data_nef_c19383_2mb1 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 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 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 HA H 1 4.023 0.017 A 507 ALA HB% H 1 1.399 0.017 A 507 ALA C C 13 180.691 0.000 A 507 ALA CA C 13 51.624 0.144 A 507 ALA CB C 13 19.230 0.064 A 508 GLN H H 1 8.575 0.003 A 508 GLN HA H 1 4.607 0.005 A 508 GLN HBx H 1 1.849 0.000 A 508 GLN HBy H 1 1.849 0.000 A 508 GLN CA C 13 53.627 0.000 A 508 GLN CB C 13 28.849 0.000 A 508 GLN N N 15 120.721 0.030 A 509 PRO HA H 1 4.329 0.013 A 509 PRO HBx H 1 2.186 0.022 A 509 PRO HBy H 1 2.186 0.022 A 509 PRO HDx H 1 3.619 0.058 A 509 PRO HDy H 1 3.619 0.058 A 509 PRO HGx H 1 1.884 0.036 A 509 PRO HGy H 1 1.884 0.036 A 509 PRO C C 13 177.740 0.000 A 509 PRO CA C 13 63.094 0.151 A 509 PRO CB C 13 32.083 0.382 A 509 PRO CD C 13 50.569 0.097 A 509 PRO CG C 13 27.277 0.005 A 510 LYS H H 1 8.330 0.009 A 510 LYS HA H 1 4.233 0.054 A 510 LYS HBy H 1 1.706 0.022 A 510 LYS HBx H 1 1.652 0.005 A 510 LYS HDx H 1 1.588 0.005 A 510 LYS HDy H 1 1.588 0.005 A 510 LYS HEx H 1 3.057 0.006 A 510 LYS HEy H 1 3.057 0.006 A 510 LYS HGx H 1 1.358 0.023 A 510 LYS HGy H 1 1.358 0.023 A 510 LYS C C 13 177.951 0.000 A 510 LYS CA C 13 55.910 0.215 A 510 LYS CB C 13 32.985 0.132 A 510 LYS CD C 13 28.959 0.043 A 510 LYS CE C 13 41.970 0.184 A 510 LYS CG C 13 24.667 0.147 A 510 LYS N N 15 121.228 0.040 A 511 CYS H H 1 8.284 0.014 A 511 CYS HA H 1 4.562 0.005 A 511 CYS HBx H 1 2.940 0.042 A 511 CYS HBy H 1 2.940 0.042 A 511 CYS C C 13 180.885 0.000 A 511 CYS CA C 13 55.085 0.160 A 511 CYS CB C 13 41.809 0.242 A 511 CYS N N 15 119.374 0.106 A 512 ASN H H 1 8.614 0.009 A 512 ASN HA H 1 4.898 0.007 A 512 ASN HBy H 1 2.758 0.006 A 512 ASN HBx H 1 2.616 0.029 A 512 ASN HD2y H 1 6.876 0.000 A 512 ASN CA C 13 50.921 0.122 A 512 ASN CB C 13 39.105 0.151 A 512 ASN N N 15 122.292 0.069 A 513 PRO HA H 1 4.294 0.018 A 513 PRO HBx H 1 2.100 0.009 A 513 PRO HBy H 1 2.100 0.009 A 513 PRO HDx H 1 3.704 0.010 A 513 PRO HDy H 1 3.704 0.010 A 513 PRO HGx H 1 1.850 0.020 A 513 PRO HGy H 1 1.850 0.020 A 513 PRO C C 13 177.920 0.000 A 513 PRO CA C 13 63.373 0.086 A 513 PRO CB C 13 31.880 0.116 A 513 PRO CD C 13 50.698 0.150 A 513 PRO CG C 13 27.123 0.157 A 514 ASN H H 1 8.285 0.006 A 514 ASN HA H 1 4.557 0.016 A 514 ASN HBy H 1 2.749 0.008 A 514 ASN HBx H 1 2.614 0.017 A 514 ASN HD2y H 1 7.560 0.001 A 514 ASN HD2x H 1 6.818 0.000 A 514 ASN C C 13 179.369 0.000 A 514 ASN CA C 13 53.454 0.257 A 514 ASN CB C 13 38.954 0.162 A 514 ASN N N 15 117.476 0.031 A 515 LEU H H 1 7.770 0.005 A 515 LEU HA H 1 4.154 0.006 A 515 LEU HBx H 1 1.394 0.020 A 515 LEU HBy H 1 1.394 0.020 A 515 LEU HD1% H 1 0.749 0.016 A 515 LEU HD2% H 1 0.749 0.016 A 515 LEU HG H 1 1.445 0.037 A 515 LEU C C 13 177.719 0.000 A 515 LEU CA C 13 55.268 0.242 A 515 LEU CB C 13 42.079 0.074 A 515 LEU CD1 C 13 23.609 0.066 A 515 LEU CG C 13 27.318 0.279 A 515 LEU N N 15 121.054 0.027 A 516 HIS H H 1 8.126 0.007 A 516 HIS HA H 1 4.451 0.004 A 516 HIS HBx H 1 2.882 0.024 A 516 HIS HBy H 1 2.882 0.024 A 516 HIS C C 13 179.871 0.000 A 516 HIS CA C 13 55.414 0.252 A 516 HIS CB C 13 28.867 0.080 A 516 HIS N N 15 117.461 0.086 A 517 TYR H H 1 8.101 0.011 A 517 TYR HA H 1 4.222 0.021 A 517 TYR HB3 H 1 2.708 0.017 A 517 TYR HDx H 1 6.964 0.000 A 517 TYR HDy H 1 6.964 0.000 A 517 TYR HEx H 1 6.695 0.002 A 517 TYR HEy H 1 6.695 0.002 A 517 TYR C C 13 178.883 0.000 A 517 TYR CA C 13 59.410 0.818 A 517 TYR CB C 13 38.843 0.181 A 517 TYR N N 15 120.302 0.135 A 518 TRP H H 1 7.665 0.005 A 518 TRP HA H 1 4.569 0.018 A 518 TRP HBx H 1 3.193 0.025 A 518 TRP HBy H 1 3.193 0.025 A 518 TRP HE3 H 1 7.411 0.014 A 518 TRP C C 13 178.468 0.000 A 518 TRP CA C 13 57.501 0.051 A 518 TRP CB C 13 29.619 0.247 A 518 TRP N N 15 118.660 0.066 A 519 THR H H 1 7.894 0.004 A 519 THR HA H 1 4.351 0.004 A 519 THR HB H 1 4.179 0.013 A 519 THR HG2% H 1 1.054 0.019 A 519 THR C C 13 179.594 0.000 A 519 THR CA C 13 61.654 0.195 A 519 THR CB C 13 69.859 0.153 A 519 THR CG2 C 13 21.440 0.118 A 519 THR N N 15 112.373 0.035 A 520 THR H H 1 7.957 0.008 A 520 THR HA H 1 4.256 0.049 A 520 THR HB H 1 4.156 0.025 A 520 THR HG2% H 1 1.080 0.014 A 520 THR C C 13 179.419 0.000 A 520 THR CA C 13 62.019 0.068 A 520 THR CB C 13 69.709 0.084 A 520 THR CG2 C 13 21.636 0.091 A 520 THR N N 15 114.438 0.041 A 521 GLN H H 1 8.224 0.005 A 521 GLN HA H 1 4.175 0.022 A 521 GLN HBx H 1 1.853 0.020 A 521 GLN HBy H 1 1.853 0.020 A 521 GLN HE2x H 1 6.669 0.016 A 521 GLN HE2y H 1 7.381 0.000 A 521 GLN HGx H 1 2.202 0.016 A 521 GLN HGy H 1 2.202 0.016 A 521 GLN C C 13 178.345 0.000 A 521 GLN CA C 13 56.302 0.158 A 521 GLN CB C 13 29.118 0.157 A 521 GLN CG C 13 34.128 0.243 A 521 GLN N N 15 121.453 0.053 A 522 ASP H H 1 8.155 0.022 A 522 ASP HA H 1 4.461 0.038 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 13 177.838 0.000 A 522 ASP CA C 13 54.741 0.134 A 522 ASP CB C 13 40.847 0.088 A 522 ASP N N 15 120.227 0.092 A 523 GLU H H 1 8.250 0.010 A 523 GLU HA H 1 4.102 0.020 A 523 GLU HBx H 1 1.970 0.042 A 523 GLU HBy H 1 1.970 0.042 A 523 GLU HGx H 1 2.217 0.013 A 523 GLU HGy H 1 2.217 0.013 A 523 GLU C C 13 177.165 0.000 A 523 GLU CA C 13 57.161 0.141 A 523 GLU CB C 13 29.153 0.234 A 523 GLU CG C 13 34.970 0.231 A 523 GLU N N 15 120.511 0.061 A 524 GLY H H 1 8.308 0.008 A 524 GLY HAx H 1 3.784 0.016 A 524 GLY HAy H 1 3.784 0.016 A 524 GLY C C 13 179.999 0.000 A 524 GLY CA C 13 45.791 0.143 A 524 GLY N N 15 108.395 0.068 A 525 ALA H H 1 7.884 0.005 A 525 ALA HA H 1 4.139 0.018 A 525 ALA HB% H 1 1.293 0.021 A 525 ALA C C 13 176.642 0.000 A 525 ALA CA C 13 52.706 