data_nef_c19052_2m5f save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 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 ALA 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 ALA 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 H1 H 1 7.936 0.000 A 507 ALA HA H 1 4.003 0.007 A 507 ALA HB% H 1 1.397 0.007 A 507 ALA C C 13 176.655 0.000 A 507 ALA CA C 13 51.870 0.236 A 507 ALA CB C 13 19.392 0.165 A 508 GLN H H 1 8.558 0.011 A 508 GLN HA H 1 4.590 0.010 A 508 GLN HBx H 1 1.836 0.000 A 508 GLN HBy H 1 1.836 0.000 A 508 GLN CA C 13 53.781 0.128 A 508 GLN CB C 13 29.074 0.246 A 508 GLN N N 15 120.688 0.011 A 509 PRO HA H 1 4.322 0.008 A 509 PRO HBx H 1 2.176 0.006 A 509 PRO HBy H 1 2.176 0.006 A 509 PRO HDx H 1 3.571 0.014 A 509 PRO HDy H 1 3.571 0.014 A 509 PRO HGx H 1 1.873 0.029 A 509 PRO HGy H 1 1.873 0.029 A 509 PRO C C 13 173.716 0.000 A 509 PRO CA C 13 63.284 0.271 A 509 PRO CB C 13 32.273 0.295 A 509 PRO CD C 13 50.880 0.118 A 509 PRO CG C 13 27.728 0.253 A 510 LYS H H 1 8.322 0.003 A 510 LYS HA H 1 4.205 0.003 A 510 LYS HBy H 1 1.702 0.014 A 510 LYS HBx H 1 1.633 0.012 A 510 LYS HDx H 1 1.575 0.005 A 510 LYS HDy H 1 1.575 0.005 A 510 LYS HGx H 1 1.353 0.006 A 510 LYS HGy H 1 1.353 0.006 A 510 LYS C C 13 173.988 0.000 A 510 LYS CA C 13 56.301 0.235 A 510 LYS CB C 13 33.419 0.228 A 510 LYS CD C 13 29.239 0.186 A 510 LYS CE C 13 41.724 0.000 A 510 LYS CG C 13 24.978 0.157 A 510 LYS N N 15 121.212 0.033 A 511 CYS H H 1 8.269 0.003 A 511 CYS HA H 1 4.558 0.010 A 511 CYS HBy H 1 3.080 0.007 A 511 CYS HBx H 1 2.957 0.039 A 511 CYS C C 13 176.901 0.000 A 511 CYS CA C 13 55.516 0.149 A 511 CYS CB C 13 41.836 0.063 A 511 CYS N N 15 119.342 0.097 A 512 ASN H H 1 8.605 0.009 A 512 ASN HA H 1 4.890 0.012 A 512 ASN HBy H 1 2.751 0.010 A 512 ASN HBx H 1 2.608 0.018 A 512 ASN HD2y H 1 7.535 0.000 A 512 ASN HD2x H 1 6.852 0.000 A 512 ASN CA C 13 51.259 0.240 A 512 ASN CB C 13 39.388 0.180 A 512 ASN N N 15 122.311 0.048 A 513 PRO HA H 1 4.295 0.012 A 513 PRO HBx H 1 2.087 0.015 A 513 PRO HBy H 1 2.087 0.015 A 513 PRO HDx H 1 3.685 0.010 A 513 PRO HDy H 1 3.685 0.010 A 513 PRO HGx H 1 1.852 0.010 A 513 PRO HGy H 1 1.852 0.010 A 513 PRO C C 13 173.951 0.000 A 513 PRO CA C 13 63.657 0.329 A 513 PRO CB C 13 32.188 0.177 A 513 PRO CD C 13 51.022 0.156 A 513 PRO CG C 13 27.314 0.261 A 514 ASN H H 1 8.288 0.006 A 514 ASN HA H 1 4.539 0.014 A 514 ASN HBy H 1 2.747 0.013 A 514 ASN HBx H 1 2.595 0.025 A 514 ASN HD2y H 1 7.537 0.009 A 514 ASN HD2x H 1 6.843 0.012 A 514 ASN C C 13 175.348 0.000 A 514 ASN CA C 13 53.557 0.263 A 514 ASN CB C 13 39.195 0.318 A 514 ASN N N 15 117.512 0.041 A 515 LEU H H 1 7.773 0.013 A 515 LEU HA H 1 4.157 0.005 A 515 LEU HBx H 1 1.436 0.025 A 515 LEU HBy H 1 1.436 0.025 A 515 LEU HDx% H 1 0.767 0.016 A 515 LEU HDy% H 1 0.767 0.016 A 515 LEU HG H 1 1.426 0.012 A 515 LEU C C 13 173.686 0.000 A 515 LEU CA C 13 55.344 0.289 A 515 LEU CB C 13 42.525 0.341 A 515 LEU CDy C 13 25.481 0.119 A 515 LEU CDx C 13 25.329 0.230 A 515 LEU CG C 13 27.296 0.405 A 515 LEU N N 15 121.066 0.054 A 516 HIS H H 1 8.109 0.002 A 516 HIS HA H 1 4.438 0.027 A 516 HIS HBx H 1 2.900 0.014 A 516 HIS HBy H 1 2.900 0.014 A 516 HIS HD2 H 1 6.976 0.009 A 516 HIS HE1 H 1 8.399 0.037 A 516 HIS C C 13 175.736 0.000 A 516 HIS CA C 13 55.806 0.245 A 516 HIS CB C 13 28.903 0.189 A 516 HIS CD2 C 13 120.579 0.002 A 516 HIS CE1 C 13 136.823 0.062 A 516 HIS N N 15 117.512 0.022 A 517 TYR H H 1 8.070 0.008 A 517 TYR HA H 1 4.206 0.006 A 517 TYR HBy H 1 2.686 0.009 A 517 TYR HDx H 1 6.662 0.008 A 517 TYR HDy H 1 6.662 0.008 A 517 TYR HEx H 1 6.666 0.015 A 517 TYR HEy H 1 6.666 0.015 A 517 TYR C C 13 174.847 0.000 A 517 TYR CA C 13 59.252 0.181 A 517 TYR CB C 13 39.066 0.238 A 517 TYR CDx C 13 133.416 0.161 A 517 TYR CEx C 13 118.728 0.046 A 517 TYR N N 15 120.068 0.043 A 518 TRP H H 1 7.641 0.007 A 518 TRP HA H 1 4.549 0.027 A 518 TRP HBx H 1 3.157 0.027 A 518 TRP HBy H 1 3.157 0.027 A 518 TRP HD1 H 1 7.146 0.018 A 518 TRP HE1 H 1 10.342 0.006 A 518 TRP HE3 H 1 7.391 0.033 A 518 TRP HZ2 H 1 7.276 0.007 A 518 TRP C C 13 174.443 0.000 A 518 TRP CA C 13 57.822 0.241 A 518 TRP CB C 13 29.912 0.229 A 518 TRP CD1 C 13 127.440 0.137 A 518 TRP CE3 C 13 121.484 0.080 A 518 TRP CZ2 C 13 114.952 0.055 A 518 TRP N N 15 118.503 0.028 A 519 THR H H 1 7.887 0.011 A 519 THR HA H 1 4.340 0.011 A 519 THR HB H 1 4.160 0.013 A 519 THR HG2% H 1 1.044 0.006 A 519 THR C C 13 175.579 0.000 A 519 THR CA C 13 61.791 0.227 A 519 THR CB C 13 70.049 0.245 A 519 THR CG2 C 13 21.869 0.156 A 519 THR N N 15 112.242 0.022 A 520 THR H H 1 7.936 0.006 A 520 THR HA H 1 4.245 0.016 A 520 THR HB H 1 4.157 0.014 A 520 THR HG2% H 1 1.068 0.009 A 520 THR C C 13 175.402 0.000 A 520 THR CA C 13 62.140 0.246 A 520 THR CB C 13 69.994 0.296 A 520 THR CG2 C 13 22.022 0.163 A 520 THR N N 15 114.383 0.027 A 521 GLN H H 1 8.238 0.014 A 521 GLN HA H 1 4.167 0.011 A 521 GLN HBx H 1 1.894 0.025 A 521 GLN HBy H 1 1.894 0.025 A 521 GLN HE2x H 1 7.363 0.000 A 521 GLN HGx H 1 2.202 0.010 A 521 GLN HGy H 1 2.202 0.010 A 521 GLN C C 13 174.280 0.000 A 521 GLN CA C 13 56.569 0.243 A 521 GLN CB C 13 29.357 0.194 A 521 GLN CG C 13 34.057 0.162 A 521 GLN N N 15 121.482 0.019 A 522 ASP H H 1 8.151 0.002 A 522 ASP HA H 1 4.436 0.009 A 522 ASP HBx H 1 2.567 0.018 A 522 ASP HBy H 1 2.567 0.018 A 522 ASP C C 13 173.622 0.000 A 522 ASP CA C 13 55.067 0.321 A 522 ASP CB C 13 41.079 0.325 A 522 ASP N N 15 120.331 0.040 A 523 GLU H H 1 8.261 0.004 A 523 GLU HA H 1 4.086 0.006 A 523 GLU HBx H 1 1.950 0.018 A 523 GLU HBy H 1 1.950 0.018 A 523 GLU HGx H 1 2.198 0.011 A 523 GLU HGy H 1 2.198 0.011 A 523 GLU C C 13 173.037 0.000 A 523 GLU CA C 13 57.580 0.217 A 523 GLU CB C 13 29.542 0.235 A 523 GLU CG C 13 35.689 0.177 A 523 GLU N N 15 120.580 0.052 A 524 GLY H H 1 8.287 0.004 A 524 GLY HAx H 1 3.759 0.009 A 524 GLY HAy H 1 3.759 0.009 A 524 GLY C C 13 175.981 0.000 A 524 GLY CA C 13 45.936 0.305 A 524 GLY N N 15 108.383 0.029 A 525 ALA H H 1 7.846 0.002 A 525 ALA HA H 1 4.150 0.008 A 525 ALA HB% H 1 1.293 0.012 A 525 ALA C C 13 172.507 0.000 A 525 ALA CA C 13 53.068 0.330 A 525 ALA CB C 13 19.406 0.238 A 525 ALA N N 15 122.951 0.019 A 526 ALA H H 1 8.014 0.006 A 526 ALA HA H 1 4.181 0.016 A 526 ALA HB% H 1 1.283 0.017 A 526 ALA C C 13 172.070 0.000 A 526 ALA CA C 13 53.158 0.366 A 526 ALA CB C 13 19.271 0.228 A 526 ALA N N 15 122.022 0.009 A 527 ILE H H 1 7.907 0.012 A 527 ILE HA H 1 3.887 0.009 A 527 ILE HB H 1 1.742 0.017 A 527 ILE HD1% H 1 0.688 0.032 A 527 ILE HG1y H 1 1.434 0.016 A 527 ILE HG1x H 1 1.042 0.013 A 527 ILE HG2% H 1 0.760 0.009 A 527 ILE C C 13 173.664 0.000 A 527 ILE CA C 13 62.221 0.223 A 527 ILE CB C 13 38.735 0.238 A 527 ILE CD1 C 13 13.152 0.255 A 527 ILE CG1 C 13 28.216 0.147 A 527 ILE CG2 C 13 17.938 0.216 A 527 ILE N N 15 118.520 0.012 A 528 GLY H H 1 8.251 0.003 A 528 GLY HAx H 1 3.755 0.009 A 528 GLY HAy H 1 3.755 0.009 A 528 GLY C C 13 175.853 0.000 