 ASP HBy A 38 ASP H 1.0 1.748 3.412 420 408 A 39 PHE HBx A 39 PHE HA 1.0 1.730 3.332 421 409 A 24 CYS HBx A 24 CYS HBy 1.0 1.420 2.272 422 410 A 47 CYS HBy A 3 CYS HBy 1.0 1.874 4.120 423 411 A 34 ARG HBx A 20 CYS HBy 1.0 1.600 6.000 424 412 A 36 ARG HGy A 20 CYS HBy 1.0 1.844 3.926 425 413 A 27 ASN HBx A 26 ASN HBy 1.0 1.600 6.000 426 414 A 20 CYS HBy A 20 CYS HBx 1.0 1.583 2.765 427 415 A 43 CYS HBy A 45 ASN HBy 1.0 1.600 6.000 428 416 A 26 ASN HA A 26 ASN HBy 1.0 1.653 3.013 429 417 A 3 CYS HBy A 3 CYS HA 1.0 1.776 3.548 430 418 A 44 THR HA A 45 ASN HBy 1.0 1.600 6.000 431 419 A 19 ASN H A 20 CYS HBy 1.0 1.600 6.000 432 420 A 26 ASN HBy A 27 ASN HD2y 1.0 1.898 4.296 433 421 A 27 ASN H A 26 ASN HBy 1.0 1.864 4.048 434 422 A 26 ASN H A 26 ASN HBy 1.0 1.783 3.577 435 423 A 20 CYS HA A 20 CYS HBy 1.0 1.883 4.181 436 424 A 21 ASN HBy A 22 LYS H 1.0 1.862 4.036 437 425 A 42 TRP H A 42 TRP HBy 1.0 1.600 6.000 438 426 A 42 TRP HE3 A 42 TRP HBy 1.0 1.730 3.330 439 427 A 39 PHE HBy A 39 PHE HA 1.0 1.653 3.017 440 428 A 46 ARG HDx A 46 ARG HDy 1.0 1.433 2.307 441 429 A 45 ASN HBy A 46 ARG HDx 1.0 1.600 6.000 442 430 A 26 ASN HBx A 27 ASN HBy 1.0 1.600 6.000 443 431 A 46 ARG HDx A 46 ARG HGx 1.0 1.795 3.641 444 432 A 46 ARG HDx A 46 ARG HBx 1.0 1.800 3.668 445 433 A 46 ARG HDx A 46 ARG HBy 1.0 1.844 3.922 446 434 A 46 ARG HDx A 46 ARG HGy 1.0 1.864 4.048 447 435 A 45 ASN HA A 45 ASN HBx 1.0 1.725 3.307 448 436 A 3 CYS HA A 3 CYS HBx 1.0 1.613 2.869 449 437 A 26 ASN HBx A 26 ASN HD2x 1.0 1.913 4.413 450 438 A 3 CYS H A 3 CYS HBx 1.0 1.825 3.809 451 439 A 44 THR H A 43 CYS HBx 1.0 1.600 6.000 452 440 A 6 LEU HDy% A 34 ARG HDy 1.0 1.898 4.290 453 441 A 6 LEU HG A 34 ARG HDy 1.0 1.922 4.492 454 442 A 6 LEU HG A 34 ARG HDx 1.0 1.600 6.000 455 443 A 6 LEU HA A 6 LEU HDx% 1.0 1.816 3.762 456 444 A 34 ARG HGy A 34 ARG HDx 1.0 1.789 3.609 457 445 A 34 ARG HGx A 34 ARG HDx 1.0 1.791 3.625 458 446 A 39 PHE HBy A 36 ARG HGy 1.0 1.873 4.109 459 447 A 11 LYS HDy A 11 LYS HEy 1.0 1.767 3.501 460 448 A 11 LYS HGy A 11 LYS HEy 1.0 1.864 4.050 461 449 A 39 PHE HBy A 36 ARG HGx 1.0 1.888 4.212 462 450 A 39 PHE HBy A 20 CYS HBy 1.0 1.600 6.000 463 451 A 11 LYS HDx A 11 LYS HEy 1.0 1.892 4.250 464 452 A 42 TRP HBx A 4 GLU HGx 1.0 1.916 4.446 465 453 A 11 LYS HBx A 11 LYS HEy 1.0 1.600 6.000 466 454 A 22 LYS HEx A 19 ASN HA 1.0 1.714 3.260 467 455 A 22 LYS HEx A 19 ASN HBx 1.0 1.506 2.520 468 456 A 25 ARG HBx A 25 ARG HDy 1.0 1.857 4.005 469 457 A 22 LYS HDx A 19 ASN HBy 1.0 1.772 3.526 470 458 A 46 ARG HBy A 46 ARG HDy 1.0 1.662 3.052 471 459 A 22 LYS HGy A 19 ASN HBy 1.0 1.754 3.442 472 460 A 46 ARG HGy A 46 ARG HDy 1.0 1.841 3.903 473 461 A 6 LEU HDy% A 6 LEU HA 1.0 1.661 3.047 474 462 A 6 LEU HG A 6 LEU HA 1.0 1.801 3.679 475 463 A 6 LEU HA A 6 LEU HBx 1.0 1.785 3.593 476 464 A 6 LEU HA A 6 LEU HBy 1.0 1.747 3.409 477 465 A 17 ASP HBx A 17 ASP HBy 1.0 1.600 2.824 478 466 A 19 ASN HBx A 19 ASN HBy 1.0 1.485 2.455 479 467 A 34 ARG HBy A 34 ARG HDx 1.0 1.899 4.307 480 468 A 21 ASN HBx A 21 ASN HBy 1.0 1.538 2.618 481 469 A 36 ARG HDy A 20 CYS HBy 1.0 1.758 3.456 482 470 A 21 ASN HBx A 21 ASN H 1.0 1.828 3.826 483 471 A 36 ARG HDy A 36 ARG HGx 1.0 1.705 3.223 484 472 A 36 ARG HBx A 36 ARG HDy 1.0 1.778 3.560 485 473 A 43 CYS HBx A 43 CYS HBy 1.0 1.500 2.502 486 474 A 36 ARG HDy A 36 ARG HDx 1.0 1.327 2.033 487 475 A 36 ARG HDy A 40 ARG HA 1.0 1.600 6.000 488 476 A 40 ARG H A 36 ARG HDx 1.0 1.600 6.000 489 477 A 19 ASN HD2y A 36 ARG HDx 1.0 1.600 6.000 490 478 A 29 HIS HA A 29 HIS HBx 1.0 1.769 3.513 491 479 A 40 ARG HA A 36 ARG HDx 1.0 1.600 6.000 492 480 A 34 ARG HDy A 34 ARG HDx 1.0 1.400 2.218 493 481 A 43 CYS HBx A 25 ARG HDx 1.0 1.600 6.000 494 482 A 39 PHE HBy A 36 ARG HDx 1.0 1.900 4.312 495 483 A 36 ARG HDx A 20 