data_nef_c19516_2mv7 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2LM0 PDB 2me5 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly 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 500 ASP start . . 2 A 501 LYS middle . . 3 A 502 ALA middle . . 4 A 503 TYR middle . . 5 A 504 LEU middle . . 6 A 505 ASP middle . . 7 A 506 GLU middle . . 8 A 507 LEU middle . . 9 A 508 VAL middle . . 10 A 509 GLU middle . . 11 A 510 LEU middle . . 12 A 511 HIS middle . . 13 A 512 ARG middle . . 14 A 513 ARG middle . . 15 A 514 LEU middle . . 16 A 515 MET middle . . 17 A 516 THR middle . . 18 A 517 LEU middle . . 19 A 518 ARG middle . . 20 A 519 GLU middle . . 21 A 520 ARG middle . . 22 A 521 HIS middle . . 23 A 522 ILE middle . . 24 A 523 LEU middle . . 25 A 524 GLN middle . . 26 A 525 GLN middle . . 27 A 526 ILE middle . . 28 A 527 VAL middle . . 29 A 528 ASN middle . . 30 A 529 LEU middle . . 31 A 530 ILE middle . . 32 A 531 GLU middle . . 33 A 532 GLU middle . . 34 A 533 THR middle . . 35 A 534 GLY middle . false 36 A 535 HIS middle . . 37 A 536 PHE middle . . 38 A 537 HIS middle . . 39 A 538 ILE middle . . 40 A 539 THR middle . . 41 A 540 ASN middle . . 42 A 541 THR middle . . 43 A 542 THR middle . . 44 A 543 PHE middle . . 45 A 544 ASP middle . . 46 A 545 PHE middle . . 47 A 546 ASP middle . . 48 A 547 LEU middle . . 49 A 548 CYS middle . . 50 A 549 SER middle . . 51 A 550 LEU middle . . 52 A 551 ASP middle . . 53 A 552 LYS middle . . 54 A 553 THR middle . . 55 A 554 THR middle . . 56 A 555 VAL middle . . 57 A 556 ARG middle . . 58 A 557 LYS middle . . 59 A 558 LEU middle . . 60 A 559 GLN middle . . 61 A 560 SER middle . . 62 A 561 TYR middle . . 63 A 562 LEU middle . . 64 A 563 GLU middle . . 65 A 564 THR middle . . 66 A 565 SER middle . . 67 A 566 GLY middle . false 68 A 567 THR middle . . 69 A 568 SER end . . 70 B 876 THR start . . 71 B 877 ASN middle . . 72 B 878 LYS middle . . 73 B 879 LEU middle . . 74 B 880 PRO middle . false 75 B 881 VAL middle . . 76 B 882 SER middle . . 77 B 883 ILE middle . . 78 B 884 PRO middle . false 79 B 885 LEU middle . . 80 B 886 ALA middle . . 81 B 887 SER middle . . 82 B 888 VAL middle . . 83 B 889 VAL middle . . 84 B 890 LEU middle . . 85 B 891 PRO middle . false 86 B 892 SER middle . . 87 B 893 ARG middle . . 88 B 894 ALA middle . . 89 B 895 GLU middle . . 90 B 896 ARG middle . . 91 B 897 ALA middle . . 92 B 898 ARG middle . . 93 B 899 SER middle . . 94 B 900 THR 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 500 ASP C C 13 175.974 0.000 A 500 ASP CA C 13 54.070 0.000 A 500 ASP CB C 13 41.855 0.000 A 501 LYS H H 1 8.677 0.002 A 501 LYS HA H 1 4.007 0.002 A 501 LYS HB2 H 1 1.872 0.012 A 501 LYS HB3 H 1 1.872 0.012 A 501 LYS HD2 H 1 1.631 0.002 A 501 LYS HD3 H 1 1.752 0.007 A 501 LYS HE2 H 1 3.018 0.003 A 501 LYS HE3 H 1 3.018 0.003 A 501 LYS HG2 H 1 1.473 0.003 A 501 LYS HG3 H 1 1.473 0.003 A 501 LYS C C 13 177.113 0.000 A 501 LYS CA C 13 59.115 0.000 A 501 LYS CB C 13 32.793 0.023 A 501 LYS CD C 13 28.839 0.073 A 501 LYS CE C 13 42.274 0.128 A 501 LYS CG C 13 24.909 0.079 A 501 LYS N N 15 125.415 0.015 A 502 ALA H H 1 8.382 0.005 A 502 ALA HA H 1 4.240 0.005 A 502 ALA HB% H 1 1.490 0.000 A 502 ALA C C 13 180.345 0.000 A 502 ALA CA C 13 54.738 0.020 A 502 ALA CB C 13 18.172 0.000 A 502 ALA N N 15 120.718 0.037 A 503 TYR H H 1 7.817 0.005 A 503 TYR HA H 1 4.543 0.003 A 503 TYR HB2 H 1 2.918 0.012 A 503 TYR HB3 H 1 3.252 0.001 A 503 TYR HD1 H 1 7.172 0.000 A 503 TYR HD2 H 1 7.172 0.000 A 503 TYR HE1 H 1 6.739 0.000 A 503 TYR HE2 H 1 6.739 0.000 A 503 TYR C C 13 177.235 0.000 A 503 TYR CA C 13 60.020 0.125 A 503 TYR CB C 13 38.707 0.033 A 503 TYR CD1 C 13 132.827 0.000 A 503 TYR CD2 C 13 132.827 0.000 A 503 TYR CE1 C 13 117.810 0.000 A 503 TYR CE2 C 13 117.810 0.000 A 503 TYR N N 15 120.200 0.015 A 504 LEU H H 1 8.175 0.005 A 504 LEU HA H 1 3.857 0.005 A 504 LEU HB2 H 1 1.530 0.003 A 504 LEU HB3 H 1 1.839 0.010 A 504 LEU HD1% H 1 0.854 0.000 A 504 LEU HD2% H 1 0.858 0.010 A 504 LEU HG H 1 0.611 0.004 A 504 LEU C C 13 178.616 0.000 A 504 LEU CA C 13 58.200 0.029 A 504 LEU CB C 13 41.066 0.050 A 504 LEU CD1 C 13 23.163 0.041 A 504 LEU CD2 C 13 25.099 0.083 A 504 LEU CG C 13 26.752 0.179 A 504 LEU N N 15 120.133 0.023 A 505 ASP H H 1 8.308 0.002 A 505 ASP HA H 1 4.307 0.003 A 505 ASP HB2 H 1 2.593 0.002 A 505 ASP HB3 H 1 2.814 0.003 A 505 ASP C C 13 179.849 0.000 A 505 ASP CA C 13 57.578 0.000 A 505 ASP CB C 13 39.811 0.000 A 505 ASP N N 15 117.709 0.030 A 506 GLU H H 1 7.657 0.006 A 506 GLU HA H 1 4.038 0.003 A 506 GLU HB2 H 1 2.001 0.001 A 506 GLU HB3 H 1 2.272 0.001 A 506 GLU HG2 H 1 2.067 0.002 A 506 GLU HG3 H 1 2.500 0.003 A 506 GLU C C 13 179.957 0.000 A 506 GLU CA C 13 59.786 0.000 A 506 GLU CB C 13 29.644 0.047 A 506 GLU CG C 13 36.570 0.028 A 506 GLU N N 15 121.244 0.023 A 507 LEU H H 1 8.255 0.004 A 507 LEU HA H 1 3.860 0.003 A 507 LEU HB2 H 1 1.136 0.004 A 507 LEU HB3 H 1 1.861 0.003 A 507 LEU HD2% H 1 0.607 0.002 A 507 LEU HG H 1 1.225 0.007 A 507 LEU C C 13 178.973 0.000 A 507 LEU CA C 13 57.925 0.174 A 507 LEU CB C 13 41.882 0.050 A 507 LEU CD2 C 13 23.415 0.076 A 507 LEU CG C 13 25.727 0.064 A 507 LEU N N 15 121.550 0.006 A 508 VAL H H 1 8.679 0.003 A 508 VAL HA H 1 3.522 0.003 A 508 VAL HB H 1 2.171 0.004 A 508 VAL HG1% H 1 0.965 0.003 A 508 VAL HG2% H 1 1.057 0.002 A 508 VAL C C 13 178.831 0.000 A 508 VAL CA C 13 67.098 0.032 A 508 VAL CB C 13 31.988 0.000 A 508 VAL CG1 C 13 21.096 0.068 A 508 VAL CG2 C 13 23.547 0.044 A 508 VAL N N 15 121.174 0.033 A 509 GLU H H 1 7.534 0.006 A 509 GLU HA H 1 4.286 0.005 A 509 GLU HB2 H 1 2.024 0.002 A 509 GLU HB3 H 1 2.107 0.000 A 509 GLU HG2 H 1 2.285 0.003 A 509 GLU HG3 H 1 2.387 0.002 A 509 GLU C C 13 178.354 0.000 A 509 GLU CA C 