A 528 GLY CA C 13 46.143 0.333 A 528 GLY N N 15 109.901 0.034 A 529 ALA H H 1 7.968 0.009 A 529 ALA HA H 1 3.997 0.005 A 529 ALA HB% H 1 1.274 0.018 A 529 ALA C C 13 171.603 0.000 A 529 ALA CA C 13 54.036 0.330 A 529 ALA CB C 13 19.173 0.274 A 529 ALA N N 15 122.244 0.015 A 530 ALA H H 1 8.161 0.012 A 530 ALA HA H 1 4.055 0.011 A 530 ALA HB% H 1 1.224 0.018 A 530 ALA C C 13 172.413 0.000 A 530 ALA CA C 13 53.591 0.226 A 530 ALA CB C 13 19.102 0.276 A 530 ALA N N 15 119.150 0.034 A 531 TRP H H 1 7.758 0.004 A 531 TRP HA H 1 4.525 0.017 A 531 TRP HBx H 1 3.246 0.037 A 531 TRP HBy H 1 3.246 0.037 A 531 TRP HD1 H 1 7.192 0.015 A 531 TRP HE1 H 1 10.389 0.007 A 531 TRP HE3 H 1 7.434 0.036 A 531 TRP HZ2 H 1 7.333 0.004 A 531 TRP C C 13 173.708 0.000 A 531 TRP CA C 13 57.449 0.217 A 531 TRP CB C 13 30.079 0.138 A 531 TRP CD1 C 13 127.124 0.055 A 531 TRP CE3 C 13 121.312 0.029 A 531 TRP CZ2 C 13 115.073 0.016 A 531 TRP N N 15 115.703 0.018 A 532 ILE H H 1 7.515 0.012 A 532 ILE HA H 1 3.814 0.015 A 532 ILE HB H 1 1.811 0.005 A 532 ILE HD1% H 1 0.684 0.021 A 532 ILE HG1y H 1 1.518 0.003 A 532 ILE HG1x H 1 1.010 0.000 A 532 ILE HG2% H 1 0.761 0.014 A 532 ILE CA C 13 63.978 0.077 A 532 ILE CB C 13 37.291 0.149 A 532 ILE CD1 C 13 13.186 0.051 A 532 ILE CG2 C 13 17.965 0.166 A 532 ILE N N 15 120.648 0.024 A 533 PRO HA H 1 4.199 0.006 A 533 PRO HBx H 1 2.097 0.009 A 533 PRO HBy H 1 2.097 0.009 A 533 PRO HDx H 1 3.567 0.018 A 533 PRO HDy H 1 3.567 0.018 A 533 PRO HGx H 1 1.779 0.011 A 533 PRO HGy H 1 1.779 0.011 A 533 PRO C C 13 173.380 0.000 A 533 PRO CA C 13 64.877 0.256 A 533 PRO CB C 13 31.795 0.520 A 533 PRO CD C 13 51.012 0.077 A 533 PRO CG C 13 28.183 0.319 A 534 TYR H H 1 7.558 0.006 A 534 TYR HA H 1 4.127 0.016 A 534 TYR HBx H 1 2.854 0.010 A 534 TYR HBy H 1 2.854 0.010 A 534 TYR HDx H 1 6.852 0.007 A 534 TYR HDy H 1 6.852 0.007 A 534 TYR HEx H 1 6.651 0.000 A 534 TYR HEy H 1 6.651 0.000 A 534 TYR C C 13 174.356 0.000 A 534 TYR CA C 13 60.153 0.255 A 534 TYR CB C 13 38.665 0.222 A 534 TYR CDy C 13 133.210 0.061 A 534 TYR CEy C 13 118.315 0.000 A 534 TYR N N 15 114.701 0.062 A 535 PHE H H 1 8.003 0.008 A 535 PHE HA H 1 4.381 0.019 A 535 PHE HBy H 1 3.098 0.009 A 535 PHE HBx H 1 2.917 0.011 A 535 PHE HDx H 1 7.156 0.003 A 535 PHE HDy H 1 7.156 0.003 A 535 PHE C C 13 174.160 0.000 A 535 PHE CA C 13 59.095 0.245 A 535 PHE CB C 13 40.607 0.355 A 535 PHE N N 15 116.978 0.039 A 536 GLY H H 1 8.130 0.004 A 536 GLY HA2 H 1 4.075 0.007 A 536 GLY HA3 H 1 4.075 0.007 A 536 GLY CA C 13 47.335 0.190 A 536 GLY N N 15 107.091 0.041 A 537 PRO HA H 1 4.244 0.013 A 537 PRO HBx H 1 2.127 0.089 A 537 PRO HBy H 1 2.127 0.089 A 537 PRO HDx H 1 3.528 0.018 A 537 PRO HDy H 1 3.528 0.018 A 537 PRO HGx H 1 1.803 0.017 A 537 PRO HGy H 1 1.803 0.017 A 537 PRO C C 13 171.319 0.000 A 537 PRO CA C 13 65.023 0.265 A 537 PRO CB C 13 31.842 0.093 A 537 PRO CD C 13 50.787 0.234 A 537 PRO CG C 13 27.991 0.280 A 538 ALA H H 1 7.913 0.008 A 538 ALA HA H 1 4.104 0.013 A 538 ALA HB% H 1 1.347 0.013 A 538 ALA C C 13 171.431 0.000 A 538 ALA CA C 13 54.534 0.300 A 538 ALA CB C 13 18.866 0.208 A 538 ALA N N 15 120.335 0.044 A 539 ALA H H 1 8.105 0.008 A 539 ALA HA H 1 3.916 0.004 A 539 ALA HB% H 1 1.320 0.012 A 539 ALA C C 13 171.593 0.000 A 539 ALA CA C 13 54.669 0.208 A 539 ALA CB C 13 18.929 0.255 A 539 ALA N N 15 120.016 0.053 A 540 GLU H H 1 8.081 0.003 A 540 GLU HA H 1 3.922 0.007 A 540 GLU HBx H 1 1.996 0.013 A 540 GLU HBy H 1 1.996 0.013 A 540 GLU HGx H 1 2.282 0.029 A 540 GLU HGy H 1 2.282 0.029 A 540 GLU C C 13 171.649 0.000 A 540 GLU CA C 13 59.055 0.276 A 540 GLU CB C 13 29.335 0.271 A 540 GLU CG C 13 35.638 0.240 A 540 GLU N N 15 116.288 0.021 A 541 GLY H H 1 8.063 0.007 A 541 GLY HAx H 1 3.825 0.009 A 541 GLY HAy H 1 3.825 0.009 A 541 GLY C C 13 174.868 0.000 A 541 GLY CA C 13 46.506 0.177 A 541 GLY N N 15 107.262 0.022 A 542 ILE H H 1 7.843 0.006 A 542 ILE HA H 1 3.760 0.011 A 542 ILE HB H 1 1.777 0.015 A 542 ILE HD1% H 1 0.707 0.011 A 542 ILE HG1y H 1 1.526 0.011 A 542 ILE HG1x H 1 1.015 0.010 A 542 ILE HG2% H 1 0.738 0.010 A 542 ILE C C 13 173.000 0.000 A 542 ILE CA C 13 64.103 0.206 A 542 ILE CB C 13 38.394 0.346 A 542 ILE CD1 C 13 13.391 0.253 A 542 ILE CG1 C 13 28.911 0.154 A 542 ILE CG2 C 13 18.020 0.141 A 542 ILE N N 15 120.614 0.053 A 543 TYR H H 1 8.027 0.007 A 543 TYR HA H 1 4.178 0.013 A 543 TYR HBx H 1 2.913 0.037 A 543 TYR HBy H 1 2.913 0.037 A 543 TYR HDx H 1 6.949 0.011 A 543 TYR HDy H 1 6.949 0.011 A 543 TYR HEx H 1 6.658 0.004 A 543 TYR HEy H 1 6.658 0.004 A 543 TYR C C 13 173.268 0.000 A 543 TYR CA C 13 60.547 0.229 A 543 TYR CB C 13 38.923 0.271 A 543 TYR CDy C 13 133.286 0.076 A 543 TYR CEy C 13 118.690 0.086 A 543 TYR N N 15 120.210 0.037 A 544 ALA H H 1 8.079 0.003 A 544 ALA HA H 1 3.953 0.008 A 544 ALA HB% H 1 1.406 0.016 A 544 ALA C C 13 171.072 0.000 A 544 ALA CA C 13 54.440 0.215 A 544 ALA CB C 13 19.028 0.257 A 544 ALA N N 15 121.025 0.065 A 545 GLU H H 1 7.880 0.006 A 545 GLU HA H 1 4.096 0.011 A 545 GLU HBx H 1 1.985 0.012 A 545 GLU HBy H 1 1.985 0.012 A 545 GLU HGx H 1 2.268 0.015 A 545 GLU HGy H 1 2.268 0.015 A 545 GLU C C 13 172.525 0.000 A 545 GLU CA C 13 57.355 0.143 A 545 GLU CB C 13 29.517 0.293 A 545 GLU CG C 13 35.084 0.164 A 545 GLU N N 15 116.132 0.016 A 546 GLY H H 1 8.028 0.009 A 546 GLY HAx H 1 3.773 0.014 A 546 GLY HAy H 1 3.773 0.014 A 546 GLY C C 13 175.638 0.000 A 546 GLY CA C 13 46.241 0.176 A 546 GLY N N 15 107.283 0.018 A 547 LEU H H 1 7.865 0.019 A 547 LEU HA H 1 4.127 0.010 A 547 LEU HBx H 1 1.489 0.014 A 547 LEU HBy H 1 1.489 0.014 A 547 LEU HDx% H 1 0.753 0.009 A 547 LEU HDy% H 1 0.753 0.009 A 547 LEU HG H 1 1.458 0.013 A 547 LEU C C 13 172.747 0.000 A 547 LEU CA C 13 56.418 0.378 A 547 LEU CB C 13 42.717 0.233 A 547 LEU CD1 C 13 25.597 0.108 A 547 LEU CD2 C 13 25.213 0.055 A 547 LEU CG C 13 27.035 0.310 A 547 LEU N N 15 119.944 0.040 A 548 MET H H 1 7.958 0.002 A 548 MET HA H 1 4.231 0.017 A 548 MET HBx H 1 1.905 0.013 A 548 MET HBy H 1 1.905 0.013 A 548 MET HG2 H 1 2.386 0.024 A 548 MET HG3 H 1 2.386 0.024 A 548 MET C C 13 173.854 0.000 A 548 MET CA C 13 55.914 0.212 A 548 MET CB C 13 32.474 0.126 A 548 MET CG C 13 32.719 0.167 A 548 MET N N 15 115.796 0.058 A 549 HIS H H 1 8.059 0.002 A 549 HIS HA H 1 4.572 0.018 A 549 HIS HBy H 1 3.213 0.005 A 549 HIS HBx H 1 3.036 0.026 A 549 HIS HD2 H 1 7.175 0.010 A 549 HIS HE1 H 1 8.444 0.007 A 549 HIS C C 13 175.817 0.000 A 549 HIS CA C 13 55.746 0.179 A 549 HIS CB C 13 28.918 0.159 A 549 HIS CD2 C 13 120.303 0.348 A 549 HIS CE1 C 13 136.933 0.044 A 549 HIS N N 15 116.928 0.042 A 550 ASN H H 1 8.222 0.003 A 550 ASN HA H 1 4.554 0.022 A 550 ASN HBx H 1 2.722 0.016 A 550 ASN HBy H 1 2.722 0.016 A 550 ASN C C 13 174.738 0.000 A 550 ASN CA C 13 53.874 0.315 A 550 ASN CB C 13 38.883 0.163 A 550 ASN N N 15 118.413 0.058 A 551 GLN H H 1 8.336 0.001 A 551 GLN HA H 1 4.217 0.012 A 551 GLN HBx H 1 1.866 0.014 A 551 GLN HBy H 1 1.866 