CYS HBy 1.0 1.824 3.802 496 484 A 36 ARG HDy A 36 ARG HGy 1.0 1.797 3.657 497 485 A 36 ARG HDy A 36 ARG HBy 1.0 1.779 3.561 498 486 A 34 ARG HGx A 34 ARG HDy 1.0 1.701 3.205 499 487 A 43 CYS HBy A 30 LEU HBx 1.0 1.600 6.000 500 488 A 36 ARG HDx A 36 ARG HGx 1.0 1.887 4.217 501 489 A 43 CYS HBy A 30 LEU HDy% 1.0 1.600 6.000 502 490 A 14 CYS HBx A 14 CYS HBy 1.0 1.618 2.884 503 491 A 35 CYS HBy A 35 CYS HBx 1.0 1.403 2.227 504 492 A 20 CYS HBy A 35 CYS HBx 1.0 1.600 6.000 505 493 A 29 HIS HBx A 29 HIS HBy 1.0 1.620 2.892 506 494 A 13 PRO HDy A 12 GLY HAx 1.0 1.785 3.593 507 495 A 10 PHE HDy A 10 PHE HA 1.0 1.786 3.594 508 495 A 10 PHE HDx A 10 PHE HA 1.0 1.786 3.594 509 496 A 29 HIS H A 29 HIS HBy 1.0 1.795 3.645 510 497 A 13 PRO HBy A 13 PRO HDy 1.0 1.906 4.364 511 498 A 13 PRO HGy A 13 PRO HDy 1.0 1.805 3.697 512 499 A 13 PRO HDy A 13 PRO HGx 1.0 1.725 3.309 513 500 A 13 PRO HBx A 13 PRO HDy 1.0 1.872 4.106 514 501 A 7 SER HBx A 7 SER HBy 1.0 1.553 2.665 515 502 A 7 SER H A 7 SER HBy 1.0 1.741 3.379 516 503 A 13 PRO HDy A 12 GLY HAy 1.0 1.821 3.789 517 504 A 29 HIS H A 29 HIS HBx 1.0 1.857 4.005 518 505 A 13 PRO HGy A 13 PRO HDx 1.0 1.749 3.415 519 506 A 13 PRO HGx A 13 PRO HDx 1.0 1.761 3.477 520 507 A 12 GLY HAx A 13 PRO HDx 1.0 1.795 3.641 521 508 A 12 GLY HAy A 13 PRO HDx 1.0 1.531 2.595 522 509 A 15 ILE HB A 16 PRO HDy 1.0 1.731 3.335 523 510 A 16 PRO HGy A 16 PRO HDy 1.0 1.928 4.556 524 511 A 15 ILE HB A 16 PRO HDx 1.0 1.717 3.271 525 512 A 16 PRO HGy A 16 PRO HDx 1.0 1.826 3.818 526 513 A 12 GLY HAx A 12 GLY HAy 1.0 1.539 2.621 527 514 A 12 GLY H A 12 GLY HAy 1.0 1.786 3.598 528 515 A 22 LYS HA A 22 LYS HGx 1.0 1.839 3.893 529 516 A 22 LYS HA A 25 ARG HBy 1.0 1.831 3.845 530 517 A 8 GLY HAy A 8 GLY HAx 1.0 1.452 2.362 531 518 A 22 LYS HA A 22 LYS H 1.0 1.818 3.770 532 519 A 32 SER HA A 32 SER HBy 1.0 1.636 2.948 533 520 A 32 SER HBy A 32 SER HBx 1.0 1.423 2.279 534 521 A 21 ASN HBy A 21 ASN HA 1.0 1.823 3.795 535 522 A 21 ASN HBx A 21 ASN HA 1.0 1.766 3.500 536 523 A 33 GLY H A 33 GLY HAy 1.0 1.634 2.944 537 524 A 44 THR HB A 31 LEU HBx 1.0 1.828 3.824 538 525 A 24 CYS HA A 28 GLU HBy 1.0 1.713 3.257 539 526 A 24 CYS HA A 28 GLU HGy 1.0 1.600 6.000 540 527 A 18 GLY HAy A 20 CYS HBx 1.0 1.600 6.000 541 528 A 18 GLY HAy A 17 ASP HBx 1.0 1.600 6.000 542 529 A 22 LYS HA A 33 GLY HAy 1.0 1.600 6.000 543 530 A 32 SER HA A 32 SER HBx 1.0 1.639 2.963 544 531 A 7 SER HA A 7 SER HBx 1.0 1.837 3.883 545 532 A 18 GLY HAy A 18 GLY HAx 1.0 1.656 3.024 546 533 A 43 CYS HA A 32 SER HBx 1.0 1.845 3.929 547 534 A 24 CYS HA A 27 ASN HD2x 1.0 1.600 6.000 548 535 A 34 ARG H A 33 GLY HAy 1.0 1.908 4.376 549 536 A 31 LEU HG A 31 LEU HA 1.0 1.768 3.504 550 537 A 31 LEU HA A 31 LEU HBx 1.0 1.779 3.563 551 538 A 31 LEU HA A 31 LEU HBy 1.0 1.649 3.001 552 539 A 12 GLY H A 12 GLY HAx 1.0 1.852 3.974 553 540 A 25 ARG H A 25 ARG HA 1.0 1.786 3.594 554 541 A 19 ASN HA A 19 ASN HBy 1.0 1.576 2.740 555 542 A 27 ASN HBx A 28 GLU HA 1.0 1.600 6.000 556 543 A 28 GLU HBx A 28 GLU HA 1.0 1.646 2.990 557 544 A 28 GLU HBy A 28 GLU HA 1.0 1.679 3.115 558 545 A 25 ARG HBx A 25 ARG HA 1.0 1.664 3.058 559 546 A 25 ARG HA A 25 ARG HBy 1.0 1.734 3.352 560 547 A 25 ARG HA A 25 ARG HGx 1.0 1.600 6.000 561 548 A 20 CYS HBy A 18 GLY HAx 1.0 1.600 6.000 562 549 A 19 ASN HA A 19 ASN HBx 1.0 1.574 2.736 563 550 A 24 CYS H A 30 LEU H 1.0 1.600 6.000 564 551 A 39 PHE H A 38 ASP H 1.0 1.872 4.108 565 552 A 37 ASP HA A 38 ASP H 1.0 1.873 4.111 566 553 A 38 ASP H A 38 ASP HA 1.0 1.885 4.197 567 554 A 14 CYS HBy A 36 ARG H 1.0 1.870 4.092 568 555 A 19 ASN HBy A 21 ASN H 1.0 1.600 6.000 569 556 A 39 PHE HBy A 36 ARG H 1.0 1.600 6.000 570 557 A 14 CYS HBx A 36 ARG H 1.0 1.838 3.886 571 558 A 20 CYS HBx A 36 ARG H 1.0 1.900 4.308 572 559 A 25 ARG