13 58.837 0.111 A 509 GLU CB C 13 28.859 0.177 A 509 GLU CG C 13 35.311 0.001 A 509 GLU N N 15 120.516 0.038 A 510 LEU H H 1 8.018 0.006 A 510 LEU HA H 1 4.141 0.008 A 510 LEU HB2 H 1 1.667 0.008 A 510 LEU HB3 H 1 2.010 0.005 A 510 LEU HD1% H 1 0.952 0.006 A 510 LEU C C 13 177.961 0.000 A 510 LEU CA C 13 57.722 0.060 A 510 LEU CB C 13 41.776 0.068 A 510 LEU CD1 C 13 23.651 0.054 A 510 LEU CD2 C 13 26.139 0.000 A 510 LEU CG C 13 27.328 0.000 A 510 LEU N N 15 121.442 0.015 A 511 HIS H H 1 9.028 0.003 A 511 HIS HA H 1 3.708 0.002 A 511 HIS HB2 H 1 3.123 0.001 A 511 HIS HB3 H 1 3.419 0.002 A 511 HIS HD2 H 1 6.476 0.000 A 511 HIS HE1 H 1 7.858 0.000 A 511 HIS C C 13 176.325 0.000 A 511 HIS CA C 13 62.252 0.067 A 511 HIS CB C 13 31.459 0.081 A 511 HIS CD2 C 13 117.012 0.000 A 511 HIS CE1 C 13 137.626 0.000 A 511 HIS N N 15 119.858 0.043 A 512 ARG H H 1 7.942 0.005 A 512 ARG HA H 1 3.859 0.005 A 512 ARG HB2 H 1 2.032 0.007 A 512 ARG HB3 H 1 2.032 0.007 A 512 ARG HD2 H 1 3.163 0.007 A 512 ARG HD3 H 1 3.280 0.007 A 512 ARG HG2 H 1 1.589 0.006 A 512 ARG HG3 H 1 1.805 0.007 A 512 ARG C C 13 179.801 0.000 A 512 ARG CA C 13 59.584 0.000 A 512 ARG CB C 13 30.154 0.000 A 512 ARG CD C 13 43.350 0.000 A 512 ARG CG C 13 27.345 0.025 A 512 ARG N N 15 117.523 0.047 A 513 ARG H H 1 7.845 0.005 A 513 ARG HA H 1 4.041 0.003 A 513 ARG HB2 H 1 1.948 0.004 A 513 ARG HB3 H 1 1.948 0.004 A 513 ARG HD2 H 1 3.162 0.000 A 513 ARG HD3 H 1 3.245 0.001 A 513 ARG C C 13 179.852 0.000 A 513 ARG CA C 13 58.766 0.035 A 513 ARG CB C 13 30.582 0.037 A 513 ARG CD C 13 43.367 0.000 A 513 ARG CG C 13 27.363 0.000 A 513 ARG N N 15 117.870 0.019 A 514 LEU H H 1 8.753 0.002 A 514 LEU HA H 1 4.031 0.004 A 514 LEU HB2 H 1 1.324 0.002 A 514 LEU HB3 H 1 1.960 0.004 A 514 LEU HD1% H 1 1.054 0.003 A 514 LEU HD2% H 1 0.972 0.005 A 514 LEU HG H 1 2.011 0.005 A 514 LEU C C 13 178.922 0.000 A 514 LEU CA C 13 57.671 0.000 A 514 LEU CB C 13 41.926 0.024 A 514 LEU CD1 C 13 27.977 0.072 A 514 LEU CD2 C 13 24.627 0.084 A 514 LEU CG C 13 26.824 0.109 A 514 LEU N N 15 119.343 0.023 A 515 MET H H 1 7.810 0.004 A 515 MET HA H 1 4.397 0.005 A 515 MET HB2 H 1 2.305 0.005 A 515 MET HB3 H 1 2.452 0.004 A 515 MET C C 13 177.921 0.000 A 515 MET CA C 13 56.895 0.090 A 515 MET CB C 13 31.659 0.021 A 515 MET N N 15 115.167 0.026 A 516 THR H H 1 7.269 0.003 A 516 THR HA H 1 4.441 0.002 A 516 THR HB H 1 4.298 0.000 A 516 THR HG2% H 1 1.244 0.000 A 516 THR C C 13 174.390 0.000 A 516 THR CA C 13 61.133 0.007 A 516 THR CB C 13 69.787 0.006 A 516 THR CG2 C 13 21.688 0.000 A 516 THR N N 15 106.551 0.018 A 517 LEU H H 1 7.036 0.004 A 517 LEU HA H 1 4.283 0.002 A 517 LEU HB2 H 1 1.664 0.006 A 517 LEU HB3 H 1 1.788 0.005 A 517 LEU HD1% H 1 1.041 0.002 A 517 LEU HD2% H 1 0.882 0.004 A 517 LEU C C 13 177.241 0.000 A 517 LEU CA C 13 56.137 0.038 A 517 LEU CB C 13 42.974 0.048 A 517 LEU CD1 C 13 24.920 0.042 A 517 LEU CD2 C 13 25.922 0.028 A 517 LEU N N 15 123.805 0.024 A 518 ARG H H 1 9.040 0.002 A 518 ARG HA H 1 4.598 0.004 A 518 ARG HB2 H 1 1.714 0.002 A 518 ARG HB3 H 1 2.007 0.004 A 518 ARG HD2 H 1 3.154 0.003 A 518 ARG HD3 H 1 3.265 0.001 A 518 ARG HG2 H 1 1.655 0.002 A 518 ARG HG3 H 1 1.655 0.002 A 518 ARG C C 13 175.915 0.000 A 518 ARG CA C 13 54.831 0.030 A 518 ARG CB C 13 32.442 0.000 A 518 ARG CD C 13 43.029 0.008 A 518 ARG CG C 13 26.655 0.015 A 518 ARG N N 15 122.669 0.029 A 519 GLU H H 1 7.172 0.006 A 519 GLU HA H 1 4.295 0.001 A 519 GLU HB2 H 1 1.962 0.001 A 519 GLU HB3 H 1 1.962 0.001 A 519 GLU HG2 H 1 2.449 0.004 A 519 GLU HG3 H 1 2.449 0.004 A 519 GLU C C 13 177.016 0.000 A 519 GLU CA C 13 57.380 0.022 A 519 GLU CB C 13 30.017 0.014 A 519 GLU CG C 13 36.714 0.000 A 519 GLU N N 15 121.385 0.073 A 520 ARG H H 1 8.918 0.005 A 520 ARG HA H 1 3.811 0.003 A 520 ARG HB2 H 1 1.953 0.004 A 520 ARG HB3 H 1 1.953 0.004 A 520 ARG HD2 H 1 3.257 0.003 A 520 ARG HD3 H 1 3.257 0.003 A 520 ARG HG2 H 1 1.670 0.004 A 520 ARG HG3 H 1 1.880 0.005 A 520 ARG C C 13 177.930 0.000 A 520 ARG CA C 13 60.867 0.142 A 520 ARG CB C 13 30.187 0.022 A 520 ARG CD C 13 43.527 0.026 A 520 ARG CG C 13 27.725 0.084 A 520 ARG N N 15 128.171 0.029 A 521 HIS H H 1 9.073 0.019 A 521 HIS HA H 1 4.402 0.001 A 521 HIS HB2 H 1 3.222 0.003 A 521 HIS HB3 H 1 3.357 0.003 A 521 HIS HD2 H 1 7.147 0.000 A 521 HIS HE1 H 1 8.225 0.000 A 521 HIS C C 13 177.637 0.000 A 521 HIS CA C 13 59.645 0.117 A 521 HIS CB C 13 28.425 0.083 A 521 HIS CD2 C 13 119.570 0.000 A 521 HIS CE1 C 13 137.406 0.000 A 521 HIS N N 15 116.808 0.056 A 522 ILE H H 1 7.088 0.041 A 522 ILE HA H 1 3.896 0.003 A 522 ILE HB H 1 1.782 0.002 A 522 ILE HD1% H 1 0.868 0.003 A 522 ILE HG12 H 1 1.002 0.005 A 522 ILE HG13 H 1 1.289 0.002 A 522 ILE HG2% H 1 0.923 0.003 A 522 ILE C C 13 177.866 0.000 A 522 ILE CA C 13 63.397 0.048 A 522 ILE CB C 13 37.650 0.044 A 522 ILE CD1 C 13 12.694 0.069 A 522 ILE CG1 C 13 28.247 0.106 A 522 ILE CG2 C 13 18.274 0.034 A 522 ILE N N 15 119.592 0.035 A 523 LEU H H 1 7.905 0.007 A 523 LEU HA H 1 3.819 0.006 A 523 LEU HB2 H 1 1.022 0.005 A 523 LEU HB3 H 1 1.764 0.011 A 523 LEU HD1% H 1 0.731 0.003 A 523 LEU HD2% H 1 0.605 0.001 A 523 LEU HG H 1 0.823 0.000 A 523 LEU C C 13 178.379 0.000 A 523 LEU CA C 13 58.386 0.126 A 523 LEU CB C 13 41.318 0.020 A 523 LEU CD1 C 13 25.500 0.041 A 523 LEU N N 15 119.719 0.021 A 524 GLN H H 1 8.265 0.006 A 524 GLN HA H 1 3.552 0.003 A 524 GLN HB2 H 1 2.064 0.016 A 524 GLN HB3 H 1 2.268 0.006 A 524 GLN HG2 H 1 2.073 0.002 A 524 GLN HG3 H 1 2.326 0.004 A 524 GLN C C 13 177.441 0.000 A 524 GLN CA C 13 58.259 0.000 A 524 GLN CB C 13 29.097 0.067 A 524 GLN CG C 13 33.829 0.011 A 524 GLN N N 15 116.700 0.030 A 525 GLN H H 1 7.300 0.011 A 525 GLN HA H 1 3.777 0.002 A 525 GLN HB2 H 1 1.282 0.009 A 525 GLN HB3 H 1 1.837 0.008 A 525 