0.014 A 551 GLN HE2x H 1 7.357 0.000 A 551 GLN HGx H 1 2.239 0.014 A 551 GLN HGy H 1 2.239 0.014 A 551 GLN C C 13 173.745 0.000 A 551 GLN CA C 13 56.477 0.225 A 551 GLN CB C 13 29.046 0.305 A 551 GLN CG C 13 33.891 0.248 A 551 GLN N N 15 119.844 0.018 A 552 ASP H H 1 8.192 0.005 A 552 ASP HA H 1 4.434 0.006 A 552 ASP HBx H 1 2.590 0.006 A 552 ASP HBy H 1 2.590 0.006 A 552 ASP C C 13 173.446 0.000 A 552 ASP CA C 13 55.146 0.233 A 552 ASP CB C 13 41.174 0.260 A 552 ASP N N 15 119.497 0.093 A 553 GLY H H 1 8.114 0.002 A 553 GLY HAx H 1 3.825 0.004 A 553 GLY HAy H 1 3.825 0.004 A 553 GLY C C 13 175.627 0.000 A 553 GLY CA C 13 45.791 0.061 A 553 GLY N N 15 107.920 0.085 A 554 LEU H H 1 8.055 0.003 A 554 LEU HA H 1 4.150 0.019 A 554 LEU HBx H 1 1.542 0.012 A 554 LEU HBy H 1 1.542 0.012 A 554 LEU HDx% H 1 0.789 0.011 A 554 LEU HDy% H 1 0.789 0.011 A 554 LEU HG H 1 1.561 0.009 A 554 LEU C C 13 172.742 0.000 A 554 LEU CA C 13 56.520 0.232 A 554 LEU CB C 13 42.857 0.211 A 554 LEU CD1 C 13 25.347 0.349 A 554 LEU CG C 13 27.321 0.218 A 554 LEU N N 15 121.436 0.021 A 555 ILE H H 1 7.946 0.006 A 555 ILE HA H 1 3.947 0.010 A 555 ILE HB H 1 1.803 0.010 A 555 ILE HD1% H 1 0.723 0.020 A 555 ILE HG1y H 1 1.472 0.038 A 555 ILE HG1x H 1 1.058 0.006 A 555 ILE HG2% H 1 0.770 0.004 A 555 ILE C C 13 174.354 0.000 A 555 ILE CA C 13 62.214 0.255 A 555 ILE CB C 13 38.447 0.190 A 555 ILE CD1 C 13 13.358 0.294 A 555 ILE CG1 C 13 28.760 0.110 A 555 ILE CG2 C 13 18.071 0.119 A 555 ILE N N 15 117.147 0.036 A 556 CYS H H 1 8.193 0.011 A 556 CYS HA H 1 4.439 0.008 A 556 CYS HBy H 1 3.084 0.013 A 556 CYS HBx H 1 2.903 0.011 A 556 CYS C C 13 174.864 0.000 A 556 CYS CA C 13 55.915 0.187 A 556 CYS CB C 13 40.902 0.037 A 556 CYS N N 15 119.354 0.116 A 557 GLY H H 1 8.112 0.006 A 557 GLY HAx H 1 3.842 0.018 A 557 GLY HAy H 1 3.842 0.018 A 557 GLY C C 13 176.365 0.000 A 557 GLY CA C 13 45.923 0.339 A 557 GLY N N 15 108.370 0.061 A 558 LEU H H 1 7.816 0.014 A 558 LEU HA H 1 4.209 0.018 A 558 LEU HBx H 1 1.589 0.013 A 558 LEU HBy H 1 1.589 0.013 A 558 LEU HDx% H 1 0.762 0.010 A 558 LEU HDy% H 1 0.762 0.010 A 558 LEU HG H 1 1.524 0.029 A 558 LEU C C 13 173.387 0.000 A 558 LEU CA C 13 55.568 0.304 A 558 LEU CB C 13 42.943 0.235 A 558 LEU CD1 C 13 25.459 0.174 A 558 LEU CG C 13 27.491 0.309 A 558 LEU N N 15 120.302 0.024 A 559 ARG H H 1 7.996 0.017 A 559 ARG HA H 1 4.246 0.011 A 559 ARG HBx H 1 1.797 0.012 A 559 ARG HBy H 1 1.797 0.012 A 559 ARG HDx H 1 3.060 0.005 A 559 ARG HDy H 1 3.060 0.005 A 559 ARG HE H 1 7.260 0.004 A 559 ARG HGx H 1 1.565 0.012 A 559 ARG HGy H 1 1.565 0.012 A 559 ARG HH2y H 1 6.682 0.000 A 559 ARG C C 13 175.047 0.000 A 559 ARG CA C 13 55.858 0.320 A 559 ARG CB C 13 30.806 0.092 A 559 ARG CD C 13 43.761 0.171 A 559 ARG CG C 13 27.426 0.176 A 559 ARG N N 15 119.826 0.031 A 560 GLN H H 1 7.820 0.004 A 560 GLN HA H 1 4.032 0.006 A 560 GLN HBy H 1 2.180 0.005 A 560 GLN HBx H 1 1.967 0.006 A 560 GLN HGx H 1 2.185 0.003 A 560 GLN HGy H 1 2.185 0.003 A 560 GLN CA C 13 57.680 0.253 A 560 GLN CB C 13 30.237 0.000 A 560 GLN CG C 13 34.877 0.133 A 560 GLN N N 15 125.816 0.028 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 HA A 508 GLN HA 1.0 1.8 4.63 2 2 A 508 GLN HA A 510 LYS H 1.0 1.8 4.37 3 3 A 508 GLN HA A 509 PRO HGx 1.0 1.8 4.29 4 3 A 508 GLN HA A 509 PRO HGy 1.0 1.8 4.29 5 4 A 508 GLN HA A 559 ARG HDx 1.0 1.8 4.82 6 4 A 508 GLN HA A 559 ARG HDy 1.0 1.8 4.82 7 5 A 511 CYS H A 509 PRO HBx 1.0 1.8 5.08 8 5 A 509 PRO HBy A 511 CYS H 1.0 1.8 5.08 9 6 A 509 PRO HA A 510 LYS HGx 1.0 1.8 4.98 10 6 A 509 PRO HA A 510 LYS HGy 1.0 1.8 4.98 11 7 A 509 PRO HA A 510 LYS HBx 1.0 1.8 4.56 12 7 A 509 PRO HA A 510 LYS HBy 1.0 1.8 4.56 13 8 A 509 PRO HDy A 510 LYS HBx 1.0 1.8 4.86 14 8 A 510 LYS HBy A 509 PRO HDx 1.0 1.8 4.86 15 8 A 509 PRO HDy A 510 LYS HBy 1.0 1.8 4.86 16 8 A 509 PRO HDx A 510 LYS HBx 1.0 1.8 4.86 17 9 A 510 LYS H A 509 PRO HA 1.0 1.8 3.04 18 10 A 510 LYS H A 509 PRO HBx 1.0 1.8 4.39 19 10 A 510 LYS H A 509 PRO HBy 1.0 1.8 4.39 20 11 A 509 PRO HDx A 510 LYS HGx 1.0 1.8 5.08 21 11 A 510 LYS HGy A 509 PRO HDx 1.0 1.8 5.08 22 11 A 509 PRO HDy A 510 LYS HGy 1.0 1.8 5.08 23 11 A 509 PRO HDy A 510 LYS HGx 1.0 1.8 5.08 24 12 A 509 PRO HDx A 556 CYS HBy 1.0 1.8 4.98 25 12 A 509 PRO HDy A 556 CYS HBy 1.0 1.8 4.98 26 12 A 556 CYS HBx A 509 PRO HDx 1.0 1.8 4.98 27 12 A 509 PRO HDy A 556 CYS HBx 1.0 1.8 4.98 28 13 A 557 GLY H A 509 PRO HDx 1.0 1.8 4.51 29 13 A 509 PRO HDy A 557 GLY H 1.0 1.8 4.51 30 14 A 509 PRO HDy A 559 ARG HDx 1.0 1.8 4.46 31 14 A 509 PRO HDx A 559 ARG HDx 1.0 1.8 4.46 32 14 A 559 ARG HDy A 509 PRO HDx 1.0 1.8 4.46 33 14 A 509 PRO HDy A 559 ARG HDy 1.0 1.8 4.46 34 15 A 510 LYS HBy A 511 CYS HBy 1.0 1.8 4.67 35 15 A 510 LYS HBx A 511 CYS HBy 1.0 1.8 4.67 36 15 A 511 CYS HBx A 510 LYS HBx 1.0 1.8 4.67 37 15 A 510 LYS HBy A 511 CYS HBx 1.0 1.8 4.67 38 16 A 511 CYS H A 510 LYS HGx 1.0 1.8 4.81 39 16 A 511 CYS H A 510 LYS HGy 1.0 1.8 4.81 40 17 A 510 LYS H A 510 LYS HGx 1.0 1.8 4.01 41 17 A 510 LYS H A 510 LYS HGy 1.0 1.8 4.01 42 18 A 510 LYS H A 510 LYS HBy 1.0 1.8 4.03 43 19 A 510 LYS H A 510 LYS HBx 1.0 1.8 3.26 44 19 A 510 LYS H A 510 LYS HBy 1.0 1.8 3.26 45 20 A 510 LYS HA A 512 ASN H 1.0 1.8 4.92 46 21 A 510 LYS H A 510 LYS HBx 1.0 1.8 4.03 47 22 A 511 CYS H A 510 LYS HBx 1.0 1.8 4.02 48 22 A 511 CYS H A 510 LYS HBy 1.0 1.8 4.02 49 23 A 511 CYS H A 510 LYS HA 1.0 1.8 3.22 50 24 A 510 LYS H A 512 ASN H 1.0 1.8 5.04 51 25 A 510 LYS HDx A 510 LYS HGx 1.0 1.8 2.82 52 25 A 510 LYS HDy A 510 LYS HGx 1.0 1.8 2.82 53 25 A 510 LYS HGy A 510 LYS HDx 1.0 1.8 2.82 54 25 A 510 LYS HGy A 510 LYS HDy 1.0 1.8 2.82 55 26 A 512 ASN H A 511 CYS HBy 1.0 1.8 4.20 56 26 A 511 CYS HBx A 512 ASN H 1.0 1.8 4.20 57 27 A 511 CYS H A 512 ASN HD2x 1.0 1.8 4.40 58 27 A 511 CYS H A 512 ASN HD2y 1.0 1.8 4.40 59 28 A 511 CYS H A 555 ILE HA 1.0 1.8 4.86 60 29 A 511 CYS HA A 512 ASN HA 1.0 1.8 5.06 61 30 A 511 CYS H A 512 ASN H 1.0 1.8 4.54 62 31 A 511 CYS H A 511 CYS HBy 1.0 1.8 3.51 63 31 A 511 CYS H A 511 CYS HBx 1.0 1.8 3.51 64 32 A 511 CYS H A 512 ASN HBx 1.0 1.8 4.61 65 32 A 511 CYS H A 512 ASN HBy 1.0 1.8 4.61 66 33 A 512 ASN H A 511 CYS HA 1.0 1.8 3.39 67 34 A 513 PRO HA A 512 ASN HBx 1.0 1.8 4.91 68 34 A 512 ASN HBy A 513 PRO HA 1.0 1.8 4.91 69 35 A 512 ASN HBy A 554 LEU HDx% 1.0 1.8 4.00 70 35 A 512 ASN HBx A 554 LEU HDx% 1.0 1.8 4.00 71 35 A 554 LEU HDy% A 512 ASN HBx 1.0 1.8 4.00 72 35 A 512 ASN HBy A 554 LEU HDy% 1.0 1.8 4.00 73 36 A 512 ASN HA A 513 PRO HGx 1.0 1.8 4.32 74 36 A 512 ASN HA A 513 PRO HGy 1.0 1.8 4.32 75 37 A 512 ASN HBy A 513 PRO HDy 1.0 1.8 4.49 76 37 A 512 ASN HBy A 513 PRO HDx 1.0 1.8 4.49 77 38 A 512 ASN H A 554 LEU HDx% 1.0 1.8 4.48 78 38 A 512 ASN H A 554 LEU HDy% 1.0 1.8 4.48 79 39 A 512 ASN H A 512 ASN HBx 1.0 1.8 4.07 80 40 A 512 ASN H A 512 ASN HBx 1.0 1.8 3.56 81 40 A 512 ASN H A 512 ASN HBy 1.0 1.8 3.56 82 41 A 512 ASN H A 512 ASN HBy 1.0 1.8 4.07 83 42 A 512 ASN HA A 513 PRO HDx 1.0 1.8 