HBx A 27 ASN H 1.0 1.600 6.000 573 560 A 36 ARG HBy A 38 ASP H 1.0 1.600 6.000 574 561 A 37 ASP H A 15 ILE HG1x 1.0 1.872 4.102 575 562 A 6 LEU HDy% A 42 TRP HZ2 1.0 1.600 6.000 576 563 A 6 LEU HDx% A 42 TRP HZ2 1.0 1.914 4.422 577 564 A 6 LEU HG A 42 TRP HZ2 1.0 1.866 4.066 578 565 A 7 SER H A 6 LEU HDx% 1.0 1.935 4.623 579 566 A 42 TRP HH2 A 11 LYS HGx 1.0 1.600 6.000 580 567 A 42 TRP HH2 A 11 LYS HDx 1.0 1.913 4.421 581 568 A 22 LYS HGx A 22 LYS H 1.0 1.893 4.261 582 569 A 42 TRP HD1 A 34 ARG HBy 1.0 1.600 6.000 583 570 A 10 PHE H A 8 GLY HAx 1.0 1.600 6.000 584 571 A 20 CYS HA A 19 ASN HD2x 1.0 1.889 4.227 585 572 A 9 THR H A 9 THR HB 1.0 1.862 4.040 586 573 A 42 TRP HE3 A 42 TRP HH2 1.0 1.600 6.000 587 574 A 27 ASN H A 28 GLU H 1.0 1.600 6.000 588 575 A 5 ASN HD2x A 5 ASN HD2y 1.0 1.282 1.924 589 576 A 39 PHE HDy A 19 ASN H 1.0 1.600 6.000 590 576 A 39 PHE HDx A 19 ASN H 1.0 1.600 6.000 591 577 A 39 PHE HDy A 18 GLY HAx 1.0 1.768 3.506 592 577 A 39 PHE HDx A 18 GLY HAx 1.0 1.768 3.506 593 578 A 28 GLU H A 28 GLU HA 1.0 1.778 3.560 594 579 A 21 ASN HBx A 21 ASN HD2y 1.0 1.932 4.594 595 580 A 5 ASN HD2x A 11 LYS HDx 1.0 1.909 4.389 596 581 A 42 TRP HE3 A 4 GLU HGx 1.0 1.600 6.000 597 582 A 45 ASN H A 44 THR HB 1.0 1.873 4.107 598 583 A 24 CYS H A 33 GLY HAy 1.0 1.909 4.387 599 584 A 26 ASN H A 25 ARG HA 1.0 1.857 4.001 600 585 A 32 SER HA A 33 GLY HAy 1.0 1.931 4.587 601 586 A 22 LYS HA A 25 ARG HBx 1.0 1.909 4.385 602 587 A 24 CYS HA A 25 ARG HGx 1.0 1.600 6.000 603 588 A 34 ARG HBy A 34 ARG HDy 1.0 1.926 4.534 604 589 A 25 ARG HDy A 25 ARG HDx 1.0 1.457 2.375 605 590 A 3 CYS HBy A 4 GLU H 1.0 1.906 4.354 606 591 A 40 ARG H A 20 CYS HBy 1.0 1.600 6.000 607 592 A 39 PHE H A 36 ARG HBy 1.0 1.921 4.485 608 593 A 42 TRP HZ3 A 42 TRP HBy 1.0 1.600 6.000 609 594 A 21 ASN HD2y A 20 CYS HBx 1.0 1.913 4.419 610 595 A 43 CYS HBy A 30 LEU HBy 1.0 1.600 6.000 611 596 A 10 PHE HBy A 10 PHE HBx 1.0 1.636 2.948 612 597 A 46 ARG HDy A 46 ARG HBx 1.0 1.846 3.938 613 598 A 31 LEU HDx% A 46 ARG HGy 1.0 1.866 4.062 614 599 A 15 ILE HG2% A 15 ILE HG1y 1.0 1.777 3.551 615 600 A 6 LEU HG A 34 ARG HBy 1.0 1.600 6.000 616 601 A 31 LEU HA A 31 LEU HDy% 1.0 1.502 2.504 617 602 A 34 ARG HGx A 41 CYS HA 1.0 1.600 6.000 618 603 A 11 LYS H A 11 LYS HBx 1.0 1.906 4.362 619 604 A 31 LEU HDx% A 45 ASN HD2y 1.0 1.904 4.340 620 605 A 32 SER H A 32 SER HBx 1.0 1.897 4.291 621 606 A 24 CYS HA A 29 HIS HA 1.0 1.600 6.000 622 607 A 31 LEU HBy A 32 SER HBx 1.0 1.600 6.000 623 608 A 27 ASN H A 27 ASN HD2x 1.0 1.600 6.000 624 609 A 9 THR H A 8 GLY HAx 1.0 1.917 4.453 625 610 A 6 LEU HDy% A 42 TRP HA 1.0 1.879 4.157 626 611 A 45 ASN H A 44 THR H 1.0 1.600 6.000 627 612 A 14 CYS HBx A 14 CYS HA 1.0 1.910 4.392 628 613 A 25 ARG HDy A 29 HIS HE1 1.0 1.600 6.000 629 614 A 29 HIS H A 25 ARG HDy 1.0 1.905 4.353 630 615 A 20 CYS H A 19 ASN HBx 1.0 1.922 4.496 631 616 A 44 THR HB A 2 THR H 1.0 1.927 4.543 632 617 A 44 THR HB A 31 LEU HBy 1.0 1.931 4.581 633 618 A 21 ASN HD2y A 25 ARG HDy 1.0 1.600 6.000 634 619 A 36 ARG H A 41 CYS HBy 1.0 1.901 4.313 635 620 A 26 ASN HD2x A 22 LYS HBy 1.0 1.867 4.069 636 621 A 4 GLU HA A 44 THR H 1.0 1.600 6.000 637 622 A 15 ILE HG1y A 36 ARG H 1.0 1.919 4.467 638 623 A 43 CYS HBx A 34 ARG H 1.0 1.932 4.588 639 624 A 7 SER HA A 7 SER HBy 1.0 1.895 4.271 640 625 A 25 ARG H A 22 LYS HA 1.0 1.928 4.552 641 626 A 45 ASN H A 2 THR HB 1.0 1.881 4.167 642 626 A 45 ASN H A 44 THR HB 1.0 1.881 4.167 643 627 A 45 ASN HA A 45 ASN HBy 1.0 1.828 3.824 644 627 A 39 PHE HBx A 39 PHE HA 1.0 1.828 3.824 645 628 A 45 ASN HA A 33 GLY H 1.0 1.600 6.000 646 628 A 42 TRP H A 36 ARG HA 1.0 1.600 6.000 647 629 A 44 THR H A 30 LEU HDx% 1.0 1.930 4.572 648 629 A 37 ASP H A 15 ILE HG2% 1.0 1.930 4.572 649 630 A 26 ASN H A 27 ASN HA 