data_nef_c17638_2lcy save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 17639 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 5 CYS SG 1 50 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 507 ALA start . . 2 A 508 GLN middle . . 3 A 509 PRO middle . false 4 A 510 LYS middle . . 5 A 511 CYS middle -HG . 6 A 512 ASN middle . . 7 A 513 PRO middle . false 8 A 514 ASN middle . . 9 A 515 LEU middle . . 10 A 516 HIS middle . . 11 A 517 TYR middle . . 12 A 518 TRP middle . . 13 A 519 THR middle . . 14 A 520 THR middle . . 15 A 521 GLN middle . . 16 A 522 ASP middle . . 17 A 523 GLU middle . . 18 A 524 GLY middle . false 19 A 525 ALA middle . . 20 A 526 ALA middle . . 21 A 527 ILE middle . . 22 A 528 GLY middle . false 23 A 529 LEU middle . . 24 A 530 ALA middle . . 25 A 531 TRP middle . . 26 A 532 ILE middle . . 27 A 533 PRO middle . false 28 A 534 TYR middle . . 29 A 535 PHE middle . . 30 A 536 GLY middle . false 31 A 537 PRO middle . false 32 A 538 ALA middle . . 33 A 539 ALA middle . . 34 A 540 GLU middle . . 35 A 541 GLY middle . false 36 A 542 ILE middle . . 37 A 543 TYR middle . . 38 A 544 ILE middle . . 39 A 545 GLU middle . . 40 A 546 GLY middle . false 41 A 547 LEU middle . . 42 A 548 MET middle . . 43 A 549 HIS middle . . 44 A 550 ASN middle . . 45 A 551 GLN middle . . 46 A 552 ASP middle . . 47 A 553 GLY middle . false 48 A 554 LEU middle . . 49 A 555 ILE middle . . 50 A 556 CYS middle -HG . 51 A 557 GLY middle . false 52 A 558 LEU middle . . 53 A 559 ARG middle . . 54 A 560 GLN 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 507 ALA HA H 1 4.101 0.004 A 507 ALA HB% H 1 1.497 0.008 A 507 ALA CA C 13 51.725 0.034 A 507 ALA CB C 13 19.791 0.322 A 508 GLN H H 1 8.653 0.044 A 508 GLN HA H 1 4.647 0.016 A 508 GLN HBx H 1 1.947 0.000 A 508 GLN HBy H 1 1.956 0.003 A 508 GLN HE2y H 1 7.550 0.000 A 508 GLN HE2x H 1 6.866 0.000 A 508 GLN HGx H 1 2.393 0.001 A 508 GLN HGy H 1 2.393 0.001 A 508 GLN CA C 13 53.784 0.079 A 508 GLN CB C 13 29.282 0.000 A 508 GLN CG C 13 33.576 0.152 A 508 GLN N N 15 121.072 0.370 A 509 PRO HA H 1 4.418 0.006 A 509 PRO HBy H 1 2.269 0.009 A 509 PRO HBx H 1 1.930 0.008 A 509 PRO HDy H 1 3.770 0.047 A 509 PRO HDx H 1 3.651 0.013 A 509 PRO HGx H 1 1.940 0.018 A 509 PRO HGy H 1 1.940 0.018 A 509 PRO CA C 13 63.134 0.126 A 509 PRO CB C 13 32.527 0.739 A 509 PRO CD C 13 50.688 0.031 A 510 LYS H H 1 8.411 0.032 A 510 LYS HA H 1 4.294 0.015 A 510 LYS HBy H 1 1.736 0.005 A 510 LYS HBx H 1 1.729 0.012 A 510 LYS HDx H 1 1.667 0.004 A 510 LYS HDy H 1 1.667 0.004 A 510 LYS HEx H 1 2.977 0.003 A 510 LYS HEy H 1 2.977 0.003 A 510 LYS HGx H 1 1.444 0.012 A 510 LYS HGy H 1 1.444 0.012 A 510 LYS CA C 13 56.191 0.101 A 510 LYS CB C 13 33.280 0.079 A 510 LYS CD C 13 29.036 0.062 A 510 LYS CG C 13 24.851 0.025 A 510 LYS N N 15 121.601 0.318 A 511 CYS H H 1 8.354 0.035 A 511 CYS HA H 1 4.656 0.041 A 511 CYS HBy H 1 3.074 0.000 A 511 CYS HBx H 1 2.958 0.000 A 511 CYS CA C 13 55.144 0.110 A 511 CYS CB C 13 41.908 0.112 A 511 CYS N N 15 119.748 0.350 A 512 ASN H H 1 8.692 0.036 A 512 ASN HA H 1 4.981 0.011 A 512 ASN HBy H 1 2.846 0.013 A 512 ASN HBx H 1 2.706 0.013 A 512 ASN CA C 13 51.028 0.153 A 512 ASN CB C 13 39.064 0.084 A 512 ASN N N 15 122.726 0.365 A 513 PRO HA H 1 4.378 0.006 A 513 PRO HBx H 1 2.179 0.006 A 513 PRO HDx H 1 3.784 0.012 A 513 PRO HDy H 1 3.784 0.012 A 513 PRO HGx H 1 1.977 0.106 A 513 PRO HGy H 1 1.977 0.106 A 513 PRO CA C 13 63.616 0.020 A 513 PRO CB C 13 32.060 0.148 A 513 PRO CD C 13 50.724 0.000 A 514 ASN H H 1 8.356 0.027 A 514 ASN HA H 1 4.631 0.036 A 514 ASN HBy H 1 2.745 0.011 A 514 ASN HBx H 1 2.682 0.010 A 514 ASN HD2y H 1 7.623 0.023 A 514 ASN HD2x H 1 6.943 0.014 A 514 ASN CA C 13 53.264 0.001 A 514 ASN CB C 13 38.940 0.086 A 514 ASN N N 15 117.652 0.283 A 515 LEU H H 1 7.845 0.032 A 515 LEU HA H 1 4.231 0.011 A 515 LEU HBx H 1 1.483 0.003 A 515 LEU HDx% H 1 0.817 0.013 A 515 LEU HDy% H 1 0.817 0.013 A 515 LEU CA C 13 55.180 0.003 A 515 LEU CB C 13 42.448 0.052 A 515 LEU N N 15 121.298 0.303 A 516 HIS H H 1 8.194 0.033 A 516 HIS HA H 1 4.544 0.003 A 516 HIS HBx H 1 2.946 0.013 A 516 HIS HD2 H 1 7.080 0.003 A 516 HIS HE1 H 1 8.464 0.000 A 516 HIS CA C 13 55.221 0.171 A 516 HIS CB C 13 29.246 0.030 A 516 HIS CD2 C 13 120.202 0.098 A 516 HIS CE1 C 13 136.505 0.000 A 516 HIS N N 15 117.846 0.324 A 517 TYR H H 1 8.193 0.040 A 517 TYR HA H 1 4.359 0.071 A 517 TYR HBx H 1 2.792 0.019 A 517 TYR HDx H 1 6.805 0.011 A 517 TYR HDy H 1 6.805 0.011 A 517 TYR HEx H 1 6.703 0.037 A 517 TYR HEy H 1 6.703 0.037 A 517 TYR CA C 13 59.137 0.072 A 517 TYR CB C 13 38.922 0.061 A 517 TYR CDy C 13 133.014 0.050 A 517 TYR CEy C 13 118.230 0.112 A 517 TYR N N 15 120.459 0.321 A 518 TRP H H 1 7.748 0.030 A 518 TRP HA H 1 4.637 0.036 A 518 TRP HBx H 1 3.235 0.013 A 518 TRP HD1 H 1 7.244 0.006 A 518 TRP HE1 H 1 10.470 0.018 A 518 TRP HE3 H 1 7.519 0.015 A 518 TRP HH2 H 1 7.057 0.002 A 518 TRP HZ2 H 1 7.375 0.010 A 518 TRP HZ3 H 1 7.052 0.008 A 518 TRP CA C 13 57.611 0.073 A 518 TRP CB C 13 30.051 0.038 A 518 TRP CD1 C 13 127.114 0.143 A 518 TRP CE3 C 13 121.090 0.317 A 518 TRP CH2 C 13 124.075 0.025 A 518 TRP CZ2 C 13 114.546 0.049 A 518 TRP N N 15 118.827 0.303 A 519 THR H H 1 7.988 0.031 A 519 THR HA H 1 4.452 0.009 A 519 THR HB H 1 4.226 0.015 A 519 THR HG2% H 1 1.138 0.008 A 519 THR CA C 13 61.626 0.097 A 519 THR CB C 13 69.871 0.119 A 519 THR CG2 C 13 21.640 0.035 A 519 THR N N 15 112.779 0.348 A 520 THR H H 1 8.048 0.031 A 520 THR HA H 1 4.348 0.030 A 520 THR HB H 1 4.251 0.008 A 520 THR HG2% H 1 1.155 0.019 A 520 THR CA C 13 62.066 0.068 A 520 THR CB C 13 69.564 0.323 A 520 THR CG2 C 13 21.790 0.021 A 520 THR N N 15 114.805 0.348 A 521 GLN H H 1 8.326 0.028 A 521 GLN HA H 1 4.279 0.010 A 521 GLN HBx H 1 2.017 0.010 A 521 GLN HBy H 1 2.092 0.024 A 521 GLN HE2y H 1 7.519 0.032 A 521 GLN HE2x H 1 6.774 0.000 A 521 GLN HGx H 1 2.290 0.008 A 521 GLN HGy H 1 2.290 0.008 A 521 GLN CA C 13 56.320 0.037 A 521 GLN CB C 13 29.362 0.105 A 521 GLN CG C 13 34.097 0.123 A 521 GLN N N 15 121.797 0.314 A 522 ASP H H 1 8.226 0.033 A 522 ASP HA H 1 4.538 0.009 A 522 ASP HBx H 1 2.389 0.374 A 522 ASP CA C 13 54.767 0.094 A 522 ASP CB C 13 41.162 0.029 A 522 ASP N N 15 120.779 0.304 A 523 GLU H H 1 8.364 0.028 A 523 GLU HA H 1 4.183 0.012 A 523 GLU HBy H 1 2.022 0.033 A 523 GLU HBx H 1 1.877 0.101 A 523 GLU HGx H 1 2.284 0.013 A 523 GLU HGy H 1 2.284 0.013 A 523 GLU CA C 13 57.350 0.027 A 523 GLU CB C 13 29.647 0.158 A 523 GLU CG C 13 35.599 0.058 A 523 GLU N N 15 120.946 0.262 A 524 GLY H H 1 8.386 0.025 A 524 GLY HAx H 1 3.874 0.011 A 524 GLY HAy H 1 3.874 0.011 A 524 GLY CA C 13 45.848 0.121 A 524 GLY N N 15 108.758 0.287 A 525 ALA H H 1 7.968 0.026 A 525 ALA HA H 1 4.252 0.012 A 525 ALA HB% H 1 1.367 0.009 A 525 ALA CA C 13 52.751 0.048 A 525 ALA CB C 13 19.538 0.392 A 525 ALA N N 15 123.267 0.268 A 526 ALA H H 1 8.121 0.031 A 526 ALA HA H 1 4.263 0.013 A 526 ALA HB% H 1 1.365 0.009 A 526 ALA CA C 13 52.826 0.018 A 526 ALA CB C 13 19.305 0.142 A 526 ALA N N 15 122.058 0.313 A 527 ILE H H 1 8.020 0.031 A 527 ILE HA H 1 4.034 0.062 A 527 ILE HB H 1 1.850 0.017 A 527 ILE HD1% H 1 0.837 0.013 A 527 ILE HG1y H 1 1.378 0.040 A 527 ILE HG1x H 1 1.138 0.013 A 527 ILE CA C 13 61.968 0.087 A 527 ILE CB C 13 38.781 0.403 A 527 ILE CG1 C 13 27.871 0.083 A 527 ILE N N 15 118.402 0.278 A 528 GLY H H 1 8.181 0.029 A 528 GLY HAx H 1 3.920 0.007 A 528 GLY HAy H 1 3.920 0.007 A 528 GLY CA C 13 45.851 0.036 A 528 GLY N N 