3.34 84 42 A 512 ASN HA A 513 PRO HDy 1.0 1.8 3.34 85 43 A 512 ASN H A 513 PRO HDx 1.0 1.8 4.69 86 43 A 512 ASN H A 513 PRO HDy 1.0 1.8 4.69 87 44 A 513 PRO HDy A 512 ASN HBx 1.0 1.8 4.49 88 44 A 512 ASN HBx A 513 PRO HDx 1.0 1.8 4.49 89 45 A 513 PRO HA A 555 ILE HD1% 1.0 1.8 4.85 90 46 A 514 ASN H A 513 PRO HDx 1.0 1.8 4.34 91 46 A 513 PRO HDy A 514 ASN H 1.0 1.8 4.34 92 47 A 513 PRO HGx A 514 ASN HBx 1.0 1.8 5.13 93 47 A 513 PRO HGy A 514 ASN HBx 1.0 1.8 5.13 94 48 A 514 ASN H A 513 PRO HBx 1.0 1.8 4.61 95 48 A 514 ASN H A 513 PRO HBy 1.0 1.8 4.61 96 49 A 514 ASN H A 513 PRO HGx 1.0 1.8 4.01 97 49 A 513 PRO HGy A 514 ASN H 1.0 1.8 4.01 98 50 A 554 LEU HA A 513 PRO HDx 1.0 1.8 4.46 99 50 A 513 PRO HDy A 554 LEU HA 1.0 1.8 4.46 100 51 A 513 PRO HGy A 515 LEU HBx 1.0 1.8 4.61 101 51 A 513 PRO HGx A 515 LEU HBx 1.0 1.8 4.61 102 51 A 515 LEU HBy A 513 PRO HGx 1.0 1.8 4.61 103 51 A 513 PRO HGy A 515 LEU HBy 1.0 1.8 4.61 104 52 A 513 PRO HGx A 514 ASN HBx 1.0 1.8 4.44 105 52 A 513 PRO HGy A 514 ASN HBx 1.0 1.8 4.44 106 52 A 514 ASN HBy A 513 PRO HGx 1.0 1.8 4.44 107 52 A 513 PRO HGy A 514 ASN HBy 1.0 1.8 4.44 108 53 A 513 PRO HA A 514 ASN H 1.0 1.8 3.49 109 54 A 513 PRO HGy A 515 LEU HDx% 1.0 1.8 4.01 110 54 A 513 PRO HGx A 515 LEU HDx% 1.0 1.8 4.01 111 54 A 515 LEU HDy% A 513 PRO HGx 1.0 1.8 4.01 112 54 A 513 PRO HGy A 515 LEU HDy% 1.0 1.8 4.01 113 55 A 552 ASP H A 513 PRO HBx 1.0 1.8 4.48 114 55 A 513 PRO HBy A 552 ASP H 1.0 1.8 4.48 115 56 A 513 PRO HGy A 514 ASN HBy 1.0 1.8 5.13 116 56 A 514 ASN HBy A 513 PRO HGx 1.0 1.8 5.13 117 57 A 514 ASN H A 515 LEU H 1.0 1.8 3.96 118 58 A 514 ASN H A 515 LEU HDx% 1.0 1.8 5.07 119 58 A 514 ASN H A 515 LEU HDy% 1.0 1.8 5.07 120 59 A 514 ASN H A 514 ASN HD2y 1.0 1.8 5.04 121 60 A 514 ASN HA A 516 HIS H 1.0 1.8 4.27 122 61 A 514 ASN H A 514 ASN HBx 1.0 1.8 3.86 123 62 A 514 ASN HBy A 515 LEU H 1.0 1.8 4.79 124 63 A 514 ASN HBy A 515 LEU HDy% 1.0 1.8 4.86 125 63 A 514 ASN HBy A 515 LEU HDx% 1.0 1.8 4.86 126 64 A 515 LEU H A 514 ASN HBx 1.0 1.8 4.19 127 64 A 514 ASN HBy A 515 LEU H 1.0 1.8 4.19 128 65 A 514 ASN H A 514 ASN HBy 1.0 1.8 3.86 129 66 A 551 GLN HA A 514 ASN HBx 1.0 1.8 4.56 130 66 A 514 ASN HBy A 551 GLN HA 1.0 1.8 4.56 131 67 A 515 LEU HBy A 514 ASN HBy 1.0 1.8 4.69 132 67 A 514 ASN HBy A 515 LEU HBx 1.0 1.8 4.69 133 68 A 514 ASN HA A 515 LEU HG 1.0 1.8 4.67 134 69 A 515 LEU H A 514 ASN HBx 1.0 1.8 4.79 135 70 A 515 LEU HBy A 514 ASN HBx 1.0 1.8 4.69 136 70 A 514 ASN HBx A 515 LEU HBx 1.0 1.8 4.69 137 71 A 515 LEU HDy% A 514 ASN HBx 1.0 1.8 4.86 138 71 A 514 ASN HBx A 515 LEU HDx% 1.0 1.8 4.86 139 72 A 514 ASN H A 514 ASN HD2y 1.0 1.8 4.30 140 72 A 514 ASN H A 514 ASN HD2x 1.0 1.8 4.30 141 73 A 514 ASN H A 514 ASN HD2x 1.0 1.8 5.04 142 74 A 514 ASN H A 515 LEU HG 1.0 1.8 4.83 143 75 A 514 ASN HD2x A 514 ASN HBx 1.0 1.8 3.14 144 75 A 514 ASN HBy A 514 ASN HD2y 1.0 1.8 3.14 145 75 A 514 ASN HBy A 514 ASN HD2x 1.0 1.8 3.14 146 75 A 514 ASN HD2y A 514 ASN HBx 1.0 1.8 3.14 147 76 A 515 LEU H A 515 LEU HBx 1.0 1.8 3.86 148 76 A 515 LEU HBy A 515 LEU H 1.0 1.8 3.86 149 77 A 515 LEU H A 515 LEU HDx% 1.0 1.8 3.93 150 77 A 515 LEU HDy% A 515 LEU H 1.0 1.8 3.93 151 78 A 516 HIS H A 515 LEU HBx 1.0 1.8 4.09 152 78 A 515 LEU HBy A 516 HIS H 1.0 1.8 4.09 153 79 A 516 HIS H A 515 LEU HDx% 1.0 1.8 4.52 154 79 A 515 LEU HDy% A 516 HIS H 1.0 1.8 4.52 155 80 A 516 HIS HA A 515 LEU HDx% 1.0 1.8 4.42 156 80 A 515 LEU HDy% A 516 HIS HA 1.0 1.8 4.42 157 81 A 515 LEU H A 516 HIS H 1.0 1.8 4.22 158 82 A 515 LEU H A 515 LEU HG 1.0 1.8 3.48 159 83 A 516 HIS HA A 516 HIS HE1 1.0 1.8 4.47 160 84 A 518 TRP H A 516 HIS HBx 1.0 1.8 4.92 161 84 A 516 HIS HBy A 518 TRP H 1.0 1.8 4.92 162 85 A 516 HIS H A 516 HIS HBx 1.0 1.8 3.80 163 85 A 516 HIS H A 516 HIS HBy 1.0 1.8 3.80 164 86 A 517 TYR HE% A 518 TRP HE3 1.0 1.8 4.10 165 87 A 517 TYR HE% A 551 GLN HGx 1.0 1.8 4.41 166 87 A 517 TYR HE% A 551 GLN HGy 1.0 1.8 4.41 167 88 A 518 TRP H A 517 TYR HBx 1.0 1.8 4.09 168 88 A 518 TRP H A 517 TYR HBy 1.0 1.8 4.09 169 89 A 517 TYR HD% A 542 ILE HG2% 1.0 1.8 3.87 170 90 A 549 HIS HA A 517 TYR HBx 1.0 1.8 3.74 171 90 A 517 TYR HBy A 549 HIS HA 1.0 1.8 3.74 172 91 A 517 TYR HE% A 518 TRP HA 1.0 1.8 3.83 173 92 A 518 TRP H A 517 TYR HE% 1.0 1.8 5.08 174 93 A 517 TYR H A 523 GLU HGx 1.0 1.8 4.02 175 93 A 517 TYR H A 523 GLU HGy 1.0 1.8 4.02 176 94 A 517 TYR HE% A 542 ILE HG2% 1.0 1.8 3.65 177 95 A 517 TYR HD% A 517 TYR HA 1.0 1.8 3.89 178 96 A 518 TRP H A 517 TYR H 1.0 1.8 4.29 179 97 A 517 TYR HE% A 517 TYR H 1.0 1.8 4.67 180 98 A 517 TYR HD% A 517 TYR H 1.0 1.8 4.17 181 99 A 517 TYR H A 517 TYR HBx 1.0 1.8 3.50 182 99 A 517 TYR HBy A 517 TYR H 1.0 1.8 3.50 183 100 A 518 TRP HA A 519 THR HA 1.0 1.8 4.41 184 101 A 518 TRP H A 518 TRP HE3 1.0 1.8 4.66 185 102 A 518 TRP HE1 A 519 THR HG2% 1.0 1.8 5.13 186 103 A 518 TRP H A 518 TRP HBx 1.0 1.8 3.97 187 103 A 518 TRP H A 518 TRP HBy 1.0 1.8 3.97 188 104 A 519 THR H A 518 TRP HBx 1.0 1.8 4.17 189 104 A 518 TRP HBy A 519 THR H 1.0 1.8 4.17 190 105 A 518 TRP HA A 518 TRP HD1 1.0 1.8 4.25 191 106 A 518 TRP HD1 A 523 GLU HGx 1.0 1.8 4.68 192 106 A 523 GLU HGy A 518 TRP HD1 1.0 1.8 4.68 193 107 A 518 TRP H A 519 THR H 1.0 1.8 4.25 194 108 A 518 TRP H A 519 THR HG2% 1.0 1.8 5.13 195 109 A 518 TRP HA A 519 THR HB 1.0 1.8 4.66 196 110 A 518 TRP HD1 A 521 GLN HGx 1.0 1.8 4.90 197 110 A 518 TRP HD1 A 521 GLN HGy 1.0 1.8 4.90 198 111 A 519 THR HG2% A 518 TRP HD1 1.0 1.8 4.99 199 112 A 518 TRP HA A 519 THR HG2% 1.0 1.8 4.25 200 113 A 518 TRP HA A 520 THR H 1.0 1.8 4.40 201 114 A 518 TRP HE3 A 518 TRP HA 1.0 1.8 4.09 202 115 A 518 TRP HE3 A 523 GLU HGx 1.0 1.8 4.88 203 115 A 518 TRP HE3 A 523 GLU HGy 1.0 1.8 4.88 204 116 A 518 TRP HE3 A 519 THR HG2% 1.0 1.8 4.98 205 117 A 519 THR HG2% A 519 THR H 1.0 1.8 3.54 206 118 A 519 THR H A 519 THR HB 1.0 1.8 4.18 207 119 A 519 THR HA A 519 THR HG2% 1.0 1.8 3.39 208 120 A 519 THR HG2% A 521 GLN H 1.0 1.8 4.50 209 121 A 520 THR H A 520 THR HG2% 1.0 1.8 3.66 210 122 A 520 THR HG2% A 520 THR HA 1.0 1.8 3.54 211 123 A 521 GLN H A 520 THR HB 1.0 1.8 4.02 212 124 A 520 THR HG2% A 522 ASP H 1.0 1.8 4.70 213 125 A 520 THR H A 520 THR HB 1.0 1.8 3.47 214 126 A 520 THR H A 521 GLN H 1.0 1.8 3.96 215 127 A 521 GLN H A 520 THR HA 1.0 1.8 3.56 216 128 A 520 THR H A 521 GLN HBx 1.0 1.8 4.70 217 128 A 520 THR H A 521 GLN HBy 1.0 1.8 4.70 218 129 A 521 GLN H A 520 THR HG2% 1.0 1.8 3.99 219 130 A 520 THR HG2% A 521 GLN HA 1.0 1.8 2.91 220 131 A 522 ASP H A 521 GLN HBx 1.0 1.8 3.91 221 131 A 522 ASP H A 521 GLN HBy 1.0 1.8 3.91 222 132 A 521 GLN H A 521 GLN HGx 1.0 1.8 3.81 223 132 A 521 GLN HGy A 521 GLN H 1.0 1.8 3.81 224 133 A 522 ASP H A 521 GLN HGx 1.0 1.8 4.16 225 133 A 521 GLN HGy A 522 ASP H 1.0 1.8 4.16 226 134 A 522 ASP H A 521 GLN HA 1.0 1.8 3.24 227 135 A 521 GLN H A 521 GLN HBx 1.0 1.8 3.53 228 135 A 521 GLN H A 521 GLN HBy 1.0 1.8 3.53 229 136 A 522 ASP HA A 521 GLN HGx 1.0 1.8 4.79 230 136 A 521 GLN HGy A 522 ASP