1.0 1.878 4.148 650 630 A 26 ASN H A 29 HIS HA 1.0 1.878 4.148 651 631 A 35 CYS HA A 35 CYS H 1.0 1.823 3.799 652 631 A 34 ARG H A 33 GLY HAy 1.0 1.823 3.799 653 632 A 40 ARG HA A 36 ARG H 1.0 1.600 6.000 654 632 A 37 ASP HA A 36 ARG H 1.0 1.600 6.000 655 633 A 2 THR H A 1 LYS HGx 1.0 1.772 3.530 656 633 A 2 THR H A 1 LYS HGy 1.0 1.772 3.530 657 634 A 32 SER H A 31 LEU H 1.0 1.683 3.129 658 634 A 31 LEU H A 45 ASN HD2y 1.0 1.683 3.129 659 635 A 27 ASN HD2y A 28 GLU HA 1.0 1.600 6.000 660 635 A 25 ARG HA A 27 ASN HD2y 1.0 1.600 6.000 661 636 A 22 LYS H A 22 LYS HBy 1.0 1.719 3.283 662 636 A 22 LYS H A 22 LYS HBx 1.0 1.719 3.283 663 637 A 32 SER H A 31 LEU HDx% 1.0 1.880 4.166 664 637 A 31 LEU HDx% A 45 ASN HD2y 1.0 1.880 4.166 665 638 A 45 ASN HD2y A 28 GLU HGx 1.0 1.600 6.000 666 638 A 45 ASN HD2y A 28 GLU HGy 1.0 1.600 6.000 667 639 A 42 TRP HZ3 A 11 LYS HDx 1.0 1.922 4.498 668 639 A 4 GLU HGy A 42 TRP HZ3 1.0 1.922 4.498 669 640 A 28 GLU H A 28 GLU HGy 1.0 1.600 6.000 670 640 A 28 GLU H A 28 GLU HGx 1.0 1.600 6.000 671 641 A 28 GLU H A 29 HIS HBy 1.0 1.931 4.587 672 641 A 28 GLU H A 29 HIS HBx 1.0 1.931 4.587 673 642 A 39 PHE HBy A 39 PHE HDy 1.0 1.627 2.921 674 642 A 39 PHE HBy A 39 PHE HDx 1.0 1.627 2.921 675 642 A 42 TRP HE3 A 42 TRP HBy 1.0 1.627 2.921 676 643 A 42 TRP HE3 A 1 LYS HEx 1.0 1.600 6.000 677 643 A 42 TRP HE3 A 1 LYS HEy 1.0 1.600 6.000 678 643 A 39 PHE HDy A 14 CYS HBx 1.0 1.600 6.000 679 643 A 39 PHE HDx A 14 CYS HBx 1.0 1.600 6.000 680 644 A 42 TRP HE3 A 11 LYS HDx 1.0 1.600 6.000 681 644 A 42 TRP HE3 A 34 ARG HBy 1.0 1.600 6.000 682 645 A 39 PHE HDy A 36 ARG HGy 1.0 1.904 4.348 683 645 A 39 PHE HDx A 36 ARG HGy 1.0 1.904 4.348 684 645 A 39 PHE HDy A 36 ARG HBy 1.0 1.904 4.348 685 645 A 39 PHE HDx A 36 ARG HBy 1.0 1.904 4.348 686 646 A 19 ASN H A 19 ASN HA 1.0 1.828 3.828 687 646 A 19 ASN H A 18 GLY HAx 1.0 1.828 3.828 688 647 A 21 ASN HD2y A 35 CYS H 1.0 1.965 4.971 689 647 A 34 ARG H A 21 ASN HD2y 1.0 1.965 4.971 690 648 A 33 GLY H A 43 CYS HA 1.0 1.613 2.869 691 648 A 44 THR H A 43 CYS HA 1.0 1.613 2.869 692 649 A 2 THR HA A 3 CYS H 1.0 1.481 2.443 693 649 A 33 GLY H A 33 GLY HAx 1.0 1.481 2.443 694 650 A 45 ASN HA A 45 ASN HBy 1.0 1.846 3.938 695 650 A 3 CYS HBy A 3 CYS HA 1.0 1.846 3.938 696 651 A 3 CYS HA A 3 CYS HBx 1.0 1.736 3.360 697 651 A 39 PHE HBy A 39 PHE HA 1.0 1.736 3.360 698 652 A 36 ARG HA A 36 ARG HGy 1.0 1.699 3.199 699 652 A 36 ARG HA A 36 ARG HBy 1.0 1.699 3.199 700 653 A 45 ASN HA A 30 LEU HDx% 1.0 1.794 3.638 701 653 A 45 ASN HA A 30 LEU HDy% 1.0 1.794 3.638 702 654 A 6 LEU HDy% A 41 CYS HBy 1.0 1.600 6.000 703 654 A 6 LEU HDy% A 34 ARG HBx 1.0 1.600 6.000 704 655 A 6 LEU HG A 41 CYS HBy 1.0 1.600 6.000 705 655 A 6 LEU HG A 34 ARG HBx 1.0 1.600 6.000 706 656 A 33 GLY H A 30 LEU HDx% 1.0 1.910 4.392 707 656 A 44 THR H A 30 LEU HDx% 1.0 1.910 4.392 708 657 A 33 GLY H A 30 LEU HDy% 1.0 1.600 6.000 709 657 A 44 THR H A 30 LEU HDy% 1.0 1.600 6.000 710 658 A 47 CYS HBy A 3 CYS HBy 1.0 1.899 4.299 711 658 A 36 ARG HGx A 20 CYS HBy 1.0 1.899 4.299 712 659 A 30 LEU HBx A 45 ASN HD2y 1.0 1.824 3.804 713 659 A 32 SER H A 30 LEU HBx 1.0 1.824 3.804 714 660 A 34 ARG HGy A 34 ARG HDx 1.0 1.770 3.516 715 660 A 34 ARG HBx A 34 ARG HDx 1.0 1.770 3.516 716 661 A 22 LYS HA A 25 ARG HGx 1.0 1.788 3.606 717 661 A 25 ARG HGx A 21 ASN HA 1.0 1.788 3.606 718 661 A 22 LYS HA A 25 ARG HGy 1.0 1.788 3.606 719 661 A 22 LYS HA A 22 LYS HGy 1.0 1.788 3.606 720 662 A 32 SER HA A 25 ARG HGx 1.0 1.600 6.000 721 662 A 32 SER HA A 25 ARG HGy 1.0 1.600 6.000 722 663 A 11 LYS HBy A 11 LYS HGy 1.0 1.761 3.475 723 663 A 11 LYS HBy A 11 LYS HGx 1.0 1.761 3.475 724 664 A 25 ARG HBx A 25 ARG HGy 1.0 1.532 2.600 725 664 A 25 ARG HBx A 25 ARG HGx 1.0 1.532 2.600 726 665 A 22 LYS HGy A 22 LYS