15 109.880 0.279 A 529 LEU H H 1 8.168 0.032 A 529 LEU HA H 1 4.188 0.015 A 529 LEU HBx H 1 1.572 0.009 A 529 LEU HDx% H 1 0.830 0.018 A 529 LEU HDy% H 1 0.830 0.018 A 529 LEU CA C 13 55.459 0.100 A 529 LEU CB C 13 42.475 0.222 A 529 LEU N N 15 119.616 0.292 A 530 ALA H H 1 8.137 0.030 A 530 ALA HA H 1 4.008 0.031 A 530 ALA HB% H 1 1.366 0.004 A 530 ALA CA C 13 53.894 0.060 A 530 ALA CB C 13 19.147 0.244 A 530 ALA N N 15 120.798 0.307 A 531 TRP H H 1 7.481 0.026 A 531 TRP HA H 1 4.478 0.009 A 531 TRP HBy H 1 3.375 0.021 A 531 TRP HBx H 1 3.223 0.027 A 531 TRP HD1 H 1 7.334 0.009 A 531 TRP HE1 H 1 10.381 0.002 A 531 TRP HE3 H 1 7.476 0.012 A 531 TRP HH2 H 1 7.046 0.013 A 531 TRP HZ2 H 1 7.408 0.009 A 531 TRP HZ3 H 1 6.916 0.014 A 531 TRP CA C 13 56.503 0.088 A 531 TRP CB C 13 29.814 0.007 A 531 TRP CD1 C 13 127.054 0.067 A 531 TRP CE3 C 13 121.492 0.235 A 531 TRP CH2 C 13 124.139 0.035 A 531 TRP CZ2 C 13 114.619 0.086 A 531 TRP CZ3 C 13 120.971 0.006 A 531 TRP N N 15 115.166 0.328 A 532 ILE H H 1 7.282 0.025 A 532 ILE HA H 1 3.899 0.026 A 532 ILE HB H 1 1.697 0.000 A 532 ILE HD1% H 1 0.716 0.125 A 532 ILE HG1x H 1 1.409 0.000 A 532 ILE HG2% H 1 0.806 0.013 A 532 ILE CA C 13 61.736 0.047 A 532 ILE N N 15 121.710 0.242 A 533 PRO HA H 1 4.258 0.005 A 533 PRO HBx H 1 2.176 0.000 A 533 PRO HGx H 1 1.928 0.000 A 533 PRO HGy H 1 1.928 0.000 A 533 PRO CA C 13 64.199 0.025 A 534 TYR H H 1 7.935 0.038 A 534 TYR HA H 1 4.072 0.022 A 534 TYR HBx H 1 2.916 0.016 A 534 TYR HDx H 1 6.858 0.004 A 534 TYR HDy H 1 6.858 0.004 A 534 TYR HEx H 1 6.780 0.030 A 534 TYR HEy H 1 6.780 0.030 A 534 TYR CA C 13 60.802 0.000 A 534 TYR CDy C 13 132.935 0.044 A 534 TYR CEy C 13 118.233 0.016 A 534 TYR N N 15 115.671 0.283 A 535 PHE H H 1 8.186 0.201 A 535 PHE HA H 1 4.403 0.111 A 535 PHE HBx H 1 2.902 0.000 A 535 PHE HBy H 1 2.940 0.000 A 535 PHE HDx H 1 7.248 0.012 A 535 PHE HDy H 1 7.248 0.012 A 535 PHE HZ H 1 7.115 0.008 A 535 PHE CA C 13 58.756 0.095 A 535 PHE CDx C 13 131.132 0.067 A 535 PHE CZ C 13 129.351 0.095 A 536 GLY H H 1 7.977 0.023 A 536 GLY HAx H 1 3.612 0.003 A 536 GLY HAy H 1 3.612 0.003 A 536 GLY CA C 13 46.913 0.000 A 536 GLY N N 15 107.210 0.243 A 537 PRO HA H 1 4.332 0.003 A 537 PRO HBx H 1 2.313 0.007 A 537 PRO HGx H 1 1.918 0.022 A 537 PRO HGy H 1 1.918 0.022 A 537 PRO CA C 13 64.489 0.128 A 537 PRO CB C 13 32.000 0.000 A 538 ALA H H 1 7.957 0.031 A 538 ALA HA H 1 4.217 0.006 A 538 ALA HB% H 1 1.404 0.018 A 538 ALA CA C 13 53.829 0.048 A 538 ALA CB C 13 19.177 0.291 A 538 ALA N N 15 120.906 0.302 A 539 ALA H H 1 8.139 0.035 A 539 ALA HA H 1 4.077 0.007 A 539 ALA HB% H 1 1.365 0.013 A 539 ALA CA C 13 53.882 0.049 A 539 ALA CB C 13 19.360 0.386 A 539 ALA N N 15 120.550 0.307 A 540 GLU H H 1 8.105 0.040 A 540 GLU HA H 1 4.083 0.008 A 540 GLU HBx H 1 2.035 0.020 A 540 GLU HGx H 1 2.312 0.010 A 540 GLU HGy H 1 2.312 0.010 A 540 GLU CA C 13 58.411 0.103 A 540 GLU CB C 13 29.460 0.087 A 540 GLU CG C 13 35.548 0.000 A 540 GLU N N 15 117.055 0.327 A 541 GLY H H 1 8.142 0.027 A 541 GLY HAx H 1 3.914 0.034 A 541 GLY HAy H 1 3.914 0.034 A 541 GLY CA C 13 46.338 0.024 A 541 GLY N N 15 106.976 0.288 A 542 ILE H H 1 7.787 0.026 A 542 ILE HA H 1 3.965 0.003 A 542 ILE HB H 1 1.849 0.009 A 542 ILE HD1% H 1 0.813 0.015 A 542 ILE HG1y H 1 1.526 0.000 A 542 ILE HG1x H 1 1.362 0.002 A 542 ILE HG2% H 1 1.083 0.000 A 542 ILE CA C 13 62.756 0.254 A 542 ILE CB C 13 38.501 0.031 A 542 ILE N N 15 119.923 0.273 A 543 TYR H H 1 8.102 0.036 A 543 TYR HA H 1 4.361 0.057 A 543 TYR HBx H 1 3.061 0.035 A 543 TYR HDx H 1 7.044 0.015 A 543 TYR HDy H 1 7.044 0.015 A 543 TYR HEx H 1 6.774 0.014 A 543 TYR HEy H 1 6.774 0.014 A 543 TYR CA C 13 59.915 0.074 A 543 TYR CB C 13 38.681 0.116 A 543 TYR CDy C 13 132.997 0.119 A 543 TYR CEy C 13 118.361 0.141 A 543 TYR N N 15 122.099 0.335 A 544 ILE H H 1 8.135 0.036 A 544 ILE HA H 1 3.915 0.217 A 544 ILE HB H 1 1.915 0.006 A 544 ILE HD1% H 1 0.849 0.016 A 544 ILE HG1y H 1 1.594 0.017 A 544 ILE HG1x H 1 1.256 0.016 A 544 ILE CA C 13 63.016 0.043 A 544 ILE CB C 13 37.894 0.060 A 544 ILE CG1 C 13 28.216 0.020 A 544 ILE N N 15 119.747 0.293 A 545 GLU H H 1 8.253 0.046 A 545 GLU HA H 1 4.042 0.010 A 545 GLU HBx H 1 2.037 0.029 A 545 GLU HGx H 1 2.322 0.020 A 545 GLU HGy H 1 2.322 0.020 A 545 GLU CA C 13 58.666 0.062 A 545 GLU CB C 13 29.338 0.061 A 545 GLU CG C 13 35.535 0.065 A 545 GLU N N 15 120.770 0.310 A 546 GLY H H 1 8.041 0.029 A 546 GLY HAx H 1 3.833 0.011 A 546 GLY HAy H 1 3.833 0.011 A 546 GLY CA C 13 46.273 0.024 A 546 GLY N N 15 107.062 0.264 A 547 LEU H H 1 7.830 0.031 A 547 LEU HA H 1 4.256 0.031 A 547 LEU HBx H 1 1.586 0.019 A 547 LEU HDx% H 1 0.843 0.021 A 547 LEU HDy% H 1 0.843 0.021 A 547 LEU HG H 1 1.588 0.000 A 547 LEU CA C 13 56.456 0.008 A 547 LEU CB C 13 42.692 0.029 A 547 LEU N N 15 120.564 0.307 A 548 MET H H 1 7.945 0.032 A 548 MET HA H 1 4.280 0.021 A 548 MET HBx H 1 1.967 0.015 A 548 MET HE% H 1 2.003 0.007 A 548 MET HGy H 1 2.492 0.046 A 548 MET HGx H 1 2.413 0.010 A 548 MET CA C 13 56.185 0.014 A 548 MET CB C 13 32.407 0.127 A 548 MET CE C 13 17.202 0.035 A 548 MET CG C 13 32.562 0.060 A 548 MET N N 15 115.645 0.321 A 549 HIS H H 1 8.056 0.033 A 549 HIS HA H 1 4.299 0.000 A 549 HIS HBy H 1 3.179 0.054 A 549 HIS HBx H 1 3.162 0.002 A 549 HIS HD2 H 1 7.295 0.004 A 549 HIS HE1 H 1 7.916 0.635 A 549 HIS CA C 13 55.951 0.003 A 549 HIS CB C 13 29.265 0.092 A 549 HIS CD2 C 13 120.171 0.108 A 549 HIS CE1 C 13 136.274 0.278 A 549 HIS N N 15 116.850 0.288 A 550 ASN H H 1 8.251 0.033 A 550 ASN HA H 1 4.686 0.025 A 550 ASN HBx H 1 2.820 0.013 A 550 ASN HD2y H 1 7.654 0.000 A 550 ASN HD2x H 1 6.957 0.003 A 550 ASN CA C 13 53.703 0.020 A 550 ASN CB C 13 39.012 0.087 A 550 ASN N N 15 118.729 0.311 A 551 GLN H H 1 8.404 0.033 A 551 GLN HA H 1 4.305 0.009 A 551 GLN HBx H 1 1.947 0.000 A 551 GLN HBy H 1 2.021 0.000 A 551 GLN HE2y H 1 7.479 0.000 A 551 GLN HE2x H 1 6.784 0.000 A 551 GLN HGx H 1 2.331 0.020 A 551 GLN HGy H 1 2.331 0.020 A 551 GLN CA C 13 56.486 0.071 A 551 GLN CB C 13 29.224 0.070 A 551 GLN CG C 13 33.794 0.110 A 551 GLN N N 15 120.189 0.325 A 552 ASP H H 1 8.255 0.033 A 552 ASP HA H 1 4.537 0.008 A 552 ASP HBx H 1 2.186 0.364 A 552 ASP CA C 13 55.230 0.017 A 552 ASP CB C 13 41.088 0.066 A 552 ASP N N 15 119.802 0.325 A 553 GLY H H 1 8.196 0.027 A 553 GLY HAx H 1 3.911 0.001 A 553 GLY HAy H 1 3.911 0.001 A 553 GLY CA C 13 45.821 0.007 A 553 GLY N N 15 108.145 0.275 A 554 LEU H H 1 8.162 0.029 A 554 LEU HA H 1 4.254 0.019 A 554 LEU HBx H 1 1.686 0.030 A 554 LEU HDx% H 1 0.855 0.011 A 554 LEU HDy% H 1 0.855 0.011 A 554 LEU HG H 1 1.606 0.010 A 554 LEU CA C 13 56.388 0.117 A 554 LEU CB C 13 42.671 0.116 A 554 LEU N N 15 121.767 0.275 A 555 ILE H H 1 8.049 0.041 A 555 ILE HA H 1 4.027 0.019 A 555 ILE HB H 1 1.894 0.010 A 555 ILE HD1% H 1 0.845 0.013 A 555 ILE HG1y H 1 1.537 0.000 A 555 ILE HG1x H 1 1.150 0.017 A 555 ILE CA C 13 62.043 0.097 A 555 ILE CB C 13 38.210 0.088 A 555 ILE N N 15 117.672 0.379 A 556 CYS H H 1 8.285 0.043 A 556 CYS HA H 1 4.539 0.004 A 556 CYS HBx H 1 2.930 0.016 A 556 CYS HBy H 1 3.144 0.011 A 556 CYS CA C 13 56.069 0.198 A 556 CYS CB C 13 41.071 0.017 A 556 CYS N N 15 119.628 0.289 A 557 GLY H H 1 8.196 0.033 A 557 GLY HAx H 1 3.894 0.020 A 557 GLY HAy H 1 3.894 0.020 A 557 GLY CA C 13 45.823 0.139 A 557 GLY N N 15 108.767 0.299 A 558 LEU H H 1 7.902 0.025 A 558 LEU HA H 1 4.325 0.013 A 558 LEU HBx H 1 1.683 0.019 A 558 LEU HDx% H 1 0.845 0.014 A 558 LEU HDy% H 1 0.845 0.014 A 558 