HA 1.0 1.8 4.79 231 137 A 521 GLN HA A 522 ASP HBx 1.0 1.8 4.56 232 137 A 521 GLN HA A 522 ASP HBy 1.0 1.8 4.56 233 138 A 522 ASP HA A 521 GLN HBx 1.0 1.8 4.62 234 138 A 521 GLN HBy A 522 ASP HA 1.0 1.8 4.62 235 139 A 521 GLN HA A 521 GLN HGx 1.0 1.8 3.82 236 139 A 521 GLN HGy A 521 GLN HA 1.0 1.8 3.82 237 140 A 521 GLN HBy A 521 GLN HGx 1.0 1.8 2.91 238 140 A 521 GLN HBx A 521 GLN HGx 1.0 1.8 2.91 239 140 A 521 GLN HGy A 521 GLN HBx 1.0 1.8 2.91 240 140 A 521 GLN HGy A 521 GLN HBy 1.0 1.8 2.91 241 141 A 522 ASP H A 522 ASP HBx 1.0 1.8 3.37 242 141 A 522 ASP H A 522 ASP HBy 1.0 1.8 3.37 243 142 A 522 ASP HA A 525 ALA HB% 1.0 1.8 4.37 244 143 A 523 GLU H A 522 ASP HBx 1.0 1.8 3.84 245 143 A 522 ASP HBy A 523 GLU H 1.0 1.8 3.84 246 144 A 522 ASP H A 525 ALA HB% 1.0 1.8 4.18 247 145 A 525 ALA H A 522 ASP HBx 1.0 1.8 5.17 248 145 A 522 ASP HBy A 525 ALA H 1.0 1.8 5.17 249 146 A 522 ASP HA A 524 GLY H 1.0 1.8 4.75 250 147 A 522 ASP HA A 523 GLU H 1.0 1.8 3.35 251 148 A 524 GLY H A 522 ASP HBx 1.0 1.8 5.06 252 148 A 522 ASP HBy A 524 GLY H 1.0 1.8 5.06 253 149 A 523 GLU H A 524 GLY HAx 1.0 1.8 4.92 254 149 A 523 GLU H A 524 GLY HAy 1.0 1.8 4.92 255 150 A 525 ALA H A 523 GLU HBx 1.0 1.8 4.86 256 150 A 525 ALA H A 523 GLU HBy 1.0 1.8 4.86 257 151 A 523 GLU H A 523 GLU HBx 1.0 1.8 3.25 258 151 A 523 GLU H A 523 GLU HBy 1.0 1.8 3.25 259 152 A 523 GLU HBx A 523 GLU HGx 1.0 1.8 2.62 260 152 A 523 GLU HBy A 523 GLU HGx 1.0 1.8 2.62 261 152 A 523 GLU HGy A 523 GLU HBx 1.0 1.8 2.62 262 152 A 523 GLU HGy A 523 GLU HBy 1.0 1.8 2.62 263 153 A 524 GLY H A 523 GLU HGx 1.0 1.8 4.52 264 153 A 523 GLU HGy A 524 GLY H 1.0 1.8 4.52 265 154 A 525 ALA HB% A 523 GLU HGx 1.0 1.8 4.66 266 154 A 523 GLU HGy A 525 ALA HB% 1.0 1.8 4.66 267 155 A 523 GLU H A 523 GLU HGx 1.0 1.8 3.60 268 155 A 523 GLU HGy A 523 GLU H 1.0 1.8 3.60 269 156 A 523 GLU HA A 523 GLU HGx 1.0 1.8 3.54 270 156 A 523 GLU HGy A 523 GLU HA 1.0 1.8 3.54 271 157 A 524 GLY H A 523 GLU HBx 1.0 1.8 3.91 272 157 A 524 GLY H A 523 GLU HBy 1.0 1.8 3.91 273 158 A 524 GLY H A 523 GLU HA 1.0 1.8 3.54 274 159 A 523 GLU HGx A 524 GLY HAx 1.0 1.8 4.67 275 159 A 523 GLU HGy A 524 GLY HAx 1.0 1.8 4.67 276 159 A 524 GLY HAy A 523 GLU HGx 1.0 1.8 4.67 277 159 A 523 GLU HGy A 524 GLY HAy 1.0 1.8 4.67 278 160 A 525 ALA H A 524 GLY H 1.0 1.8 3.44 279 161 A 526 ALA H A 524 GLY HAx 1.0 1.8 4.47 280 161 A 524 GLY HAy A 526 ALA H 1.0 1.8 4.47 281 162 A 525 ALA HA A 524 GLY HAx 1.0 1.8 4.26 282 162 A 524 GLY HAy A 525 ALA HA 1.0 1.8 4.26 283 163 A 525 ALA H A 524 GLY HAx 1.0 1.8 3.25 284 163 A 525 ALA H A 524 GLY HAy 1.0 1.8 3.25 285 164 A 524 GLY H A 525 ALA HA 1.0 1.8 4.63 286 165 A 525 ALA HB% A 524 GLY H 1.0 1.8 4.72 287 166 A 525 ALA HB% A 527 ILE HG2% 1.0 1.8 3.38 288 167 A 525 ALA HB% A 525 ALA H 1.0 1.8 3.02 289 168 A 525 ALA H A 552 ASP HA 1.0 1.8 5.03 290 169 A 525 ALA H A 526 ALA H 1.0 1.8 3.63 291 170 A 527 ILE HG2% A 526 ALA HA 1.0 1.8 3.68 292 171 A 526 ALA H A 526 ALA HB% 1.0 1.8 2.88 293 172 A 526 ALA HA A 528 GLY H 1.0 1.8 4.67 294 173 A 526 ALA HB% A 527 ILE H 1.0 1.8 3.56 295 174 A 526 ALA HA A 527 ILE HA 1.0 1.8 4.49 296 175 A 526 ALA HA A 527 ILE HB 1.0 1.8 4.79 297 176 A 526 ALA HA A 527 ILE H 1.0 1.8 3.34 298 177 A 526 ALA H A 528 GLY H 1.0 1.8 4.44 299 178 A 527 ILE HG2% A 529 ALA H 1.0 1.8 4.61 300 179 A 527 ILE HD1% A 529 ALA HA 1.0 1.8 4.14 301 180 A 527 ILE HG2% A 528 GLY H 1.0 1.8 4.34 302 181 A 527 ILE HG2% A 527 ILE HA 1.0 1.8 3.03 303 182 A 527 ILE HG2% A 527 ILE HG1y 1.0 1.8 3.09 304 182 A 527 ILE HG2% A 527 ILE HG1x 1.0 1.8 3.09 305 183 A 528 GLY H A 527 ILE HB 1.0 1.8 4.32 306 184 A 527 ILE HG2% A 529 ALA HB% 1.0 1.8 3.31 307 185 A 527 ILE H A 527 ILE HB 1.0 1.8 3.37 308 186 A 527 ILE HG2% A 527 ILE H 1.0 1.8 3.88 309 187 A 527 ILE H A 528 GLY HAx 1.0 1.8 3.48 310 187 A 527 ILE H A 528 GLY HAy 1.0 1.8 3.48 311 188 A 528 GLY H A 527 ILE H 1.0 1.8 3.83 312 189 A 527 ILE HD1% A 529 ALA HB% 1.0 1.8 3.19 313 190 A 529 ALA H A 528 GLY HAx 1.0 1.8 3.44 314 190 A 529 ALA H A 528 GLY HAy 1.0 1.8 3.44 315 191 A 528 GLY HAx A 536 GLY HA2 1.0 1.8 3.52 316 191 A 536 GLY HA3 A 528 GLY HAx 1.0 1.8 3.52 317 191 A 528 GLY HAy A 536 GLY HA3 1.0 1.8 3.52 318 191 A 528 GLY HAy A 536 GLY HA2 1.0 1.8 3.52 319 192 A 528 GLY H A 529 ALA HB% 1.0 1.8 4.74 320 193 A 531 TRP H A 528 GLY HAx 1.0 1.8 4.82 321 193 A 528 GLY HAy A 531 TRP H 1.0 1.8 4.82 322 194 A 528 GLY H A 529 ALA H 1.0 1.8 3.87 323 195 A 529 ALA HB% A 528 GLY HAx 1.0 1.8 4.23 324 195 A 529 ALA HB% A 528 GLY HAy 1.0 1.8 4.23 325 196 A 529 ALA H A 530 ALA H 1.0 1.8 3.59 326 197 A 529 ALA H A 529 ALA HB% 1.0 1.8 3.04 327 198 A 530 ALA H A 531 TRP HD1 1.0 1.8 5.31 328 199 A 530 ALA HA A 532 ILE H 1.0 1.8 4.72 329 200 A 530 ALA H A 531 TRP HBx 1.0 1.8 4.74 330 200 A 530 ALA H A 531 TRP HBy 1.0 1.8 4.74 331 201 A 531 TRP H A 530 ALA HB% 1.0 1.8 3.84 332 202 A 531 TRP H A 530 ALA H 1.0 1.8 3.75 333 203 A 530 ALA HB% A 532 ILE HA 1.0 1.8 4.86 334 204 A 530 ALA HB% A 532 ILE HB 1.0 1.8 4.31 335 205 A 530 ALA H A 530 ALA HB% 1.0 1.8 3.14 336 206 A 532 ILE H A 530 ALA HB% 1.0 1.8 3.91 337 207 A 531 TRP HD1 A 530 ALA HB% 1.0 1.8 4.20 338 208 A 530 ALA HB% A 532 ILE HG2% 1.0 1.8 3.85 339 209 A 531 TRP H A 531 TRP HBx 1.0 1.8 3.61 340 209 A 531 TRP H A 531 TRP HBy 1.0 1.8 3.61 341 210 A 531 TRP H A 531 TRP HD1 1.0 1.8 4.05 342 211 A 531 TRP HA A 533 PRO HDx 1.0 1.8 3.35 343 211 A 531 TRP HA A 533 PRO HDy 1.0 1.8 3.35 344 212 A 534 TYR HD% A 531 TRP HBx 1.0 1.8 4.46 345 212 A 531 TRP HBy A 534 TYR HD% 1.0 1.8 4.46 346 213 A 531 TRP HA A 534 TYR HD% 1.0 1.8 4.31 347 214 A 531 TRP HD1 A 532 ILE HG2% 1.0 1.8 4.21 348 215 A 532 ILE H A 531 TRP HBx 1.0 1.8 4.17 349 215 A 532 ILE H A 531 TRP HBy 1.0 1.8 4.17 350 216 A 531 TRP HD1 A 531 TRP HBx 1.0 1.8 3.79 351 216 A 531 TRP HD1 A 531 TRP HBy 1.0 1.8 3.79 352 217 A 531 TRP H A 532 ILE H 1.0 1.8 3.82 353 218 A 531 TRP HD1 A 532 ILE HD1% 1.0 1.8 4.57 354 219 A 531 TRP HD1 A 532 ILE HA 1.0 1.8 4.21 355 220 A 531 TRP H A 532 ILE HB 1.0 1.8 4.96 356 221 A 532 ILE HA A 531 TRP HBx 1.0 1.8 4.85 357 221 A 531 TRP HBy A 532 ILE HA 1.0 1.8 4.85 358 222 A 531 TRP H A 532 ILE HG2% 1.0 1.8 4.86 359 223 A 532 ILE HB A 531 TRP HBx 1.0 1.8 4.68 360 223 A 531 TRP HBy A 532 ILE HB 1.0 1.8 4.68 361 224 A 532 ILE HG2% A 531 TRP HA 1.0 1.8 4.18 362 225 A 531 TRP HD1 A 531 TRP HA 1.0 1.8 4.13 363 226 A 532 ILE H A 532 ILE HG2% 1.0 1.8 3.95 364 227 A 532 ILE HG2% A 533 PRO HBx 1.0 1.8 4.52 365 227 A 532 ILE HG2% A 533 PRO HBy 1.0 1.8 4.52 366 228 A 532 ILE H A 533 PRO HDx 1.0 1.8 4.52 367 228 A 532 ILE H A 533 PRO HDy 1.0 1.8 4.52 368 229 A 532 ILE H A 532 ILE HB 1.0 1.8 3.72 369 230 A 532 ILE HG2% A 533 PRO HDx 1.0 1.8 5.24 370 230 A 532 ILE HG2% A 533 PRO HDy 1.0 1.8 5.24 371 231 A 532 ILE HG2% A 533 PRO HA 1.0 1.8 4.87 372 232 A 532 ILE HA A 535 PHE H 1.0 1.8 4.79 373 233 A 532 ILE HD1% A 540 GLU HA 1.0 1.8 4.80 374 234 A 532 ILE H A 533 PRO HA 1.0 1.8 4.16 375 235 A 532 ILE HA A 532 ILE