GLN HG2 H 1 1.933 0.004 A 525 GLN HG3 H 1 2.135 0.003 A 525 GLN C C 13 179.278 0.000 A 525 GLN CA C 13 58.986 0.000 A 525 GLN CB C 13 28.545 0.014 A 525 GLN CG C 13 33.954 0.054 A 525 GLN N N 15 117.608 0.021 A 526 ILE H H 1 8.039 0.006 A 526 ILE HA H 1 3.434 0.002 A 526 ILE HB H 1 2.010 0.001 A 526 ILE HD1% H 1 0.823 0.003 A 526 ILE HG12 H 1 0.994 0.006 A 526 ILE HG13 H 1 1.927 0.003 A 526 ILE HG2% H 1 0.815 0.006 A 526 ILE C C 13 176.638 0.000 A 526 ILE CA C 13 66.116 0.032 A 526 ILE CB C 13 37.581 0.031 A 526 ILE CD1 C 13 14.523 0.190 A 526 ILE CG1 C 13 29.343 0.067 A 526 ILE CG2 C 13 17.392 0.083 A 526 ILE N N 15 119.883 0.043 A 527 VAL H H 1 8.052 0.003 A 527 VAL HA H 1 2.791 0.004 A 527 VAL HB H 1 1.575 0.002 A 527 VAL HG1% H 1 -0.027 0.003 A 527 VAL HG2% H 1 0.347 0.002 A 527 VAL C C 13 176.957 0.000 A 527 VAL CA C 13 66.371 0.064 A 527 VAL CB C 13 30.623 0.025 A 527 VAL CG1 C 13 19.914 0.031 A 527 VAL CG2 C 13 22.980 0.126 A 527 VAL N N 15 119.535 0.050 A 528 ASN H H 1 8.172 0.006 A 528 ASN HA H 1 4.138 0.002 A 528 ASN HB2 H 1 2.688 0.003 A 528 ASN HB3 H 1 2.763 0.001 A 528 ASN C C 13 178.148 0.000 A 528 ASN CA C 13 55.696 0.000 A 528 ASN CB C 13 37.192 0.015 A 528 ASN N N 15 117.957 0.036 A 529 LEU H H 1 7.666 0.007 A 529 LEU HA H 1 4.166 0.010 A 529 LEU HB2 H 1 1.941 0.006 A 529 LEU HB3 H 1 1.941 0.006 A 529 LEU HD1% H 1 0.988 0.008 A 529 LEU HD2% H 1 0.926 0.004 A 529 LEU HG H 1 1.421 0.006 A 529 LEU C C 13 178.908 0.000 A 529 LEU CA C 13 57.870 0.130 A 529 LEU CB C 13 42.512 0.106 A 529 LEU CD1 C 13 26.911 0.083 A 529 LEU CD2 C 13 23.608 0.020 A 529 LEU CG C 13 27.304 0.123 A 529 LEU N N 15 120.654 0.008 A 530 ILE H H 1 8.543 0.005 A 530 ILE HA H 1 3.677 0.002 A 530 ILE HB H 1 1.782 0.003 A 530 ILE HD1% H 1 0.230 0.002 A 530 ILE HG12 H 1 -0.089 0.008 A 530 ILE HG13 H 1 1.481 0.004 A 530 ILE HG2% H 1 0.669 0.002 A 530 ILE C C 13 180.762 0.000 A 530 ILE CA C 13 61.592 0.000 A 530 ILE CB C 13 34.726 0.051 A 530 ILE CD1 C 13 10.152 0.014 A 530 ILE CG1 C 13 26.255 0.041 A 530 ILE CG2 C 13 18.432 0.025 A 530 ILE N N 15 117.213 0.046 A 531 GLU H H 1 9.276 0.005 A 531 GLU HA H 1 3.940 0.004 A 531 GLU HB2 H 1 2.089 0.006 A 531 GLU HB3 H 1 2.089 0.006 A 531 GLU HG2 H 1 1.998 0.001 A 531 GLU HG3 H 1 1.998 0.001 A 531 GLU C C 13 178.698 0.000 A 531 GLU CA C 13 59.763 0.036 A 531 GLU CB C 13 27.691 0.157 A 531 GLU CG C 13 35.078 0.063 A 531 GLU N N 15 124.050 0.047 A 532 GLU H H 1 7.003 0.011 A 532 GLU HA H 1 3.995 0.006 A 532 GLU HB2 H 1 2.183 0.014 A 532 GLU HB3 H 1 2.183 0.014 A 532 GLU HG2 H 1 2.343 0.003 A 532 GLU HG3 H 1 2.498 0.001 A 532 GLU C C 13 178.030 0.000 A 532 GLU CA C 13 58.903 0.000 A 532 GLU CB C 13 29.666 0.021 A 532 GLU CG C 13 36.135 0.045 A 532 GLU N N 15 116.396 0.030 A 533 THR H H 1 7.611 0.006 A 533 THR HA H 1 4.328 0.000 A 533 THR C C 13 176.559 0.000 A 533 THR CA C 13 63.112 0.000 A 533 THR CB C 13 71.513 0.000 A 533 THR N N 15 107.227 0.019 A 534 GLY H H 1 7.618 0.007 A 534 GLY HA2 H 1 3.941 0.001 A 534 GLY HA3 H 1 4.248 0.001 A 534 GLY C C 13 174.199 0.000 A 534 GLY CA C 13 45.527 0.000 A 534 GLY N N 15 106.448 0.024 A 535 HIS H H 1 8.430 0.006 A 535 HIS HA H 1 4.909 0.004 A 535 HIS HB2 H 1 3.118 0.002 A 535 HIS HB3 H 1 3.244 0.001 A 535 HIS HD2 H 1 7.241 0.000 A 535 HIS HE1 H 1 8.544 0.000 A 535 HIS C C 13 172.641 0.000 A 535 HIS CA C 13 53.806 0.008 A 535 HIS CB C 13 27.013 0.000 A 535 HIS CD2 C 13 119.973 0.000 A 535 HIS CE1 C 13 137.182 0.000 A 535 HIS N N 15 121.292 0.101 A 536 PHE H H 1 7.173 0.001 A 536 PHE HA H 1 5.282 0.002 A 536 PHE HB2 H 1 2.108 0.003 A 536 PHE HB3 H 1 2.551 0.002 A 536 PHE HD1 H 1 6.555 0.000 A 536 PHE HD2 H 1 6.555 0.000 A 536 PHE HE1 H 1 7.528 0.000 A 536 PHE HE2 H 1 7.528 0.000 A 536 PHE C C 13 173.438 0.000 A 536 PHE CA C 13 55.736 0.048 A 536 PHE CB C 13 42.099 0.052 A 536 PHE CD1 C 13 131.712 0.000 A 536 PHE CE1 C 13 131.399 0.000 A 536 PHE N N 15 115.908 0.013 A 537 HIS H H 1 9.185 0.005 A 537 HIS HA H 1 4.667 0.000 A 537 HIS HB2 H 1 3.024 0.000 A 537 HIS HB3 H 1 3.024 0.000 A 537 HIS HD2 H 1 7.100 0.000 A 537 HIS HE1 H 1 8.366 0.000 A 537 HIS C C 13 172.182 0.000 A 537 HIS CA C 13 55.264 0.035 A 537 HIS CB C 13 32.118 0.073 A 537 HIS CD2 C 13 119.821 0.000 A 537 HIS CE1 C 13 136.476 0.000 A 537 HIS N N 15 117.767 0.048 A 538 ILE H H 1 8.649 0.008 A 538 ILE HA H 1 4.986 0.002 A 538 ILE HB H 1 1.947 0.002 A 538 ILE HD1% H 1 1.112 0.004 A 538 ILE HG12 H 1 1.313 0.005 A 538 ILE HG13 H 1 1.814 0.001 A 538 ILE HG2% H 1 1.213 0.003 A 538 ILE C C 13 176.686 0.000 A 538 ILE CA C 13 60.271 0.000 A 538 ILE CB C 13 39.400 0.000 A 538 ILE CD1 C 13 13.911 0.022 A 538 ILE CG1 C 13 28.320 0.016 A 538 ILE CG2 C 13 18.530 0.027 A 538 ILE N N 15 123.861 0.076 A 539 THR H H 1 9.118 0.002 A 539 THR HA H 1 4.726 0.000 A 539 THR C C 13 173.788 0.000 A 539 THR CA C 13 60.256 0.000 A 539 THR CB C 13 70.391 0.000 A 539 THR N N 15 119.438 0.025 A 540 ASN H H 1 8.569 0.002 A 540 ASN HA H 1 4.542 0.000 A 540 ASN C C 13 176.815 0.000 A 540 ASN CA C 13 56.202 0.000 A 540 ASN CB C 13 38.371 0.000 A 540 ASN N N 15 114.191 0.024 A 541 THR H H 1 7.913 0.004 A 541 THR HA H 1 4.688 0.002 A 541 THR HB H 1 4.385 0.002 A 541 THR HG2% H 1 1.163 0.001 A 541 THR C C 13 175.793 0.000 A 541 THR CA C 13 61.897 0.061 A 541 THR CB C 13 71.614 0.021 A 541 THR CG2 C 13 22.437 0.090 A 541 THR N N 15 102.711 0.037 A 542 THR H H 1 8.164 0.004 A 542 THR HA H 1 5.196 0.002 A 542 THR HB H 1 4.027 0.004 A 542 THR HG2% H 1 1.032 0.002 A 542 THR C C 13 170.174 0.000 A 542 THR CA C 13 61.241 0.133 A 542 THR CB C 13 72.559 0.157 A 542 THR CG2 C 13 22.279 0.041 A 542 THR N N 15 115.756 0.015 A 543 PHE H H 1 9.363 0.005 A 543 PHE HA H 1 4.754 0.008 A 543 PHE HB2 H 1 2.622 0.002 A 543 PHE HB3 H 1 3.218 0.001 A 543 PHE HD1 