LEU HG H 1 1.573 0.008 A 558 LEU CA C 13 55.658 0.183 A 558 LEU CB C 13 42.719 0.036 A 558 LEU N N 15 120.550 0.276 A 559 ARG H H 1 8.073 0.031 A 559 ARG HA H 1 4.339 0.011 A 559 ARG HBx H 1 1.897 0.018 A 559 ARG HDx H 1 3.157 0.011 A 559 ARG HDy H 1 3.157 0.011 A 559 ARG HGy H 1 1.669 0.009 A 559 ARG HGx H 1 1.639 0.011 A 559 ARG HH1x H 1 7.360 0.000 A 559 ARG HH2x H 1 6.778 0.000 A 559 ARG CA C 13 55.843 0.093 A 559 ARG CB C 13 31.135 0.177 A 559 ARG CD C 13 43.504 0.071 A 559 ARG CG C 13 27.147 0.048 A 559 ARG N N 15 119.963 0.305 A 560 GLN H H 1 7.906 0.025 A 560 GLN HA H 1 4.120 0.019 A 560 GLN HBy H 1 2.053 0.004 A 560 GLN HBx H 1 1.909 0.007 A 560 GLN HE2y H 1 7.465 0.000 A 560 GLN HE2x H 1 6.789 0.000 A 560 GLN HGx H 1 2.272 0.011 A 560 GLN HGy H 1 2.272 0.011 A 560 GLN CA C 13 57.460 0.036 A 560 GLN CB C 13 30.490 0.131 A 560 GLN CG C 13 34.236 0.186 A 560 GLN N N 15 126.021 0.263 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 507 ALA HB% A 508 GLN HGx 1.0 1.8 4.70 2 1 A 507 ALA HB% A 508 GLN HGy 1.0 1.8 4.70 3 2 A 507 ALA HB% A 508 GLN H 1.0 1.8 5.50 4 3 A 508 GLN HA A 509 PRO HDx 1.0 1.8 3.70 5 4 A 508 GLN HGy A 509 PRO HDx 1.0 1.8 4.50 6 4 A 508 GLN HGx A 509 PRO HDx 1.0 1.8 4.50 7 4 A 509 PRO HDy A 508 GLN HGx 1.0 1.8 4.50 8 4 A 508 GLN HGy A 509 PRO HDy 1.0 1.8 4.50 9 5 A 508 GLN HA A 509 PRO HBy 1.0 1.8 4.50 10 5 A 508 GLN HA A 509 PRO HBx 1.0 1.8 4.50 11 6 A 508 GLN HBx A 509 PRO HDx 1.0 1.8 3.70 12 6 A 508 GLN HBy A 509 PRO HDx 1.0 1.8 3.70 13 7 A 509 PRO HDy A 508 GLN HBy 1.0 1.8 3.70 14 7 A 509 PRO HDy A 508 GLN HBx 1.0 1.8 3.70 15 8 A 508 GLN HA A 509 PRO HDy 1.0 1.8 3.70 16 9 A 508 GLN H A 509 PRO HA 1.0 1.8 4.60 17 10 A 508 GLN HGy A 510 LYS HBy 1.0 1.8 4.40 18 10 A 508 GLN HGx A 510 LYS HBy 1.0 1.8 4.40 19 10 A 510 LYS HBx A 508 GLN HGx 1.0 1.8 4.40 20 10 A 508 GLN HGy A 510 LYS HBx 1.0 1.8 4.40 21 11 A 511 CYS H A 508 GLN HGx 1.0 1.8 5.20 22 11 A 508 GLN HGy A 511 CYS H 1.0 1.8 5.20 23 12 A 508 GLN HGx A 554 LEU HDx% 1.0 1.8 4.80 24 12 A 508 GLN HGy A 554 LEU HDx% 1.0 1.8 4.80 25 12 A 554 LEU HDy% A 508 GLN HGx 1.0 1.8 4.80 26 12 A 508 GLN HGy A 554 LEU HDy% 1.0 1.8 4.80 27 13 A 558 LEU HA A 508 GLN HGx 1.0 1.8 5.00 28 13 A 508 GLN HGy A 558 LEU HA 1.0 1.8 5.00 29 14 A 509 PRO HA A 510 LYS H 1.0 1.8 2.80 30 15 A 510 LYS H A 509 PRO HGx 1.0 1.8 4.30 31 15 A 510 LYS H A 509 PRO HGy 1.0 1.8 4.30 32 16 A 510 LYS H A 509 PRO HBy 1.0 1.8 3.80 33 16 A 509 PRO HBx A 510 LYS H 1.0 1.8 3.80 34 17 A 509 PRO HA A 510 LYS HBy 1.0 1.8 4.40 35 17 A 509 PRO HA A 510 LYS HBx 1.0 1.8 4.40 36 18 A 510 LYS H A 510 LYS HBy 1.0 1.8 3.30 37 18 A 510 LYS HBx A 510 LYS H 1.0 1.8 3.30 38 19 A 510 LYS H A 510 LYS HEx 1.0 1.8 5.10 39 19 A 510 LYS H A 510 LYS HEy 1.0 1.8 5.10 40 20 A 510 LYS HA A 510 LYS HDx 1.0 1.8 4.60 41 20 A 510 LYS HA A 510 LYS HDy 1.0 1.8 4.60 42 21 A 510 LYS H A 510 LYS HDx 1.0 1.8 4.70 43 21 A 510 LYS H A 510 LYS HDy 1.0 1.8 4.70 44 22 A 510 LYS H A 510 LYS HGx 1.0 1.8 3.70 45 22 A 510 LYS H A 510 LYS HGy 1.0 1.8 3.70 46 23 A 510 LYS HDx A 510 LYS HGx 1.0 1.8 3.00 47 23 A 510 LYS HDy A 510 LYS HGx 1.0 1.8 3.00 48 23 A 510 LYS HGy A 510 LYS HDx 1.0 1.8 3.00 49 23 A 510 LYS HDy A 510 LYS HGy 1.0 1.8 3.00 50 24 A 511 CYS H A 510 LYS HBy 1.0 1.8 4.10 51 24 A 510 LYS HBx A 511 CYS H 1.0 1.8 4.10 52 25 A 511 CYS H A 510 LYS HGx 1.0 1.8 4.80 53 25 A 511 CYS H A 510 LYS HGy 1.0 1.8 4.80 54 26 A 511 CYS H A 510 LYS HA 1.0 1.8 3.39 55 27 A 510 LYS HA A 512 ASN H 1.0 1.8 5.00 56 28 A 510 LYS H A 513 PRO HDx 1.0 1.8 5.10 57 28 A 510 LYS H A 513 PRO HDy 1.0 1.8 5.10 58 29 A 510 LYS H A 558 LEU HDx% 1.0 1.8 5.30 59 29 A 510 LYS H A 558 LEU HDy% 1.0 1.8 5.30 60 30 A 511 CYS H A 511 CYS HBy 1.0 1.8 3.50 61 30 A 511 CYS H A 511 CYS HBx 1.0 1.8 3.50 62 31 A 512 ASN H A 511 CYS HBx 1.0 1.8 4.40 63 32 A 511 CYS H A 512 ASN H 1.0 1.8 4.50 64 33 A 512 ASN H A 511 CYS HBy 1.0 1.8 4.40 65 34 A 511 CYS H A 512 ASN HA 1.0 1.8 5.10 66 35 A 512 ASN HA A 511 CYS HA 1.0 1.8 4.80 67 36 A 511 CYS H A 555 ILE HD1% 1.0 1.8 4.80 68 37 A 511 CYS H A 555 ILE HA 1.0 1.8 4.87 69 38 A 511 CYS HA A 556 CYS HBx 1.0 1.8 4.01 70 38 A 511 CYS HA A 556 CYS HBy 1.0 1.8 4.01 71 39 A 556 CYS H A 511 CYS HBy 1.0 1.8 5.25 72 39 A 511 CYS HBx A 556 CYS H 1.0 1.8 5.25 73 40 A 512 ASN H A 512 ASN HBx 1.0 1.8 4.20 74 41 A 512 ASN HD2y A 512 ASN HBx 1.0 1.8 3.20 75 41 A 512 ASN HBy A 512 ASN HD2x 1.0 1.8 3.20 76 41 A 512 ASN HD2x A 512 ASN HBx 1.0 1.8 3.20 77 41 A 512 ASN HBy A 512 ASN HD2y 1.0 1.8 3.20 78 42 A 512 ASN H A 512 ASN HBy 1.0 1.8 4.20 79 43 A 512 ASN H A 513 PRO HGx 1.0 1.8 4.80 80 43 A 512 ASN H A 513 PRO HGy 1.0 1.8 4.80 81 44 A 512 ASN H A 513 PRO HDx 1.0 1.8 4.40 82 44 A 512 ASN H A 513 PRO HDy 1.0 1.8 4.40 83 45 A 512 ASN HA A 513 PRO HGx 1.0 1.8 5.00 84 45 A 512 ASN HA A 513 PRO HGy 1.0 1.8 5.00 85 46 A 512 ASN HA A 513 PRO HDx 1.0 1.8 3.98 86 46 A 513 PRO HDy A 512 ASN HA 1.0 1.8 3.98 87 47 A 512 ASN HD2y A 515 LEU HDx% 1.0 1.8 4.50 88 47 A 515 LEU HDy% A 512 ASN HD2x 1.0 1.8 4.50 89 47 A 515 LEU HDy% A 512 ASN HD2y 1.0 1.8 4.50 90 47 A 512 ASN HD2x A 515 LEU HDx% 1.0 1.8 4.50 91 48 A 512 ASN H A 515 LEU HDx% 1.0 1.8 4.80 92 48 A 512 ASN H A 515 LEU HDy% 1.0 1.8 4.80 93 49 A 517 TYR H A 512 ASN HD2x 1.0 1.8 4.10 94 49 A 517 TYR H A 512 ASN HD2y 1.0 1.8 4.10 95 50 A 517 TYR H A 512 ASN HD2x 1.0 1.8 4.70 96 51 A 517 TYR H A 512 ASN HD2y 1.0 1.8 4.70 97 52 A 512 ASN H A 555 ILE HG1y 1.0 1.8 5.00 98 52 A 512 ASN H A 555 ILE HG1x 1.0 1.8 5.00 99 53 A 512 ASN H A 556 CYS H 1.0 1.8 3.98 100 54 A 514 ASN H A 513 PRO HBx 1.0 1.8 4.50 101 54 A 513 PRO HBy A 514 ASN H 1.0 1.8 4.50 102 55 A 514 ASN H A 513 PRO HGx 1.0 1.8 3.90 103 55 A 513 PRO HGy A 514 ASN H 1.0 1.8 3.90 104 56 A 514 ASN H A 513 PRO HDx 1.0 1.8 4.50 105 56 A 513 PRO HDy A 514 ASN H 1.0 1.8 4.50 106 57 A 514 ASN H A 513 PRO HA 1.0 1.8 3.60 107 58 A 515 LEU H A 513 PRO HGx 1.0 1.8 4.90 108 58 A 513 PRO HGy A 515 LEU H 1.0 1.8 4.90 109 59 A 554 LEU HG A 513 PRO HBx 1.0 1.8 4.20 110 59 A 513 PRO HBy A 554 LEU HG 1.0 1.8 4.20 111 60 A 556 CYS H A 513 PRO HGx 1.0 1.8 4.30 112 60 A 556 CYS H A 513 PRO HGy 1.0 1.8 4.30 113 61 A 514 ASN H A 514 ASN HD2x 1.0 1.8 5.10 114 62 A 514 ASN H A 514 ASN HD2y 1.0 1.8 5.10 115 63 A 514 ASN H A 514 ASN HBx 1.0 1.8 3.90 116 64 A 514 ASN H A 514 ASN HBy 1.0 1.8 3.90 117 65 A 514 ASN H A 514 ASN HD2y 1.0 1.8 4.30 118 65 A 514 ASN H A 514 ASN HD2x 1.0 1.8 4.30 119 66 A 515 LEU H A 514 ASN HD2y 1.0 1.8 4.87 120 66 A 515 LEU H A 514 ASN HD2x 1.0 1.8 4.87 121 67 A 514 ASN H A 515 LEU HDx% 1.0 1.8 5.00 122 67 A 515 LEU HDy% A 514 ASN H 1.0 1.8 5.00 123 68 A 514 ASN H A 515 LEU H 1.0 1.8 4.10 124 69 A 515 LEU H A 514 ASN HBx 1.0 1.8 4.80 125 70 A 515 LEU H A 514 ASN HBy 1.0 1.8 4.80 126 71 A 515 LEU H A 514 ASN HBx 1.0 1.8 4.20 127 71 A 515 LEU H A 514 ASN HBy 1.0 1.8 4.20 128 72 A 514 ASN H A 515 LEU HBx 1.0 1.8 4.70 129 72 A 514 ASN H A 515 LEU HBy 1.0 1.8 4.70 130 73 A 552 ASP H A 514 ASN HBx 1.0 1.8 3.58 131 73 A 514 ASN HBy A 552 ASP H 1.0 1.8 3.58 132 74 A 514 ASN HD2y A 553 GLY H 1.0 1.8 3.60 133 74 A 514 ASN HD2x A 553 GLY H 1.0 1.8 3.60 134 75 A 515 LEU H A 515 LEU HBx 1.0 1.8 3.70 135 75 A 515 LEU H A 515 LEU HBy 1.0 1.8 3.70 136 76 A 515 LEU H A 515 LEU HDx% 1.0 1.8 4.30 137 76 A 515 LEU HDy% A 515 LEU H 1.0 1.8 4.30 138 77 A 516 HIS H A 515 LEU HBx 1.0 1.8 4.10 139 77 A 515 LEU HBy A 516 HIS H 1.0 1.8 4.10 140 78 A 515 LEU H A 516 HIS H 1.0 1.8 4.40 141 79 A 516 HIS H A 515 LEU HDx% 1.0 1.8 4.30 142 79 A 515 LEU HDy% A 516 HIS H 1.0 1.8 4.30 