HG2% 1.0 1.8 3.98 376 236 A 532 ILE H A 533 PRO HBx 1.0 1.8 5.28 377 236 A 532 ILE H A 533 PRO HBy 1.0 1.8 5.28 378 237 A 532 ILE HG2% A 533 PRO HGx 1.0 1.8 4.49 379 237 A 532 ILE HG2% A 533 PRO HGy 1.0 1.8 4.49 380 238 A 534 TYR H A 533 PRO HGx 1.0 1.8 5.20 381 238 A 533 PRO HGy A 534 TYR H 1.0 1.8 5.20 382 239 A 533 PRO HA A 538 ALA HB% 1.0 1.8 4.05 383 240 A 534 TYR HD% A 534 TYR H 1.0 1.8 4.10 384 241 A 534 TYR H A 534 TYR HBx 1.0 1.8 3.82 385 241 A 534 TYR H A 534 TYR HBy 1.0 1.8 3.82 386 242 A 535 PHE H A 534 TYR HBx 1.0 1.8 4.06 387 242 A 535 PHE H A 534 TYR HBy 1.0 1.8 4.06 388 243 A 535 PHE H A 534 TYR H 1.0 1.8 3.96 389 244 A 534 TYR H A 538 ALA HB% 1.0 1.8 5.05 390 245 A 534 TYR HD% A 534 TYR HA 1.0 1.8 3.91 391 246 A 538 ALA HB% A 535 PHE HBx 1.0 1.8 5.04 392 247 A 535 PHE H A 538 ALA HB% 1.0 1.8 4.76 393 248 A 535 PHE HA A 535 PHE HD% 1.0 1.8 4.20 394 249 A 538 ALA HB% A 535 PHE HA 1.0 1.8 4.11 395 250 A 536 GLY H A 535 PHE HBx 1.0 1.8 5.22 396 251 A 538 ALA HB% A 535 PHE HBy 1.0 1.8 5.04 397 252 A 540 GLU HA A 535 PHE HBy 1.0 1.8 4.46 398 252 A 540 GLU HA A 535 PHE HBx 1.0 1.8 4.46 399 253 A 535 PHE H A 535 PHE HBx 1.0 1.8 4.07 400 254 A 535 PHE H A 535 PHE HBy 1.0 1.8 3.42 401 254 A 535 PHE H A 535 PHE HBx 1.0 1.8 3.42 402 255 A 535 PHE H A 535 PHE HD% 1.0 1.8 4.65 403 256 A 536 GLY H A 535 PHE HBy 1.0 1.8 5.22 404 257 A 535 PHE H A 535 PHE HBy 1.0 1.8 4.07 405 258 A 539 ALA HB% A 535 PHE HBy 1.0 1.8 4.37 406 258 A 535 PHE HBx A 539 ALA HB% 1.0 1.8 4.37 407 259 A 538 ALA HB% A 535 PHE HBy 1.0 1.8 4.29 408 259 A 538 ALA HB% A 535 PHE HBx 1.0 1.8 4.29 409 260 A 536 GLY HA3 A 537 PRO HDx 1.0 1.8 4.08 410 260 A 536 GLY HA2 A 537 PRO HDx 1.0 1.8 4.08 411 260 A 537 PRO HDy A 536 GLY HA2 1.0 1.8 4.08 412 260 A 536 GLY HA3 A 537 PRO HDy 1.0 1.8 4.08 413 261 A 536 GLY HA3 A 537 PRO HGx 1.0 1.8 5.17 414 261 A 536 GLY HA2 A 537 PRO HGx 1.0 1.8 5.17 415 261 A 537 PRO HGy A 536 GLY HA2 1.0 1.8 5.17 416 261 A 536 GLY HA3 A 537 PRO HGy 1.0 1.8 5.17 417 262 A 536 GLY H A 537 PRO HDx 1.0 1.8 4.40 418 262 A 536 GLY H A 537 PRO HDy 1.0 1.8 4.40 419 263 A 537 PRO HA A 542 ILE HD1% 1.0 1.8 4.93 420 264 A 538 ALA HB% A 537 PRO HA 1.0 1.8 4.63 421 265 A 537 PRO HA A 540 GLU HGx 1.0 1.8 3.57 422 265 A 537 PRO HA A 540 GLU HGy 1.0 1.8 3.57 423 266 A 538 ALA HB% A 537 PRO HGx 1.0 1.8 3.85 424 266 A 538 ALA HB% A 537 PRO HGy 1.0 1.8 3.85 425 267 A 537 PRO HA A 540 GLU H 1.0 1.8 4.39 426 268 A 537 PRO HA A 540 GLU HBx 1.0 1.8 3.77 427 268 A 537 PRO HA A 540 GLU HBy 1.0 1.8 3.77 428 269 A 539 ALA H A 537 PRO HGx 1.0 1.8 4.90 429 269 A 537 PRO HGy A 539 ALA H 1.0 1.8 4.90 430 270 A 537 PRO HDx A 540 GLU HGx 1.0 1.8 4.71 431 270 A 537 PRO HDy A 540 GLU HGx 1.0 1.8 4.71 432 270 A 540 GLU HGy A 537 PRO HDx 1.0 1.8 4.71 433 270 A 537 PRO HDy A 540 GLU HGy 1.0 1.8 4.71 434 271 A 538 ALA H A 537 PRO HDx 1.0 1.8 4.38 435 271 A 537 PRO HDy A 538 ALA H 1.0 1.8 4.38 436 272 A 538 ALA HA A 537 PRO HDx 1.0 1.8 4.83 437 272 A 537 PRO HDy A 538 ALA HA 1.0 1.8 4.83 438 273 A 538 ALA H A 540 GLU HGx 1.0 1.8 4.56 439 273 A 540 GLU HGy A 538 ALA H 1.0 1.8 4.56 440 274 A 538 ALA H A 540 GLU HBx 1.0 1.8 4.42 441 274 A 540 GLU HBy A 538 ALA H 1.0 1.8 4.42 442 275 A 538 ALA HB% A 539 ALA H 1.0 1.8 3.30 443 276 A 538 ALA HB% A 542 ILE HD1% 1.0 1.8 3.89 444 277 A 539 ALA H A 538 ALA H 1.0 1.8 3.48 445 278 A 538 ALA H A 539 ALA HA 1.0 1.8 4.25 446 279 A 538 ALA H A 542 ILE HB 1.0 1.8 4.10 447 280 A 538 ALA HB% A 538 ALA H 1.0 1.8 3.21 448 281 A 542 ILE HG2% A 538 ALA H 1.0 1.8 4.86 449 282 A 539 ALA HA A 542 ILE HG1x 1.0 1.8 4.81 450 282 A 539 ALA HA A 542 ILE HG1y 1.0 1.8 4.81 451 283 A 539 ALA HB% A 540 GLU H 1.0 1.8 3.68 452 284 A 539 ALA HA A 543 TYR HBx 1.0 1.8 4.63 453 284 A 539 ALA HA A 543 TYR HBy 1.0 1.8 4.63 454 285 A 539 ALA HB% A 539 ALA H 1.0 1.8 3.00 455 286 A 539 ALA HA A 542 ILE HB 1.0 1.8 4.40 456 287 A 539 ALA HB% A 541 GLY H 1.0 1.8 4.39 457 288 A 540 GLU HA A 539 ALA HB% 1.0 1.8 4.72 458 289 A 539 ALA HB% A 540 GLU HGx 1.0 1.8 4.84 459 289 A 539 ALA HB% A 540 GLU HGy 1.0 1.8 4.84 460 290 A 542 ILE HD1% A 539 ALA HA 1.0 1.8 4.02 461 291 A 542 ILE HD1% A 539 ALA H 1.0 1.8 4.76 462 292 A 542 ILE HG2% A 539 ALA HB% 1.0 1.8 3.50 463 293 A 542 ILE HG2% A 540 GLU H 1.0 1.8 5.16 464 294 A 540 GLU H A 540 GLU HGx 1.0 1.8 4.07 465 294 A 540 GLU HGy A 540 GLU H 1.0 1.8 4.07 466 295 A 541 GLY H A 540 GLU HGx 1.0 1.8 4.10 467 295 A 540 GLU HGy A 541 GLY H 1.0 1.8 4.10 468 296 A 540 GLU H A 540 GLU HBx 1.0 1.8 3.36 469 296 A 540 GLU H A 540 GLU HBy 1.0 1.8 3.36 470 297 A 541 GLY H A 540 GLU HBx 1.0 1.8 3.84 471 297 A 540 GLU HBy A 541 GLY H 1.0 1.8 3.84 472 298 A 542 ILE HG2% A 541 GLY H 1.0 1.8 4.92 473 299 A 541 GLY H A 542 ILE H 1.0 1.8 3.36 474 300 A 541 GLY H A 543 TYR HE% 1.0 1.8 3.81 475 301 A 542 ILE HG2% A 545 GLU H 1.0 1.8 4.78 476 302 A 542 ILE HG2% A 545 GLU HBx 1.0 1.8 4.06 477 302 A 542 ILE HG2% A 545 GLU HBy 1.0 1.8 4.06 478 303 A 542 ILE HG2% A 543 TYR HA 1.0 1.8 4.25 479 304 A 543 TYR H A 542 ILE HG1x 1.0 1.8 4.90 480 304 A 542 ILE HG1y A 543 TYR H 1.0 1.8 4.90 481 305 A 542 ILE HG2% A 543 TYR HBx 1.0 1.8 5.04 482 305 A 542 ILE HG2% A 543 TYR HBy 1.0 1.8 5.04 483 306 A 542 ILE HG1y A 542 ILE H 1.0 1.8 4.18 484 307 A 542 ILE HG1y A 545 GLU HBx 1.0 1.8 4.47 485 307 A 542 ILE HG1x A 545 GLU HBx 1.0 1.8 4.47 486 307 A 545 GLU HBy A 542 ILE HG1x 1.0 1.8 4.47 487 307 A 542 ILE HG1y A 545 GLU HBy 1.0 1.8 4.47 488 308 A 542 ILE HA A 545 GLU HGx 1.0 1.8 4.91 489 308 A 542 ILE HA A 545 GLU HGy 1.0 1.8 4.91 490 309 A 542 ILE HA A 542 ILE HG1x 1.0 1.8 4.18 491 310 A 542 ILE HG2% A 542 ILE HG1x 1.0 1.8 3.41 492 311 A 542 ILE HG1y A 542 ILE HA 1.0 1.8 4.18 493 312 A 542 ILE HG2% A 545 GLU HGx 1.0 1.8 4.65 494 312 A 542 ILE HG2% A 545 GLU HGy 1.0 1.8 4.65 495 313 A 542 ILE H A 542 ILE HG1x 1.0 1.8 3.45 496 313 A 542 ILE HG1y A 542 ILE H 1.0 1.8 3.45 497 314 A 542 ILE HG2% A 542 ILE H 1.0 1.8 3.80 498 315 A 542 ILE HB A 543 TYR HD% 1.0 1.8 4.61 499 316 A 542 ILE HG2% A 543 TYR H 1.0 1.8 3.74 500 317 A 542 ILE HG2% A 543 TYR HD% 1.0 1.8 4.03 501 318 A 542 ILE HB A 543 TYR H 1.0 1.8 3.90 502 319 A 542 ILE HB A 543 TYR HA 1.0 1.8 4.88 503 320 A 542 ILE HB A 542 ILE H 1.0 1.8 3.53 504 321 A 542 ILE HG2% A 542 ILE HG1y 1.0 1.8 3.41 505 322 A 542 ILE HD1% A 542 ILE HA 1.0 1.8 3.59 506 323 A 542 ILE HD1% A 542 ILE HB 1.0 1.8 3.25 507 324 A 542 ILE H A 542 ILE HG1x 1.0 1.8 4.18 508 325 A 542 ILE HG2% A 542 ILE HA 1.0 1.8 3.44 509 326 A 542 ILE HA A 545 GLU HBx 1.0 1.8 4.45 510 326 A 545 GLU HBy A 542 ILE HA 1.0 1.8 4.45 511 327 A 543 TYR H A 543 TYR HD% 1.0 1.8 3.69 512 328 A 544 ALA HB% A 543 TYR HBx 1.0 1.8 4.95 513 328 A 543 TYR HBy A 544 ALA HB% 1.0 1.8 4.95 514 329 A 543 TYR HD% A 544 ALA HB% 1.0 1.8 4.06 515 330 A 543 TYR HA A 550 ASN H 1.0 1.8 4.79 516 331 A 544 ALA H A 543 TYR HBx 1.0 1.8 4.15 517 331 A 543 TYR HBy A 544 ALA H 1.0 1.8 4.15 518 332 A 543 TYR HE% A 544 ALA HB% 1.0 1.8 4.14 519 333 A 543 TYR HD% A 544 