H 1 7.070 0.000 A 543 PHE HD2 H 1 7.070 0.000 A 543 PHE HE1 H 1 7.108 0.000 A 543 PHE HE2 H 1 7.108 0.000 A 543 PHE C C 13 173.268 0.000 A 543 PHE CA C 13 57.809 0.104 A 543 PHE CB C 13 41.077 0.037 A 543 PHE CD1 C 13 131.688 0.000 A 543 PHE CD2 C 13 131.688 0.000 A 543 PHE CE1 C 13 129.762 0.000 A 543 PHE CE2 C 13 129.762 0.000 A 543 PHE N N 15 122.724 0.020 A 544 ASP H H 1 8.751 0.005 A 544 ASP HA H 1 6.057 0.003 A 544 ASP HB2 H 1 2.450 0.005 A 544 ASP HB3 H 1 2.572 0.008 A 544 ASP C C 13 175.674 0.000 A 544 ASP CA C 13 52.913 0.027 A 544 ASP CB C 13 42.879 0.031 A 544 ASP N N 15 128.063 0.018 A 545 PHE H H 1 8.662 0.003 A 545 PHE HA H 1 4.925 0.004 A 545 PHE HB2 H 1 3.126 0.003 A 545 PHE HB3 H 1 3.323 0.002 A 545 PHE HD1 H 1 7.013 0.000 A 545 PHE HD2 H 1 7.013 0.000 A 545 PHE HE1 H 1 6.985 0.000 A 545 PHE HE2 H 1 6.985 0.000 A 545 PHE C C 13 171.897 0.000 A 545 PHE CA C 13 56.380 0.059 A 545 PHE CB C 13 41.371 0.031 A 545 PHE CD1 C 13 132.979 0.000 A 545 PHE CD2 C 13 132.979 0.000 A 545 PHE CE1 C 13 128.357 0.000 A 545 PHE CE2 C 13 128.357 0.000 A 545 PHE N N 15 114.137 0.029 A 546 ASP H H 1 9.219 0.002 A 546 ASP HA H 1 5.019 0.003 A 546 ASP HB2 H 1 2.480 0.002 A 546 ASP HB3 H 1 2.764 0.003 A 546 ASP C C 13 178.950 0.000 A 546 ASP CA C 13 52.045 0.025 A 546 ASP CB C 13 43.129 0.015 A 546 ASP N N 15 121.001 0.018 A 547 LEU H H 1 8.623 0.003 A 547 LEU HA H 1 4.104 0.005 A 547 LEU HB2 H 1 1.652 0.002 A 547 LEU HB3 H 1 1.982 0.004 A 547 LEU HD2% H 1 1.035 0.002 A 547 LEU HG H 1 1.091 0.003 A 547 LEU C C 13 178.679 0.000 A 547 LEU CA C 13 58.272 0.033 A 547 LEU CB C 13 43.101 0.007 A 547 LEU CD2 C 13 24.385 0.056 A 547 LEU CG C 13 26.560 0.000 A 547 LEU N N 15 126.156 0.041 A 548 CYS H H 1 8.820 0.004 A 548 CYS HA H 1 4.021 0.002 A 548 CYS HB2 H 1 2.954 0.008 A 548 CYS HB3 H 1 3.065 0.001 A 548 CYS C C 13 174.884 0.000 A 548 CYS CA C 13 61.823 0.135 A 548 CYS CB C 13 27.228 0.032 A 548 CYS N N 15 113.743 0.026 A 549 SER H H 1 7.720 0.005 A 549 SER HA H 1 4.456 0.000 A 549 SER C C 13 173.519 0.000 A 549 SER CA C 13 58.515 0.000 A 549 SER CB C 13 64.459 0.000 A 549 SER N N 15 113.613 0.015 A 550 LEU H H 1 6.779 0.005 A 550 LEU HA H 1 4.471 0.004 A 550 LEU HB2 H 1 1.433 0.005 A 550 LEU HB3 H 1 1.889 0.007 A 550 LEU HD1% H 1 0.967 0.002 A 550 LEU HD2% H 1 1.021 0.002 A 550 LEU HG H 1 2.210 0.004 A 550 LEU C C 13 176.903 0.000 A 550 LEU CA C 13 53.498 0.060 A 550 LEU CB C 13 43.619 0.062 A 550 LEU CD1 C 13 27.139 0.021 A 550 LEU CD2 C 13 21.977 0.056 A 550 LEU CG C 13 26.173 0.000 A 550 LEU N N 15 118.126 0.041 A 551 ASP H H 1 9.082 0.004 A 551 ASP HA H 1 4.665 0.003 A 551 ASP HB2 H 1 2.833 0.007 A 551 ASP HB3 H 1 3.018 0.003 A 551 ASP C C 13 176.382 0.000 A 551 ASP CA C 13 53.535 0.016 A 551 ASP CB C 13 42.051 0.000 A 551 ASP N N 15 121.893 0.018 A 552 LYS H H 1 8.601 0.002 A 552 LYS HA H 1 4.149 0.004 A 552 LYS HB2 H 1 1.743 0.002 A 552 LYS HB3 H 1 1.743 0.002 A 552 LYS HD2 H 1 1.427 0.008 A 552 LYS HD3 H 1 1.427 0.008 A 552 LYS HE2 H 1 2.326 0.004 A 552 LYS HE3 H 1 2.509 0.001 A 552 LYS HG2 H 1 1.316 0.004 A 552 LYS HG3 H 1 1.450 0.003 A 552 LYS C C 13 179.021 0.000 A 552 LYS CA C 13 60.233 0.000 A 552 LYS CB C 13 32.495 0.000 A 552 LYS CD C 13 29.410 0.000 A 552 LYS CE C 13 41.562 0.087 A 552 LYS CG C 13 25.614 0.026 A 552 LYS N N 15 121.414 0.023 A 553 THR H H 1 8.244 0.004 A 553 THR HA H 1 3.910 0.002 A 553 THR HB H 1 4.189 0.003 A 553 THR HG2% H 1 1.262 0.001 A 553 THR C C 13 177.036 0.000 A 553 THR CA C 13 66.065 0.019 A 553 THR CB C 13 68.436 0.129 A 553 THR CG2 C 13 22.212 0.002 A 553 THR N N 15 113.449 0.032 A 554 THR H H 1 7.862 0.005 A 554 THR HA H 1 3.828 0.006 A 554 THR HB H 1 4.314 0.007 A 554 THR HG2% H 1 1.169 0.002 A 554 THR C C 13 176.156 0.000 A 554 THR CA C 13 66.779 0.024 A 554 THR CB C 13 67.976 0.059 A 554 THR CG2 C 13 23.100 0.000 A 554 THR N N 15 120.799 0.023 A 555 VAL H H 1 7.970 0.141 A 555 VAL HA H 1 3.366 0.001 A 555 VAL HB H 1 2.300 0.002 A 555 VAL HG1% H 1 0.845 0.005 A 555 VAL HG2% H 1 1.062 0.004 A 555 VAL C C 13 177.296 0.000 A 555 VAL CA C 13 68.041 0.136 A 555 VAL CB C 13 31.715 0.018 A 555 VAL CG1 C 13 20.359 0.092 A 555 VAL CG2 C 13 24.340 0.068 A 555 VAL N N 15 122.618 0.015 A 556 ARG H H 1 8.342 0.003 A 556 ARG HA H 1 4.420 0.002 A 556 ARG HB2 H 1 1.925 0.004 A 556 ARG HB3 H 1 1.925 0.004 A 556 ARG HD2 H 1 3.171 0.004 A 556 ARG HD3 H 1 3.294 0.011 A 556 ARG HG2 H 1 1.798 0.003 A 556 ARG HG3 H 1 1.798 0.003 A 556 ARG C C 13 180.076 0.000 A 556 ARG CA C 13 58.628 0.123 A 556 ARG CB C 13 29.147 0.104 A 556 ARG CD C 13 43.014 0.021 A 556 ARG CG C 13 27.804 0.069 A 556 ARG N N 15 118.700 0.023 A 557 LYS H H 1 7.670 0.004 A 557 LYS HA H 1 3.913 0.002 A 557 LYS HB2 H 1 1.674 0.003 A 557 LYS HB3 H 1 1.914 0.002 A 557 LYS HD2 H 1 1.618 0.006 A 557 LYS HD3 H 1 1.618 0.006 A 557 LYS HE2 H 1 2.850 0.002 A 557 LYS HE3 H 1 2.915 0.002 A 557 LYS HG2 H 1 1.380 0.013 A 557 LYS HG3 H 1 1.380 0.013 A 557 LYS C C 13 178.774 0.000 A 557 LYS CA C 13 59.270 0.000 A 557 LYS CB C 13 32.075 0.037 A 557 LYS CD C 13 29.366 0.072 A 557 LYS CE C 13 42.125 0.000 A 557 LYS CG C 13 25.630 0.011 A 557 LYS N N 15 120.947 0.034 A 558 LEU H H 1 8.166 0.004 A 558 LEU HA H 1 3.704 0.002 A 558 LEU HB2 H 1 1.459 0.003 A 558 LEU HB3 H 1 2.186 0.003 A 558 LEU HD1% H 1 0.898 0.001 A 558 LEU HD2% H 1 0.938 0.004 A 558 LEU HG H 1 1.840 0.007 A 558 LEU C C 13 178.702 0.000 A 558 LEU CA C 13 58.682 0.000 A 558 LEU CB C 13 42.744 0.029 A 558 LEU CD2 C 13 25.700 0.040 A 558 LEU CG C 13 26.693 0.145 A 558 LEU N N 15 120.582 0.016 A 559 GLN H H 1 8.441 0.003 A 559 GLN HA H 1 3.869 0.005 A 559 GLN HB2 H 1 2.041 0.005 A 559 GLN HB3 H 1 2.388 0.005 A 559 GLN HG2 H 1 2.282 0.003 A 559 GLN HG3 H 1 2.575 0.003 A 559 GLN C C 13 179.502 0.000 A 