0.207 A 525 ALA CB C 13 19.148 0.128 A 525 ALA N N 15 123.026 0.082 A 526 ALA H H 1 8.027 0.007 A 526 ALA HA H 1 4.164 0.009 A 526 ALA HB% H 1 1.298 0.024 A 526 ALA C C 13 176.320 0.000 A 526 ALA CA C 13 52.788 0.087 A 526 ALA CB C 13 19.055 0.064 A 526 ALA N N 15 121.593 0.053 A 527 ILE H H 1 7.913 0.016 A 527 ILE HA H 1 3.874 0.017 A 527 ILE HB H 1 1.754 0.019 A 527 ILE HD1% H 1 0.740 0.021 A 527 ILE HG1y H 1 1.410 0.015 A 527 ILE HG1x H 1 1.050 0.010 A 527 ILE HG2% H 1 0.775 0.004 A 527 ILE C C 13 177.983 0.000 A 527 ILE CA C 13 61.894 0.142 A 527 ILE CB C 13 38.485 0.201 A 527 ILE CD1 C 13 13.276 0.124 A 527 ILE CG1 C 13 27.787 0.135 A 527 ILE CG2 C 13 17.624 0.065 A 527 ILE N N 15 117.907 0.045 A 528 GLY H H 1 8.045 0.009 A 528 GLY HAx H 1 3.822 0.021 A 528 GLY HAy H 1 3.822 0.021 A 528 GLY C C 13 180.040 0.000 A 528 GLY CA C 13 45.877 0.067 A 528 GLY N N 15 109.328 0.060 A 529 LEU H H 1 8.083 0.013 A 529 LEU HA H 1 4.076 0.004 A 529 LEU HBx H 1 1.476 0.003 A 529 LEU HBy H 1 1.476 0.003 A 529 LEU HD1% H 1 0.746 0.004 A 529 LEU HD2% H 1 0.746 0.004 A 529 LEU C C 13 177.413 0.000 A 529 LEU CA C 13 55.759 0.225 A 529 LEU CB C 13 42.321 0.267 A 529 LEU CD1 C 13 25.309 0.000 A 529 LEU N N 15 119.297 0.071 A 530 ALA H H 1 8.015 0.004 A 530 ALA HA H 1 4.035 0.005 A 530 ALA HB% H 1 1.289 0.016 A 530 ALA C C 13 177.142 0.000 A 530 ALA CA C 13 53.814 0.291 A 530 ALA CB C 13 18.780 0.244 A 530 ALA N N 15 120.355 0.080 A 531 TRP H H 1 7.398 0.005 A 531 TRP HA H 1 4.589 0.020 A 531 TRP HBy H 1 3.363 0.010 A 531 TRP HBx H 1 3.162 0.012 A 531 TRP HE3 H 1 7.417 0.000 A 531 TRP C C 13 177.968 0.000 A 531 TRP CA C 13 56.378 0.008 A 531 TRP CB C 13 29.409 0.185 A 531 TRP N N 15 114.575 0.041 A 532 ILE H H 1 7.197 0.011 A 532 ILE HA H 1 3.768 0.015 A 532 ILE HD1% H 1 0.601 0.087 A 532 ILE HG1y H 1 1.648 0.005 A 532 ILE HG1x H 1 0.999 0.000 A 532 ILE HG2% H 1 0.773 0.041 A 532 ILE CA C 13 63.813 0.079 A 532 ILE CD1 C 13 13.313 0.089 A 532 ILE CG2 C 13 17.424 0.086 A 532 ILE N N 15 121.501 0.047 A 533 PRO HA H 1 4.169 0.010 A 533 PRO HBy H 1 2.255 0.002 A 533 PRO HBx H 1 2.084 0.000 A 533 PRO HDx H 1 3.554 0.011 A 533 PRO HDy H 1 3.554 0.011 A 533 PRO HGx H 1 1.830 0.003 A 533 PRO HGy H 1 1.830 0.003 A 533 PRO CA C 13 64.431 0.148 A 533 PRO CB C 13 32.238 0.000 A 533 PRO CD C 13 50.594 0.171 A 533 PRO CG C 13 27.527 0.000 A 534 TYR H H 1 8.066 0.000 A 534 TYR HA H 1 4.086 0.011 A 534 TYR HBx H 1 2.902 0.020 A 534 TYR HBy H 1 2.902 0.020 A 534 TYR HEx H 1 6.908 0.000 A 534 TYR HEy H 1 6.908 0.000 A 534 TYR CA C 13 60.819 0.095 A 534 TYR CB C 13 38.437 0.240 A 535 PHE H H 1 8.123 0.045 A 535 PHE HA H 1 4.316 0.002 A 535 PHE HBy H 1 3.063 0.000 A 535 PHE HBx H 1 2.879 0.000 A 535 PHE HDx H 1 7.171 0.000 A 535 PHE HDy H 1 7.171 0.000 A 535 PHE C C 13 175.669 0.000 A 535 PHE CA C 13 58.885 0.197 A 535 PHE CB C 13 40.304 0.000 A 536 GLY H H 1 8.031 0.005 A 536 GLY CA C 13 46.510 0.000 A 536 GLY N N 15 107.103 0.107 A 537 PRO HA H 1 4.210 0.007 A 537 PRO HBy H 1 2.258 0.015 A 537 PRO HBx H 1 2.025 0.000 A 537 PRO HDx H 1 3.404 0.052 A 537 PRO HDy H 1 3.404 0.052 A 537 PRO HGx H 1 1.821 0.021 A 537 PRO HGy H 1 1.821 0.021 A 537 PRO C C 13 175.183 0.000 A 537 PRO CA C 13 64.563 0.432 A 537 PRO CB C 13 31.618 0.039 A 537 PRO CD C 13 50.474 0.121 A 537 PRO CG C 13 27.489 0.032 A 538 ALA H H 1 7.799 0.103 A 538 ALA HA H 1 4.095 0.019 A 538 ALA HB% H 1 1.330 0.022 A 538 ALA C C 13 175.268 0.000 A 538 ALA CA C 13 54.373 0.134 A 538 ALA CB C 13 18.694 0.208 A 538 ALA N N 15 120.228 0.120 A 539 ALA H H 1 8.208 0.028 A 539 ALA HA H 1 3.883 0.009 A 539 ALA HB% H 1 1.285 0.024 A 539 ALA C C 13 175.516 0.000 A 539 ALA CA C 13 54.526 0.144 A 539 ALA CB C 13 18.780 0.244 A 539 ALA N N 15 120.412 0.069 A 540 GLU H H 1 8.162 0.013 A 540 GLU HA H 1 3.933 0.023 A 540 GLU HBx H 1 2.005 0.013 A 540 GLU HBy H 1 2.005 0.013 A 540 GLU HGx H 1 2.296 0.025 A 540 GLU HGy H 1 2.296 0.025 A 540 GLU C C 13 176.525 0.000 A 540 GLU CA C 13 58.522 0.511 A 540 GLU CB C 13 28.907 0.178 A 540 GLU CG C 13 33.647 0.393 A 540 GLU N N 15 116.209 0.036 A 541 GLY H H 1 8.033 0.005 A 541 GLY HAx H 1 3.807 0.002 A 541 GLY HAy H 1 3.807 0.002 A 541 GLY C C 13 178.784 0.000 A 541 GLY CA C 13 45.692 0.191 A 541 GLY N N 15 107.297 0.069 A 542 ILE H H 1 7.870 0.004 A 542 ILE HA H 1 3.765 0.018 A 542 ILE HB H 1 1.786 0.009 A 542 ILE HD1% H 1 0.729 0.014 A 542 ILE HG1y H 1 1.539 0.034 A 542 ILE HG1x H 1 1.030 0.019 A 542 ILE C C 13 176.804 0.000 A 542 ILE CA C 13 63.871 0.130 A 542 ILE CB C 13 38.075 0.287 A 542 ILE CD1 C 13 13.284 0.234 A 542 ILE CG1 C 13 28.651 0.385 A 542 ILE CG2 C 13 17.761 0.000 A 542 ILE N N 15 121.066 0.081 A 543 TYR H H 1 8.066 0.006 A 543 TYR HA H 1 4.144 0.017 A 543 TYR HBx H 1 2.912 0.019 A 543 TYR HBy H 1 2.912 0.019 A 543 TYR HDx H 1 6.953 0.000 A 543 TYR HDy H 1 6.953 0.000 A 543 TYR HEx H 1 6.844 0.000 A 543 TYR HEy H 1 6.844 0.000 A 543 TYR C C 13 179.780 0.000 A 543 TYR CA C 13 60.629 0.179 A 543 TYR CB C 13 38.425 0.232 A 543 TYR N N 15 120.347 0.082 A 544 ALA H H 1 7.910 0.006 A 544 ALA HA H 1 3.926 0.021 A 544 ALA HB% H 1 1.414 0.011 A 544 ALA C C 13 175.014 0.000 A 544 ALA CA C 13 54.262 0.149 A 544 ALA CB C 13 18.991 0.198 A 544 ALA N N 15 119.787 0.132 A 545 GLU H H 1 7.866 0.009 A 545 GLU HA H 1 4.056 0.032 A 545 GLU HBx H 1 2.003 0.015 A 545 GLU HBy H 1 2.003 0.015 A 545 GLU HGx H 1 2.285 0.032 A 545 GLU HGy H 1 2.285 0.032 A 545 GLU C C 13 176.541 0.000 A 545 GLU CA C 13 56.978 0.435 A 545 GLU CB C 13 29.625 0.470 A 545 GLU CG C 13 34.604 0.236 A 545 GLU N N 15 115.906 0.097 A 546 GLY H H 1 8.019 0.006 A 546 GLY HAx H 1 3.813 0.014 A 546 GLY