ALA HA 1.0 1.8 4.00 520 334 A 543 TYR HD% A 544 ALA H 1.0 1.8 4.67 521 335 A 543 TYR H A 543 TYR HBx 1.0 1.8 3.60 522 335 A 543 TYR HBy A 543 TYR H 1.0 1.8 3.60 523 336 A 543 TYR HA A 543 TYR HD% 1.0 1.8 3.55 524 337 A 544 ALA H A 545 GLU HGx 1.0 1.8 5.11 525 337 A 545 GLU HGy A 544 ALA H 1.0 1.8 5.11 526 338 A 545 GLU H A 544 ALA H 1.0 1.8 3.32 527 339 A 544 ALA HB% A 545 GLU HGx 1.0 1.8 4.21 528 339 A 545 GLU HGy A 544 ALA HB% 1.0 1.8 4.21 529 340 A 544 ALA H A 545 GLU HBx 1.0 1.8 5.15 530 340 A 545 GLU HBy A 544 ALA H 1.0 1.8 5.15 531 341 A 544 ALA HB% A 546 GLY H 1.0 1.8 4.60 532 342 A 544 ALA HB% A 544 ALA H 1.0 1.8 3.13 533 343 A 545 GLU H A 544 ALA HB% 1.0 1.8 3.55 534 344 A 546 GLY H A 545 GLU HGx 1.0 1.8 4.69 535 344 A 545 GLU HGy A 546 GLY H 1.0 1.8 4.69 536 345 A 545 GLU HGy A 546 GLY HAx 1.0 1.8 4.60 537 345 A 545 GLU HGx A 546 GLY HAx 1.0 1.8 4.60 538 345 A 546 GLY HAy A 545 GLU HGx 1.0 1.8 4.60 539 345 A 545 GLU HGy A 546 GLY HAy 1.0 1.8 4.60 540 346 A 550 ASN HA A 545 GLU HBx 1.0 1.8 4.44 541 346 A 545 GLU HBy A 550 ASN HA 1.0 1.8 4.44 542 347 A 545 GLU HGx A 547 LEU HDx% 1.0 1.8 3.75 543 347 A 547 LEU HDy% A 545 GLU HGx 1.0 1.8 3.75 544 347 A 545 GLU HGy A 547 LEU HDy% 1.0 1.8 3.75 545 347 A 545 GLU HGy A 547 LEU HDx% 1.0 1.8 3.75 546 348 A 545 GLU HA A 545 GLU HGx 1.0 1.8 3.93 547 348 A 545 GLU HGy A 545 GLU HA 1.0 1.8 3.93 548 349 A 545 GLU H A 545 GLU HGx 1.0 1.8 3.74 549 349 A 545 GLU H A 545 GLU HGy 1.0 1.8 3.74 550 350 A 546 GLY H A 545 GLU HBx 1.0 1.8 3.98 551 350 A 545 GLU HBy A 546 GLY H 1.0 1.8 3.98 552 351 A 545 GLU H A 546 GLY HAx 1.0 1.8 4.31 553 351 A 545 GLU H A 546 GLY HAy 1.0 1.8 4.31 554 352 A 545 GLU H A 545 GLU HBx 1.0 1.8 3.40 555 352 A 545 GLU H A 545 GLU HBy 1.0 1.8 3.40 556 353 A 546 GLY HAx A 547 LEU HDx% 1.0 1.8 4.13 557 353 A 546 GLY HAy A 547 LEU HDx% 1.0 1.8 4.13 558 353 A 547 LEU HDy% A 546 GLY HAx 1.0 1.8 4.13 559 353 A 546 GLY HAy A 547 LEU HDy% 1.0 1.8 4.13 560 354 A 548 MET H A 546 GLY HAx 1.0 1.8 4.76 561 354 A 546 GLY HAy A 548 MET H 1.0 1.8 4.76 562 355 A 546 GLY H A 547 LEU HDx% 1.0 1.8 4.71 563 355 A 546 GLY H A 547 LEU HDy% 1.0 1.8 4.71 564 356 A 546 GLY H A 547 LEU H 1.0 1.8 3.73 565 357 A 549 HIS H A 547 LEU HDx% 1.0 1.8 5.01 566 357 A 547 LEU HDy% A 549 HIS H 1.0 1.8 5.01 567 358 A 547 LEU HA A 547 LEU HDx% 1.0 1.8 3.27 568 358 A 547 LEU HDy% A 547 LEU HA 1.0 1.8 3.27 569 359 A 549 HIS H A 547 LEU HG 1.0 1.8 5.06 570 360 A 547 LEU H A 547 LEU HBx 1.0 1.8 3.50 571 360 A 547 LEU H A 547 LEU HBy 1.0 1.8 3.50 572 361 A 547 LEU HDy% A 548 MET HG2 1.0 1.8 5.05 573 361 A 547 LEU HDx% A 548 MET HG2 1.0 1.8 5.05 574 361 A 548 MET HG3 A 547 LEU HDx% 1.0 1.8 5.05 575 361 A 547 LEU HDy% A 548 MET HG3 1.0 1.8 5.05 576 362 A 547 LEU HG A 548 MET HG2 1.0 1.8 4.89 577 362 A 547 LEU HG A 548 MET HG3 1.0 1.8 4.89 578 363 A 547 LEU HBx A 547 LEU HDx% 1.0 1.8 2.79 579 363 A 547 LEU HBy A 547 LEU HDx% 1.0 1.8 2.79 580 363 A 547 LEU HDy% A 547 LEU HBx 1.0 1.8 2.79 581 363 A 547 LEU HDy% A 547 LEU HBy 1.0 1.8 2.79 582 364 A 547 LEU H A 547 LEU HDx% 1.0 1.8 4.13 583 364 A 547 LEU HDy% A 547 LEU H 1.0 1.8 4.13 584 365 A 549 HIS HA A 547 LEU HDx% 1.0 1.8 4.15 585 365 A 549 HIS HA A 547 LEU HDy% 1.0 1.8 4.15 586 366 A 548 MET H A 547 LEU HDx% 1.0 1.8 4.20 587 366 A 547 LEU HDy% A 548 MET H 1.0 1.8 4.20 588 367 A 548 MET HA A 547 LEU HDx% 1.0 1.8 4.31 589 367 A 547 LEU HDy% A 548 MET HA 1.0 1.8 4.31 590 368 A 548 MET H A 547 LEU HBx 1.0 1.8 3.95 591 368 A 548 MET H A 547 LEU HBy 1.0 1.8 3.95 592 369 A 548 MET H A 548 MET HBx 1.0 1.8 3.59 593 369 A 548 MET H A 548 MET HBy 1.0 1.8 3.59 594 370 A 548 MET H A 548 MET HG2 1.0 1.8 3.99 595 370 A 548 MET H A 548 MET HG3 1.0 1.8 3.99 596 371 A 549 HIS H A 548 MET HG2 1.0 1.8 5.25 597 371 A 549 HIS H A 548 MET HG3 1.0 1.8 5.25 598 372 A 549 HIS H A 548 MET HBx 1.0 1.8 4.24 599 372 A 549 HIS H A 548 MET HBy 1.0 1.8 4.24 600 373 A 549 HIS H A 549 HIS HBy 1.0 1.8 3.66 601 373 A 549 HIS H A 549 HIS HBx 1.0 1.8 3.66 602 374 A 549 HIS HA A 549 HIS HE1 1.0 1.8 4.20 603 375 A 550 ASN H A 549 HIS HBy 1.0 1.8 4.92 604 376 A 549 HIS HBy A 551 GLN HGx 1.0 1.8 4.72 605 376 A 549 HIS HBx A 551 GLN HGx 1.0 1.8 4.72 606 376 A 551 GLN HGy A 549 HIS HBy 1.0 1.8 4.72 607 376 A 551 GLN HGy A 549 HIS HBx 1.0 1.8 4.72 608 377 A 550 ASN H A 549 HIS HBx 1.0 1.8 4.92 609 378 A 550 ASN HA A 549 HIS HBy 1.0 1.8 4.64 610 378 A 550 ASN HA A 549 HIS HBx 1.0 1.8 4.64 611 379 A 550 ASN HA A 551 GLN HGx 1.0 1.8 4.30 612 379 A 551 GLN HGy A 550 ASN HA 1.0 1.8 4.30 613 380 A 550 ASN HA A 551 GLN H 1.0 1.8 3.42 614 381 A 550 ASN H A 551 GLN HGx 1.0 1.8 5.13 615 381 A 551 GLN HGy A 550 ASN H 1.0 1.8 5.13 616 382 A 551 GLN H A 550 ASN HBx 1.0 1.8 4.09 617 382 A 551 GLN H A 550 ASN HBy 1.0 1.8 4.09 618 383 A 550 ASN H A 551 GLN HBx 1.0 1.8 4.88 619 383 A 550 ASN H A 551 GLN HBy 1.0 1.8 4.88 620 384 A 550 ASN H A 550 ASN HBx 1.0 1.8 3.92 621 384 A 550 ASN H A 550 ASN HBy 1.0 1.8 3.92 622 385 A 551 GLN HA A 551 GLN HGx 1.0 1.8 3.82 623 385 A 551 GLN HA A 551 GLN HGy 1.0 1.8 3.82 624 386 A 552 ASP H A 551 GLN HBx 1.0 1.8 4.13 625 386 A 552 ASP H A 551 GLN HBy 1.0 1.8 4.13 626 387 A 551 GLN H A 551 GLN HGx 1.0 1.8 3.87 627 387 A 551 GLN HGy A 551 GLN H 1.0 1.8 3.87 628 388 A 551 GLN H A 551 GLN HBx 1.0 1.8 3.64 629 388 A 551 GLN H A 551 GLN HBy 1.0 1.8 3.64 630 389 A 552 ASP H A 551 GLN HA 1.0 1.8 3.63 631 390 A 551 GLN HBx A 553 GLY HAx 1.0 1.8 4.35 632 390 A 551 GLN HBy A 553 GLY HAx 1.0 1.8 4.35 633 390 A 553 GLY HAy A 551 GLN HBx 1.0 1.8 4.35 634 390 A 551 GLN HBy A 553 GLY HAy 1.0 1.8 4.35 635 391 A 552 ASP H A 552 ASP HBx 1.0 1.8 3.53 636 391 A 552 ASP H A 552 ASP HBy 1.0 1.8 3.53 637 392 A 553 GLY H A 552 ASP HBx 1.0 1.8 4.20 638 392 A 552 ASP HBy A 553 GLY H 1.0 1.8 4.20 639 393 A 555 ILE H A 554 LEU HBx 1.0 1.8 4.01 640 393 A 554 LEU HBy A 555 ILE H 1.0 1.8 4.01 641 394 A 554 LEU HA A 555 ILE HB 1.0 1.8 4.79 642 395 A 554 LEU H A 554 LEU HG 1.0 1.8 3.63 643 396 A 554 LEU H A 554 LEU HDx% 1.0 1.8 4.02 644 396 A 554 LEU HDy% A 554 LEU H 1.0 1.8 4.02 645 397 A 556 CYS H A 554 LEU HBx 1.0 1.8 5.01 646 397 A 554 LEU HBy A 556 CYS H 1.0 1.8 5.01 647 398 A 554 LEU HA A 554 LEU HDx% 1.0 1.8 3.51 648 398 A 554 LEU HDy% A 554 LEU HA 1.0 1.8 3.51 649 399 A 555 ILE H A 555 ILE HG1x 1.0 1.8 4.34 650 400 A 555 ILE HB A 556 CYS H 1.0 1.8 4.35 651 401 A 555 ILE HG2% A 556 CYS HBy 1.0 1.8 3.99 652 401 A 556 CYS HBx A 555 ILE HG2% 1.0 1.8 3.99 653 402 A 555 ILE H A 555 ILE HG1x 1.0 1.8 3.65 654 402 A 555 ILE H A 555 ILE HG1y 1.0 1.8 3.65 655 403 A 555 ILE HA A 556 CYS HBy 1.0 1.8 5.02 656 403 A 556 CYS HBx A 555 ILE HA 1.0 1.8 5.02 657 404 A 555 ILE HD1% A 555 ILE H 1.0 1.8 3.97 658 405 A 555 ILE HA A 555 ILE HD1% 1.0 1.8 3.61 659 406 A 555 ILE H A 555 ILE HB 1.0 1.8 3.73 660 407 A 555 ILE HD1% A 555 ILE HB 1.0 1.8 3.09 661 408 A 556 CYS H A 555 ILE HG2% 1.0 1.8 3.59 662 409 A 555 ILE H A 556 CYS H 1.0 1.8 3.91 663 410 A 555 ILE H A 555 ILE HG1y 1.0 1.8 4.34 664 