559 GLN CA C 13 59.568 0.106 A 559 GLN CB C 13 28.527 0.084 A 559 GLN CG C 13 35.101 0.028 A 559 GLN N N 15 115.514 0.022 A 560 SER H H 1 7.883 0.002 A 560 SER HA H 1 4.310 0.004 A 560 SER HB2 H 1 3.984 0.000 A 560 SER HB3 H 1 3.984 0.000 A 560 SER C C 13 176.997 0.000 A 560 SER CA C 13 61.535 0.036 A 560 SER CB C 13 62.810 0.049 A 560 SER N N 15 115.703 0.014 A 561 TYR H H 1 7.856 0.004 A 561 TYR HA H 1 4.667 0.001 A 561 TYR HB2 H 1 3.089 0.006 A 561 TYR HB3 H 1 3.188 0.003 A 561 TYR HD1 H 1 6.911 0.000 A 561 TYR HD2 H 1 6.911 0.000 A 561 TYR HE1 H 1 6.650 0.000 A 561 TYR HE2 H 1 6.650 0.000 A 561 TYR C C 13 178.019 0.000 A 561 TYR CA C 13 57.854 0.000 A 561 TYR CB C 13 36.842 0.033 A 561 TYR CD1 C 13 131.175 0.000 A 561 TYR CD2 C 13 131.175 0.000 A 561 TYR CE1 C 13 117.998 0.000 A 561 TYR CE2 C 13 117.998 0.000 A 561 TYR N N 15 121.470 0.022 A 562 LEU H H 1 7.618 0.003 A 562 LEU HA H 1 4.233 0.005 A 562 LEU HB2 H 1 1.682 0.008 A 562 LEU HB3 H 1 1.832 0.003 A 562 LEU HD1% H 1 0.857 0.002 A 562 LEU HD2% H 1 0.838 0.008 A 562 LEU HG H 1 1.860 0.003 A 562 LEU C C 13 178.086 0.000 A 562 LEU CA C 13 55.989 0.000 A 562 LEU CB C 13 41.606 0.012 A 562 LEU CD1 C 13 25.902 0.023 A 562 LEU CD2 C 13 23.959 0.089 A 562 LEU CG C 13 27.540 0.000 A 562 LEU N N 15 117.382 0.014 A 563 GLU H H 1 7.724 0.006 A 563 GLU HA H 1 4.313 0.004 A 563 GLU HB2 H 1 2.147 0.004 A 563 GLU HB3 H 1 2.147 0.004 A 563 GLU HG2 H 1 2.341 0.002 A 563 GLU HG3 H 1 2.428 0.010 A 563 GLU C C 13 177.407 0.000 A 563 GLU CA C 13 57.577 0.032 A 563 GLU CB C 13 30.072 0.000 A 563 GLU CG C 13 36.020 0.000 A 563 GLU N N 15 119.602 0.020 A 564 THR H H 1 8.019 0.003 A 564 THR HA H 1 4.416 0.033 A 564 THR HB H 1 4.371 0.004 A 564 THR HG2% H 1 1.271 0.000 A 564 THR C C 13 174.998 0.000 A 564 THR CA C 13 62.021 0.118 A 564 THR CB C 13 69.690 0.000 A 564 THR N N 15 112.400 0.022 A 565 SER H H 1 8.136 0.004 A 565 SER HA H 1 4.463 0.003 A 565 SER HB2 H 1 3.920 0.003 A 565 SER HB3 H 1 3.920 0.003 A 565 SER C C 13 175.109 0.000 A 565 SER CA C 13 58.814 0.133 A 565 SER CB C 13 63.945 0.000 A 565 SER N N 15 117.680 0.021 A 566 GLY H H 1 8.510 0.002 A 566 GLY HA2 H 1 4.060 0.000 A 566 GLY HA3 H 1 4.060 0.000 A 566 GLY C C 13 174.384 0.000 A 566 GLY CA C 13 45.575 0.000 A 566 GLY N N 15 111.023 0.009 A 567 THR H H 1 8.061 0.003 A 567 THR HA H 1 4.405 0.056 A 567 THR HB H 1 4.295 0.002 A 567 THR HG2% H 1 1.191 0.000 A 567 THR C C 13 173.995 0.000 A 567 THR CA C 13 61.713 0.030 A 567 THR CB C 13 70.013 0.000 A 567 THR CG2 C 13 21.558 0.000 A 567 THR N N 15 113.077 0.018 A 568 SER H H 1 8.030 0.001 A 568 SER HA H 1 4.287 0.001 A 568 SER HB2 H 1 3.855 0.001 A 568 SER HB3 H 1 3.855 0.001 A 568 SER CA C 13 60.165 0.036 A 568 SER CB C 13 64.905 0.043 A 568 SER N N 15 123.642 0.010 B 876 THR C C 13 173.934 0.000 B 876 THR CA C 13 62.068 0.012 B 876 THR CB C 13 69.694 0.025 B 876 THR CG2 C 13 21.575 0.000 B 877 ASN H H 1 8.445 0.004 B 877 ASN HA H 1 4.681 0.002 B 877 ASN HB2 H 1 2.819 0.006 B 877 ASN HB3 H 1 2.666 0.001 B 877 ASN C C 13 173.789 0.000 B 877 ASN CA C 13 53.568 0.066 B 877 ASN CB C 13 39.603 0.101 B 877 ASN N N 15 121.618 0.059 B 878 LYS H H 1 8.003 0.002 B 878 LYS HA H 1 4.561 0.004 B 878 LYS HB2 H 1 1.627 0.014 B 878 LYS HB3 H 1 1.627 0.014 B 878 LYS HD2 H 1 1.558 0.010 B 878 LYS HD3 H 1 1.558 0.010 B 878 LYS HE2 H 1 2.879 0.006 B 878 LYS HE3 H 1 2.879 0.006 B 878 LYS HG2 H 1 1.274 0.005 B 878 LYS HG3 H 1 1.274 0.005 B 878 LYS C C 13 175.242 0.000 B 878 LYS CA C 13 56.388 0.084 B 878 LYS CB C 13 35.493 0.054 B 878 LYS CD C 13 29.168 0.038 B 878 LYS CE C 13 42.186 0.054 B 878 LYS CG C 13 24.374 0.040 B 878 LYS N N 15 120.707 0.017 B 879 LEU H H 1 9.201 0.004 B 879 LEU HA H 1 4.288 0.006 B 879 LEU HB2 H 1 1.609 0.004 B 879 LEU HB3 H 1 0.909 0.004 B 879 LEU HD1% H 1 0.643 0.005 B 879 LEU HD2% H 1 0.462 0.056 B 879 LEU HG H 1 1.186 0.002 B 879 LEU CA C 13 51.660 0.119 B 879 LEU CB C 13 44.539 0.051 B 879 LEU CD1 C 13 27.922 0.129 B 879 LEU CD2 C 13 22.696 0.070 B 879 LEU CG C 13 26.117 0.044 B 879 LEU N N 15 125.553 0.014 B 880 PRO HA H 1 4.738 0.001 B 880 PRO HB2 H 1 2.093 0.003 B 880 PRO HB3 H 1 1.972 0.004 B 880 PRO HD2 H 1 3.582 0.003 B 880 PRO HD3 H 1 3.218 0.004 B 880 PRO HG2 H 1 2.191 0.003 B 880 PRO HG3 H 1 1.867 0.005 B 880 PRO C C 13 176.969 0.000 B 880 PRO CA C 13 63.001 0.105 B 880 PRO CB C 13 32.763 0.061 B 880 PRO CD C 13 50.600 0.048 B 880 PRO CG C 13 26.912 0.056 B 881 VAL H H 1 9.132 0.002 B 881 VAL HA H 1 4.045 0.002 B 881 VAL HB H 1 0.428 0.005 B 881 VAL HG1% H 1 0.640 0.001 B 881 VAL HG2% H 1 0.684 0.002 B 881 VAL C C 13 174.130 0.000 B 881 VAL CA C 13 61.329 0.116 B 881 VAL CB C 13 33.701 0.045 B 881 VAL CG1 C 13 22.029 0.000 B 881 VAL CG2 C 13 22.094 0.086 B 881 VAL N N 15 125.984 0.016 B 882 SER H H 1 8.054 0.004 B 882 SER HA H 1 5.419 0.002 B 882 SER HB2 H 1 3.589 0.005 B 882 SER HB3 H 1 3.481 0.002 B 882 SER C C 13 173.837 0.000 B 882 SER CA C 13 56.895 0.092 B 882 SER CB C 13 65.538 0.029 B 882 SER N N 15 121.443 0.025 B 883 ILE H H 1 9.650 0.002 B 883 ILE HA H 1 4.694 0.001 B 883 ILE HB H 1 2.105 0.003 B 883 ILE HD1% H 1 0.972 0.002 B 883 ILE HG12 H 1 1.757 0.003 B 883 ILE HG13 H 1 1.404 0.002 B 883 ILE HG2% H 1 0.850 0.002 B 883 ILE CA C 13 57.639 0.000 B 883 ILE CB C 13 41.457 0.000 B 883 ILE CD1 C 13 13.430 0.000 B 883 ILE CG1 C 13 27.631 0.000 B 883 ILE CG2 C 13 15.981 0.000 B 883 ILE N N 15 128.603 0.015 B 884 PRO HA H 1 4.531 0.003 B 884 PRO HB2 H 1 2.456 0.004 B 884 PRO HB3 H 1 2.034 0.009 B 884 PRO HD2 H 1 4.026 0.002 B 884 PRO HD3 H 1 3.605 0.001 B 884 PRO HG2 H 1 2.195 0.001 B 884 PRO HG3 H 1 2.014 0.008 B 884 PRO C C 13 177.927 0.000 B 884 PRO CA C 13 63.341 0.095 B 884 PRO CB C 13 31.881 0.106 B 884 PRO CD C 13 51.735 0.038 B 884 PRO CG C 13 