HBx 1.0 1.583 2.765 727 665 A 1 LYS HBy A 1 LYS HGy 1.0 1.583 2.765 728 665 A 22 LYS HGy A 22 LYS HBy 1.0 1.583 2.765 729 665 A 1 LYS HBx A 1 LYS HGy 1.0 1.583 2.765 730 665 A 1 LYS HBx A 1 LYS HGx 1.0 1.583 2.765 731 666 A 1 LYS HGy A 1 LYS HDx 1.0 1.454 2.366 732 666 A 1 LYS HDy A 1 LYS HGy 1.0 1.454 2.366 733 666 A 1 LYS HGx A 1 LYS HDx 1.0 1.454 2.366 734 666 A 22 LYS HGy A 22 LYS HDx 1.0 1.454 2.366 735 666 A 22 LYS HGy A 22 LYS HDy 1.0 1.454 2.366 736 667 A 1 LYS HGx A 1 LYS HEx 1.0 1.678 3.110 737 667 A 25 ARG HGx A 25 ARG HDy 1.0 1.678 3.110 738 667 A 22 LYS HGy A 19 ASN HBy 1.0 1.678 3.110 739 667 A 22 LYS HGy A 22 LYS HEx 1.0 1.678 3.110 740 668 A 25 ARG HDx A 25 ARG HGy 1.0 1.695 3.181 741 668 A 25 ARG HGx A 25 ARG HDx 1.0 1.695 3.181 742 669 A 22 LYS HA A 22 LYS HGx 1.0 1.904 4.338 743 669 A 32 SER HBy A 31 LEU HBx 1.0 1.904 4.338 744 670 A 10 PHE HBx A 11 LYS HBx 1.0 1.902 4.328 745 670 A 5 ASN HBx A 11 LYS HBx 1.0 1.902 4.328 746 671 A 22 LYS HGx A 22 LYS HDy 1.0 1.424 2.282 747 671 A 22 LYS HGx A 22 LYS HDx 1.0 1.424 2.282 748 672 A 22 LYS HGx A 22 LYS HBx 1.0 1.571 2.725 749 672 A 22 LYS HGx A 22 LYS HBy 1.0 1.571 2.725 750 673 A 31 LEU HBx A 1 LYS HBx 1.0 1.600 6.000 751 673 A 1 LYS HBy A 31 LEU HBx 1.0 1.600 6.000 752 674 A 22 LYS HGx A 22 LYS HGy 1.0 1.452 2.362 753 674 A 31 LEU HBx A 31 LEU HBy 1.0 1.452 2.362 754 675 A 34 ARG H A 34 ARG HBx 1.0 1.852 3.972 755 675 A 34 ARG H A 34 ARG HGy 1.0 1.852 3.972 756 676 A 22 LYS HGy A 22 LYS HDy 1.0 1.467 2.403 757 676 A 22 LYS HGy A 22 LYS HDx 1.0 1.467 2.403 758 677 A 22 LYS HDx A 22 LYS HBx 1.0 1.630 2.930 759 677 A 22 LYS HBx A 22 LYS HDy 1.0 1.630 2.930 760 678 A 22 LYS HDy A 22 LYS HEy 1.0 1.673 3.091 761 678 A 22 LYS HDx A 19 ASN HBy 1.0 1.673 3.091 762 678 A 22 LYS HDx A 22 LYS HEy 1.0 1.673 3.091 763 678 A 22 LYS HEx A 22 LYS HDx 1.0 1.673 3.091 764 679 A 30 LEU HG A 30 LEU HDx% 1.0 1.560 2.686 765 679 A 30 LEU HDy% A 30 LEU HG 1.0 1.560 2.686 766 680 A 46 ARG HA A 46 ARG HBx 1.0 1.789 3.615 767 680 A 13 PRO HBx A 13 PRO HA 1.0 1.789 3.615 768 681 A 30 LEU HDx% A 28 GLU HGx 1.0 1.874 4.124 769 681 A 30 LEU HDx% A 28 GLU HGy 1.0 1.874 4.124 770 682 A 1 LYS HBy A 1 LYS HGy 1.0 1.626 2.916 771 682 A 1 LYS HBx A 1 LYS HGy 1.0 1.626 2.916 772 683 A 1 LYS HBy A 1 LYS HDy 1.0 1.628 2.922 773 683 A 1 LYS HBy A 1 LYS HDx 1.0 1.628 2.922 774 683 A 1 LYS HBx A 1 LYS HDy 1.0 1.628 2.922 775 684 A 28 GLU HBy A 28 GLU HGx 1.0 1.692 3.168 776 684 A 28 GLU HBy A 28 GLU HGy 1.0 1.692 3.168 777 685 A 28 GLU HBx A 28 GLU HGx 1.0 1.686 3.142 778 685 A 13 PRO HBy A 13 PRO HGx 1.0 1.686 3.142 779 686 A 13 PRO HBy A 13 PRO HGy 1.0 1.648 2.994 780 686 A 4 GLU HGy A 4 GLU HBy 1.0 1.648 2.994 781 687 A 1 LYS HBx A 1 LYS HEx 1.0 1.905 4.347 782 687 A 1 LYS HBy A 1 LYS HEy 1.0 1.905 4.347 783 687 A 1 LYS HBy A 1 LYS HEx 1.0 1.905 4.347 784 688 A 13 PRO HGx A 13 PRO HDx 1.0 1.903 4.331 785 688 A 13 PRO HDy A 13 PRO HGx 1.0 1.903 4.331 786 689 A 12 GLY HAx A 13 PRO HGx 1.0 1.898 4.294 787 689 A 24 CYS HA A 28 GLU HGx 1.0 1.898 4.294 788 689 A 24 CYS HA A 28 GLU HGy 1.0 1.898 4.294 789 690 A 28 GLU H A 28 GLU HGy 1.0 1.849 3.949 790 690 A 26 ASN HD2x A 22 LYS HBx 1.0 1.849 3.949 791 690 A 28 GLU H A 28 GLU HGx 1.0 1.849 3.949 792 691 A 4 GLU H A 1 LYS HBx 1.0 1.600 6.000 793 691 A 4 GLU H A 1 LYS HBy 1.0 1.600 6.000 794 692 A 12 GLY H A 11 LYS HDx 1.0 1.600 6.000 795 692 A 12 GLY H A 13 PRO HGx 1.0 1.600 6.000 796 693 A 19 ASN H A 16 PRO HBx 1.0 1.600 6.000 797 693 A 19 ASN H A 15 ILE HB 1.0 1.600 6.000 798 693 A 19 ASN H A 22 LYS HBx 1.0 1.600 6.000 799 694 A 30 LEU HDx% A 28 GLU HBx 1.0 1.764 3.488 800 694 A 30 LEU HDy% A 28 GLU HBx 1.0 1.764 3.488 801 695 A 36 ARG HBx A 15 ILE HG2% 1.0 1.600 6.000 802 695 A 4 GLU HGx A 30 LEU HDx% 1.0 1.600 6.000 