411 A 555 ILE HD1% A 556 CYS H 1.0 1.8 4.29 665 412 A 556 CYS HBx A 557 GLY H 1.0 1.8 4.61 666 413 A 556 CYS HA A 559 ARG H 1.0 1.8 4.87 667 414 A 557 GLY H A 556 CYS HBy 1.0 1.8 4.61 668 415 A 556 CYS HA A 557 GLY HAx 1.0 1.8 4.49 669 415 A 556 CYS HA A 557 GLY HAy 1.0 1.8 4.49 670 416 A 557 GLY H A 558 LEU HDx% 1.0 1.8 4.73 671 416 A 557 GLY H A 558 LEU HDy% 1.0 1.8 4.73 672 417 A 557 GLY H A 558 LEU HA 1.0 1.8 4.52 673 418 A 557 GLY HAy A 558 LEU HBx 1.0 1.8 5.02 674 418 A 558 LEU HBy A 557 GLY HAx 1.0 1.8 5.02 675 418 A 557 GLY HAy A 558 LEU HBy 1.0 1.8 5.02 676 418 A 557 GLY HAx A 558 LEU HBx 1.0 1.8 5.02 677 419 A 557 GLY H A 558 LEU H 1.0 1.8 4.15 678 420 A 558 LEU HG A 557 GLY HAx 1.0 1.8 4.64 679 420 A 557 GLY HAy A 558 LEU HG 1.0 1.8 4.64 680 421 A 558 LEU H A 558 LEU HBx 1.0 1.8 3.20 681 421 A 558 LEU HBy A 558 LEU H 1.0 1.8 3.20 682 422 A 558 LEU HBy A 558 LEU HDx% 1.0 1.8 3.43 683 422 A 558 LEU HBx A 558 LEU HDx% 1.0 1.8 3.43 684 422 A 558 LEU HDy% A 558 LEU HBx 1.0 1.8 3.43 685 422 A 558 LEU HDy% A 558 LEU HBy 1.0 1.8 3.43 686 423 A 559 ARG H A 558 LEU HDx% 1.0 1.8 3.59 687 423 A 559 ARG H A 558 LEU HDy% 1.0 1.8 3.59 688 424 A 558 LEU H A 558 LEU HG 1.0 1.8 4.20 689 425 A 560 GLN H A 558 LEU HDx% 1.0 1.8 5.19 690 425 A 558 LEU HDy% A 560 GLN H 1.0 1.8 5.19 691 426 A 559 ARG HE A 558 LEU HDx% 1.0 1.8 4.35 692 426 A 558 LEU HDy% A 559 ARG HE 1.0 1.8 4.35 693 427 A 558 LEU HG A 559 ARG HDx 1.0 1.8 4.07 694 427 A 559 ARG HDy A 558 LEU HG 1.0 1.8 4.07 695 428 A 558 LEU HDx% A 559 ARG HDx 1.0 1.8 4.87 696 428 A 559 ARG HDy A 558 LEU HDx% 1.0 1.8 4.87 697 428 A 559 ARG HDy A 558 LEU HDy% 1.0 1.8 4.87 698 428 A 558 LEU HDy% A 559 ARG HDx 1.0 1.8 4.87 699 429 A 558 LEU HDy% A 560 GLN HGx 1.0 1.8 4.36 700 429 A 560 GLN HGy A 558 LEU HDx% 1.0 1.8 4.36 701 429 A 558 LEU HDy% A 560 GLN HGy 1.0 1.8 4.36 702 429 A 558 LEU HDx% A 560 GLN HGx 1.0 1.8 4.36 703 430 A 558 LEU H A 558 LEU HDx% 1.0 1.8 3.92 704 430 A 558 LEU HDy% A 558 LEU H 1.0 1.8 3.92 705 431 A 559 ARG H A 558 LEU HBx 1.0 1.8 3.98 706 431 A 559 ARG H A 558 LEU HBy 1.0 1.8 3.98 707 432 A 558 LEU HDx% A 560 GLN HBy 1.0 1.8 3.60 708 432 A 558 LEU HDy% A 560 GLN HBy 1.0 1.8 3.60 709 432 A 560 GLN HBx A 558 LEU HDx% 1.0 1.8 3.60 710 432 A 558 LEU HDy% A 560 GLN HBx 1.0 1.8 3.60 711 433 A 558 LEU HG A 560 GLN HA 1.0 1.8 4.90 712 434 A 558 LEU HA A 558 LEU HG 1.0 1.8 4.09 713 435 A 559 ARG H A 560 GLN H 1.0 1.8 4.60 714 436 A 560 GLN H A 559 ARG HA 1.0 1.8 3.15 715 437 A 559 ARG HBy A 559 ARG HDx 1.0 1.8 3.96 716 437 A 559 ARG HDy A 559 ARG HBx 1.0 1.8 3.96 717 437 A 559 ARG HDy A 559 ARG HBy 1.0 1.8 3.96 718 437 A 559 ARG HBx A 559 ARG HDx 1.0 1.8 3.96 719 438 A 559 ARG H A 559 ARG HGx 1.0 1.8 3.85 720 438 A 559 ARG H A 559 ARG HGy 1.0 1.8 3.85 721 439 A 560 GLN HA A 559 ARG HBx 1.0 1.8 4.05 722 439 A 560 GLN HA A 559 ARG HBy 1.0 1.8 4.05 723 440 A 560 GLN H A 559 ARG HBx 1.0 1.8 3.52 724 440 A 560 GLN H A 559 ARG HBy 1.0 1.8 3.52 725 441 A 559 ARG H A 559 ARG HDx 1.0 1.8 5.12 726 441 A 559 ARG HDy A 559 ARG H 1.0 1.8 5.12 727 442 A 559 ARG HA A 559 ARG HDx 1.0 1.8 4.19 728 442 A 559 ARG HDy A 559 ARG HA 1.0 1.8 4.19 729 443 A 560 GLN H A 559 ARG HGx 1.0 1.8 4.07 730 443 A 560 GLN H A 559 ARG HGy 1.0 1.8 4.07 731 444 A 559 ARG HH2% A 559 ARG HDx 1.0 1.8 4.34 732 444 A 559 ARG HDy A 559 ARG HH2% 1.0 1.8 4.34 733 445 A 559 ARG HA A 559 ARG HGx 1.0 1.8 4.00 734 445 A 559 ARG HA A 559 ARG HGy 1.0 1.8 4.00 735 446 A 560 GLN H A 560 GLN HGx 1.0 1.8 4.16 736 446 A 560 GLN H A 560 GLN HGy 1.0 1.8 4.16 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 507 ALA C A 508 GLN N A 508 GLN CA A 508 GLN C 1.0 -133.0 -50.8 PHI 2 2 A 513 PRO C A 514 ASN N A 514 ASN CA A 514 ASN C 1.0 -132.7 -49.3 PHI 3 3 A 516 HIS C A 517 TYR N A 517 TYR CA A 517 TYR C 1.0 -100.9 -40.9 PHI 4 4 A 517 TYR C A 518 TRP N A 518 TRP CA A 518 TRP C 1.0 -141.2 -59.6 PHI 5 5 A 523 GLU C A 524 GLY N A 524 GLY CA A 524 GLY C 1.0 56.7 116.7 PHI 6 6 A 524 GLY C A 525 ALA N A 525 ALA CA A 525 ALA C 1.0 -121.1 -57.1 PHI 7 7 A 527 ILE C A 528 GLY N A 528 GLY CA A 528 GLY C 1.0 53.8 114.8 PHI 8 8 A 533 PRO C A 534 TYR N A 534 TYR CA A 534 TYR C 1.0 -97.6 -37.4 PHI 9 9 A 534 TYR C A 535 PHE N A 535 PHE CA A 535 PHE C 1.0 -130.5 -69.5 PHI 10 10 A 540 GLU C A 541 GLY N A 541 GLY CA A 541 GLY C 1.0 48.0 111.2 PHI 11 11 A 541 GLY C A 542 ILE N A 542 ILE CA A 542 ILE C 1.0 -119.0 -26.0 PHI 12 12 A 542 ILE C A 543 TYR N A 543 TYR CA A 543 TYR C 1.0 -94.0 -32.8 PHI 13 13 A 543 TYR C A 544 ALA N A 544 ALA CA A 544 ALA C 1.0 -97.1 -36.5 PHI 14 14 A 544 ALA C A 545 GLU N A 545 GLU CA A 545 GLU C 1.0 -116.6 -54.6 PHI 15 15 A 545 GLU C A 546 GLY N A 546 GLY CA A 546 GLY C 1.0 51.3 112.7 PHI 16 16 A 548 MET C A 549 HIS N A 549 HIS CA A 549 HIS C 1.0 -103.8 -28.6 PHI 17 17 A 549 HIS C A 550 ASN N A 550 ASN CA A 550 ASN C 1.0 -114.9 -53.5 PHI 18 18 A 550 ASN C A 551 GLN N A 551 GLN CA A 551 GLN C 1.0 -137.3 -46.3 PHI 19 19 A 552 ASP C A 553 GLY N A 553 GLY CA A 553 GLY C 1.0 55.6 115.6 PHI 20 20 A 555 ILE C A 556 CYS N A 556 CYS CA A 556 CYS C 1.0 -122.5 -58.5 PHI 21 21 A 556 CYS C A 557 GLY N A 557 GLY CA A 557 GLY C 1.0 59.4 119.4 PHI 22 22 A 508 GLN N A 508 GLN CA A 508 GLN C A 509 PRO N 1.0 107.2 175.4 PSI 23 23 A 516 HIS N A 516 HIS CA A 516 HIS C A 517 TYR N 1.0 -67.9 -7.3 PSI 24 24 A 517 TYR N A 517 TYR CA A 517 TYR C A 518 TRP N 1.0 -58.7 2.5 PSI 25 25 A 520 THR N A 520 THR CA A 520 THR C A 521 GLN N 1.0 -60.5 41.5 PSI 26 26 A 524 GLY N A 524 GLY CA A 524 GLY C A 525 ALA N 1.0 -24.6 37.2 PSI 27 27 A 525 ALA N A 525 ALA CA A 525 ALA C A 526 ALA N 1.0 57.7 195.5 PSI 28 28 A 528 GLY N A 528 GLY CA A 528 GLY C A 529 ALA N 1.0 -18.1 52.5 PSI 29 29 A 531 TRP N A 531 TRP CA A 531 TRP C A 532 ILE N 1.0 -14.4 65.8 PSI 30 30 A 534 TYR N A 534 TYR CA A 534 TYR C A 535 PHE N 1.0 -61.4 -0.8 PSI 31 31 A 535 PHE N A 535 PHE CA A 535 PHE C A 536 GLY N 1.0 -49.5 23.1 PSI 32 32 A 538 ALA N A 538 ALA CA A 538 ALA C A 539 ALA N 1.0 -71.1 3.9 PSI 33 33 A 539 ALA N A 539 ALA CA A 539 ALA C A 540 GLU N 1.0 -64.2 15.6 PSI 34 34 A 541 GLY N A 541 GLY CA A 541 GLY C A 542 ILE N 1.0 -16.9 59.5 PSI 35 35 A 542 ILE N A 542 ILE CA A 542 ILE C A 543 TYR N 1.0 -82.6 24.4 PSI 36 36 A 543 TYR N A 543 TYR CA A 543 TYR C A 544 ALA N 1.0 -66.4 -4.8 PSI 37 37 A 544 ALA N A 544 ALA CA A 544 ALA C A 545 GLU N 1.0 -70.5 -10.5 PSI 38 38 A 545 GLU N A 545 GLU CA A 545 GLU C A 546 GLY N 1.0 -62.8 46.2 PSI 39 39 A 546 GLY N A 546 GLY CA A 546 GLY C A 547 LEU N 1.0 -17.7 53.5 PSI 40 40 A 549 HIS N A 549 HIS CA A 549 HIS C A 550 ASN N 1.0 -73.5 -11.9 PSI 41 41 A 550 ASN N A 550 ASN CA A 550 ASN C A 551 GLN N 1.0 -61.8 11.0 PSI 42 42 A 553 GLY N A 553 GLY CA A 553 GLY C A 554 LEU N 1.0 -17.8 43.2 PSI 43 43 A 556 CYS N A 556 CYS CA A 556 CYS C A 557 GLY N 1.0 -32.3 37.7 PSI 44 44 A 557 GLY N A 557 GLY CA A 557 GLY C A 558 LEU N 1.0 -33.2 26.8 PSI 45 45 A 559 ARG N A 559 ARG CA A 559 ARG C A 560 GLN N 1.0 82.7 172.9 PSI stop_ save_