143 80 A 517 TYR HD% A 515 LEU HDx% 1.0 1.8 4.50 144 80 A 515 LEU HDy% A 517 TYR HD% 1.0 1.8 4.50 145 81 A 517 TYR HE% A 515 LEU HDx% 1.0 1.8 4.00 146 81 A 515 LEU HDy% A 517 TYR HE% 1.0 1.8 4.00 147 82 A 518 TRP HE1 A 515 LEU HDx% 1.0 1.8 4.80 148 82 A 515 LEU HDy% A 518 TRP HE1 1.0 1.8 4.80 149 83 A 515 LEU HDx% A 560 GLN HBx 1.0 1.8 4.90 150 83 A 515 LEU HDy% A 560 GLN HBx 1.0 1.8 4.90 151 83 A 560 GLN HBy A 515 LEU HDx% 1.0 1.8 4.90 152 83 A 515 LEU HDy% A 560 GLN HBy 1.0 1.8 4.90 153 84 A 515 LEU HDy% A 560 GLN HGx 1.0 1.8 4.10 154 84 A 515 LEU HDx% A 560 GLN HGx 1.0 1.8 4.10 155 84 A 560 GLN HGy A 515 LEU HDx% 1.0 1.8 4.10 156 84 A 515 LEU HDy% A 560 GLN HGy 1.0 1.8 4.10 157 85 A 516 HIS H A 516 HIS HBx 1.0 1.8 4.20 158 85 A 516 HIS H A 516 HIS HBy 1.0 1.8 4.20 159 86 A 516 HIS H A 516 HIS HD2 1.0 1.8 5.20 160 87 A 517 TYR H A 516 HIS HA 1.0 1.8 3.47 161 88 A 516 HIS H A 517 TYR HD% 1.0 1.8 4.40 162 89 A 516 HIS H A 517 TYR HBx 1.0 1.8 5.13 163 89 A 516 HIS H A 517 TYR HBy 1.0 1.8 5.13 164 90 A 516 HIS H A 518 TRP H 1.0 1.8 4.50 165 91 A 516 HIS HD2 A 519 THR HB 1.0 1.8 4.50 166 92 A 517 TYR H A 517 TYR HE% 1.0 1.8 4.82 167 93 A 517 TYR H A 517 TYR HD% 1.0 1.8 4.60 168 94 A 517 TYR H A 517 TYR HBx 1.0 1.8 4.00 169 94 A 517 TYR H A 517 TYR HBy 1.0 1.8 4.00 170 95 A 517 TYR HD% A 517 TYR HA 1.0 1.8 4.20 171 96 A 518 TRP H A 517 TYR HBx 1.0 1.8 4.60 172 96 A 517 TYR HBy A 518 TRP H 1.0 1.8 4.60 173 97 A 517 TYR HE% A 518 TRP H 1.0 1.8 4.32 174 98 A 517 TYR HE% A 518 TRP HE3 1.0 1.8 4.56 175 99 A 517 TYR H A 518 TRP H 1.0 1.8 4.50 176 100 A 517 TYR H A 518 TRP HD1 1.0 1.8 4.90 177 101 A 517 TYR HE% A 518 TRP HZ3 1.0 1.8 4.00 178 102 A 517 TYR HE% A 521 GLN HE2y 1.0 1.8 4.20 179 102 A 517 TYR HE% A 521 GLN HE2x 1.0 1.8 4.20 180 103 A 550 ASN HA A 517 TYR HBx 1.0 1.8 3.90 181 103 A 517 TYR HBy A 550 ASN HA 1.0 1.8 3.90 182 104 A 551 GLN HA A 517 TYR HBx 1.0 1.8 4.50 183 104 A 517 TYR HBy A 551 GLN HA 1.0 1.8 4.50 184 105 A 518 TRP H A 518 TRP HD1 1.0 1.8 5.10 185 106 A 518 TRP H A 518 TRP HE3 1.0 1.8 4.50 186 107 A 518 TRP H A 518 TRP HBx 1.0 1.8 4.11 187 107 A 518 TRP H A 518 TRP HBy 1.0 1.8 4.11 188 108 A 518 TRP HE1 A 518 TRP HBx 1.0 1.8 5.30 189 108 A 518 TRP HE1 A 518 TRP HBy 1.0 1.8 5.30 190 109 A 518 TRP HE1 A 519 THR HB 1.0 1.8 5.20 191 110 A 519 THR H A 518 TRP HBx 1.0 1.8 4.60 192 110 A 518 TRP HBy A 519 THR H 1.0 1.8 4.60 193 111 A 518 TRP H A 519 THR H 1.0 1.8 4.60 194 112 A 518 TRP HD1 A 519 THR H 1.0 1.8 5.00 195 113 A 518 TRP HE1 A 519 THR HG2% 1.0 1.8 4.90 196 114 A 518 TRP HA A 520 THR H 1.0 1.8 4.50 197 115 A 518 TRP H A 521 GLN HE2y 1.0 1.8 4.90 198 115 A 518 TRP H A 521 GLN HE2x 1.0 1.8 4.90 199 116 A 518 TRP HA A 521 GLN H 1.0 1.8 4.30 200 117 A 519 THR H A 519 THR HG2% 1.0 1.8 4.00 201 118 A 519 THR HB A 519 THR H 1.0 1.8 3.92 202 119 A 520 THR H A 519 THR HA 1.0 1.8 3.60 203 120 A 519 THR HG2% A 520 THR H 1.0 1.8 3.50 204 121 A 519 THR HB A 521 GLN H 1.0 1.8 5.06 205 122 A 519 THR HG2% A 521 GLN HBx 1.0 1.8 3.74 206 122 A 519 THR HG2% A 521 GLN HBy 1.0 1.8 3.74 207 123 A 519 THR HG2% A 521 GLN HGx 1.0 1.8 4.93 208 123 A 519 THR HG2% A 521 GLN HGy 1.0 1.8 4.93 209 124 A 519 THR HG2% A 523 GLU HGx 1.0 1.8 4.50 210 124 A 519 THR HG2% A 523 GLU HGy 1.0 1.8 4.50 211 125 A 520 THR H A 520 THR HB 1.0 1.8 3.50 212 126 A 520 THR HA A 520 THR HG2% 1.0 1.8 4.20 213 127 A 520 THR H A 520 THR HG2% 1.0 1.8 3.80 214 128 A 520 THR HG2% A 521 GLN HGx 1.0 1.8 4.40 215 128 A 521 GLN HGy A 520 THR HG2% 1.0 1.8 4.40 216 129 A 521 GLN H A 520 THR HG2% 1.0 1.8 4.00 217 130 A 520 THR HG2% A 521 GLN HBx 1.0 1.8 4.20 218 130 A 521 GLN HBy A 520 THR HG2% 1.0 1.8 4.20 219 131 A 520 THR H A 521 GLN HBx 1.0 1.8 5.00 220 131 A 520 THR H A 521 GLN HBy 1.0 1.8 5.00 221 132 A 520 THR H A 521 GLN HGx 1.0 1.8 5.10 222 132 A 520 THR H A 521 GLN HGy 1.0 1.8 5.10 223 133 A 520 THR H A 521 GLN H 1.0 1.8 3.80 224 134 A 521 GLN H A 520 THR HB 1.0 1.8 4.50 225 135 A 520 THR HG2% A 522 ASP H 1.0 1.8 4.77 226 136 A 520 THR HG2% A 523 GLU HGx 1.0 1.8 5.41 227 136 A 523 GLU HGy A 520 THR HG2% 1.0 1.8 5.41 228 137 A 520 THR HG2% A 524 GLY H 1.0 1.8 4.90 229 138 A 520 THR HG2% A 543 TYR H 1.0 1.8 4.60 230 139 A 521 GLN HGy A 521 GLN HE2y 1.0 1.8 3.10 231 139 A 521 GLN HE2y A 521 GLN HGx 1.0 1.8 3.10 232 139 A 521 GLN HGy A 521 GLN HE2x 1.0 1.8 3.10 233 139 A 521 GLN HE2x A 521 GLN HGx 1.0 1.8 3.10 234 140 A 521 GLN HE2x A 521 GLN HGx 1.0 1.8 3.80 235 140 A 521 GLN HGy A 521 GLN HE2x 1.0 1.8 3.80 236 141 A 521 GLN HA A 521 GLN HGx 1.0 1.8 3.80 237 141 A 521 GLN HGy A 521 GLN HA 1.0 1.8 3.80 238 142 A 521 GLN HE2y A 521 GLN HGx 1.0 1.8 3.80 239 142 A 521 GLN HGy A 521 GLN HE2y 1.0 1.8 3.80 240 143 A 521 GLN H A 521 GLN HGx 1.0 1.8 4.47 241 143 A 521 GLN H A 521 GLN HGy 1.0 1.8 4.47 242 144 A 521 GLN H A 521 GLN HBy 1.0 1.8 3.70 243 145 A 521 GLN H A 521 GLN HBx 1.0 1.8 3.70 244 146 A 521 GLN HBx A 521 GLN HGx 1.0 1.8 2.81 245 146 A 521 GLN HBy A 521 GLN HGx 1.0 1.8 2.81 246 146 A 521 GLN HGy A 521 GLN HBx 1.0 1.8 2.81 247 146 A 521 GLN HBy A 521 GLN HGy 1.0 1.8 2.81 248 147 A 521 GLN H A 522 ASP HBx 1.0 1.8 4.90 249 147 A 521 GLN H A 522 ASP HBy 1.0 1.8 4.90 250 148 A 522 ASP H A 521 GLN HBx 1.0 1.8 4.47 251 148 A 521 GLN HBy A 522 ASP H 1.0 1.8 4.47 252 149 A 522 ASP H A 521 GLN HA 1.0 1.8 3.38 253 150 A 522 ASP H A 521 GLN HGx 1.0 1.8 3.80 254 150 A 521 GLN HGy A 522 ASP H 1.0 1.8 3.80 255 151 A 521 GLN HE2y A 525 ALA HB% 1.0 1.8 4.60 256 151 A 521 GLN HE2x A 525 ALA HB% 1.0 1.8 4.60 257 152 A 521 GLN HE2y A 525 ALA H 1.0 1.8 4.99 258 152 A 521 GLN HE2x A 525 ALA H 1.0 1.8 4.99 259 153 A 525 ALA HB% A 521 GLN HGx 1.0 1.8 3.80 260 153 A 521 GLN HGy A 525 ALA HB% 1.0 1.8 3.80 261 154 A 521 GLN H A 525 ALA HB% 1.0 1.8 3.90 262 155 A 521 GLN HBx A 547 LEU HBx 1.0 1.8 4.30 263 155 A 521 GLN HBy A 547 LEU HBx 1.0 1.8 4.30 264 155 A 547 LEU HBy A 521 GLN HBx 1.0 1.8 4.30 265 155 A 521 GLN HBy A 547 LEU HBy 1.0 1.8 4.30 266 156 A 521 GLN HGy A 547 LEU HDx% 1.0 1.8 4.00 267 156 A 521 GLN HGx A 547 LEU HDx% 1.0 1.8 4.00 268 156 A 547 LEU HDy% A 521 GLN HGx 1.0 1.8 4.00 269 156 A 521 GLN HGy A 547 LEU HDy% 1.0 1.8 4.00 270 157 A 550 ASN HA A 521 GLN HBx 1.0 1.8 4.10 271 158 A 550 ASN HA A 521 GLN HBy 1.0 1.8 4.10 272 159 A 522 ASP H A 522 ASP HBx 1.0 1.8 3.30 273 159 A 522 ASP H A 522 ASP HBy 1.0 1.8 3.30 274 160 A 522 ASP HA A 523 GLU H 1.0 1.8 3.10 275 161 A 522 ASP HBy A 523 GLU HBy 1.0 1.8 4.60 276 161 A 522 ASP HBx A 523 GLU HBy 1.0 1.8 4.60 277 161 A 523 GLU HBx A 522 ASP HBx 1.0 1.8 4.60 278 161 A 522 ASP HBy A 523 GLU HBx 1.0 1.8 4.60 279 162 A 523 GLU H A 522 ASP HBx 1.0 1.8 3.60 280 162 A 522 ASP HBy A 523 GLU H 1.0 1.8 3.60 281 163 A 524 GLY H A 522 ASP HBx 1.0 1.8 4.80 282 163 A 524 GLY H A 522 ASP HBy 1.0 1.8 4.80 283 164 A 525 ALA H A 522 ASP HBx 1.0 1.8 5.20 284 164 A 522 ASP HBy A 525 ALA H 1.0 1.8 5.20 285 165 A 522 ASP H A 525 ALA HB% 1.0 1.8 4.00 286 166 A 526 ALA HB% A 522 ASP HBx 1.0 1.8 4.20 287 166 A 522 ASP HBy A 526 ALA HB% 1.0 1.8 4.20 288 167 A 523 GLU H A 523 GLU HGx 1.0 1.8 3.40 289 167 A 523 GLU HGy A 523 GLU H 1.0 1.8 3.40 290 168 A 523 GLU H A 523 GLU HBx 1.0 1.8 4.10 291 169 A 523 GLU HA A 523 GLU HGx 1.0 1.8 4.00 292 169 A 523 GLU HGy A 523 GLU HA 1.0 1.8 4.00 293 170 A 523 GLU H A 523 GLU HBy 1.0 1.8 3.30 294 170 A 523 GLU H A 523 GLU HBx 1.0 1.8 3.30 295 171 A 523 GLU H A 523 GLU HBy 1.0 1.8 4.10 296 172 A 523 GLU H A 524 GLY HAx 1.0 1.8 3.70 297 172 A 523 GLU H A 524 GLY HAy 1.0 1.8 3.70 298 173 A 524 GLY H A 523 GLU HBy 