27.953 0.119 B 885 LEU H H 1 8.550 0.003 B 885 LEU HA H 1 3.952 0.002 B 885 LEU HB2 H 1 1.481 0.004 B 885 LEU HB3 H 1 1.481 0.004 B 885 LEU HD1% H 1 0.810 0.001 B 885 LEU HD2% H 1 0.868 0.002 B 885 LEU HG H 1 1.229 0.002 B 885 LEU C C 13 178.565 0.000 B 885 LEU CA C 13 56.773 0.054 B 885 LEU CB C 13 41.024 0.015 B 885 LEU CD1 C 13 25.431 0.049 B 885 LEU CD2 C 13 22.916 0.066 B 885 LEU CG C 13 26.756 0.028 B 885 LEU N N 15 125.904 0.026 B 886 ALA H H 1 8.247 0.003 B 886 ALA HA H 1 4.203 0.003 B 886 ALA HB% H 1 1.414 0.001 B 886 ALA C C 13 178.999 0.000 B 886 ALA CA C 13 53.696 0.094 B 886 ALA CB C 13 18.514 0.059 B 886 ALA N N 15 116.856 0.019 B 887 SER H H 1 7.650 0.003 B 887 SER HA H 1 4.401 0.002 B 887 SER HB2 H 1 3.355 0.000 B 887 SER HB3 H 1 3.221 0.000 B 887 SER C C 13 172.720 0.000 B 887 SER CA C 13 59.684 0.055 B 887 SER CB C 13 65.286 0.011 B 887 SER N N 15 111.099 0.021 B 888 VAL H H 1 7.312 0.004 B 888 VAL HA H 1 4.607 0.003 B 888 VAL HB H 1 1.791 0.002 B 888 VAL HG1% H 1 0.473 0.002 B 888 VAL HG2% H 1 0.571 0.001 B 888 VAL C C 13 173.627 0.000 B 888 VAL CA C 13 59.465 0.174 B 888 VAL CB C 13 36.582 0.063 B 888 VAL CG1 C 13 21.785 0.093 B 888 VAL CG2 C 13 16.364 0.083 B 888 VAL N N 15 109.928 0.038 B 889 VAL H H 1 9.255 0.005 B 889 VAL HA H 1 4.230 0.000 B 889 VAL HB H 1 1.788 0.002 B 889 VAL HG1% H 1 0.789 0.003 B 889 VAL HG2% H 1 0.793 0.000 B 889 VAL C C 13 176.777 0.000 B 889 VAL CA C 13 60.957 0.049 B 889 VAL CB C 13 33.370 0.046 B 889 VAL CG1 C 13 20.772 0.067 B 889 VAL CG2 C 13 20.461 0.000 B 889 VAL N N 15 119.666 0.028 B 890 LEU H H 1 8.829 0.003 B 890 LEU HA H 1 4.335 0.002 B 890 LEU HB2 H 1 1.570 0.002 B 890 LEU HB3 H 1 1.420 0.004 B 890 LEU HD2% H 1 0.694 0.003 B 890 LEU HG H 1 0.904 0.003 B 890 LEU CA C 13 52.488 0.037 B 890 LEU CB C 13 41.512 0.000 B 890 LEU CD2 C 13 23.459 0.076 B 890 LEU CG C 13 25.896 0.000 B 890 LEU N N 15 128.822 0.009 B 891 PRO HA H 1 4.342 0.003 B 891 PRO HB2 H 1 2.243 0.001 B 891 PRO HB3 H 1 1.716 0.008 B 891 PRO HD2 H 1 3.672 0.005 B 891 PRO HD3 H 1 3.258 0.006 B 891 PRO HG2 H 1 1.923 0.003 B 891 PRO HG3 H 1 1.815 0.005 B 891 PRO C C 13 176.928 0.000 B 891 PRO CA C 13 62.992 0.110 B 891 PRO CB C 13 32.179 0.123 B 891 PRO CD C 13 50.326 0.051 B 891 PRO CG C 13 27.321 0.002 B 892 SER H H 1 8.509 0.006 B 892 SER HA H 1 4.326 0.007 B 892 SER HB2 H 1 3.858 0.003 B 892 SER HB3 H 1 3.711 0.001 B 892 SER C C 13 175.357 0.000 B 892 SER CA C 13 59.127 0.055 B 892 SER CB C 13 63.412 0.027 B 892 SER N N 15 117.423 0.037 B 893 ARG H H 1 8.493 0.003 B 893 ARG HA H 1 4.285 0.004 B 893 ARG HB2 H 1 1.870 0.002 B 893 ARG HB3 H 1 1.790 0.004 B 893 ARG HD2 H 1 3.203 0.003 B 893 ARG HD3 H 1 3.203 0.003 B 893 ARG HG2 H 1 1.656 0.007 B 893 ARG HG3 H 1 1.656 0.007 B 893 ARG C C 13 176.576 0.000 B 893 ARG CA C 13 56.778 0.050 B 893 ARG CB C 13 30.521 0.041 B 893 ARG CD C 13 43.425 0.042 B 893 ARG CG C 13 26.897 0.118 B 893 ARG N N 15 122.328 0.043 B 894 ALA H H 1 8.093 0.011 B 894 ALA HA H 1 4.338 0.002 B 894 ALA HB% H 1 1.410 0.005 B 894 ALA C C 13 177.907 0.000 B 894 ALA CA C 13 52.928 0.136 B 894 ALA CB C 13 19.146 0.050 B 894 ALA N N 15 123.798 0.062 B 895 GLU H H 1 8.190 0.009 B 895 GLU HA H 1 4.194 0.003 B 895 GLU HB2 H 1 1.990 0.017 B 895 GLU HB3 H 1 1.990 0.017 B 895 GLU HG2 H 1 2.258 0.001 B 895 GLU HG3 H 1 2.258 0.001 B 895 GLU C C 13 176.962 0.000 B 895 GLU CA C 13 57.107 0.012 B 895 GLU CB C 13 30.114 0.004 B 895 GLU CG C 13 36.033 0.041 B 895 GLU N N 15 119.271 0.054 B 896 ARG H H 1 8.157 0.006 B 896 ARG HA H 1 4.292 0.006 B 896 ARG HB2 H 1 1.873 0.003 B 896 ARG HB3 H 1 1.785 0.008 B 896 ARG HD2 H 1 3.201 0.006 B 896 ARG HD3 H 1 3.201 0.006 B 896 ARG HG2 H 1 1.652 0.006 B 896 ARG HG3 H 1 1.652 0.006 B 896 ARG C C 13 176.239 0.000 B 896 ARG CA C 13 56.479 0.205 B 896 ARG CB C 13 30.641 0.090 B 896 ARG CD C 13 43.347 0.000 B 896 ARG CG C 13 26.990 0.136 B 896 ARG N N 15 120.960 0.029 B 897 ALA H H 1 8.167 0.007 B 897 ALA HA H 1 4.303 0.004 B 897 ALA HB% H 1 1.397 0.008 B 897 ALA C C 13 177.700 0.000 B 897 ALA CA C 13 52.333 0.308 B 897 ALA CB C 13 19.132 0.056 B 897 ALA N N 15 124.386 0.045 B 898 ARG H H 1 8.188 0.004 B 898 ARG HA H 1 4.374 0.003 B 898 ARG HB2 H 1 1.886 0.004 B 898 ARG HB3 H 1 1.790 0.005 B 898 ARG HD2 H 1 3.198 0.000 B 898 ARG HD3 H 1 3.198 0.000 B 898 ARG HG2 H 1 1.661 0.006 B 898 ARG HG3 H 1 1.661 0.006 B 898 ARG C C 13 176.341 0.000 B 898 ARG CA C 13 56.229 0.073 B 898 ARG CB C 13 31.058 0.027 B 898 ARG CD C 13 43.442 0.040 B 898 ARG CG C 13 27.181 0.139 B 898 ARG N N 15 120.178 0.089 B 899 SER H H 1 8.383 0.003 B 899 SER HA H 1 4.539 0.003 B 899 SER HB2 H 1 3.897 0.001 B 899 SER HB3 H 1 3.897 0.001 B 899 SER C C 13 173.882 0.000 B 899 SER CA C 13 58.347 0.026 B 899 SER CB C 13 63.988 0.035 B 899 SER N N 15 117.603 0.025 B 900 THR H H 1 7.818 0.002 B 900 THR HA H 1 4.189 0.036 B 900 THR HB H 1 4.222 0.038 B 900 THR HG2% H 1 1.156 0.001 B 900 THR CA C 13 63.327 0.102 B 900 THR CB C 13 70.782 0.048 B 900 THR N N 15 120.688 0.013 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 534 GLY H A 535 HIS H 1.0 1.8 4.2 2 2 A 535 HIS H A 536 PHE HD% 1.0 1.8 5.5 3 3 A 535 HIS H A 535 HIS HB2 1.0 1.8 3.3 4 3 A 535 HIS H A 535 HIS HB3 1.0 1.8 3.3 5 4 A 535 HIS H A 530 ILE HD1% 1.0 1.8 5.5 6 5 A 535 HIS H A 535 HIS HA 1.0 1.8 4.2 7 6 A 535 HIS H A 534 GLY HA2 1.0 1.8 4.2 8 6 A 535 HIS H A 534 GLY HA3 1.0 1.8 4.2 9 7 B 879 LEU H B 878 LYS H 1.0 1.8 4.2 10 8 B 878 LYS H B 877 ASN HA 1.0 1.8 2.8 11 9 B 878 LYS H B 877 ASN HB2 1.0 1.8 4.2 12 9 B 878 LYS H B 877 ASN HB3 1.0 1.8 4.2 13 10 B 878 LYS H B 878 LYS HB2 1.0 1.8 3.3 14 10 B 878 LYS H B 878 LYS HB3 1.0 1.8 3.3 15 11 B 878 LYS H B 878 LYS HG2 1.0 1.8 4.2 16 11 B 878 LYS H B 878 LYS HG3 1.0 1.8 4.2 17 12 B 879 LEU H A 548 CYS H 1.0 1.8 4.2 18 13 B 879 LEU H A 547 LEU H 1.0 1.8 5.5 19 14 B 879 LEU H B 878 LYS H 1.0 1.8 5.5 20 15 B 879 LEU H A 546 ASP HA 1.0 1.8 5.5 21 16 B 879 LEU H B 880 PRO HA 1.0 1.8 4.2 22 17 B 879 LEU H B 878 LYS HA 1.0 1.8 3.3 23 18 B 879 LEU H B 879 LEU HA 1.0 1.8 4.2 24 19 B 879 LEU H B 880 PRO HD2 1.0 1.8 5.5 25 19 B 879 LEU H B 880 PRO HD3 1.0 1.8 5.5 26 20 B 879 LEU H B 880 PRO HD2 1.0 1.8 4.2 27 20 B 879 LEU H B 880 PRO HD3 1.0 1.8 4.2 28 21 B 879 LEU H B 879 LEU HB2 1.0 1.8 5.5 29 21 B 879 LEU H B 879 LEU HB3 1.0 1.8 5.5 30 22 B 879 LEU H B 879 LEU HD2% 1.0 1.8 5.5 31 23 B 879 LEU H B 879 LEU HD1% 1.0 1.8 5.5 32 24 A 545 PHE H B 881 VAL H 1.0 1.8 4.2 33 25 A 546 ASP HA B 881 VAL H 1.0 1.8 4.2 34 26 B 880 PRO HA B 881 VAL H 1.0 1.8 3.3 35 27 B 881 VAL H B 881 VAL HA 1.0 1.8 4.2 36 28 B 881 VAL H B 881 VAL HB 1.0 1.8 3.3 37 29 B 882 SER HA B 882 SER H 1.0 1.8 4.2 38 30 B 881 VAL HA B 882 SER H 1.0 1.8 2.8 39 31 B 882 SER H B 881 VAL HG1% 1.0 1.8 3.3 40 32 B 882 SER H B 882 SER HB2 1.0 1.8 4.2 41 32 B 882 SER H B 882 SER HB3 1.0 1.8 4.2 42 33 A 544 ASP HA B 883 ILE H 1.0 1.8 5.5 43 34 B 882 SER HA B 883 ILE H 1.0 1.8 3.3 44 35 B 883 ILE H A 543 PHE HB2 1.0 1.8 5.5 45 35 B 883 ILE H A 543 PHE HB3 1.0 1.8 5.5 46 36 B 883 ILE H B 883 ILE HB 1.0 1.8 3.3 47 37 B 883 ILE H B 883 ILE HG12 1.0 1.8 4.2 48 37 B 883 ILE H B 883 ILE HG13 1.0 1.8 4.2 49 38 B 883 ILE H B 883 ILE HG12 1.0 1.8 5.5 50 38 B 883 ILE H B 883 ILE HG13 1.0 1.8 5.5 51 39 B 883 ILE H B 883 ILE HG2% 1.0 1.8 4.2 52 40 B 881 VAL HG1% B 883 ILE H 1.0 1.8 5.5 53 41 B 885 LEU H B 885 LEU HB2 1.0 1.8 3.3 54 41 B 885 LEU HB3 B 885 LEU H 1.0 1.8 3.3 55 42 B 885 LEU H A 542 THR HG2% 1.0 1.8 4.2 56 43 B 885 LEU H B 886 ALA H 1.0 1.8 3.3 57 44 B 886 ALA H B 887 SER H 1.0 1.8 3.3 58 45 B 886 ALA H B 884 PRO HA 1.0 1.8 4.2 59 46 B 886 ALA H B 886 ALA HA 1.0 1.8 3.3 60 47 B 886 ALA H B 884 PRO HB2 1.0 1.8 4.2 61 47 B 886 ALA H B 884 PRO HB3 1.0 1.8 4.2 62 48 B 886 ALA H B 886 ALA HB% 1.0 1.8 2.8 63 49 B 886 ALA H B 887 SER H 1.0 1.8 4.2 64 50 B 887 SER H B 888 VAL H 1.0 1.8 3.3 65 51 B 887 SER H B 887 SER HA 1.0 1.8 4.2 66 52 B 887 SER H B 886 ALA HA 1.0 1.8 4.2 67 53 B 887 SER H B 884 PRO HB2 1.0 1.8 4.2 68 53 B 887 SER H B 884 PRO HB3 1.0 1.8 4.2 69 54 B 887 SER H B 886 ALA HB% 1.0 1.8 4.2 70 55 B 887 SER H B 888 VAL HG2% 1.0 1.8 4.2 71 56 B 887 SER H B 888 VAL H 1.0 1.8 3.3 72 57 B 888 VAL H B 888 VAL HA 1.0 1.8 4.2 73 58 B 888 VAL H B 887 SER HA 1.0 1.8 4.2 74 59 B 888 VAL H B 885 LEU HA 1.0 1.8 4.2 75 60 B 888 VAL H B 888 VAL HB 1.0 1.8 4.2 76 61 B 888 VAL H B 888 VAL HG2% 1.0 1.8 3.3 77 62 B 888 VAL HA B 889 VAL H 1.0 1.8 3.3 78 63 B 889 VAL H B 889 VAL HA 1.0 1.8 4.2 79 64 B 889 VAL H B 888 VAL HG1% 1.0 1.8 4.2 80 65 B 890 LEU H B 890 LEU HB2 1.0 1.8 3.3 81 65 B 890 LEU HB3 B 890 LEU H 1.0 1.8 3.3 82 66 B 889 VAL HA B 890 LEU H 1.0 1.8 3.3 83 67 B 892 SER H B 892 SER HB2 1.0 1.8 4.2 84 67 B 892 SER HB3 B 892 SER H 1.0 1.8 4.2 85 68 B 894 ALA H B 893 ARG H 1.0 1.8 4.2 86 69 B 893 ARG H B 892 SER HB2 1.0 1.8 4.2 87 69 B 892 SER HB3 B 893 ARG H 1.0 1.8 4.2 88 70 B 893 ARG H B 893 ARG HB2 1.0 1.8 4.2 89 70 B 893 ARG H B 893 ARG HB3 1.0 1.8 4.2 90 71 B 893 ARG H B 893 ARG HG2 1.0 1.8 4.2 91 71 B 893 ARG H B 893 ARG HG3 1.0 1.8 4.2 92 72 B 894 ALA H B 893 ARG H 1.0 1.8 4.2 93 73 B 894 ALA H B 894 ALA HB% 1.0 1.8 3.3 94 74 B 895 GLU H B 895 GLU HB2 1.0 1.8 4.2 95 74 B 895 GLU HB3 B 895 GLU H 1.0 1.8 4.2 96 75 B 894 ALA HB% B 895 GLU H 1.0 1.8 4.2 97 76 B 895 GLU H B 895 GLU HG2 1.0 1.8 4.2 98 76 B 895 GLU H B 895 GLU HG3 1.0 1.8 4.2 99 77 A 557 LYS H A 558 LEU H 1.0 1.8 3.3 100 78 A 558 LEU H A 558 LEU HA 1.0 1.8 4.2 101 79 A 558 LEU H A 558 LEU HB2 1.0 1.8 3.3 102 79 A 558 LEU H A 558 LEU HB3 1.0 1.8 3.3 103 80 A 567 THR HA A 568 SER H 1.0 1.8 4.2 104 81 B 897 ALA HB% B 897 ALA H 1.0 1.8 4.2 105 82 B 895 GLU H B 894 ALA HA 1.0 1.8 4.2 106 83 B 895 GLU H B 895 GLU HA 1.0 1.8 4.2 107 84 A 561 TYR H A 561 TYR HB2 1.0 1.8 3.3 108 84 A 561 TYR HB3 A 561 TYR H 1.0 1.8 3.3 109 85 A 503 TYR H A 503 TYR HB2 1.0 1.8 3.3 110 85 A 503 TYR HB3 A 503 TYR H 1.0 1.8 3.3 111 86 A 502 ALA H A 501 LYS H 1.0 1.8 4.2 112 87 A 501 LYS H A 501 LYS HA 1.0 1.8 4.2 113 88 A 501 LYS H A 501 LYS HB2 1.0 1.8 2.8 114 88 A 501 LYS H A 501 LYS HB3 1.0 1.8 2.8 115 89 A 502 ALA H A 502 ALA HB% 1.0 1.8 2.8 116 90 A 502 ALA H A 501 LYS HB2 1.0 1.8 3.3 117 90 A 502 ALA H A 501 LYS HB3 1.0 1.8 3.3 118 91 A 502 ALA H A 501 LYS HA 1.0 1.8 4.2 119 92 A 502 ALA H A 502 ALA HA 1.0 1.8 3.3 120 93 A 503 TYR H A 502 ALA H 1.0 1.8 3.3 121 94 A 502 ALA H A 501 LYS H 1.0 1.8 3.3 122 95 A 503 TYR H A 502 ALA H 1.0 1.8 3.3 123 96 A 503 TYR H A 502 ALA HA 1.0 1.8 4.2 124 97 A 503 TYR H A 502 ALA HB% 1.0 1.8 3.3 125 98 A 503 TYR H A 504 LEU H 1.0 1.8 3.3 126 99 A 504 LEU H A 503 TYR HB2 1.0 1.8 4.2 127 99 A 503 TYR HB3 A 504 LEU H 1.0 1.8 4.2 128 100 A 504 LEU H A 504 LEU HB2 1.0 1.8 3.3 129 100 A 504 LEU H A 504 LEU HB3 1.0 1.8 3.3 130 101 A 505 ASP HA A 505 ASP H 1.0 1.8 3.3 131 102 A 505 ASP H A 506 GLU H 1.0 1.8 3.3 132 103 A 505 ASP H A 505 ASP HB2 1.0 1.8 3.3 133 103 A 505 ASP H A 505 ASP HB3 1.0 1.8 3.3 134 104 A 505 ASP H A 505 ASP HB2 1.0 1.8 4.2 135 104 A 505 ASP H A 505 ASP HB3 1.0 1.8 4.2 136 105 A 505 ASP H A 504 LEU HB2 1.0 1.8 3.3 137 105 A 504 LEU HB3 A 505 ASP H 1.0 1.8 3.3 138 106 A 505 ASP H A 504 LEU HB2 1.0 1.8 4.2 139 106 A 504 LEU HB3 A 505 ASP H 1.0 1.8 4.2 140 107 A 506 GLU H A 505 ASP HB2 1.0 1.8 4.2 141 107 A 506 GLU H A 505 ASP HB3 1.0 1.8 4.2 142 108 A 506 GLU H A 506 GLU HG2 1.0 1.8 4.2 143 108 A 506 GLU H A 506 GLU HG3 1.0 1.8 4.2 144 109 A 506 GLU H A 506 GLU HB2 1.0 1.8 3.3 145 109 A 506 GLU H A 506 GLU HB3 1.0 1.8 3.3 146 110 A 506 GLU H A 507 LEU H 1.0 1.8 3.3 147 111 A 507 LEU H A 506 GLU HA 