HAy H 1 3.813 0.014 A 546 GLY C C 13 180.358 0.000 A 546 GLY CA C 13 45.645 0.274 A 546 GLY N N 15 107.293 0.084 A 547 LEU H H 1 7.892 0.005 A 547 LEU HA H 1 4.147 0.004 A 547 LEU HBx H 1 1.487 0.024 A 547 LEU HBy H 1 1.487 0.024 A 547 LEU HD1% H 1 0.754 0.020 A 547 LEU HD2% H 1 0.754 0.020 A 547 LEU HG H 1 1.439 0.014 A 547 LEU C C 13 176.730 0.000 A 547 LEU CA C 13 55.851 0.347 A 547 LEU CB C 13 42.514 0.064 A 547 LEU CDx C 13 25.057 0.000 A 547 LEU CDy C 13 25.078 0.000 A 547 LEU CG C 13 27.732 0.000 A 547 LEU N N 15 121.469 0.113 A 548 MET H H 1 7.995 0.006 A 548 MET HA H 1 4.218 0.023 A 548 MET HBx H 1 1.908 0.020 A 548 MET HBy H 1 1.908 0.020 A 548 MET HGx H 1 2.412 0.071 A 548 MET HGy H 1 2.412 0.071 A 548 MET C C 13 177.832 0.000 A 548 MET CA C 13 55.861 0.193 A 548 MET CB C 13 32.338 0.150 A 548 MET CE C 13 19.173 0.000 A 548 MET CG C 13 32.209 0.000 A 548 MET N N 15 116.092 0.089 A 549 HIS H H 1 8.074 0.004 A 549 HIS HA H 1 4.577 0.030 A 549 HIS HBx H 1 3.048 0.023 A 549 HIS HBy H 1 3.048 0.023 A 549 HIS C C 13 179.852 0.000 A 549 HIS CA C 13 55.656 0.102 A 549 HIS CB C 13 28.847 0.102 A 549 HIS N N 15 116.959 0.038 A 550 ASN H H 1 8.235 0.013 A 550 ASN HA H 1 4.611 0.015 A 550 ASN HBx H 1 2.730 0.020 A 550 ASN HBy H 1 2.730 0.020 A 550 ASN C C 13 178.753 0.000 A 550 ASN CA C 13 53.651 0.397 A 550 ASN CB C 13 38.884 0.153 A 550 ASN N N 15 118.599 0.076 A 551 GLN H H 1 8.359 0.006 A 551 GLN HA H 1 4.203 0.016 A 551 GLN HBx H 1 1.883 0.007 A 551 GLN HBy H 1 1.883 0.007 A 551 GLN HE2x H 1 6.674 0.000 A 551 GLN HE2y H 1 7.388 0.000 A 551 GLN HGx H 1 2.227 0.031 A 551 GLN HGy H 1 2.227 0.031 A 551 GLN C C 13 178.390 0.000 A 551 GLN CA C 13 56.276 0.167 A 551 GLN CB C 13 28.931 0.109 A 551 GLN CG C 13 33.863 0.242 A 551 GLN N N 15 119.902 0.038 A 552 ASP H H 1 8.190 0.012 A 552 ASP HA H 1 4.448 0.016 A 552 ASP HBx H 1 2.604 0.018 A 552 ASP HBy H 1 2.604 0.018 A 552 ASP C C 13 177.522 0.000 A 552 ASP CA C 13 54.856 0.214 A 552 ASP CB C 13 40.814 0.090 A 552 ASP N N 15 119.524 0.084 A 553 GLY H H 1 8.130 0.004 A 553 GLY HAx H 1 3.832 0.021 A 553 GLY HAy H 1 3.832 0.021 A 553 GLY C C 13 179.757 0.000 A 553 GLY CA C 13 45.626 0.099 A 553 GLY N N 15 108.043 0.084 A 554 LEU H H 1 8.081 0.014 A 554 LEU HA H 1 4.168 0.007 A 554 LEU HBx H 1 1.502 0.049 A 554 LEU HBy H 1 1.502 0.049 A 554 LEU HD1% H 1 0.798 0.009 A 554 LEU HD2% H 1 0.798 0.009 A 554 LEU HG H 1 1.576 0.006 A 554 LEU C C 13 176.732 0.000 A 554 LEU CA C 13 56.145 0.080 A 554 LEU CB C 13 42.513 0.143 A 554 LEU CD1 C 13 24.913 0.064 A 554 LEU CG C 13 26.862 0.216 A 554 LEU N N 15 121.485 0.077 A 555 ILE H H 1 7.976 0.012 A 555 ILE HA H 1 3.954 0.009 A 555 ILE HB H 1 1.817 0.010 A 555 ILE HD1% H 1 0.749 0.025 A 555 ILE HG1y H 1 1.551 0.037 A 555 ILE HG1x H 1 1.065 0.028 A 555 ILE HG2% H 1 0.781 0.002 A 555 ILE C C 13 178.242 0.000 A 555 ILE CA C 13 61.929 0.094 A 555 ILE CB C 13 38.317 0.243 A 555 ILE CD1 C 13 13.273 0.074 A 555 ILE CG1 C 13 28.497 0.278 A 555 ILE CG2 C 13 17.721 0.150 A 555 ILE N N 15 117.390 0.073 A 556 CYS H H 1 8.214 0.009 A 556 CYS HA H 1 4.411 0.037 A 556 CYS HBy H 1 3.328 0.000 A 556 CYS HBx H 1 2.930 0.036 A 556 CYS C C 13 178.872 0.000 A 556 CYS CA C 13 56.233 0.114 A 556 CYS CB C 13 41.438 0.572 A 556 CYS N N 15 119.495 0.068 A 557 GLY H H 1 8.141 0.006 A 557 GLY HAx H 1 3.834 0.025 A 557 GLY HAy H 1 3.834 0.025 A 557 GLY C C 13 180.393 0.000 A 557 GLY CA C 13 45.701 0.227 A 557 GLY N N 15 108.419 0.051 A 558 LEU H H 1 7.837 0.015 A 558 LEU HA H 1 4.237 0.022 A 558 LEU HBx H 1 1.599 0.018 A 558 LEU HBy H 1 1.599 0.018 A 558 LEU HD1% H 1 0.772 0.015 A 558 LEU HD2% H 1 0.772 0.015 A 558 LEU HG H 1 1.534 0.018 A 558 LEU C C 13 177.398 0.000 A 558 LEU CA C 13 55.730 0.199 A 558 LEU CB C 13 42.585 0.071 A 558 LEU CD1 C 13 24.318 0.838 A 558 LEU CG C 13 27.012 0.083 A 558 LEU N N 15 120.318 0.034 A 559 ARG H H 1 8.007 0.007 A 559 ARG HA H 1 4.245 0.011 A 559 ARG HBx H 1 1.805 0.019 A 559 ARG HBy H 1 1.805 0.019 A 559 ARG HDx H 1 3.081 0.022 A 559 ARG HDy H 1 3.081 0.022 A 559 ARG HGx H 1 1.572 0.016 A 559 ARG HGy H 1 1.572 0.016 A 559 ARG C C 13 179.052 0.000 A 559 ARG CA C 13 55.773 0.065 A 559 ARG CB C 13 31.191 0.537 A 559 ARG CD C 13 43.458 0.129 A 559 ARG CG C 13 26.998 0.108 A 559 ARG N N 15 119.828 0.070 A 560 GLN H H 1 7.835 0.002 A 560 GLN HA H 1 4.274 0.011 A 560 GLN HBx H 1 1.809 0.000 A 560 GLN HBy H 1 1.809 0.000 A 560 GLN HE2x H 1 6.696 0.000 A 560 GLN HE2y H 1 7.258 0.000 A 560 GLN HGx H 1 2.212 0.010 A 560 GLN HGy H 1 2.212 0.010 A 560 GLN CA C 13 57.119 0.000 A 560 GLN CB C 13 30.376 0.000 A 560 GLN N N 15 125.774 0.026 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 HA 1.0 1.8 3.86 2 2 A 507 ALA HB% A 509 PRO HBx 1.0 1.8 4.46 3 2 A 507 ALA HB% A 509 PRO HBy 1.0 1.8 4.46 4 3 A 507 ALA HA A 560 GLN H 1.0 1.8 3.89 5 4 A 508 GLN HA A 510 LYS H 1.0 1.8 4.23 6 5 A 508 GLN H A 559 ARG HA 1.0 1.8 4.68 7 6 A 510 LYS H A 509 PRO HGx 1.0 1.8 4.46 8 6 A 510 LYS H A 509 PRO HGy 1.0 1.8 4.46 9 7 A 510 LYS H A 509 PRO HA 1.0 1.8 4.37 10 8 A 510 LYS H A 509 PRO HBx 1.0 1.8 3.54 11 8 A 509 PRO HBy A 510 LYS H 1.0 1.8 3.54 12 9 A 509 PRO HDy A 511 CYS HBx 1.0 1.8 4.37 13 9 A 509 PRO HDx A 511 CYS HBx 1.0 1.8 4.37 14 9 A 511 CYS HBy A 509 PRO HDx 1.0 1.8 4.37 15 9 A 509 PRO HDy A 511 CYS HBy 1.0 1.8 4.37 16 10 A 509 PRO HBy A 511 CYS HBx 1.0 1.8 4.56 17 10 A 509 PRO HBx A 511 CYS HBx 1.0 1.8 4.56 18 10 A 511 CYS HBy A 509 PRO HBx 1.0 1.8 4.56 19 10 A 509 PRO HBy A 511 CYS HBy 1.0 1.8 4.56 20 11 A 509 PRO HDx A 559 ARG HBx 1.0 1.8 4.41 21 11 A 559 ARG HBy A 509 PRO HDx 1.0 1.8 4.41 22 11 A 509 PRO HDy A 559 ARG HBy 1.0 1.8 4.41 23 