803 696 A 13 PRO HBy A 37 ASP HBx 1.0 1.763 3.483 804 696 A 13 PRO HBy A 37 ASP HBy 1.0 1.763 3.483 805 697 A 24 CYS HA A 28 GLU HBx 1.0 1.822 3.792 806 697 A 24 CYS HA A 28 GLU HBy 1.0 1.822 3.792 807 698 A 24 CYS H A 24 CYS HBy 1.0 1.824 3.800 808 698 A 24 CYS H A 24 CYS HBx 1.0 1.824 3.800 809 699 A 21 ASN HBx A 24 CYS HBy 1.0 1.600 6.000 810 699 A 24 CYS HBx A 21 ASN HBx 1.0 1.600 6.000 811 699 A 24 CYS HBx A 34 ARG HDx 1.0 1.600 6.000 812 700 A 45 ASN HBy A 45 ASN HBx 1.0 1.400 2.218 813 700 A 3 CYS HBy A 3 CYS HBx 1.0 1.400 2.218 814 701 A 38 ASP HBy A 38 ASP HA 1.0 1.613 2.869 815 701 A 38 ASP HBx A 38 ASP HA 1.0 1.613 2.869 816 702 A 24 CYS HBx A 21 ASN HA 1.0 1.856 3.998 817 702 A 21 ASN HA A 20 CYS HBx 1.0 1.856 3.998 818 703 A 38 ASP HBy A 18 GLY HAx 1.0 1.600 6.000 819 703 A 38 ASP HBx A 18 GLY HAx 1.0 1.600 6.000 820 704 A 39 PHE H A 38 ASP HBx 1.0 1.841 3.901 821 704 A 39 PHE H A 38 ASP HBy 1.0 1.841 3.901 822 705 A 11 LYS HDx A 10 PHE HBx 1.0 1.886 4.206 823 705 A 34 ARG HBy A 20 CYS HBy 1.0 1.886 4.206 824 705 A 5 ASN HBx A 11 LYS HDx 1.0 1.886 4.206 825 705 A 45 ASN HBy A 28 GLU HGy 1.0 1.886 4.206 826 706 A 26 ASN HBy A 26 ASN HD2y 1.0 1.771 3.521 827 706 A 45 ASN HD2y A 45 ASN HBy 1.0 1.771 3.521 828 707 A 39 PHE HBy A 36 ARG HBx 1.0 1.879 4.151 829 707 A 4 GLU HGx A 42 TRP HBy 1.0 1.879 4.151 830 708 A 46 ARG HGx A 46 ARG HDy 1.0 1.779 3.559 831 708 A 22 LYS HGx A 22 LYS HEx 1.0 1.779 3.559 832 709 A 22 LYS HDx A 22 LYS HEy 1.0 1.605 2.843 833 709 A 22 LYS HDy A 22 LYS HEy 1.0 1.605 2.843 834 709 A 22 LYS HEx A 22 LYS HDx 1.0 1.605 2.843 835 710 A 1 LYS HGx A 1 LYS HEx 1.0 1.673 3.089 836 710 A 1 LYS HGy A 1 LYS HEx 1.0 1.673 3.089 837 710 A 22 LYS HGy A 22 LYS HEx 1.0 1.673 3.089 838 710 A 1 LYS HGx A 1 LYS HEy 1.0 1.673 3.089 839 711 A 21 ASN HBx A 22 LYS HEx 1.0 1.913 4.417 840 711 A 21 ASN HBx A 25 ARG HDy 1.0 1.913 4.417 841 711 A 43 CYS HBx A 34 ARG HDx 1.0 1.913 4.417 842 711 A 42 TRP HBx A 34 ARG HDx 1.0 1.913 4.417 843 712 A 44 THR H A 43 CYS HBy 1.0 1.817 3.765 844 712 A 33 GLY H A 43 CYS HBy 1.0 1.817 3.765 845 713 A 24 CYS HBx A 43 CYS HBy 1.0 1.600 6.000 846 713 A 43 CYS HBy A 24 CYS HBy 1.0 1.600 6.000 847 714 A 34 ARG HBx A 34 ARG HDy 1.0 1.750 3.424 848 714 A 34 ARG HGy A 34 ARG HDy 1.0 1.750 3.424 849 715 A 30 LEU HDy% A 25 ARG HDx 1.0 1.600 6.000 850 715 A 30 LEU HDx% A 25 ARG HDx 1.0 1.600 6.000 851 716 A 28 GLU HGy A 29 HIS HBy 1.0 1.600 6.000 852 716 A 34 ARG HBy A 7 SER HBy 1.0 1.600 6.000 853 717 A 28 GLU HA A 29 HIS HBx 1.0 1.600 6.000 854 717 A 25 ARG HA A 29 HIS HBx 1.0 1.600 6.000 855 718 A 40 ARG HA A 7 SER HBy 1.0 1.600 6.000 856 718 A 37 ASP HA A 7 SER HBy 1.0 1.600 6.000 857 719 A 15 ILE HB A 16 PRO HDx 1.0 1.810 3.726 858 719 A 16 PRO HDx A 16 PRO HGx 1.0 1.810 3.726 859 720 A 22 LYS HA A 22 LYS HBx 1.0 1.625 2.911 860 720 A 22 LYS HA A 22 LYS HBy 1.0 1.625 2.911 861 721 A 22 LYS HA A 25 ARG HGy 1.0 1.760 3.470 862 721 A 22 LYS HA A 22 LYS HGy 1.0 1.760 3.470 863 722 A 7 SER HBx A 11 LYS HDx 1.0 1.824 3.802 864 722 A 7 SER HBx A 13 PRO HBy 1.0 1.824 3.802 865 722 A 8 GLY HAx A 13 PRO HBy 1.0 1.824 3.802 866 723 A 24 CYS HA A 26 ASN H 1.0 1.844 3.924 867 723 A 34 ARG H A 32 SER HBx 1.0 1.844 3.924 868 724 A 1 LYS HA A 1 LYS HGy 1.0 1.709 3.239 869 724 A 1 LYS HA A 1 LYS HGx 1.0 1.709 3.239 870 725 A 1 LYS HA A 1 LYS HBy 1.0 1.721 3.295 871 725 A 1 LYS HA A 1 LYS HBx 1.0 1.721 3.295 872 726 A 27 ASN H A 28 GLU HA 1.0 1.600 6.000 873 726 A 25 ARG HA A 27 ASN H 1.0 1.600 6.000 874 727 A 24 CYS HA A 25 ARG HA 1.0 1.600 6.000 875 727 A 24 CYS HA A 28 GLU HA 1.0 1.600 6.000 876 728 A 28 GLU HA A 28 GLU HGx 1.0 1.686 3.144 877 728 A 28 GLU HGy A 28 GLU HA 1.0 1.686 3.144 878 729 A 5 ASN H A 3 CYS HA 1.0 1.600 6.000 879 729 A 45 ASN HA A 44 THR H 1.0 