1.0 1.8 4.50 299 174 A 524 GLY H A 523 GLU HGx 1.0 1.8 4.10 300 174 A 523 GLU HGy A 524 GLY H 1.0 1.8 4.10 301 175 A 524 GLY H A 523 GLU HA 1.0 1.8 3.40 302 176 A 524 GLY H A 523 GLU HBx 1.0 1.8 4.50 303 177 A 523 GLU HBx A 524 GLY HAx 1.0 1.8 4.70 304 177 A 523 GLU HBy A 524 GLY HAx 1.0 1.8 4.70 305 177 A 524 GLY HAy A 523 GLU HBy 1.0 1.8 4.70 306 177 A 523 GLU HBx A 524 GLY HAy 1.0 1.8 4.70 307 178 A 524 GLY H A 523 GLU HBy 1.0 1.8 3.70 308 178 A 524 GLY H A 523 GLU HBx 1.0 1.8 3.70 309 179 A 525 ALA H A 523 GLU H 1.0 1.8 4.50 310 180 A 525 ALA HB% A 523 GLU H 1.0 1.8 4.40 311 181 A 525 ALA H A 523 GLU HBy 1.0 1.8 4.80 312 181 A 525 ALA H A 523 GLU HBx 1.0 1.8 4.80 313 182 A 525 ALA H A 523 GLU HGx 1.0 1.8 4.90 314 182 A 523 GLU HGy A 525 ALA H 1.0 1.8 4.90 315 183 A 526 ALA HB% A 523 GLU HGx 1.0 1.8 4.50 316 183 A 523 GLU HGy A 526 ALA HB% 1.0 1.8 4.50 317 184 A 527 ILE HD1% A 523 GLU HBy 1.0 1.8 4.30 318 184 A 523 GLU HBx A 527 ILE HD1% 1.0 1.8 4.30 319 185 A 523 GLU H A 527 ILE HG1x 1.0 1.8 4.90 320 185 A 523 GLU H A 527 ILE HG1y 1.0 1.8 4.90 321 186 A 523 GLU H A 527 ILE HD1% 1.0 1.8 4.38 322 187 A 527 ILE HD1% A 523 GLU HGx 1.0 1.8 3.90 323 187 A 523 GLU HGy A 527 ILE HD1% 1.0 1.8 3.90 324 188 A 524 GLY H A 524 GLY HAx 1.0 1.8 2.90 325 188 A 524 GLY H A 524 GLY HAy 1.0 1.8 2.90 326 189 A 524 GLY H A 525 ALA H 1.0 1.8 3.50 327 190 A 525 ALA HB% A 524 GLY HAx 1.0 1.8 4.50 328 190 A 525 ALA HB% A 524 GLY HAy 1.0 1.8 4.50 329 191 A 525 ALA H A 524 GLY HAx 1.0 1.8 3.20 330 191 A 525 ALA H A 524 GLY HAy 1.0 1.8 3.20 331 192 A 524 GLY H A 525 ALA HB% 1.0 1.8 4.40 332 193 A 524 GLY H A 526 ALA H 1.0 1.8 4.80 333 194 A 526 ALA H A 524 GLY HAx 1.0 1.8 4.10 334 194 A 524 GLY HAy A 526 ALA H 1.0 1.8 4.10 335 195 A 527 ILE HD1% A 524 GLY HAx 1.0 1.8 4.20 336 195 A 524 GLY HAy A 527 ILE HD1% 1.0 1.8 4.20 337 196 A 527 ILE H A 524 GLY HAx 1.0 1.8 3.90 338 196 A 524 GLY HAy A 527 ILE H 1.0 1.8 3.90 339 197 A 524 GLY HAx A 527 ILE HG1x 1.0 1.8 3.82 340 197 A 524 GLY HAy A 527 ILE HG1x 1.0 1.8 3.82 341 197 A 527 ILE HG1y A 524 GLY HAx 1.0 1.8 3.82 342 197 A 524 GLY HAy A 527 ILE HG1y 1.0 1.8 3.82 343 198 A 524 GLY H A 527 ILE HD1% 1.0 1.8 5.10 344 199 A 524 GLY H A 527 ILE HG1x 1.0 1.8 5.05 345 199 A 524 GLY H A 527 ILE HG1y 1.0 1.8 5.05 346 200 A 525 ALA HB% A 525 ALA H 1.0 1.8 3.00 347 201 A 526 ALA H A 525 ALA HA 1.0 1.8 2.90 348 202 A 525 ALA H A 526 ALA HA 1.0 1.8 5.18 349 203 A 525 ALA H A 526 ALA H 1.0 1.8 4.22 350 204 A 525 ALA HA A 528 GLY H 1.0 1.8 5.00 351 205 A 525 ALA H A 527 ILE HD1% 1.0 1.8 5.03 352 206 A 525 ALA H A 527 ILE HG1x 1.0 1.8 4.28 353 206 A 525 ALA H A 527 ILE HG1y 1.0 1.8 4.28 354 207 A 526 ALA HB% A 526 ALA H 1.0 1.8 2.90 355 208 A 527 ILE HD1% A 526 ALA H 1.0 1.8 3.90 356 209 A 526 ALA H A 527 ILE HG1x 1.0 1.8 4.42 357 209 A 527 ILE HG1y A 526 ALA H 1.0 1.8 4.42 358 210 A 527 ILE HD1% A 526 ALA HA 1.0 1.8 4.50 359 211 A 526 ALA HB% A 527 ILE HD1% 1.0 1.8 3.20 360 212 A 526 ALA HA A 527 ILE HG1x 1.0 1.8 4.60 361 212 A 527 ILE HG1y A 526 ALA HA 1.0 1.8 4.60 362 213 A 526 ALA HB% A 527 ILE H 1.0 1.8 3.20 363 214 A 526 ALA H A 527 ILE H 1.0 1.8 3.40 364 215 A 527 ILE H A 526 ALA HA 1.0 1.8 3.40 365 216 A 526 ALA HB% A 531 TRP HH2 1.0 1.8 4.30 366 217 A 526 ALA H A 544 ILE HG1x 1.0 1.8 4.60 367 217 A 526 ALA H A 544 ILE HG1y 1.0 1.8 4.60 368 218 A 527 ILE H A 527 ILE HB 1.0 1.8 3.60 369 219 A 527 ILE H A 527 ILE HG1x 1.0 1.8 4.10 370 220 A 527 ILE HD1% A 527 ILE H 1.0 1.8 3.70 371 221 A 527 ILE HD1% A 527 ILE HA 1.0 1.8 4.00 372 222 A 527 ILE HG1y A 527 ILE HA 1.0 1.8 3.79 373 223 A 527 ILE HG1y A 527 ILE H 1.0 1.8 4.10 374 224 A 527 ILE H A 527 ILE HG1x 1.0 1.8 3.50 375 224 A 527 ILE HG1y A 527 ILE H 1.0 1.8 3.50 376 225 A 527 ILE HD1% A 527 ILE HB 1.0 1.8 3.50 377 226 A 528 GLY H A 527 ILE HB 1.0 1.8 4.60 378 227 A 527 ILE HD1% A 528 GLY H 1.0 1.8 4.30 379 228 A 527 ILE HG1y A 528 GLY H 1.0 1.8 5.40 380 229 A 528 GLY H A 527 ILE HG1x 1.0 1.8 4.60 381 229 A 527 ILE HG1y A 528 GLY H 1.0 1.8 4.60 382 230 A 528 GLY H A 527 ILE HG1x 1.0 1.8 5.40 383 231 A 527 ILE H A 528 GLY H 1.0 1.8 4.01 384 232 A 527 ILE HD1% A 531 TRP HH2 1.0 1.8 4.50 385 233 A 531 TRP HH2 A 527 ILE HG1x 1.0 1.8 4.55 386 233 A 527 ILE HG1y A 531 TRP HH2 1.0 1.8 4.55 387 234 A 531 TRP HE1 A 528 GLY HAx 1.0 1.8 4.80 388 234 A 528 GLY HAy A 531 TRP HE1 1.0 1.8 4.80 389 235 A 529 LEU H A 528 GLY HAx 1.0 1.8 3.19 390 235 A 528 GLY HAy A 529 LEU H 1.0 1.8 3.19 391 236 A 529 LEU HBx A 529 LEU HDx% 1.0 1.8 3.40 392 236 A 529 LEU HBy A 529 LEU HDx% 1.0 1.8 3.40 393 236 A 529 LEU HDy% A 529 LEU HBy 1.0 1.8 3.40 394 236 A 529 LEU HBx A 529 LEU HDy% 1.0 1.8 3.40 395 237 A 529 LEU H A 529 LEU HBx 1.0 1.8 4.10 396 238 A 529 LEU H A 529 LEU HBy 1.0 1.8 3.40 397 238 A 529 LEU H A 529 LEU HBx 1.0 1.8 3.40 398 239 A 529 LEU H A 529 LEU HBy 1.0 1.8 4.10 399 240 A 529 LEU H A 529 LEU HDx% 1.0 1.8 3.50 400 240 A 529 LEU H A 529 LEU HDy% 1.0 1.8 3.50 401 241 A 529 LEU HA A 530 ALA H 1.0 1.8 3.21 402 242 A 530 ALA H A 529 LEU HBy 1.0 1.8 4.30 403 242 A 529 LEU HBx A 530 ALA H 1.0 1.8 4.30 404 243 A 530 ALA H A 529 LEU HDx% 1.0 1.8 4.10 405 243 A 529 LEU HDy% A 530 ALA H 1.0 1.8 4.10 406 244 A 531 TRP HE1 A 529 LEU HBx 1.0 1.8 5.00 407 245 A 531 TRP HE1 A 529 LEU HBy 1.0 1.8 5.00 408 246 A 531 TRP HE1 A 529 LEU HA 1.0 1.8 4.30 409 247 A 531 TRP HE1 A 529 LEU HBy 1.0 1.8 4.20 410 247 A 531 TRP HE1 A 529 LEU HBx 1.0 1.8 4.20 411 248 A 531 TRP HZ2 A 529 LEU HDx% 1.0 1.8 4.20 412 248 A 529 LEU HDy% A 531 TRP HZ2 1.0 1.8 4.20 413 249 A 534 TYR HD% A 529 LEU HDx% 1.0 1.8 4.30 414 249 A 529 LEU HDy% A 534 TYR HD% 1.0 1.8 4.30 415 250 A 529 LEU H A 543 TYR HBx 1.0 1.8 5.01 416 250 A 529 LEU H A 543 TYR HBy 1.0 1.8 5.01 417 251 A 530 ALA H A 530 ALA HB% 1.0 1.8 3.30 418 252 A 530 ALA H A 531 TRP H 1.0 1.8 4.10 419 253 A 531 TRP HE1 A 530 ALA H 1.0 1.8 4.60 420 254 A 530 ALA HB% A 531 TRP H 1.0 1.8 4.30 421 255 A 530 ALA H A 531 TRP HD1 1.0 1.8 4.60 422 256 A 530 ALA HB% A 531 TRP HE3 1.0 1.8 4.20 423 257 A 530 ALA HB% A 532 ILE H 1.0 1.8 4.20 424 258 A 530 ALA H A 532 ILE H 1.0 1.8 5.18 425 259 A 531 TRP HE1 A 531 TRP HBy 1.0 1.8 5.20 426 260 A 531 TRP HE1 A 531 TRP HBx 1.0 1.8 5.20 427 261 A 531 TRP HE1 A 532 ILE HG2% 1.0 1.8 3.60 428 262 A 531 TRP H A 532 ILE H 1.0 1.8 3.80 429 263 A 532 ILE H A 531 TRP HBx 1.0 1.8 4.30 430 263 A 532 ILE H A 531 TRP HBy 1.0 1.8 4.30 431 264 A 531 TRP H A 532 ILE HG2% 1.0 1.8 4.80 432 265 A 531 TRP HE1 A 532 ILE HD1% 1.0 1.8 4.70 433 266 A 532 ILE H A 532 ILE HG1y 1.0 1.8 4.20 434 266 A 532 ILE H A 532 ILE HG1x 1.0 1.8 4.20 435 267 A 532 ILE H A 532 ILE HG1y 1.0 1.8 4.80 436 268 A 532 ILE H A 532 ILE HG2% 1.0 1.8 4.20 437 269 A 532 ILE H A 532 ILE HG1x 1.0 1.8 4.80 438 270 A 532 ILE H A 532 ILE HD1% 1.0 1.8 4.30 439 271 A 535 PHE HE% A 532 ILE HG1y 1.0 1.8 4.40 440 271 A 532 ILE HG1x A 535 PHE HE% 1.0 1.8 4.40 441 272 A 532 ILE HG2% A 535 PHE HE% 1.0 1.8 4.10 442 273 A 534 TYR HD% A 534 TYR HA 1.0 1.8 4.10 443 274 A 534 TYR HD% A 534 TYR H 1.0 1.8 4.20 444 275 A 534 TYR H A 534 TYR HBx 1.0 1.8 3.87 445 275 A 534 TYR H A 534 TYR HBy 1.0 1.8 3.87 446 276 A 535 PHE HE% A 534 TYR HE% 1.0 1.8 4.00 447 277 A 534 TYR HD% A 535 PHE HD% 1.0 1.8 3.96 448 278 A 534 TYR HE% A 535 PHE HD% 1.0 1.8 4.16 449 279 A 536 GLY H A 534 TYR HBx 1.0 1.8 4.52 450 279 A 534 TYR HBy A 536 GLY H 1.0 1.8 4.52 451 280 A 536 GLY H A 534 TYR HBx 1.0 1.8 5.20 452 280 A 534 TYR HBy A 536 GLY H 1.0 1.8 5.20 453 281 A 536 GLY H A 535 PHE H 1.0 1.8 3.26 454 282 A 535 PHE HZ A 539 ALA HB% 1.0 1.8 4.70 455 283 A 539 ALA HB% A 535 PHE HBx 1.0 1.8 4.60 456 283 A 539 ALA HB% A 535 PHE HBy 1.0 1.8 4.60 457 284 A 536 GLY H A 537 PRO HDx 1.0 1.8 4.50 458 284 A 536 GLY H A 537 PRO HDy 1.0 1.8 4.50 459 285 A 538 ALA H A 536 GLY HAx 1.0 1.8 4.69 460 285 A 536 GLY HAy A 538 ALA H 1.0 1.8 4.69 461 286 A 536 GLY H A 538 ALA HB% 1.0 1.8 4.68 462 287 A 538 ALA H A 537 PRO HDx 1.0 1.8 4.40 463 287 A 537 PRO HDy A 538 ALA H 1.0 1.8 4.40 464 288 A 538 ALA H A 537 PRO HGx 1.0 1.8 4.20 465 288 A 538 ALA H A 537 PRO HGy 1.0 1.8 4.20 466 289 A 538 ALA H A 537 PRO HBx 1.0 1.8 4.70 467 289 A 538 ALA H A 537 PRO HBy 1.0 1.8 4.70 468 290 A 538 ALA H A 538 ALA HB% 1.0 1.8 3.40 469 291 A 538 ALA H A 539 ALA H 1.0 1.8 3.60 470 292 A 538 ALA H A 540 GLU HBx 1.0 1.8 4.50 471 292 A 538 ALA H A 540 GLU HBy 1.0 1.8 4.50 472 293 A 538 ALA H A 540 GLU H 1.0 1.8 3.75 473 294 A 539 ALA HB% A 539 ALA H 1.0 1.8 3.20 474 295 A 539 ALA HB% A 540 GLU HBx 1.0 1.8 4.40 475 295 A 539 ALA HB% A 540 GLU HBy 1.0 1.8 4.40 476 296 A 539 ALA H A 540 GLU HGx 1.0 1.8 4.40 477 296 A 539 ALA H A 540 GLU HGy 1.0 1.8 4.40 478 297 A 539 ALA HB% A 540 GLU H 1.0 1.8 4.00 479 298 A 539 ALA H A 540 GLU HBx 1.0 1.8 4.88 480 298 A 539 ALA H A 540 GLU HBy 1.0 1.8 4.88 481 299 A 539 ALA HB% A 541 GLY H 1.0 1.8 4.50 482 300 A 539 ALA H A 542 ILE HD1% 1.0 1.8 4.20 483 301 A 539 ALA H A 545 GLU HBx 1.0 1.8 4.30 484 301 A 539 ALA H A 545 GLU HBy 1.0 1.8 4.30 485 302 A 540 GLU H A 540 GLU HGx 1.0 1.8 4.10 486 302 A 540 GLU H A 540 GLU HGy 1.0 1.8 4.10 487 303 A 540 GLU H A 540 GLU HBx 1.0 1.8 3.80 488 303 A 540 GLU HBy A 540 GLU H 1.0 1.8 3.80 489 304 A 541 GLY H A 540 GLU HGx 1.0 1.8 4.30 490 304 A 540 GLU HGy A 541 GLY H 1.0 1.8 4.30 491 305 A 541 GLY H A 540 GLU HBx 1.0 1.8 4.00 492 305 A 540 GLU HBy A 541 GLY H 1.0 1.8 4.00 493 306 A 540 GLU H A 542 ILE HD1% 1.0 1.8 4.60 494 307 A 542 ILE HD1% A 540 GLU HA 1.0 1.8 5.32 495 308 A 540 GLU H A 545 GLU HBx 1.0 1.8 4.20 496 308 A 540 GLU H A 545 GLU HBy 1.0 1.8 4.20 497 309 A 541 GLY H A 542 ILE HD1% 1.0 1.8 4.60 498 310 A 541 GLY H A 542 ILE H 1.0 1.8 3.70 499 311 A 543 TYR H A 541 GLY HAx 1.0 1.8 4.10 500 311 A 543 TYR H A 541 GLY HAy 1.0 1.8 4.10 501 312 A 542 ILE HD1% A 542 ILE H 1.0 1.8 3.70 502 313 A 542 ILE H A 542 ILE HG2% 1.0 1.8 4.30 503 314 A 542 ILE HD1% A 542 ILE HA 1.0 1.8 4.40 504 315 A 542 ILE H A 542 ILE HG1y 1.0 1.8 3.90 505 315 A 542 ILE H A 542 ILE HG1x 1.0 1.8 3.90 506 316 A 542 ILE H A 542 ILE HB 1.0 1.8 3.80 507 317 A 543 TYR H A 542 ILE HG1y 1.0 1.8 4.30 508 317 A 543 TYR H A 542 ILE HG1x 1.0 1.8 4.30 509 318 A 543 TYR H A 542 ILE HB 1.0 1.8 4.30 510 319 A 543 TYR H A 542 ILE H 1.0 1.8 4.30 511 320 A 542 ILE H A 543 TYR HD% 1.0 1.8 4.05 512 321 A 543 TYR H A 542 ILE HD1% 1.0 1.8 3.90 513 322 A 542 ILE HG1x A 545 GLU HGx 1.0 1.8 4.50 514 322 A 542 ILE HG1y A 545 GLU HGx 1.0 1.8 4.50 515 322 A 545 GLU HGy A 542 ILE HG1y 1.0 1.8 4.50 516 322 A 542 ILE HG1x A 545 GLU HGy 1.0 1.8 4.50 517 323 A 543 TYR H A 543 TYR HE% 1.0 1.8 5.30 518 324 A 543 TYR H A 543 TYR HD% 1.0 1.8 4.00 519 325 A 543 TYR H A 543 TYR HBx 1.0 1.8 3.86 520 325 A 543 TYR H A 543 TYR HBy 1.0 1.8 3.86 521 326 A 543 TYR HD% A 543 TYR HA 1.0 1.8 4.30 522 327 A 543 TYR HE% A 544 ILE HD1% 1.0 1.8 3.50 523 328 A 543 TYR HE% A 544 ILE H 1.0 1.8 4.40 524 329 A 543 TYR HD% A 544 ILE HG1x 1.0 1.8 4.40 525 329 A 544 ILE HG1y A 543 TYR HD% 1.0 1.8 4.40 526 330 A 544 ILE H A 543 TYR HBx 1.0 1.8 4.60 527 330 A 543 TYR HBy A 544 ILE H 1.0 1.8 4.60 528 331 A 543 TYR HD% A 544 ILE H 1.0 1.8 4.90 529 332 A 543 TYR HD% A 544 ILE HD1% 1.0 1.8 3.70 530 333 A 543 TYR H A 544 ILE HG1x 1.0 1.8 5.33 531 333 A 543 TYR H A 544 ILE HG1y 1.0 1.8 5.33 532 334 A 543 TYR H A 545 GLU HGx 1.0 1.8 4.30 533 334 A 543 TYR H A 545 GLU HGy 1.0 1.8 4.30 534 335 A 543 TYR H A 545 GLU HBx 1.0 1.8 4.90 535 335 A 543 TYR H A 545 GLU HBy 1.0 1.8 4.90 536 336 A 543 TYR HD% A 545 GLU HGx 1.0 1.8 4.40 537 336 A 543 TYR HD% A 545 GLU HGy 1.0 1.8 4.40 538 337 A 544 ILE HD1% A 544 ILE HA 1.0 1.8 4.40 539 338 A 544 ILE H A 544 ILE HG1x 1.0 1.8 3.70 540 338 A 544 ILE HG1y A 544 ILE H 1.0 1.8 3.70 541 339 A 544 ILE H A 544 ILE HB 1.0 1.8 4.00 542 340 A 544 ILE H A 544 ILE HG1x 1.0 1.8 4.60 543 341 A 544 ILE HG1y A 544 ILE H 1.0 1.8 4.60 544 342 A 544 ILE H A 545 GLU HGx 1.0 1.8 4.80 545 342 A 545 GLU HGy A 544 ILE H 1.0 1.8 4.80 546 343 A 544 ILE HD1% A 545 GLU H 1.0 1.8 4.13 547 344 A 545 GLU H A 545 GLU HBx 1.0 1.8 3.70 548 344 A 545 GLU HBy A 545 GLU H 1.0 1.8 3.70 549 345 A 545 GLU HA A 545 GLU HGx 1.0 1.8 4.10 550 345 A 545 GLU HGy A 545 GLU HA 1.0 1.8 4.10 551 346 A 545 GLU H A 545 GLU HGx 1.0 1.8 4.59 552 346 A 545 GLU HGy A 545 GLU H 1.0 1.8 4.59 553 347 A 545 GLU HBx A 546 GLY HAx 1.0 1.8 4.60 554 347 A 545 GLU HBy A 546 GLY HAx 1.0 1.8 4.60 555 347 A 546 GLY HAy A 545 GLU HBx 1.0 1.8 4.60 556 347 A 545 GLU HBy A 546 GLY HAy 1.0 1.8 4.60 557 348 A 546 GLY H A 545 GLU HGx 1.0 1.8 4.50 558 348 A 545 GLU HGy A 546 GLY H 1.0 1.8 4.50 559 349 A 546 GLY H A 545 GLU HBx 1.0 1.8 4.00 560 349 A 545 GLU HBy A 546 GLY H 1.0 1.8 4.00 561 350 A 545 GLU H A 547 LEU HDx% 1.0 1.8 4.20 562 350 A 547 LEU HDy% A 545 GLU H 1.0 1.8 4.20 563 351 A 545 GLU HGx A 547 LEU HDx% 1.0 1.8 3.90 564 351 A 545 GLU HGy A 547 LEU HDx% 1.0 1.8 3.90 565 351 A 547 LEU HDy% A 545 GLU HGx 1.0 1.8 3.90 566 351 A 547 LEU HDy% A 545 GLU HGy 1.0 1.8 3.90 567 352 A 545 GLU HBx A 547 LEU HBx 1.0 1.8 3.41 568 352 A 545 GLU HBy A 547 LEU HBx 1.0 1.8 3.41 569 352 A 547 LEU HBy A 545 GLU HBx 1.0 1.8 3.41 570 352 A 547 LEU HBy A 545 GLU HBy 1.0 1.8 3.41 571 353 A 545 GLU HBx A 547 LEU HDx% 1.0 1.8 4.30 572 353 A 545 GLU HBy A 547 LEU HDx% 1.0 1.8 4.30 573 353 A 547 LEU HDy% A 545 GLU HBx 1.0 1.8 4.30 574 353 A 547 LEU HDy% A 545 GLU HBy 1.0 1.8 4.30 575 354 A 545 GLU HA A 547 LEU HDx% 1.0 1.8 5.04 576 354 A 547 LEU HDy% A 545 GLU HA 1.0 1.8 5.04 577 355 A 546 GLY H A 547 LEU HG 1.0 1.8 4.70 578 356 A 546 GLY H A 547 LEU HDx% 1.0 1.8 4.40 579 356 A 547 LEU HDy% A 546 GLY H 1.0 1.8 4.40 580 357 A 546 GLY H A 547 LEU H 1.0 1.8 4.10 581 358 A 546 GLY HAy A 547 LEU HBx 1.0 1.8 4.80 582 358 A 546 GLY HAx A 547 LEU HBx 1.0 1.8 4.80 583 358 A 547 LEU HBy A 546 GLY HAx 1.0 1.8 4.80 584 358 A 547 LEU HBy A 546 GLY HAy 1.0 1.8 4.80 585 359 A 547 LEU H A 546 GLY HAx 1.0 1.8 3.31 586 359 A 546 GLY HAy A 547 LEU H 1.0 1.8 3.31 587 360 A 548 MET H A 546 GLY HAx 1.0 1.8 5.00 588 360 A 546 GLY HAy A 548 MET H 1.0 1.8 5.00 589 361 A 547 LEU HG A 547 LEU H 1.0 1.8 3.80 590 362 A 547 LEU H A 547 LEU HBx 1.0 1.8 3.90 591 362 A 547 LEU HBy A 547 LEU H 1.0 1.8 3.90 592 363 A 547 LEU H A 547 LEU HDx% 1.0 1.8 3.80 593 363 A 547 LEU HDy% A 547 LEU H 1.0 1.8 3.80 594 364 A 547 LEU HG A 548 MET H 1.0 1.8 4.30 595 365 A 548 MET HE% A 547 LEU HDx% 1.0 1.8 4.10 596 365 A 547 LEU HDy% A 548 MET HE% 1.0 1.8 4.10 597 366 A 547 LEU HDx% A 548 MET HGx 1.0 1.8 5.00 598 366 A 547 LEU HDy% A 548 MET HGx 1.0 1.8 5.00 599 367 A 547 LEU HDy% A 548 MET HGy 1.0 1.8 5.00 600 367 A 548 MET HGy A 547 LEU HDx% 1.0 1.8 5.00 601 368 A 548 MET HE% A 547 LEU HA 1.0 1.8 4.20 602 369 A 547 LEU HDx% A 548 MET HGx 1.0 1.8 4.30 603 369 A 547 LEU HDy% A 548 MET HGx 1.0 1.8 4.30 604 369 A 548 MET HGy A 547 LEU HDx% 1.0 1.8 4.30 605 369 A 547 LEU HDy% A 548 MET HGy 1.0 1.8 4.30 606 370 A 548 MET H A 547 LEU HBx 1.0 1.8 4.40 607 370 A 547 LEU HBy A 548 MET H 1.0 1.8 4.40 608 371 A 548 MET H A 547 LEU HDx% 1.0 1.8 4.30 609 371 A 547 LEU HDy% A 548 MET H 1.0 1.8 4.30 610 372 A 547 