11 A 509 PRO HDy A 559 ARG HBx 1.0 1.8 4.41 24 12 A 510 LYS H A 510 LYS HBy 1.0 1.8 4.55 25 12 A 510 LYS H A 510 LYS HBx 1.0 1.8 4.55 26 13 A 510 LYS HDx A 510 LYS HGx 1.0 1.8 2.84 27 13 A 510 LYS HDy A 510 LYS HGx 1.0 1.8 2.84 28 13 A 510 LYS HGy A 510 LYS HDx 1.0 1.8 2.84 29 13 A 510 LYS HGy A 510 LYS HDy 1.0 1.8 2.84 30 14 A 510 LYS H A 510 LYS HGx 1.0 1.8 3.27 31 14 A 510 LYS H A 510 LYS HGy 1.0 1.8 3.27 32 15 A 510 LYS H A 510 LYS HEx 1.0 1.8 3.99 33 15 A 510 LYS H A 510 LYS HEy 1.0 1.8 3.99 34 16 A 511 CYS HA A 510 LYS HEx 1.0 1.8 4.23 35 16 A 510 LYS HEy A 511 CYS HA 1.0 1.8 4.23 36 17 A 510 LYS HGx A 511 CYS HBx 1.0 1.8 3.29 37 17 A 510 LYS HGy A 511 CYS HBx 1.0 1.8 3.29 38 17 A 511 CYS HBy A 510 LYS HGx 1.0 1.8 3.29 39 17 A 511 CYS HBy A 510 LYS HGy 1.0 1.8 3.29 40 18 A 510 LYS HA A 511 CYS H 1.0 1.8 4.86 41 19 A 511 CYS H A 510 LYS HGx 1.0 1.8 4.20 42 19 A 510 LYS HGy A 511 CYS H 1.0 1.8 4.20 43 20 A 511 CYS H A 510 LYS HBy 1.0 1.8 4.09 44 20 A 510 LYS HBx A 511 CYS H 1.0 1.8 4.09 45 21 A 511 CYS H A 511 CYS HBx 1.0 1.8 3.83 46 21 A 511 CYS HBy A 511 CYS H 1.0 1.8 3.83 47 22 A 512 ASN H A 511 CYS HBx 1.0 1.8 3.48 48 22 A 511 CYS HBy A 512 ASN H 1.0 1.8 3.48 49 23 A 511 CYS HA A 512 ASN H 1.0 1.8 4.54 50 24 A 511 CYS H A 512 ASN H 1.0 1.8 4.40 51 25 A 511 CYS HA A 513 PRO HDx 1.0 1.8 3.53 52 25 A 511 CYS HA A 513 PRO HDy 1.0 1.8 3.53 53 26 A 512 ASN H A 512 ASN HBy 1.0 1.8 3.66 54 26 A 512 ASN H A 512 ASN HBx 1.0 1.8 3.66 55 27 A 512 ASN H A 513 PRO HDx 1.0 1.8 4.87 56 27 A 512 ASN H A 513 PRO HDy 1.0 1.8 4.87 57 28 A 512 ASN HA A 513 PRO HDx 1.0 1.8 3.53 58 28 A 513 PRO HDy A 512 ASN HA 1.0 1.8 3.53 59 29 A 513 PRO HDx A 514 ASN HBx 1.0 1.8 4.53 60 29 A 513 PRO HDy A 514 ASN HBx 1.0 1.8 4.53 61 30 A 514 ASN H A 513 PRO HBx 1.0 1.8 4.05 62 30 A 513 PRO HBy A 514 ASN H 1.0 1.8 4.05 63 31 A 514 ASN H A 513 PRO HDx 1.0 1.8 4.68 64 31 A 513 PRO HDy A 514 ASN H 1.0 1.8 4.68 65 32 A 513 PRO HDy A 514 ASN HBy 1.0 1.8 3.96 66 32 A 514 ASN HBy A 513 PRO HDx 1.0 1.8 3.96 67 33 A 514 ASN H A 513 PRO HGx 1.0 1.8 4.39 68 33 A 514 ASN H A 513 PRO HGy 1.0 1.8 4.39 69 34 A 513 PRO HDx A 514 ASN HBx 1.0 1.8 4.53 70 34 A 513 PRO HDy A 514 ASN HBx 1.0 1.8 4.53 71 34 A 514 ASN HBy A 513 PRO HDx 1.0 1.8 4.53 72 34 A 513 PRO HDy A 514 ASN HBy 1.0 1.8 4.53 73 35 A 513 PRO HBx A 554 LEU HBx 1.0 1.8 3.70 74 35 A 554 LEU HBy A 513 PRO HBx 1.0 1.8 3.70 75 35 A 513 PRO HBy A 554 LEU HBy 1.0 1.8 3.70 76 35 A 513 PRO HBy A 554 LEU HBx 1.0 1.8 3.70 77 36 A 514 ASN H A 514 ASN HBx 1.0 1.8 3.19 78 36 A 514 ASN H A 514 ASN HBy 1.0 1.8 3.19 79 37 A 514 ASN H A 514 ASN HD2x 1.0 1.8 4.60 80 37 A 514 ASN H A 514 ASN HD2y 1.0 1.8 4.60 81 38 A 514 ASN HBy A 514 ASN HD2x 1.0 1.8 3.58 82 38 A 514 ASN HD2y A 514 ASN HBx 1.0 1.8 3.58 83 38 A 514 ASN HBy A 514 ASN HD2y 1.0 1.8 3.58 84 38 A 514 ASN HBx A 514 ASN HD2x 1.0 1.8 3.58 85 39 A 515 LEU HD2% A 514 ASN HBx 1.0 1.8 4.65 86 39 A 514 ASN HBx A 515 LEU HD1% 1.0 1.8 4.65 87 40 A 514 ASN H A 515 LEU HG 1.0 1.8 4.06 88 41 A 515 LEU HG A 514 ASN HBx 1.0 1.8 4.84 89 41 A 514 ASN HBy A 515 LEU HG 1.0 1.8 4.84 90 42 A 514 ASN H A 515 LEU H 1.0 1.8 4.59 91 43 A 514 ASN HBy A 515 LEU HD2% 1.0 1.8 4.82 92 43 A 514 ASN HBy A 515 LEU HD1% 1.0 1.8 4.82 93 44 A 514 ASN HBy A 515 LEU HBx 1.0 1.8 4.84 94 44 A 514 ASN HBx A 515 LEU HBx 1.0 1.8 4.84 95 44 A 515 LEU HBy A 514 ASN HBx 1.0 1.8 4.84 96 44 A 514 ASN HBy A 515 LEU HBy 1.0 1.8 4.84 97 45 A 514 ASN HA A 516 HIS H 1.0 1.8 4.25 98 46 A 515 LEU H A 515 LEU HBx 1.0 1.8 3.54 99 46 A 515 LEU H A 515 LEU HBy 1.0 1.8 3.54 100 47 A 515 LEU H A 515 LEU HD1% 1.0 1.8 4.49 101 47 A 515 LEU HD2% A 515 LEU H 1.0 1.8 4.49 102 48 A 516 HIS H A 515 LEU HD1% 1.0 1.8 4.64 103 48 A 515 LEU HD2% A 516 HIS H 1.0 1.8 4.64 104 49 A 515 LEU H A 516 HIS H 1.0 1.8 4.26 105 50 A 516 HIS H A 515 LEU HBx 1.0 1.8 4.23 106 50 A 515 LEU HBy A 516 HIS H 1.0 1.8 4.23 107 51 A 517 TYR H A 515 LEU HD1% 1.0 1.8 4.64 108 51 A 515 LEU HD2% A 517 TYR H 1.0 1.8 4.64 109 52 A 516 HIS H A 516 HIS HBx 1.0 1.8 3.88 110 52 A 516 HIS H A 516 HIS HBy 1.0 1.8 3.88 111 53 A 517 TYR H A 517 TYR HD% 1.0 1.8 4.55 112 54 A 517 TYR HA A 517 TYR HE% 1.0 1.8 4.72 113 55 A 517 TYR H A 517 TYR HE% 1.0 1.8 4.71 114 56 A 517 TYR H A 517 TYR HBx 1.0 1.8 3.61 115 56 A 517 TYR H A 517 TYR HB3 1.0 1.8 3.61 116 57 A 517 TYR H A 518 TRP HBx 1.0 1.8 4.23 117 57 A 517 TYR H A 518 TRP HBy 1.0 1.8 4.23 118 58 A 517 TYR H A 518 TRP HE3 1.0 1.8 4.85 119 59 A 517 TYR H A 518 TRP H 1.0 1.8 4.90 120 60 A 518 TRP H A 517 TYR HBx 1.0 1.8 4.13 121 60 A 517 TYR HB3 A 518 TRP H 1.0 1.8 4.13 122 61 A 517 TYR H A 519 THR H 1.0 1.8 3.74 123 62 A 518 TRP HE3 A 518 TRP H 1.0 1.8 3.93 124 63 A 518 TRP H A 518 TRP HBx 1.0 1.8 4.45 125 63 A 518 TRP HBy A 518 TRP H 1.0 1.8 4.45 126 64 A 518 TRP H A 519 THR H 1.0 1.8 4.11 127 65 A 519 THR H A 518 TRP HBx 1.0 1.8 4.33 128 65 A 518 TRP HBy A 519 THR H 1.0 1.8 4.33 129 66 A 518 TRP HA A 520 THR H 1.0 1.8 4.48 130 67 A 519 THR H A 519 THR HG2% 1.0 1.8 3.64 131 68 A 519 THR HG2% A 519 THR HA 1.0 1.8 4.09 132 69 A 520 THR H A 519 THR HB 1.0 1.8 4.04 133 70 A 519 THR HG2% A 522 ASP H 1.0 1.8 5.01 134 71 A 519 THR HB A 548 MET HBx 1.0 1.8 4.80 135 71 A 519 THR HB A 548 MET HBy 1.0 1.8 4.80 136 72 A 519 THR HB A 550 ASN HA 1.0 1.8 3.98 137 73 A 519 THR HG2% A 550 ASN HA 1.0 1.8 3.71 138 74 A 520 THR HA A 520 THR HG2% 1.0 1.8 3.80 139 75 A 520 THR H A 520 THR HB 1.0 1.8 3.57 140 76 A 520 THR H A 520 THR HG2% 1.0 1.8 3.81 141 77 A 520 THR H A 521 GLN HBx 1.0 1.8 4.04 142 77 A 520 THR H A 521 GLN HBy 1.0 1.8 4.04 143 78 A 520 THR HG2% A 521 GLN H 1.0 1.8 5.03 144 79 A 520 THR HB A 521 GLN H 1.0 1.8 4.20 