1.600 6.000 880 730 A 38 ASP HBx A 38 ASP H 1.0 1.795 3.641 881 730 A 38 ASP HBy A 38 ASP H 1.0 1.795 3.641 882 731 A 34 ARG HBx A 36 ARG H 1.0 1.600 6.000 883 731 A 34 ARG HGy A 36 ARG H 1.0 1.600 6.000 884 732 A 45 ASN HD2x A 28 GLU HGx 1.0 1.923 4.513 885 732 A 45 ASN HD2x A 28 GLU HGy 1.0 1.923 4.513 886 733 A 10 PHE H A 11 LYS HDx 1.0 1.600 6.000 887 733 A 27 ASN HD2y A 24 CYS HBy 1.0 1.600 6.000 888 733 A 24 CYS HBx A 27 ASN HD2y 1.0 1.600 6.000 889 734 A 22 LYS HA A 22 LYS HDx 1.0 1.910 4.394 890 734 A 22 LYS HA A 22 LYS HDy 1.0 1.910 4.394 891 735 A 38 ASP H A 37 ASP HBx 1.0 1.779 3.561 892 735 A 38 ASP H A 37 ASP HBy 1.0 1.779 3.561 893 736 A 35 CYS HBx A 41 CYS HBx 1.0 1.897 4.293 894 736 A 34 ARG HBy A 7 SER HBy 1.0 1.897 4.293 895 736 A 28 GLU HGy A 29 HIS HBy 1.0 1.897 4.293 896 736 A 29 HIS HBy A 28 GLU HGx 1.0 1.897 4.293 897 736 A 29 HIS HBx A 28 GLU HGx 1.0 1.897 4.293 898 736 A 34 ARG HBy A 35 CYS HBx 1.0 1.897 4.293 899 736 A 28 GLU HGy A 29 HIS HBx 1.0 1.897 4.293 900 737 A 36 ARG HDy A 36 ARG HBy 1.0 1.820 3.778 901 737 A 36 ARG HDy A 36 ARG HGy 1.0 1.820 3.778 902 738 A 31 LEU HG A 25 ARG HDx 1.0 1.600 6.000 903 738 A 43 CYS HBy A 31 LEU HG 1.0 1.600 6.000 904 739 A 9 THR H A 14 CYS HBy 1.0 1.600 6.000 905 739 A 25 ARG H A 14 CYS HBy 1.0 1.600 6.000 906 739 A 10 PHE H A 14 CYS HBy 1.0 1.600 6.000 907 739 A 27 ASN HD2y A 14 CYS HBy 1.0 1.600 6.000 908 739 A 21 ASN HD2x A 36 ARG HDx 1.0 1.600 6.000 909 739 A 21 ASN HD2x A 14 CYS HBy 1.0 1.600 6.000 910 739 A 11 LYS H A 14 CYS HBy 1.0 1.600 6.000 911 740 A 29 HIS H A 33 GLY HAy 1.0 1.600 6.000 912 740 A 20 CYS H A 33 GLY HAy 1.0 1.600 6.000 913 741 A 38 ASP HBy A 37 ASP HA 1.0 1.929 4.569 914 741 A 40 ARG HA A 20 CYS HBx 1.0 1.929 4.569 915 741 A 37 ASP HA A 38 ASP HBx 1.0 1.929 4.569 916 741 A 24 CYS HBx A 29 HIS HA 1.0 1.929 4.569 917 742 A 21 ASN H A 36 ARG H 1.0 1.600 6.000 918 742 A 36 ARG H A 18 GLY H 1.0 1.600 6.000 919 743 A 26 ASN HD2x A 22 LYS HBy 1.0 1.917 4.455 920 743 A 28 GLU H A 28 GLU HGy 1.0 1.917 4.455 921 743 A 26 ASN HD2x A 22 LYS HBx 1.0 1.917 4.455 922 743 A 45 ASN HD2x A 28 GLU HGy 1.0 1.917 4.455 923 743 A 29 HIS H A 28 GLU HGy 1.0 1.917 4.455 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 24 CYS H A 20 CYS O 1.0 1.8 2.3 2 2 A 20 CYS O A 24 CYS N 1.0 2.8 3.3 3 3 A 25 ARG H A 21 ASN O 1.0 1.8 2.3 4 4 A 21 ASN O A 25 ARG N 1.0 2.8 3.3 5 5 A 26 ASN H A 22 LYS O 1.0 1.8 2.3 6 6 A 22 LYS O A 26 ASN N 1.0 2.8 3.3 7 7 A 27 ASN H A 23 HIS O 1.0 1.8 2.3 8 8 A 23 HIS O A 27 ASN N 1.0 2.8 3.3 9 9 A 3 CYS H A 45 ASN O 1.0 1.8 2.3 10 10 A 45 ASN O A 3 CYS N 1.0 2.8 3.3 11 11 A 45 ASN H A 3 CYS O 1.0 1.8 2.3 12 12 A 3 CYS O A 45 ASN N 1.0 2.8 3.3 13 13 A 43 CYS H A 5 ASN O 1.0 1.8 2.3 14 14 A 5 ASN O A 43 CYS N 1.0 2.8 3.3 15 15 A 5 ASN H A 43 CYS O 1.0 1.8 2.3 16 16 A 43 CYS O A 5 ASN N 1.0 2.8 3.3 17 17 A 7 SER H A 41 CYS O 1.0 1.8 2.3 18 18 A 41 CYS O A 7 SER N 1.0 2.8 3.3 19 19 A 32 SER H A 44 THR O 1.0 1.8 2.3 20 20 A 44 THR O A 32 SER N 1.0 2.8 3.3 21 21 A 34 ARG H A 42 TRP O 1.0 1.8 2.3 22 22 A 42 TRP O A 34 ARG N 1.0 2.8 3.3 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _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 LYS C A 2 THR N A 2 THR CA A 2 THR C 1.0 -151.10 -103.74 PHI 2 2 A 2 THR N A 2 THR CA A 2 THR C A 3 CYS N 1.0 131.83 171.83 PSI 3 3 A 2 THR C A 3 CYS N A 3 CYS CA A 3 CYS C 1.0 -89.17 -49.17 PHI 4 4 A 3 CYS N A 3 CYS CA A 3 CYS C A 4 GLU N 1.0 114.80 158.40 PSI 5 5 A 3 CYS C A 4 GLU N A 4 GLU CA A 4 GLU C 1.0 -159.22 -108.34 PHI 6 6 A 4 GLU N A 4 GLU CA A 4 GLU C A 5 ASN N 1.0 125.83 189.89 PSI 7 7 A 4 GLU C A 5 ASN N A 5 ASN CA A 5 ASN C 1.0 -170.16 -117.98 PHI 8 8 A 5 ASN N A 5 ASN CA A 5 ASN C A 6 LEU N 1.0 131.34 173.22 PSI 9 9 A 5 ASN C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -89.59 -49.59 PHI 10 10 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 SER N 1.0 112.47 152.47 PSI 11 11 A 6 LEU C A 7 SER N A 7 SER CA A 7 SER C 1.0 -97.39 -37.09 PHI 12 12 A 7 SER N A 7 SER CA A 7 SER C A 8 GLY N 1.0 94.30 175.38 PSI 13 13 A 9 THR C A 10 PHE N A 10 PHE CA A 10 PHE C 1.0 -87.27 -47.27 PHI 14 14 A 10 PHE N A 10 PHE CA A 10 PHE C A 11 LYS N 1.0 109.78 149.78 PSI 15 15 A 16 PRO C A 17 ASP N A 17 ASP CA A 17 ASP C 1.0 -114.91 -74.91 PHI 16 16 A 17 ASP N A 17 ASP CA A 17 ASP C A 18 GLY N 1.0 -19.74 20.26 PSI 17 17 A 17 ASP C A 18 GLY N A 18 GLY CA A 18 GLY C 1.0 58.85 105.21 PHI 18 18 A 18 GLY N A 18 GLY CA A 18 GLY C A 19 ASN N 1.0 -6.87 34.23 PSI 19 19 A 20 CYS C A 21 ASN N A 21 ASN CA A 21 ASN C 1.0 -80.77 -40.77 PHI 20 20 A 21 ASN N A 21 ASN CA A 21 ASN C A 22 LYS N 1.0 -64.85 -24.85 PSI 21 21 A 21 ASN C A 22 LYS N A 22 LYS CA A 22 LYS C 1.0 -84.20 -44.20 PHI 22 22 A 22 LYS N A 22 LYS CA A 22 LYS C A 23 HIS N 1.0 -62.64 -22.64 PSI 23 23 A 22 LYS C A 23 HIS N A 23 HIS CA A 23 HIS C 1.0 -84.08 -44.08 PHI 24 24 A 23 HIS N A 23 HIS CA A 23 HIS C A 24 CYS N 1.0 -64.56 -24.56 PSI 25 25 A 23 HIS C A 24 CYS N A 24 CYS CA A 24 CYS C 1.0 -85.02 -45.02 PHI 26 26 A 24 CYS N A 24 CYS CA A 24 CYS C A 25 ARG N 1.0 -58.96 -18.96 PSI 27 27 A 24 CYS C A 25 ARG N A 25 ARG CA A 25 ARG C 1.0 -86.22 -46.22 PHI 28 28 A 25 ARG N A 25 ARG CA A 25 ARG C A 26 ASN N 1.0 -59.90 -15.72 PSI 29 29 A 25 ARG C A 26 ASN N A 26 ASN CA A 26 ASN C 1.0 -87.93 -47.93 PHI 30 30 A 26 ASN N A 26 ASN CA A 26 ASN C A 27 ASN N 1.0 -59.56 -19.56 PSI 31 31 A 26 ASN C A 27 ASN N A 27 ASN CA A 27 ASN C 1.0 -85.91 -45.91 PHI 32 32 A 27 ASN N A 27 ASN CA A 27 ASN C A 28 GLU N 1.0 -51.84 -11.84 PSI 33 33 A 27 ASN C A 28 GLU N A 28 GLU CA A 28 GLU C 1.0 -112.33 -72.33 PHI 34 34 A 28 GLU N A 28 GLU CA A 28 GLU C A 29 HIS N 1.0 -18.62 21.38 PSI 35 35 A 28 GLU C A 29 HIS N A 29 HIS CA A 29 HIS C 1.0 37.17 77.17 PHI 36 36 A 29 HIS N A 29 HIS CA A 29 HIS C A 30 LEU N 1.0 21.06 61.06 PSI 37 37 A 30 LEU C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -86.50 -46.50 PHI 38 38 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 SER N 1.0 -48.04 -8.04 PSI 39 39 A 31 LEU C A 32 SER N A 32 SER CA A 32 SER C 1.0 -108.95 -68.21 PHI 40 40 A 32 SER N A 32 SER CA A 32 SER C A 33 GLY N 1.0 -20.81 19.19 PSI 41 41 A 32 SER C A 33 GLY N A 33 GLY CA A 33 GLY C 1.0 59.55 100.77 PHI 42 42 A 33 GLY N A 33 GLY CA A 33 GLY C A 34 ARG N 1.0 -3.80 37.70 PSI 43 43 A 34 ARG C A 35 CYS N A 35 CYS CA A 35 CYS C 1.0 -90.75 -50.75 PHI 44 44 A 35 CYS N A 35 CYS CA A 35 CYS C A 36 ARG N 1.0 110.37 150.37 PSI 45 45 A 35 CYS C A 36 ARG N A 36 ARG CA A 36 ARG C 1.0 -174.16 -80.12 PHI 46 46 A 36 ARG N A 36 ARG CA A 36 ARG C A 37 ASP N 1.0 133.54 180.04 PSI 47 47 A 38 ASP C A 39 PHE N A 39 PHE CA A 39 PHE C 1.0 -139.63 -82.31 PHI 48 48 A 39 PHE N A 39 PHE CA A 39 PHE C A 40 ARG N 1.0 111.96 161.68 PSI 49 49 A 39 PHE C A 40 ARG N A 40 ARG CA A 40 ARG C 1.0 -157.32 -117.32 PHI 50 50 A 40 ARG N A 40 ARG CA A 40 ARG C A 41 CYS N 1.0 129.14 169.14 PSI 51 51 A 40 ARG C A 41 CYS N A 41 CYS CA A 41 CYS C 1.0 -122.20 -64.60 PHI 52 52 A 41 CYS N A 41 CYS CA A 41 CYS C A 42 TRP N 1.0 105.49 145.49 PSI 53 53 A 41 CYS C A 42 TRP N A 42 TRP CA A 42 TRP C 1.0 -132.07 -75.71 PHI 54 54 A 42 TRP N A 42 TRP CA A 42 TRP C A 43 CYS N 1.0 97.92 154.58 PSI 55 55 A 42 TRP C A 43 CYS N A 43 CYS CA A 43 CYS C 1.0 -127.23 -85.03 PHI 56 56 A 43 CYS N A 43 CYS CA A 43 CYS C A 44 THR N 1.0 89.90 149.42 PSI 57 57 A 45 ASN C A 46 ARG N A 46 ARG CA A 46 ARG C 1.0 -144.91 -86.19 PHI 58 58 A 46 ARG N A 46 ARG CA A 46 ARG C A 47 CYS N 1.0 118.32 166.92 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 12 . . . . 2 ppm . . 80 . . . . 3 ppm . . 40 . . . . stop_ save_