LEU HA A 549 HIS H 1.0 1.8 4.20 611 373 A 549 HIS H A 547 LEU HDx% 1.0 1.8 3.14 612 373 A 547 LEU HDy% A 549 HIS H 1.0 1.8 3.14 613 374 A 550 ASN HD2x A 547 LEU HDx% 1.0 1.8 4.20 614 374 A 547 LEU HDy% A 550 ASN HD2x 1.0 1.8 4.20 615 375 A 550 ASN HD2y A 547 LEU HDx% 1.0 1.8 4.20 616 375 A 547 LEU HDy% A 550 ASN HD2y 1.0 1.8 4.20 617 376 A 547 LEU HA A 550 ASN H 1.0 1.8 4.70 618 377 A 548 MET H A 548 MET HGx 1.0 1.8 4.00 619 377 A 548 MET H A 548 MET HGy 1.0 1.8 4.00 620 378 A 548 MET H A 548 MET HGy 1.0 1.8 4.50 621 379 A 548 MET H A 548 MET HBx 1.0 1.8 3.80 622 379 A 548 MET H A 548 MET HBy 1.0 1.8 3.80 623 380 A 548 MET H A 548 MET HGx 1.0 1.8 4.50 624 381 A 548 MET HE% A 549 HIS H 1.0 1.8 4.50 625 382 A 549 HIS H A 548 MET HBx 1.0 1.8 4.20 626 382 A 549 HIS H A 548 MET HBy 1.0 1.8 4.20 627 383 A 548 MET H A 549 HIS HE1 1.0 1.8 4.60 628 384 A 548 MET HE% A 549 HIS HD2 1.0 1.8 4.50 629 385 A 550 ASN H A 548 MET HBx 1.0 1.8 4.70 630 385 A 550 ASN H A 548 MET HBy 1.0 1.8 4.70 631 386 A 550 ASN HD2y A 548 MET HBx 1.0 1.8 4.80 632 386 A 550 ASN HD2x A 548 MET HBx 1.0 1.8 4.80 633 386 A 550 ASN HD2y A 548 MET HBy 1.0 1.8 4.80 634 386 A 550 ASN HD2x A 548 MET HBy 1.0 1.8 4.80 635 387 A 549 HIS H A 549 HIS HD2 1.0 1.8 5.10 636 388 A 549 HIS H A 549 HIS HBx 1.0 1.8 4.20 637 389 A 549 HIS H A 549 HIS HBy 1.0 1.8 4.20 638 390 A 549 HIS H A 549 HIS HBx 1.0 1.8 3.70 639 390 A 549 HIS H A 549 HIS HBy 1.0 1.8 3.70 640 391 A 549 HIS H A 549 HIS HE1 1.0 1.8 5.09 641 392 A 549 HIS H A 550 ASN H 1.0 1.8 4.10 642 393 A 550 ASN H A 549 HIS HBx 1.0 1.8 4.80 643 394 A 550 ASN H A 549 HIS HBy 1.0 1.8 4.80 644 395 A 550 ASN H A 549 HIS HBx 1.0 1.8 4.20 645 395 A 550 ASN H A 549 HIS HBy 1.0 1.8 4.20 646 396 A 550 ASN HA A 549 HIS H 1.0 1.8 4.53 647 397 A 549 HIS H A 551 GLN HGx 1.0 1.8 4.90 648 397 A 549 HIS H A 551 GLN HGy 1.0 1.8 4.90 649 398 A 550 ASN HD2x A 550 ASN HBx 1.0 1.8 3.70 650 398 A 550 ASN HD2x A 550 ASN HBy 1.0 1.8 3.70 651 399 A 550 ASN HD2x A 550 ASN HBy 1.0 1.8 3.20 652 399 A 550 ASN HD2y A 550 ASN HBx 1.0 1.8 3.20 653 399 A 550 ASN HD2x A 550 ASN HBx 1.0 1.8 3.20 654 399 A 550 ASN HD2y A 550 ASN HBy 1.0 1.8 3.20 655 400 A 550 ASN HD2y A 550 ASN H 1.0 1.8 5.10 656 400 A 550 ASN HD2x A 550 ASN H 1.0 1.8 5.10 657 401 A 550 ASN HD2y A 550 ASN HBx 1.0 1.8 3.70 658 401 A 550 ASN HD2y A 550 ASN HBy 1.0 1.8 3.70 659 402 A 550 ASN H A 550 ASN HBx 1.0 1.8 3.70 660 402 A 550 ASN H A 550 ASN HBy 1.0 1.8 3.70 661 403 A 550 ASN HA A 551 GLN H 1.0 1.8 3.50 662 404 A 551 GLN H A 550 ASN HBx 1.0 1.8 4.30 663 404 A 550 ASN HBy A 551 GLN H 1.0 1.8 4.30 664 405 A 550 ASN H A 551 GLN HGx 1.0 1.8 4.60 665 405 A 550 ASN H A 551 GLN HGy 1.0 1.8 4.60 666 406 A 550 ASN HA A 551 GLN HGx 1.0 1.8 3.90 667 406 A 550 ASN HA A 551 GLN HGy 1.0 1.8 3.90 668 407 A 550 ASN H A 551 GLN H 1.0 1.8 4.20 669 408 A 551 GLN HE2x A 551 GLN HBx 1.0 1.8 4.30 670 408 A 551 GLN HE2y A 551 GLN HBx 1.0 1.8 4.30 671 408 A 551 GLN HBy A 551 GLN HE2y 1.0 1.8 4.30 672 408 A 551 GLN HBy A 551 GLN HE2x 1.0 1.8 4.30 673 409 A 551 GLN H A 551 GLN HGx 1.0 1.8 4.00 674 409 A 551 GLN HGy A 551 GLN H 1.0 1.8 4.00 675 410 A 551 GLN H A 551 GLN HBy 1.0 1.8 4.20 676 411 A 551 GLN HE2y A 551 GLN HGx 1.0 1.8 3.90 677 411 A 551 GLN HGy A 551 GLN HE2y 1.0 1.8 3.90 678 412 A 551 GLN HE2x A 551 GLN HGx 1.0 1.8 3.90 679 412 A 551 GLN HGy A 551 GLN HE2x 1.0 1.8 3.90 680 413 A 551 GLN H A 551 GLN HBx 1.0 1.8 4.20 681 414 A 551 GLN H A 551 GLN HBx 1.0 1.8 3.50 682 414 A 551 GLN H A 551 GLN HBy 1.0 1.8 3.50 683 415 A 551 GLN HE2x A 551 GLN HGx 1.0 1.8 3.20 684 415 A 551 GLN HGy A 551 GLN HE2y 1.0 1.8 3.20 685 415 A 551 GLN HGy A 551 GLN HE2x 1.0 1.8 3.20 686 415 A 551 GLN HE2y A 551 GLN HGx 1.0 1.8 3.20 687 416 A 551 GLN HA A 551 GLN HGx 1.0 1.8 4.00 688 416 A 551 GLN HA A 551 GLN HGy 1.0 1.8 4.00 689 417 A 552 ASP H A 551 GLN HBy 1.0 1.8 4.30 690 418 A 552 ASP H A 551 GLN HA 1.0 1.8 3.60 691 419 A 552 ASP H A 551 GLN H 1.0 1.8 3.70 692 420 A 552 ASP H A 551 GLN HBx 1.0 1.8 4.30 693 421 A 552 ASP H A 551 GLN HBx 1.0 1.8 3.70 694 421 A 552 ASP H A 551 GLN HBy 1.0 1.8 3.70 695 422 A 552 ASP H A 551 GLN HGx 1.0 1.8 4.20 696 422 A 552 ASP H A 551 GLN HGy 1.0 1.8 4.20 697 423 A 553 GLY H A 551 GLN HA 1.0 1.8 4.30 698 424 A 555 ILE HD1% A 551 GLN HE2y 1.0 1.8 4.40 699 424 A 555 ILE HD1% A 551 GLN HE2x 1.0 1.8 4.40 700 425 A 555 ILE HD1% A 551 GLN HE2y 1.0 1.8 5.10 701 426 A 555 ILE HD1% A 551 GLN HE2x 1.0 1.8 5.10 702 427 A 555 ILE HD1% A 551 GLN HGx 1.0 1.8 4.30 703 427 A 555 ILE HD1% A 551 GLN HGy 1.0 1.8 4.30 704 428 A 552 ASP H A 552 ASP HBx 1.0 1.8 3.40 705 428 A 552 ASP H A 552 ASP HBy 1.0 1.8 3.40 706 429 A 552 ASP H A 553 GLY HAx 1.0 1.8 4.50 707 429 A 552 ASP H A 553 GLY HAy 1.0 1.8 4.50 708 430 A 553 GLY H A 552 ASP HBx 1.0 1.8 4.00 709 430 A 553 GLY H A 552 ASP HBy 1.0 1.8 4.00 710 431 A 553 GLY H A 552 ASP HA 1.0 1.8 3.60 711 432 A 554 LEU HG A 552 ASP H 1.0 1.8 4.90 712 433 A 555 ILE HD1% A 552 ASP H 1.0 1.8 4.30 713 434 A 553 GLY H A 554 LEU HBx 1.0 1.8 5.00 714 434 A 553 GLY H A 554 LEU HBy 1.0 1.8 5.00 715 435 A 553 GLY H A 554 LEU HDx% 1.0 1.8 4.30 716 435 A 554 LEU HDy% A 553 GLY H 1.0 1.8 4.30 717 436 A 554 LEU HG A 553 GLY H 1.0 1.8 5.00 718 437 A 553 GLY H A 556 CYS HBx 1.0 1.8 4.50 719 437 A 556 CYS HBy A 553 GLY H 1.0 1.8 4.50 720 438 A 556 CYS HBy A 553 GLY H 1.0 1.8 5.20 721 439 A 553 GLY H A 556 CYS HBx 1.0 1.8 5.20 722 440 A 554 LEU HG A 554 LEU H 1.0 1.8 3.90 723 441 A 554 LEU H A 554 LEU HBx 1.0 1.8 4.00 724 441 A 554 LEU HBy A 554 LEU H 1.0 1.8 4.00 725 442 A 554 LEU HA A 554 LEU HDx% 1.0 1.8 3.80 726 442 A 554 LEU HDy% A 554 LEU HA 1.0 1.8 3.80 727 443 A 554 LEU H A 554 LEU HDx% 1.0 1.8 4.20 728 443 A 554 LEU HDy% A 554 LEU H 1.0 1.8 4.20 729 444 A 554 LEU H A 555 ILE HG1y 1.0 1.8 5.34 730 444 A 555 ILE HG1x A 554 LEU H 1.0 1.8 5.34 731 445 A 554 LEU HBy A 555 ILE HG1y 1.0 1.8 3.59 732 445 A 554 LEU HBx A 555 ILE HG1y 1.0 1.8 3.59 733 445 A 555 ILE HG1x A 554 LEU HBx 1.0 1.8 3.59 734 445 A 555 ILE HG1x A 554 LEU HBy 1.0 1.8 3.59 735 446 A 554 LEU HDx% A 560 GLN HBx 1.0 1.8 3.77 736 446 A 554 LEU HDy% A 560 GLN HBx 1.0 1.8 3.77 737 446 A 560 GLN HBy A 554 LEU HDx% 1.0 1.8 3.77 738 446 A 554 LEU HDy% A 560 GLN HBy 1.0 1.8 3.77 739 447 A 555 ILE HG21 A 554 LEU HBx 1.0 1.8 4.80 740 447 A 554 LEU HBy A 555 ILE HG21 1.0 1.8 4.80 741 448 A 555 ILE H A 554 LEU HBx 1.0 1.8 4.30 742 448 A 554 LEU HBy A 555 ILE H 1.0 1.8 4.30 743 449 A 555 ILE H A 555 ILE HB 1.0 1.8 4.00 744 450 A 555 ILE H A 555 ILE HG1y 1.0 1.8 4.00 745 450 A 555 ILE HG1x A 555 ILE H 1.0 1.8 4.00 746 451 A 555 ILE HD1% A 555 ILE H 1.0 1.8 3.80 747 452 A 555 ILE HG21 A 555 ILE H 1.0 1.8 4.50 748 453 A 555 ILE HD1% A 555 ILE HB 1.0 1.8 3.60 749 454 A 555 ILE HD1% A 556 CYS H 1.0 1.8 4.00 750 455 A 556 CYS H A 555 ILE HG1y 1.0 1.8 4.60 751 455 A 556 CYS H A 555 ILE HG1x 1.0 1.8 4.60 752 456 A 555 ILE H A 556 CYS HBx 1.0 1.8 5.15 753 456 A 556 CYS HBy A 555 ILE H 1.0 1.8 5.15 754 457 A 555 ILE H A 557 GLY H 1.0 1.8 4.10 755 458 A 556 CYS HBy A 557 GLY H 1.0 1.8 4.80 756 459 A 557 GLY H A 556 CYS HBx 1.0 1.8 4.20 757 459 A 556 CYS HBy A 557 GLY H 1.0 1.8 4.20 758 460 A 557 GLY H A 556 CYS HBx 1.0 1.8 4.80 759 461 A 556 CYS HBy A 557 GLY HAx 1.0 1.8 4.19 760 461 A 556 CYS HBx A 557 GLY HAx 1.0 1.8 4.19 761 461 A 557 GLY HAy A 556 CYS HBx 1.0 1.8 4.19 762 461 A 556 CYS HBy A 557 GLY HAy 1.0 1.8 4.19 763 462 A 556 CYS HBx A 560 GLN HGx 1.0 1.8 4.20 764 462 A 556 CYS HBy A 560 GLN HGx 1.0 1.8 4.20 765 462 A 560 GLN HGy A 556 