145 80 A 520 THR H A 521 GLN H 1.0 1.8 4.14 146 81 A 520 THR H A 522 ASP HA 1.0 1.8 4.57 147 82 A 520 THR HG2% A 523 GLU HBx 1.0 1.8 4.25 148 82 A 520 THR HG2% A 523 GLU HBy 1.0 1.8 4.25 149 83 A 520 THR HG2% A 523 GLU HGx 1.0 1.8 4.20 150 83 A 520 THR HG2% A 523 GLU HGy 1.0 1.8 4.20 151 84 A 520 THR HG2% A 548 MET HGx 1.0 1.8 4.22 152 84 A 520 THR HG2% A 548 MET HGy 1.0 1.8 4.22 153 85 A 521 GLN HA A 521 GLN HGx 1.0 1.8 3.79 154 85 A 521 GLN HA A 521 GLN HGy 1.0 1.8 3.79 155 86 A 521 GLN H A 521 GLN HBx 1.0 1.8 3.88 156 86 A 521 GLN HBy A 521 GLN H 1.0 1.8 3.88 157 87 A 521 GLN H A 521 GLN HGx 1.0 1.8 3.89 158 87 A 521 GLN H A 521 GLN HGy 1.0 1.8 3.89 159 88 A 522 ASP HA A 521 GLN HBx 1.0 1.8 3.43 160 88 A 521 GLN HBy A 522 ASP HA 1.0 1.8 3.43 161 89 A 522 ASP H A 521 GLN HA 1.0 1.8 4.44 162 90 A 522 ASP HA A 521 GLN HA 1.0 1.8 4.45 163 91 A 548 MET HA A 521 GLN HE2y 1.0 1.8 4.42 164 91 A 521 GLN HE2x A 548 MET HA 1.0 1.8 4.42 165 92 A 522 ASP H A 522 ASP HBx 1.0 1.8 3.61 166 92 A 522 ASP H A 522 ASP HBy 1.0 1.8 3.61 167 93 A 523 GLU H A 522 ASP HBx 1.0 1.8 4.15 168 93 A 522 ASP HBy A 523 GLU H 1.0 1.8 4.15 169 94 A 522 ASP H A 523 GLU HBx 1.0 1.8 4.47 170 94 A 522 ASP H A 523 GLU HBy 1.0 1.8 4.47 171 95 A 522 ASP H A 523 GLU HGx 1.0 1.8 4.00 172 95 A 522 ASP H A 523 GLU HGy 1.0 1.8 4.00 173 96 A 522 ASP HA A 524 GLY H 1.0 1.8 4.91 174 97 A 522 ASP HA A 525 ALA H 1.0 1.8 5.22 175 98 A 525 ALA H A 522 ASP HBx 1.0 1.8 4.43 176 98 A 522 ASP HBy A 525 ALA H 1.0 1.8 4.43 177 99 A 522 ASP HA A 525 ALA HB% 1.0 1.8 4.84 178 100 A 523 GLU HA A 523 GLU HGx 1.0 1.8 3.92 179 100 A 523 GLU HGy A 523 GLU HA 1.0 1.8 3.92 180 101 A 523 GLU HBx A 523 GLU HGx 1.0 1.8 3.52 181 101 A 523 GLU HBy A 523 GLU HGx 1.0 1.8 3.52 182 101 A 523 GLU HGy A 523 GLU HBx 1.0 1.8 3.52 183 101 A 523 GLU HBy A 523 GLU HGy 1.0 1.8 3.52 184 102 A 523 GLU H A 523 GLU HBx 1.0 1.8 2.76 185 102 A 523 GLU HBy A 523 GLU H 1.0 1.8 2.76 186 103 A 523 GLU H A 523 GLU HGx 1.0 1.8 3.74 187 103 A 523 GLU HGy A 523 GLU H 1.0 1.8 3.74 188 104 A 524 GLY H A 523 GLU HGx 1.0 1.8 4.18 189 104 A 523 GLU HGy A 524 GLY H 1.0 1.8 4.18 190 105 A 524 GLY H A 523 GLU HBx 1.0 1.8 4.57 191 105 A 523 GLU HBy A 524 GLY H 1.0 1.8 4.57 192 106 A 523 GLU HA A 524 GLY HAx 1.0 1.8 4.04 193 106 A 523 GLU HA A 524 GLY HAy 1.0 1.8 4.04 194 107 A 525 ALA HB% A 523 GLU HGx 1.0 1.8 4.44 195 107 A 523 GLU HGy A 525 ALA HB% 1.0 1.8 4.44 196 108 A 525 ALA H A 523 GLU HBx 1.0 1.8 5.12 197 108 A 523 GLU HBy A 525 ALA H 1.0 1.8 5.12 198 109 A 525 ALA HB% A 524 GLY HAx 1.0 1.8 3.38 199 109 A 525 ALA HB% A 524 GLY HAy 1.0 1.8 3.38 200 110 A 525 ALA H A 524 GLY HAx 1.0 1.8 3.62 201 110 A 525 ALA H A 524 GLY HAy 1.0 1.8 3.62 202 111 A 524 GLY H A 525 ALA H 1.0 1.8 4.84 203 112 A 524 GLY H A 525 ALA HB% 1.0 1.8 4.40 204 113 A 524 GLY H A 526 ALA H 1.0 1.8 4.22 205 114 A 524 GLY H A 527 ILE HG1x 1.0 1.8 4.96 206 114 A 524 GLY H A 527 ILE HG1y 1.0 1.8 4.96 207 115 A 525 ALA H A 525 ALA HB% 1.0 1.8 3.14 208 116 A 525 ALA H A 527 ILE HG1x 1.0 1.8 4.84 209 116 A 525 ALA H A 527 ILE HG1y 1.0 1.8 4.84 210 117 A 525 ALA HA A 527 ILE HG1x 1.0 1.8 5.05 211 117 A 527 ILE HG1y A 525 ALA HA 1.0 1.8 5.05 212 118 A 525 ALA H A 527 ILE HD1% 1.0 1.8 4.45 213 119 A 526 ALA H A 526 ALA HB% 1.0 1.8 2.95 214 120 A 526 ALA HA A 527 ILE H 1.0 1.8 4.58 215 121 A 526 ALA HB% A 527 ILE H 1.0 1.8 4.34 216 122 A 526 ALA HB% A 527 ILE HA 1.0 1.8 3.72 217 123 A 526 ALA H A 527 ILE HA 1.0 1.8 4.74 218 124 A 526 ALA H A 527 ILE HD1% 1.0 1.8 4.27 219 125 A 526 ALA H A 527 ILE HG1x 1.0 1.8 3.50 220 125 A 526 ALA H A 527 ILE HG1y 1.0 1.8 3.50 221 126 A 526 ALA HA A 527 ILE HG2% 1.0 1.8 4.77 222 127 A 526 ALA HB% A 528 GLY H 1.0 1.8 4.76 223 128 A 526 ALA HA A 528 GLY H 1.0 1.8 4.84 224 129 A 527 ILE HA A 527 ILE HG2% 1.0 1.8 4.13 225 130 A 527 ILE HD1% A 527 ILE HA 1.0 1.8 4.03 226 131 A 527 ILE HG1y A 527 ILE H 1.0 1.8 3.37 227 132 A 527 ILE HG2% A 527 ILE HG1x 1.0 1.8 3.69 228 132 A 527 ILE HG1y A 527 ILE HG2% 1.0 1.8 3.69 229 133 A 527 ILE H A 527 ILE HB 1.0 1.8 3.21 230 134 A 527 ILE HD1% A 527 ILE H 1.0 1.8 3.35 231 135 A 527 ILE HD1% A 527 ILE HB 1.0 1.8 3.75 232 136 A 527 ILE H A 527 ILE HG1x 1.0 1.8 4.13 233 137 A 527 ILE HD1% A 528 GLY H 1.0 1.8 4.78 234 138 A 528 GLY H A 527 ILE HB 1.0 1.8 4.79 235 139 A 527 ILE HD1% A 528 GLY HAx 1.0 1.8 4.23 236 139 A 527 ILE HD1% A 528 GLY HAy 1.0 1.8 4.23 237 140 A 527 ILE HA A 531 TRP H 1.0 1.8 4.10 238 141 A 527 ILE HD1% A 531 TRP HA 1.0 1.8 4.79 239 142 A 529 LEU H A 528 GLY HAx 1.0 1.8 3.16 240 142 A 528 GLY HAy A 529 LEU H 1.0 1.8 3.16 241 143 A 529 LEU H A 529 LEU HD1% 1.0 1.8 3.78 242 143 A 529 LEU H A 529 LEU HD2% 1.0 1.8 3.78 243 144 A 529 LEU H A 529 LEU HBx 1.0 1.8 4.64 244 144 A 529 LEU H A 529 LEU HBy 1.0 1.8 4.64 245 145 A 530 ALA HB% A 529 LEU HD1% 1.0 1.8 3.33 246 145 A 529 LEU HD2% A 530 ALA HB% 1.0 1.8 3.33 247 146 A 544 ALA HB% A 529 LEU HD1% 1.0 1.8 3.57 248 146 A 529 LEU HD2% A 544 ALA HB% 1.0 1.8 3.57 249 147 A 529 LEU H A 544 ALA HA 1.0 1.8 4.04 250 148 A 544 ALA H A 529 LEU HD1% 1.0 1.8 4.46 251 148 A 529 LEU HD2% A 544 ALA H 1.0 1.8 4.46 252 149 A 545 GLU H A 529 LEU HD1% 1.0 1.8 4.88 253 149 A 529 LEU HD2% A 545 GLU H 1.0 1.8 4.88 254 150 A 531 TRP H A 530 ALA HB% 1.0 1.8 4.30 255 151 A 531 TRP HA A 530 ALA HB% 1.0 1.8 4.01 256 152 A 530 ALA HB% A 531 TRP HBy 1.0 1.8 4.27 257 152 A 530 ALA HB% A 531 TRP HBx 1.0 1.8 4.27 258 153 A 530 ALA HA A 532 ILE HD1% 1.0 1.8 4.68 259 154 A 532 ILE H A 531 TRP HBy 1.0 1.8 5.19 260 155 A 531 TRP HA A 532 ILE HG2% 1.0 1.8 4.21 261 156 A 531 TRP HBx A 532 ILE H 1.0 1.8 4.77 262 157 A 532 ILE H A 531 TRP HBy 1.0 1.8 4.15 263 157 A 531 TRP HBx A 532 ILE H 1.0 1.8 4.15 264 158 A 531 TRP H A 532 ILE HG2% 1.0 1.8 4.16 265 159 A 531 TRP H A 532 ILE H 1.0 1.8 4.77 266 160 A 531 TRP HA A 533 PRO HDx 1.0 1.8 3.53 267 160 A 531 TRP HA A 533 PRO HDy 1.0 1.8 3.53 268 161 A 531 TRP HA A 540 GLU HGx 1.0 1.8 4.13 269 161 A 531 TRP HA A 540 GLU HGy 1.0 1.8 4.13 270 162 A 532 ILE HD1% A 532 ILE HA 1.0 1.8 4.52 271 163 A 532 ILE HD1% A 532 ILE H 1.0 1.8 4.08 272 164 A 532 ILE H A 532 ILE HG2% 1.0 1.8 3.41 273 165 A 532 ILE HD1% A 532 ILE HG2% 1.0 1.8 3.53 274 166 A 532 ILE H A 532 ILE HG1y 1.0 1.8 4.04 275 166 A 532 ILE H A 532 ILE HG1x 1.0 1.8 4.04 276 167 A 532 ILE HG2% A 532 ILE HA 1.0 1.8 4.29 277 168 A 532 ILE HD1% A 534 TYR HA 1.0 1.8 4.29 278 169 A 532 ILE HA A 540 GLU HGx 1.0 1.8 4.12 279 169 A 540 GLU HGy A 532 ILE HA 1.0 1.8 4.12 280 170 A 540 GLU H A 533 PRO HDx 1.0 1.8 4.71 281 170 A 533 PRO HDy A 540 GLU H 1.0 1.8 4.71 282 171 A 540 GLU H A 533 PRO HA 1.0 1.8 4.74 283 172 A 540 GLU HA A 533 PRO HDx 1.0 1.8 4.00 284 172 A 533 PRO HDy A 540 GLU HA 1.0 1.8 4.00 285 173 A 535 PHE HA A 535 PHE HD% 1.0 1.8 4.75 286 174 A 538 ALA HB% A 537 PRO HBy 1.0 1.8 4.30 287 174 A 537 PRO HBx A 538 ALA HB% 1.0 1.8 4.30 288 175 A 538 ALA H A 537 PRO HDx 1.0 1.8 4.66 289 175 A 537 PRO HDy A 538 ALA H 1.0 1.8 4.66 290 176 A 538 ALA H A 537 PRO HGx 1.0 1.8 3.84 291 176 A 538 ALA H A 537 PRO HGy 1.0 1.8 3.84 292 177 A 539 ALA HA A 537 PRO HGx 1.0 1.8 4.56 293 177 A 537 PRO HGy A 539 ALA HA 1.0 1.8 4.56 294 178 A 537 PRO HA A 539 ALA H 1.0 1.8 4.78 295 179 A 542 ILE HD1% A 537 PRO HDx 1.0 1.8 4.70 296 179 A 537 PRO HDy A 542 ILE HD1% 1.0 1.8 4.70 297 180 A 538 ALA HB% A 538 ALA H 1.0 1.8 3.46 298 181 A 538 ALA H A 539 ALA H 1.0 1.8 3.82 299 182 A 538 ALA HB% A 540 GLU HGx 1.0 1.8 4.41 300 182 A 540 GLU HGy A 538 ALA HB% 1.0 1.8 4.41 301 183 A 539 ALA H A 539 ALA HB% 1.0 1.8 3.43 302 184 A 539 ALA HB% A 540 GLU HBx 1.0 1.8 3.80 303 184 A 539 ALA HB% A 540 GLU HBy 1.0 1.8 3.80 304 185 A 540 GLU H A 539 ALA HB% 1.0 1.8 4.01 305 186 A 539 ALA HA A 542 ILE HD1% 1.0 1.8 4.31 306 187 A 539 ALA HB% A 543 TYR H 1.0 1.8 3.53 307 188 A 539 ALA HA A 543 TYR H 1.0 1.8 3.68 308 189 A 540 GLU H A 540 GLU HGx 1.0 1.8 3.61 309 189 A 540 GLU HGy A 540 GLU H 1.0 1.8 3.61 310 190 A 540 GLU H A 540 GLU HBx 1.0 1.8 4.21 311 190 A 540 GLU H A 540 GLU HBy 1.0 1.8 4.21 312 191 A 541 GLY H A 540 GLU HGx 1.0 1.8 4.65 313 191 A 540 GLU HGy A 541 GLY H 1.0 1.8 4.65 314 192 A 541 GLY H A 540 GLU HBx 1.0 1.8 3.76 315 192 A 540 GLU HBy A 541 GLY H 1.0 1.8 3.76 316 193 A 540 GLU H A 542 ILE HD1% 1.0 1.8 4.34 317 194 A 542 ILE H A 542 ILE HG1y 1.0 1.8 3.87 318 195 A 542 ILE H A 542 ILE HB 1.0 1.8 3.66 319 196 A 542 ILE HD1% A 542 ILE H 1.0 1.8 4.36 320 197 A 542 ILE H A 542 ILE HG1x 1.0 1.8 3.99 321 197 A 542 ILE H A 542 ILE HG1y 1.0 1.8 3.99 322 198 A 542 ILE H A 542 ILE HG1x 1.0 1.8 4.36 323 199 A 542 ILE HD1% A 543 TYR HA 1.0 1.8 4.05 324 200 A 543 TYR H A 542 ILE HG1x 1.0 1.8 4.07 325 200 A 543 TYR H A 542 ILE HG1y 1.0 1.8 4.07 326 201 A 542 ILE HG1x A 543 TYR HBx 1.0 1.8 4.75 327 201 A 542 ILE HG1y A 543 TYR HBx 1.0 1.8 4.75 328 201 A 543 TYR HBy A 542 ILE HG1x 1.0 1.8 4.75 329 201 A 542 ILE HG1y A 543 TYR HBy 1.0 1.8 4.75 330 202 A 543 TYR H A 542 ILE HG1y 1.0 1.8 4.20 331 203 A 543 TYR H A 542 ILE HB 1.0 1.8 3.96 332 204 A 543 TYR H A 542 ILE H 1.0 1.8 4.64 333 205 A 542 ILE H A 543 TYR HBx 1.0 1.8 3.56 334 205 A 542 ILE H A 543 TYR HBy 1.0 1.8 3.56 335 206 A 542 ILE HD1% A 543 TYR H 1.0 1.8 3.78 336 207 A 543 TYR H A 542 ILE HG1x 1.0 1.8 4.64 337 208 A 542 ILE H A 545 GLU HBx 1.0 1.8 4.92 338 208 A 542 ILE H A 545 GLU HBy 1.0 1.8 4.92 339 209 A 542 ILE HA A 545 GLU HBx 1.0 1.8 4.78 340 209 A 545 GLU HBy A 542 ILE HA 1.0 1.8 4.78 341 210 A 543 TYR HA A 543 TYR HD% 1.0 1.8 3.67 342 211 A 543 TYR H A 543 TYR HBx 1.0 1.8 4.43 343 211 A 543 TYR H A 543 TYR HBy 1.0 1.8 4.43 344 212 A 544 ALA HB% A 543 TYR H 1.0 1.8 3.45 345 213 A 545 GLU H A 543 TYR H 1.0 1.8 3.52 346 214 A 544 ALA H A 545 GLU HBx 1.0 1.8 4.01 347 214 A 544 ALA H A 545 GLU HBy 1.0 1.8 4.01 348 215 A 544 ALA HB% A 545 GLU H 1.0 1.8 3.73 349 216 A 545 GLU H A 545 GLU HBx 1.0 1.8 4.01 350 216 A 545 GLU H A 545 GLU HBy 1.0 1.8 4.01 351 217 A 545 GLU HA A 545 GLU HGx 1.0 1.8 3.60 352 217 A 545 GLU HA A 545 GLU HGy 1.0 1.8 3.60 353 218 A 545 GLU H A 545 GLU HGx 1.0 1.8 4.23 354 218 A 545 GLU H A 545 GLU HGy 1.0 1.8 4.23 355 219 A 546 GLY H A 545 GLU HGx 1.0 1.8 3.87 356 219 A 545 GLU HGy A 546 GLY H 1.0 1.8 3.87 357 220 A 546 GLY H A 545 GLU HBx 1.0 1.8 4.67 358 220 A 545 GLU HBy A 546 GLY H 1.0 1.8 4.67 359 221 A 547 LEU HA A 545 GLU HGx 1.0 1.8 4.13 360 221 A 545 GLU HGy A 547 LEU HA 1.0 1.8 4.13 361 222 A 548 MET HA A 545 GLU HGx 1.0 1.8 3.74 362 222 A 548 MET HA A 545 GLU HGy 1.0 1.8 3.74 363 223 A 546 GLY H A 547 LEU HD1% 1.0 1.8 4.80 364 223 A 546 GLY H A 547 LEU HD2% 1.0 1.8 4.80 365 224 A 546 GLY H A 547 LEU HBx 1.0 1.8 4.85 366 224 A 546 GLY H A 547 LEU HBy 1.0 1.8 4.85 367 225 A 547 LEU H A 547 LEU HD1% 1.0 1.8 3.39 368 225 A 547 LEU HD2% A 547 LEU H 1.0 1.8 3.39 369 226 A 547 LEU HA A 547 LEU HD1% 1.0 1.8 5.09 370 226 A 547 LEU HA A 547 LEU HD2% 1.0 1.8 5.09 371 227 A 548 MET H A 547 LEU HBx 1.0 1.8 4.57 372 227 A 547 LEU HBy A 548 MET H 1.0 1.8 4.57 373 228 A 548 MET H A 547 LEU HD1% 1.0 1.8 4.30 374 228 A 547 LEU HD2% A 548 MET H 1.0 1.8 4.30 375 229 A 547 LEU HG A 549 HIS H 1.0 1.8 4.99 376 230 A 547 LEU H A 550 ASN H 1.0 1.8 4.73 377 231 A 548 MET H A 548 MET HGx 1.0 1.8 4.34 378 231 A 548 MET HGy A 548 MET H 1.0 1.8 4.34 379 232 A 548 MET H A 548 MET HBx 1.0 1.8 3.93 380 232 A 548 MET HBy A 548 MET H 1.0 1.8 3.93 381 