CYS HBx 1.0 1.8 4.20 766 462 A 556 CYS HBy A 560 GLN HGy 1.0 1.8 4.20 767 463 A 557 GLY H A 558 LEU HBx 1.0 1.8 5.50 768 463 A 557 GLY H A 558 LEU HBy 1.0 1.8 5.50 769 464 A 557 GLY H A 558 LEU H 1.0 1.8 3.90 770 465 A 557 GLY H A 558 LEU HDx% 1.0 1.8 4.40 771 465 A 558 LEU HDy% A 557 GLY H 1.0 1.8 4.40 772 466 A 557 GLY HAy A 558 LEU HDx% 1.0 1.8 4.52 773 466 A 557 GLY HAx A 558 LEU HDx% 1.0 1.8 4.52 774 466 A 558 LEU HDy% A 557 GLY HAx 1.0 1.8 4.52 775 466 A 558 LEU HDy% A 557 GLY HAy 1.0 1.8 4.52 776 467 A 558 LEU HG A 557 GLY HAx 1.0 1.8 4.70 777 467 A 557 GLY HAy A 558 LEU HG 1.0 1.8 4.70 778 468 A 558 LEU H A 557 GLY HAx 1.0 1.8 3.52 779 468 A 557 GLY HAy A 558 LEU H 1.0 1.8 3.52 780 469 A 558 LEU HG A 557 GLY HAx 1.0 1.8 4.26 781 469 A 557 GLY HAy A 558 LEU HG 1.0 1.8 4.26 782 470 A 558 LEU H A 558 LEU HG 1.0 1.8 3.80 783 471 A 558 LEU H A 558 LEU HDx% 1.0 1.8 3.60 784 471 A 558 LEU HDy% A 558 LEU H 1.0 1.8 3.60 785 472 A 558 LEU HBx A 558 LEU HDx% 1.0 1.8 3.60 786 472 A 558 LEU HBy A 558 LEU HDx% 1.0 1.8 3.60 787 472 A 558 LEU HDy% A 558 LEU HBx 1.0 1.8 3.60 788 472 A 558 LEU HDy% A 558 LEU HBy 1.0 1.8 3.60 789 473 A 558 LEU HA A 558 LEU HDx% 1.0 1.8 3.60 790 473 A 558 LEU HA A 558 LEU HDy% 1.0 1.8 3.60 791 474 A 558 LEU HA A 558 LEU HBx 1.0 1.8 2.95 792 474 A 558 LEU HA A 558 LEU HBy 1.0 1.8 2.95 793 475 A 558 LEU H A 558 LEU HBx 1.0 1.8 3.40 794 475 A 558 LEU HBy A 558 LEU H 1.0 1.8 3.40 795 476 A 558 LEU H A 559 ARG HGy 1.0 1.8 4.50 796 477 A 559 ARG H A 558 LEU HDx% 1.0 1.8 4.10 797 477 A 558 LEU HDy% A 559 ARG H 1.0 1.8 4.10 798 478 A 558 LEU H A 559 ARG HGx 1.0 1.8 4.50 799 479 A 559 ARG H A 558 LEU HBx 1.0 1.8 3.60 800 479 A 558 LEU HBy A 559 ARG H 1.0 1.8 3.60 801 480 A 558 LEU HDy% A 559 ARG HDx 1.0 1.8 4.50 802 480 A 558 LEU HDx% A 559 ARG HDx 1.0 1.8 4.50 803 480 A 559 ARG HDy A 558 LEU HDx% 1.0 1.8 4.50 804 480 A 558 LEU HDy% A 559 ARG HDy 1.0 1.8 4.50 805 481 A 558 LEU HDy% A 559 ARG HGy 1.0 1.8 3.30 806 481 A 558 LEU HDx% A 559 ARG HGy 1.0 1.8 3.30 807 481 A 559 ARG HGx A 558 LEU HDx% 1.0 1.8 3.30 808 481 A 558 LEU HDy% A 559 ARG HGx 1.0 1.8 3.30 809 482 A 558 LEU H A 559 ARG H 1.0 1.8 3.81 810 483 A 560 GLN HE2x A 558 LEU HDx% 1.0 1.8 5.10 811 483 A 558 LEU HDy% A 560 GLN HE2x 1.0 1.8 5.10 812 484 A 558 LEU HDy% A 560 GLN HE2y 1.0 1.8 4.30 813 484 A 560 GLN HE2y A 558 LEU HDx% 1.0 1.8 4.30 814 484 A 560 GLN HE2x A 558 LEU HDx% 1.0 1.8 4.30 815 484 A 558 LEU HDy% A 560 GLN HE2x 1.0 1.8 4.30 816 485 A 558 LEU H A 560 GLN HGx 1.0 1.8 4.20 817 485 A 560 GLN HGy A 558 LEU H 1.0 1.8 4.20 818 486 A 560 GLN H A 558 LEU HDx% 1.0 1.8 5.30 819 486 A 558 LEU HDy% A 560 GLN H 1.0 1.8 5.30 820 487 A 558 LEU HDy% A 560 GLN HGx 1.0 1.8 5.26 821 487 A 558 LEU HDx% A 560 GLN HGx 1.0 1.8 5.26 822 487 A 560 GLN HGy A 558 LEU HDx% 1.0 1.8 5.26 823 487 A 558 LEU HDy% A 560 GLN HGy 1.0 1.8 5.26 824 488 A 560 GLN HE2x A 558 LEU HBx 1.0 1.8 4.60 825 488 A 558 LEU HBy A 560 GLN HE2y 1.0 1.8 4.60 826 488 A 558 LEU HBy A 560 GLN HE2x 1.0 1.8 4.60 827 488 A 560 GLN HE2y A 558 LEU HBx 1.0 1.8 4.60 828 489 A 560 GLN HE2y A 558 LEU HBx 1.0 1.8 5.30 829 489 A 558 LEU HBy A 560 GLN HE2y 1.0 1.8 5.30 830 490 A 560 GLN HE2y A 558 LEU HDx% 1.0 1.8 5.10 831 490 A 558 LEU HDy% A 560 GLN HE2y 1.0 1.8 5.10 832 491 A 560 GLN HE2x A 558 LEU HBx 1.0 1.8 5.30 833 491 A 558 LEU HBy A 560 GLN HE2x 1.0 1.8 5.30 834 492 A 559 ARG HDy A 559 ARG HH1% 1.0 1.8 4.50 835 492 A 559 ARG HDx A 559 ARG HH1% 1.0 1.8 4.50 836 492 A 559 ARG HH2% A 559 ARG HDx 1.0 1.8 4.50 837 492 A 559 ARG HDy A 559 ARG HH2% 1.0 1.8 4.50 838 493 A 559 ARG HBx A 559 ARG HDx 1.0 1.8 4.00 839 493 A 559 ARG HBy A 559 ARG HDx 1.0 1.8 4.00 840 493 A 559 ARG HDy A 559 ARG HBx 1.0 1.8 4.00 841 493 A 559 ARG HDy A 559 ARG HBy 1.0 1.8 4.00 842 494 A 559 ARG H A 559 ARG HGy 1.0 1.8 3.70 843 494 A 559 ARG H A 559 ARG HGx 1.0 1.8 3.70 844 495 A 559 ARG H A 559 ARG HBx 1.0 1.8 4.10 845 495 A 559 ARG H A 559 ARG HBy 1.0 1.8 4.10 846 496 A 559 ARG H A 559 ARG HDx 1.0 1.8 5.00 847 496 A 559 ARG H A 559 ARG HDy 1.0 1.8 5.00 848 497 A 559 ARG HA A 559 ARG HDx 1.0 1.8 4.40 849 497 A 559 ARG HDy A 559 ARG HA 1.0 1.8 4.40 850 498 A 559 ARG HA A 559 ARG HGy 1.0 1.8 3.73 851 498 A 559 ARG HGx A 559 ARG HA 1.0 1.8 3.73 852 499 A 560 GLN H A 559 ARG HBx 1.0 1.8 3.99 853 499 A 560 GLN H A 559 ARG HBy 1.0 1.8 3.99 854 500 A 560 GLN H A 559 ARG HGy 1.0 1.8 4.10 855 500 A 559 ARG HGx A 560 GLN H 1.0 1.8 4.10 856 501 A 559 ARG H A 560 GLN HBx 1.0 1.8 4.90 857 501 A 560 GLN HBy A 559 ARG H 1.0 1.8 4.90 858 502 A 559 ARG HA A 560 GLN HBx 1.0 1.8 5.34 859 502 A 560 GLN HBy A 559 ARG HA 1.0 1.8 5.34 860 503 A 559 ARG H A 560 GLN H 1.0 1.8 3.60 861 504 A 560 GLN H A 559 ARG HDx 1.0 1.8 5.50 862 504 A 559 ARG HDy A 560 GLN H 1.0 1.8 5.50 863 505 A 560 GLN H A 559 ARG HA 1.0 1.8 3.20 864 506 A 560 GLN H A 560 GLN HBx 1.0 1.8 3.10 865 506 A 560 GLN HBy A 560 GLN H 1.0 1.8 3.10 866 507 A 560 GLN HBy A 560 GLN H 1.0 1.8 3.80 867 508 A 560 GLN HGy A 560 GLN HE2y 1.0 1.8 3.10 868 508 A 560 GLN HE2y A 560 GLN HGx 1.0 1.8 3.10 869 508 A 560 GLN HGy A 560 GLN HE2x 1.0 1.8 3.10 870 508 A 560 GLN HE2x A 560 GLN HGx 1.0 1.8 3.10 871 509 A 560 GLN HE2y A 560 GLN HBx 1.0 1.8 3.80 872 509 A 560 GLN HE2x A 560 GLN HBx 1.0 1.8 3.80 873 509 A 560 GLN HBy A 560 GLN HE2y 1.0 1.8 3.80 874 509 A 560 GLN HBy A 560 GLN HE2x 1.0 1.8 3.80 875 510 A 560 GLN H A 560 GLN HE2y 1.0 1.8 4.74 876 510 A 560 GLN HE2x A 560 GLN H 1.0 1.8 4.74 877 511 A 560 GLN HE2y A 560 GLN HA 1.0 1.8 5.10 878 511 A 560 GLN HE2x A 560 GLN HA 1.0 1.8 5.10 879 512 A 560 GLN H A 560 GLN HGx 1.0 1.8 3.80 880 512 A 560 GLN HGy A 560 GLN H 1.0 1.8 3.80 881 513 A 560 GLN HE2y A 560 GLN HGx 1.0 1.8 3.90 882 513 A 560 GLN HGy A 560 GLN HE2y 1.0 1.8 3.90 883 514 A 560 GLN HE2x A 560 GLN HGx 1.0 1.8 3.90 884 514 A 560 GLN HGy A 560 GLN HE2x 1.0 1.8 3.90 885 515 A 560 GLN HA A 560 GLN HGx 1.0 1.8 4.00 886 515 A 560 GLN HGy A 560 GLN HA 1.0 1.8 4.00 887 516 A 560 GLN H A 560 GLN HBx 1.0 1.8 3.80 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _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 530 ALA C A 531 TRP N A 531 TRP CA A 531 TRP C 1.0 -132.5 -72.5 PHI 2 2 A 532 ILE C A 533 PRO N A 533 PRO CA A 533 PRO C 1.0 -85.9 -25.9 PHI 3 3 A 534 TYR C A 535 PHE N A 535 PHE CA A 535 PHE C 1.0 -120.1 -60.1 PHI 4 4 A 536 GLY C A 538 ALA N A 538 ALA CA A 538 ALA C 1.0 -99.7 -39.7 . 5 5 A 538 ALA C A 539 ALA N A 539 ALA CA A 539 ALA C 1.0 -98.8 -38.8 PHI 6 6 A 541 GLY C A 542 ILE N A 542 ILE CA A 542 ILE C 1.0 -101.4 -41.4 PHI 7 7 A 543 TYR C A 544 ILE N A 544 ILE CA A 544 ILE C 1.0 -94.4 -34.4 PHI 8 8 A 553 GLY C A 554 LEU N A 554 LEU CA A 554 LEU C 1.0 -109.6 -49.6 PHI 9 9 A 554 LEU C A 555 ILE N A 555 ILE CA A 555 ILE C 1.0 -109.8 -49.8 PHI 10 10 A 531 TRP N A 531 TRP CA A 531 TRP C A 532 ILE N 1.0 -30.8 29.2 PSI 11 11 A 534 TYR N A 534 TYR CA A 534 TYR C A 535 PHE N 1.0 -56.1 3.9 PSI 12 12 A 535 PHE N A 535 PHE CA A 535 PHE C A 536 GLY N 1.0 -40.0 20.0 PSI 13 13 A 536 GLY N A 536 GLY CA A 536 GLY C A 538 ALA N 1.0 -62.9 -2.9 . 14 14 A 538 ALA N A 538 ALA CA A 538 ALA C A 539 ALA N 1.0 -57.6 2.4 PSI 15 15 A 539 ALA N A 539 ALA CA A 539 ALA C A 540 GLU N 1.0 -61.9 -1.9 PSI 16 16 A 542 ILE N A 542 ILE CA A 542 ILE C A 543 TYR N 1.0 -60.7 -0.7 PSI 17 17 A 544 ILE N A 544 ILE CA A 544 ILE C A 545 GLU N 1.0 -70.3 -10.3 PSI 18 18 A 554 LEU N A 554 LEU CA A 554 LEU C A 555 ILE N 1.0 -54.4 5.6 PSI 19 19 A 555 ILE N A 555 ILE CA A 555 ILE C A 556 CYS N 1.0 -48.8 11.2 PSI stop_ save_