233 A 549 HIS H A 548 MET HBx 1.0 1.8 4.39 382 233 A 548 MET HBy A 549 HIS H 1.0 1.8 4.39 383 234 A 548 MET HA A 550 ASN HBx 1.0 1.8 5.11 384 234 A 548 MET HA A 550 ASN HBy 1.0 1.8 5.11 385 235 A 548 MET H A 550 ASN H 1.0 1.8 3.24 386 236 A 550 ASN H A 548 MET HBx 1.0 1.8 4.59 387 236 A 548 MET HBy A 550 ASN H 1.0 1.8 4.59 388 237 A 548 MET HA A 550 ASN H 1.0 1.8 3.96 389 238 A 548 MET HA A 551 GLN HGx 1.0 1.8 3.79 390 238 A 548 MET HA A 551 GLN HGy 1.0 1.8 3.79 391 239 A 549 HIS H A 549 HIS HBx 1.0 1.8 4.15 392 239 A 549 HIS H A 549 HIS HBy 1.0 1.8 4.15 393 240 A 550 ASN H A 549 HIS HBx 1.0 1.8 4.66 394 240 A 550 ASN H A 549 HIS HBy 1.0 1.8 4.66 395 241 A 549 HIS HA A 551 GLN HGx 1.0 1.8 4.31 396 241 A 551 GLN HGy A 549 HIS HA 1.0 1.8 4.31 397 242 A 550 ASN H A 550 ASN HBx 1.0 1.8 3.98 398 242 A 550 ASN H A 550 ASN HBy 1.0 1.8 3.98 399 243 A 550 ASN HA A 551 GLN H 1.0 1.8 3.45 400 244 A 551 GLN H A 550 ASN HBx 1.0 1.8 3.99 401 244 A 550 ASN HBy A 551 GLN H 1.0 1.8 3.99 402 245 A 550 ASN H A 551 GLN HGx 1.0 1.8 4.07 403 245 A 550 ASN H A 551 GLN HGy 1.0 1.8 4.07 404 246 A 551 GLN H A 551 GLN HBx 1.0 1.8 3.79 405 246 A 551 GLN H A 551 GLN HBy 1.0 1.8 3.79 406 247 A 551 GLN HA A 551 GLN HGx 1.0 1.8 3.99 407 247 A 551 GLN HGy A 551 GLN HA 1.0 1.8 3.99 408 248 A 551 GLN H A 551 GLN HGx 1.0 1.8 3.88 409 248 A 551 GLN HGy A 551 GLN H 1.0 1.8 3.88 410 249 A 552 ASP H A 551 GLN HGx 1.0 1.8 4.74 411 249 A 551 GLN HGy A 552 ASP H 1.0 1.8 4.74 412 250 A 551 GLN H A 552 ASP H 1.0 1.8 3.82 413 251 A 551 GLN HA A 553 GLY H 1.0 1.8 4.46 414 252 A 551 GLN H A 554 LEU HD1% 1.0 1.8 4.96 415 252 A 551 GLN H A 554 LEU HD2% 1.0 1.8 4.96 416 253 A 555 ILE HG2% A 551 GLN HGx 1.0 1.8 4.40 417 253 A 551 GLN HGy A 555 ILE HG2% 1.0 1.8 4.40 418 254 A 551 GLN H A 555 ILE HG1x 1.0 1.8 4.32 419 254 A 551 GLN H A 555 ILE HG1y 1.0 1.8 4.32 420 255 A 552 ASP H A 552 ASP HBx 1.0 1.8 3.68 421 255 A 552 ASP H A 552 ASP HBy 1.0 1.8 3.68 422 256 A 553 GLY H A 552 ASP HBx 1.0 1.8 4.46 423 256 A 553 GLY H A 552 ASP HBy 1.0 1.8 4.46 424 257 A 552 ASP HA A 553 GLY HAx 1.0 1.8 4.24 425 257 A 552 ASP HA A 553 GLY HAy 1.0 1.8 4.24 426 258 A 552 ASP HA A 554 LEU H 1.0 1.8 5.00 427 259 A 554 LEU HG A 553 GLY HAx 1.0 1.8 4.29 428 259 A 553 GLY HAy A 554 LEU HG 1.0 1.8 4.29 429 260 A 554 LEU H A 554 LEU HD1% 1.0 1.8 3.72 430 260 A 554 LEU HD2% A 554 LEU H 1.0 1.8 3.72 431 261 A 554 LEU H A 554 LEU HG 1.0 1.8 3.94 432 262 A 554 LEU H A 554 LEU HBx 1.0 1.8 4.42 433 262 A 554 LEU HBy A 554 LEU H 1.0 1.8 4.42 434 263 A 555 ILE HB A 554 LEU HBx 1.0 1.8 4.72 435 263 A 554 LEU HBy A 555 ILE HB 1.0 1.8 4.72 436 264 A 554 LEU HA A 555 ILE HD1% 1.0 1.8 4.20 437 265 A 555 ILE HA A 554 LEU HBx 1.0 1.8 3.97 438 265 A 554 LEU HBy A 555 ILE HA 1.0 1.8 3.97 439 266 A 556 CYS H A 554 LEU HBx 1.0 1.8 5.12 440 266 A 554 LEU HBy A 556 CYS H 1.0 1.8 5.12 441 267 A 555 ILE H A 555 ILE HG1x 1.0 1.8 3.90 442 267 A 555 ILE HG1y A 555 ILE H 1.0 1.8 3.90 443 268 A 555 ILE HB A 555 ILE H 1.0 1.8 3.67 444 269 A 555 ILE H A 555 ILE HG1x 1.0 1.8 4.06 445 270 A 555 ILE HD1% A 555 ILE H 1.0 1.8 4.44 446 271 A 555 ILE HD1% A 555 ILE HA 1.0 1.8 4.44 447 272 A 555 ILE HG1y A 555 ILE H 1.0 1.8 4.01 448 273 A 555 ILE HG2% A 555 ILE H 1.0 1.8 3.72 449 274 A 555 ILE H A 556 CYS HA 1.0 1.8 4.31 450 275 A 555 ILE HD1% A 556 CYS H 1.0 1.8 4.33 451 276 A 556 CYS H A 555 ILE H 1.0 1.8 4.16 452 277 A 555 ILE HB A 556 CYS H 1.0 1.8 5.04 453 278 A 555 ILE HD1% A 557 GLY H 1.0 1.8 4.29 454 279 A 556 CYS HBy A 557 GLY HAx 1.0 1.8 4.31 455 279 A 556 CYS HBx A 557 GLY HAx 1.0 1.8 4.31 456 279 A 557 GLY HAy A 556 CYS HBy 1.0 1.8 4.31 457 279 A 556 CYS HBx A 557 GLY HAy 1.0 1.8 4.31 458 280 A 557 GLY H A 558 LEU H 1.0 1.8 3.84 459 281 A 558 LEU HG A 557 GLY HAx 1.0 1.8 5.05 460 281 A 557 GLY HAy A 558 LEU HG 1.0 1.8 5.05 461 282 A 557 GLY H A 558 LEU HD1% 1.0 1.8 4.77 462 282 A 557 GLY H A 558 LEU HD2% 1.0 1.8 4.77 463 283 A 557 GLY H A 558 LEU HG 1.0 1.8 4.41 464 284 A 557 GLY H A 559 ARG HDx 1.0 1.8 4.73 465 284 A 557 GLY H A 559 ARG HDy 1.0 1.8 4.73 466 285 A 557 GLY HAx A 559 ARG HDx 1.0 1.8 4.68 467 285 A 557 GLY HAy A 559 ARG HDx 1.0 1.8 4.68 468 285 A 559 ARG HDy A 557 GLY HAx 1.0 1.8 4.68 469 285 A 557 GLY HAy A 559 ARG HDy 1.0 1.8 4.68 470 286 A 558 LEU H A 558 LEU HG 1.0 1.8 4.15 471 287 A 558 LEU HG A 558 LEU HA 1.0 1.8 3.47 472 288 A 558 LEU HA A 558 LEU HD1% 1.0 1.8 4.18 473 288 A 558 LEU HD2% A 558 LEU HA 1.0 1.8 4.18 474 289 A 558 LEU H A 558 LEU HD1% 1.0 1.8 4.03 475 289 A 558 LEU H A 558 LEU HD2% 1.0 1.8 4.03 476 290 A 558 LEU H A 558 LEU HBx 1.0 1.8 3.41 477 290 A 558 LEU H A 558 LEU HBy 1.0 1.8 3.41 478 291 A 559 ARG H A 558 LEU HD1% 1.0 1.8 3.51 479 291 A 558 LEU HD2% A 559 ARG H 1.0 1.8 3.51 480 292 A 558 LEU HD2% A 559 ARG HDx 1.0 1.8 4.22 481 292 A 558 LEU HD1% A 559 ARG HDx 1.0 1.8 4.22 482 292 A 559 ARG HDy A 558 LEU HD1% 1.0 1.8 4.22 483 292 A 558 LEU HD2% A 559 ARG HDy 1.0 1.8 4.22 484 293 A 558 LEU HD2% A 559 ARG HBx 1.0 1.8 4.37 485 293 A 558 LEU HD1% A 559 ARG HBx 1.0 1.8 4.37 486 293 A 559 ARG HBy A 558 LEU HD1% 1.0 1.8 4.37 487 293 A 559 ARG HBy A 558 LEU HD2% 1.0 1.8 4.37 488 294 A 558 LEU HG A 559 ARG HDx 1.0 1.8 4.09 489 294 A 558 LEU HG A 559 ARG HDy 1.0 1.8 4.09 490 295 A 558 LEU HA A 559 ARG HDx 1.0 1.8 4.37 491 295 A 559 ARG HDy A 558 LEU HA 1.0 1.8 4.37 492 296 A 558 LEU HA A 559 ARG H 1.0 1.8 3.67 493 297 A 559 ARG H A 559 ARG HGx 1.0 1.8 3.64 494 297 A 559 ARG H A 559 ARG HGy 1.0 1.8 3.64 495 298 A 559 ARG H A 559 ARG HBx 1.0 1.8 4.19 496 298 A 559 ARG HBy A 559 ARG H 1.0 1.8 4.19 497 299 A 559 ARG HBy A 560 GLN HGx 1.0 1.8 4.38 498 299 A 559 ARG HBx A 560 GLN HGx 1.0 1.8 4.38 499 299 A 560 GLN HGy A 559 ARG HBx 1.0 1.8 4.38 500 299 A 559 ARG HBy A 560 GLN HGy 1.0 1.8 4.38 501 300 A 560 GLN H A 559 ARG HBx 1.0 1.8 4.08 502 300 A 560 GLN H A 559 ARG HBy 1.0 1.8 4.08 503 301 A 560 GLN H A 559 ARG HGx 1.0 1.8 4.53 504 301 A 560 GLN H A 559 ARG HGy 1.0 1.8 4.53 505 302 A 560 GLN HA A 559 ARG HBx 1.0 1.8 3.25 506 302 A 559 ARG HBy A 560 GLN HA 1.0 1.8 3.25 507 303 A 560 GLN HE2x A 559 ARG HDx 1.0 1.8 4.53 508 303 A 559 ARG HDy A 560 GLN HE2x 1.0 1.8 4.53 509 304 A 560 GLN HE2y A 559 ARG HDx 1.0 1.8 4.19 510 304 A 559 ARG HDy A 560 GLN HE2y 1.0 1.8 4.19 511 305 A 560 GLN H A 560 GLN HGx 1.0 1.8 3.66 512 305 A 560 GLN H A 560 GLN HGy 1.0 1.8 3.66 513 306 A 560 GLN H A 560 GLN HBx 1.0 1.8 4.34 514 306 A 560 GLN H A 560 GLN HBy 1.0 1.8 4.34 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 -128.1 -25.1 PHI 2 2 A 508 GLN N A 508 GLN CA A 508 GLN C A 509 PRO N 1.0 77.8 186.6 PSI 3 3 A 511 CYS C A 512 ASN N A 512 ASN CA A 512 ASN C 1.0 -164.0 -28.8 PHI 4 4 A 512 ASN N A 512 ASN CA A 512 ASN C A 513 PRO N 1.0 74.0 182.8 PSI 5 5 A 513 PRO C A 514 ASN N A 514 ASN CA A 514 ASN C 1.0 -96.6 -40.8 PHI 6 6 A 514 ASN N A 514 ASN CA A 514 ASN C A 515 LEU N 1.0 -63.7 3.9 PSI 7 7 A 514 ASN C A 515 LEU N A 515 LEU CA A 515 LEU C 1.0 -95.5 -35.5 PHI 8 8 A 515 LEU C A 516 HIS N A 516 HIS CA A 516 HIS C 1.0 -96.4 -36.4 PHI 9 9 A 516 HIS N A 516 HIS CA A 516 HIS C A 517 TYR N 1.0 -67.5 -7.5 PSI 10 10 A 516 HIS C A 517 TYR N A 517 TYR CA A 517 TYR C 1.0 -97.9 -37.9 PHI 11 11 A 517 TYR N A 517 TYR CA A 517 TYR C A 518 TRP N 1.0 -66.0 -2.2 PSI 12 12 A 517 TYR C A 518 TRP N A 518 TRP CA A 518 TRP C 1.0 -117.9 -31.9 PHI 13 13 A 518 TRP N A 518 TRP CA A 518 TRP C A 519 THR N 1.0 -66.2 10.6 PSI 14 14 A 520 THR N A 520 THR CA A 520 THR C A 521 GLN N 1.0 -62.0 -4.0 PSI 15 15 A 520 THR C A 521 GLN N A 521 GLN CA A 521 GLN C 1.0 -93.4 -33.4 PHI 16 16 A 521 GLN N A 521 GLN CA A 521 GLN C A 522 ASP N 1.0 -62.9 -12.1 PSI 17 17 A 521 GLN C A 522 ASP N A 522 ASP CA A 522 ASP C 1.0 -93.8 -33.8 PHI 18 18 A 522 ASP N A 522 ASP CA A 522 ASP C A 523 GLU N 1.0 -61.1 -12.1 PSI 19 19 A 522 ASP C A 523 GLU N A 523 GLU CA A 523 GLU C 1.0 -99.9 -45.9 PHI 20 20 A 523 GLU N A 523 GLU CA A 523 GLU C A 524 GLY N 1.0 -47.5 12.1 PSI 21 21 A 526 ALA C A 527 ILE N A 527 ILE CA A 527 ILE C 1.0 -94.9 -34.9 PHI 22 22 A 527 ILE N A 527 ILE CA A 527 ILE C A 528 GLY N 1.0 -67.3 -0.7 PSI 23 23 A 528 GLY C A 529 LEU N A 529 LEU CA A 529 LEU C 1.0 -98.3 -36.9 PHI 24 24 A 529 LEU N A 529 LEU CA A 529 LEU C A 530 ALA N 1.0 -67.1 -6.9 PSI 25 25 A 529 LEU C A 530 ALA N A 530 ALA CA A 530 ALA C 1.0 -103.4 -50.0 PHI 26 26 A 530 ALA N A 530 ALA CA A 530 ALA C A 531 TRP N 1.0 -57.3 1.3 PSI 27 27 A 530 ALA C A 531 TRP N A 531 TRP CA A 531 TRP C 1.0 -143.9 -56.3 PHI 28 28 A 531 TRP N A 531 TRP CA A 531 TRP C A 532 ILE N 1.0 -43.3 30.1 PSI 29 29 A 533 PRO C A 534 TYR N A 534 TYR CA A 534 TYR C 1.0 -96.0 -36.0 PHI 30 30 A 534 TYR N A 534 TYR CA A 534 TYR C A 535 PHE N 1.0 -54.2 4.4 PSI 31 31 A 534 TYR C A 535 PHE N A 535 PHE CA A 535 PHE C 1.0 -117.8 -57.8 PHI 32 32 A 535 PHE N A 535 PHE CA A 535 PHE C A 536 GLY N 1.0 -34.7 23.7 PSI 33 33 A 537 PRO C A 538 ALA N A 538 ALA CA A 538 ALA C 1.0 -99.2 -38.6 PHI 34 34 A 538 ALA N A 538 ALA CA A 538 ALA C A 539 ALA N 1.0 -59.7 16.1 PSI 35 35 A 539 ALA N A 539 ALA CA A 539 ALA C A 540 GLU N 1.0 -68.7 -8.7 PSI 36 36 A 539 ALA C A 540 GLU N A 540 GLU CA A 540 GLU C 1.0 -97.9 -37.9 PHI 37 37 A 540 GLU N A 540 GLU CA A 540 GLU C A 541 GLY N 1.0 -65.3 1.1 PSI 38 38 A 541 GLY C A 542 ILE N A 542 ILE CA A 542 ILE C 1.0 -96.1 -36.1 PHI 39 39 A 542 ILE N A 542 ILE CA A 542 ILE C A 543 TYR N 1.0 -71.9 -11.9 PSI 40 40 A 543 TYR N A 543 TYR CA A 543 TYR C A 544 ALA N 1.0 -65.1 -5.1 PSI 41 41 A 543 TYR C A 544 ALA N A 544 ALA CA A 544 ALA C 1.0 -102.9 -46.7 PHI 42 42 A 544 ALA N A 544 ALA CA A 544 ALA C A 545 GLU N 1.0 -49.9 10.5 PSI 43 43 A 544 ALA C A 545 GLU N A 545 GLU CA A 545 GLU C 1.0 -118.4 -51.0 PHI 44 44 A 545 GLU N A 545 GLU CA A 545 GLU C A 546 GLY N 1.0 -31.2 22.4 PSI 45 45 A 545 GLU C A 546 GLY N A 546 GLY CA A 546 GLY C 1.0 35.6 122.4 PHI 46 46 A 546 GLY N A 546 GLY CA A 546 GLY C A 547 LEU N 1.0 -2.0 55.0 PSI 47 47 A 547 LEU N A 547 LEU CA A 547 LEU C A 548 MET N 1.0 -60.4 -1.6 PSI 48 48 A 547 LEU C A 548 MET N A 548 MET CA A 548 MET C 1.0 -95.7 -45.9 PHI 49 49 A 548 MET N A 548 MET CA A 548 MET C A 549 HIS N 1.0 -74.5 11.3 PSI 50 50 A 548 MET C A 549 HIS N A 549 HIS CA A 549 HIS C 1.0 -85.2 -45.2 PHI 51 51 A 549 HIS N A 549 HIS CA A 549 HIS C A 550 ASN N 1.0 -71.8 -11.8 PSI 52 52 A 549 HIS C A 550 ASN N A 550 ASN CA A 550 ASN C 1.0 -96.0 -36.0 PHI 53 53 A 550 ASN N A 550 ASN CA A 550 ASN C A 551 GLN N 1.0 -67.1 -8.3 PSI 54 54 A 550 ASN C A 551 GLN N A 551 GLN CA A 551 GLN C 1.0 -93.8 -33.8 PHI 55 55 A 551 GLN C A 552 ASP N A 552 ASP CA A 552 ASP C 1.0 -113.7 -53.7 PHI 56 56 A 552 ASP N A 552 ASP CA A 552 ASP C A 553 GLY N 1.0 -38.5 21.5 PSI 57 57 A 552 ASP C A 553 GLY N A 553 GLY CA A 553 GLY C 1.0 65.3 123.5 PHI 58 58 A 553 GLY N A 553 GLY CA A 553 GLY C A 554 LEU N 1.0 -38.8 58.2 PSI 59 59 A 554 LEU C A 555 ILE N A 555 ILE CA A 555 ILE C 1.0 -89.1 -46.1 PHI 60 60 A 555 ILE C A 556 CYS N A 556 CYS CA A 556 CYS C 1.0 -96.9 -36.9 PHI 61 61 A 556 CYS N A 556 CYS CA A 556 CYS C A 557 GLY N 1.0 -63.5 -7.7 PSI 62 62 A 556 CYS C A 557 GLY N A 557 GLY CA A 557 GLY C 1.0 -94.6 -34.6 PHI 63 63 A 557 GLY N A 557 GLY CA A 557 GLY C A 558 LEU N 1.0 -62.7 -2.7 PSI 64 64 A 557 GLY C A 558 LEU N A 558 LEU CA A 558 LEU C 1.0 -115.3 -35.1 PHI 65 65 A 558 LEU N A 558 LEU CA A 558 LEU C A 559 ARG N 1.0 -72.2 27.4 PSI stop_ save_