1.0 1.8 4.2 148 112 A 507 LEU H A 507 LEU HA 1.0 1.8 3.3 149 113 A 507 LEU H A 506 GLU HB2 1.0 1.8 4.2 150 113 A 506 GLU HB3 A 507 LEU H 1.0 1.8 4.2 151 114 A 507 LEU H A 506 GLU HB2 1.0 1.8 4.2 152 114 A 506 GLU HB3 A 507 LEU H 1.0 1.8 4.2 153 115 A 507 LEU H A 507 LEU HB2 1.0 1.8 3.3 154 115 A 507 LEU H A 507 LEU HB3 1.0 1.8 3.3 155 116 A 507 LEU H A 507 LEU HG 1.0 1.8 3.3 156 117 A 507 LEU H A 507 LEU HD2% 1.0 1.8 4.2 157 118 A 507 LEU H A 508 VAL H 1.0 1.8 4.2 158 119 A 508 VAL H A 509 GLU H 1.0 1.8 3.3 159 120 A 505 ASP HA A 508 VAL H 1.0 1.8 4.2 160 121 A 507 LEU HA A 508 VAL H 1.0 1.8 4.2 161 122 A 508 VAL H A 508 VAL HA 1.0 1.8 4.2 162 123 A 508 VAL H A 508 VAL HB 1.0 1.8 3.3 163 124 A 508 VAL H A 507 LEU HB2 1.0 1.8 4.2 164 124 A 507 LEU HB3 A 508 VAL H 1.0 1.8 4.2 165 125 A 508 VAL H A 508 VAL HG2% 1.0 1.8 3.3 166 126 B 879 LEU HD1% A 508 VAL H 1.0 1.8 4.2 167 127 A 508 VAL H A 509 GLU H 1.0 1.8 3.3 168 128 A 509 GLU H A 510 LEU H 1.0 1.8 3.3 169 129 A 509 GLU H A 509 GLU HA 1.0 1.8 3.3 170 130 A 509 GLU H A 508 VAL HG1% 1.0 1.8 4.2 171 131 A 510 LEU H A 511 HIS H 1.0 1.8 3.3 172 132 A 509 GLU H A 510 LEU H 1.0 1.8 3.3 173 133 A 510 LEU H A 510 LEU HB2 1.0 1.8 3.3 174 133 A 510 LEU H A 510 LEU HB3 1.0 1.8 3.3 175 134 A 510 LEU H A 511 HIS H 1.0 1.8 3.3 176 135 A 511 HIS H A 511 HIS HA 1.0 1.8 4.2 177 136 A 511 HIS H A 511 HIS HB2 1.0 1.8 3.3 178 136 A 511 HIS H A 511 HIS HB3 1.0 1.8 3.3 179 137 A 511 HIS H A 511 HIS HB2 1.0 1.8 3.3 180 137 A 511 HIS H A 511 HIS HB3 1.0 1.8 3.3 181 138 A 511 HIS H A 510 LEU HB2 1.0 1.8 3.3 182 138 A 511 HIS H A 510 LEU HB3 1.0 1.8 3.3 183 139 A 511 HIS H A 510 LEU HB2 1.0 1.8 4.2 184 139 A 511 HIS H A 510 LEU HB3 1.0 1.8 4.2 185 140 A 511 HIS H A 547 LEU HG 1.0 1.8 4.2 186 141 A 511 HIS H A 512 ARG H 1.0 1.8 4.2 187 142 A 512 ARG H A 512 ARG HA 1.0 1.8 4.2 188 143 A 512 ARG H A 511 HIS HB2 1.0 1.8 3.3 189 143 A 511 HIS HB3 A 512 ARG H 1.0 1.8 3.3 190 144 A 512 ARG H A 511 HIS HB2 1.0 1.8 4.2 191 144 A 511 HIS HB3 A 512 ARG H 1.0 1.8 4.2 192 145 A 512 ARG H A 512 ARG HB2 1.0 1.8 2.8 193 145 A 512 ARG H A 512 ARG HB3 1.0 1.8 2.8 194 146 A 513 ARG H A 513 ARG HB2 1.0 1.8 2.8 195 146 A 513 ARG HB3 A 513 ARG H 1.0 1.8 2.8 196 147 A 513 ARG H A 514 LEU H 1.0 1.8 3.3 197 148 A 513 ARG H A 513 ARG HA 1.0 1.8 4.2 198 149 A 514 LEU H A 514 LEU HB2 1.0 1.8 4.2 199 149 A 514 LEU H A 514 LEU HB3 1.0 1.8 4.2 200 150 A 514 LEU H A 515 MET H 1.0 1.8 3.3 201 151 A 515 MET H A 516 THR H 1.0 1.8 3.3 202 152 A 515 MET H A 515 MET HA 1.0 1.8 3.3 203 153 A 512 ARG HA A 515 MET H 1.0 1.8 4.2 204 154 A 515 MET H A 514 LEU HB2 1.0 1.8 4.2 205 154 A 514 LEU HB3 A 515 MET H 1.0 1.8 4.2 206 155 A 516 THR H A 516 THR HG2% 1.0 1.8 3.3 207 156 A 516 THR H A 517 LEU H 1.0 1.8 2.8 208 157 A 516 THR H A 514 LEU HA 1.0 1.8 4.2 209 158 A 516 THR H A 517 LEU H 1.0 1.8 2.8 210 159 A 517 LEU H A 514 LEU HA 1.0 1.8 4.2 211 160 A 517 LEU H A 517 LEU HB2 1.0 1.8 2.8 212 160 A 517 LEU H A 517 LEU HB3 1.0 1.8 2.8 213 161 A 517 LEU H A 516 THR HA 1.0 1.8 4.2 214 162 A 517 LEU H A 517 LEU HD2% 1.0 1.8 4.2 215 163 A 517 LEU H A 517 LEU HD1% 1.0 1.8 4.2 216 164 A 516 THR HG2% A 517 LEU H 1.0 1.8 5.5 217 165 A 519 GLU H A 518 ARG H 1.0 1.8 3.3 218 166 A 518 ARG H A 517 LEU HA 1.0 1.8 3.3 219 167 A 517 LEU HD1% A 518 ARG H 1.0 1.8 4.2 220 168 A 519 GLU H A 518 ARG H 1.0 1.8 3.3 221 169 A 519 GLU H A 518 ARG HA 1.0 1.8 4.2 222 170 A 519 GLU H A 519 GLU HG2 1.0 1.8 4.2 223 170 A 519 GLU H A 519 GLU HG3 1.0 1.8 4.2 224 171 A 519 GLU H A 519 GLU HB2 1.0 1.8 3.3 225 171 A 519 GLU H A 519 GLU HB3 1.0 1.8 3.3 226 172 A 517 LEU HD2% A 519 GLU H 1.0 1.8 4.2 227 173 A 517 LEU HD1% A 519 GLU H 1.0 1.8 4.2 228 174 A 519 GLU H A 520 ARG H 1.0 1.8 5.5 229 175 A 520 ARG H A 519 GLU HA 1.0 1.8 2.8 230 176 A 520 ARG H A 520 ARG HA 1.0 1.8 4.2 231 177 A 520 ARG H A 520 ARG HD2 1.0 1.8 5.5 232 177 A 520 ARG H A 520 ARG HD3 1.0 1.8 5.5 233 178 A 520 ARG H A 519 GLU HG2 1.0 1.8 4.2 234 178 A 519 GLU HG3 A 520 ARG H 1.0 1.8 4.2 235 179 A 520 ARG H A 520 ARG HB2 1.0 1.8 3.3 236 179 A 520 ARG H A 520 ARG HB3 1.0 1.8 3.3 237 180 A 523 LEU H A 522 ILE H 1.0 1.8 3.3 238 181 A 522 ILE H A 522 ILE HB 1.0 1.8 3.3 239 182 A 522 ILE H A 522 ILE HG12 1.0 1.8 4.2 240 182 A 522 ILE H A 522 ILE HG13 1.0 1.8 4.2 241 183 A 522 ILE H A 522 ILE HA 1.0 1.8 4.2 242 184 A 523 LEU H A 522 ILE H 1.0 1.8 3.3 243 185 A 523 LEU H A 523 LEU HB2 1.0 1.8 4.2 244 185 A 523 LEU H A 523 LEU HB3 1.0 1.8 4.2 245 186 A 524 GLN HA A 524 GLN H 1.0 1.8 4.2 246 187 A 524 GLN H A 524 GLN HB2 1.0 1.8 3.3 247 187 A 524 GLN H A 524 GLN HB3 1.0 1.8 3.3 248 188 A 524 GLN H A 523 LEU HB2 1.0 1.8 4.2 249 188 A 523 LEU HB3 A 524 GLN H 1.0 1.8 4.2 250 189 A 523 LEU H A 524 GLN H 1.0 1.8 3.3 251 190 A 526 ILE H A 525 GLN H 1.0 1.8 3.3 252 191 A 524 GLN H A 525 GLN H 1.0 1.8 4.2 253 192 A 525 GLN H A 525 GLN HA 1.0 1.8 4.2 254 193 A 524 GLN HA A 525 GLN H 1.0 1.8 5.5 255 194 A 525 GLN H A 525 GLN HB2 1.0 1.8 3.3 256 194 A 525 GLN H A 525 GLN HB3 1.0 1.8 3.3 257 195 A 525 GLN H A 525 GLN HB2 1.0 1.8 4.2 258 195 A 525 GLN H A 525 GLN HB3 1.0 1.8 4.2 259 196 A 526 ILE H A 525 GLN H 1.0 1.8 3.3 260 197 A 526 ILE H A 526 ILE HG12 1.0 1.8 3.3 261 197 A 526 ILE H A 526 ILE HG13 1.0 1.8 3.3 262 198 A 527 VAL HA A 527 VAL H 1.0 1.8 4.2 263 199 A 527 VAL H A 527 VAL HB 1.0 1.8 3.3 264 200 A 527 VAL H A 527 VAL HG2% 1.0 1.8 3.3 265 201 A 527 VAL H A 527 VAL HG1% 1.0 1.8 4.2 266 202 A 529 LEU H A 528 ASN H 1.0 1.8 4.2 267 203 A 528 ASN H A 528 ASN HA 1.0 1.8 4.2 268 204 A 527 VAL HB A 528 ASN H 1.0 1.8 4.2 269 205 A 527 VAL HG2% A 528 ASN H 1.0 1.8 4.2 270 206 A 527 VAL HG1% A 528 ASN H 1.0 1.8 4.2 271 207 A 557 LYS H A 557 LYS HG2 1.0 1.8 3.3 272 207 A 557 LYS H A 557 LYS HG3 1.0 1.8 3.3 273 208 A 531 GLU H A 530 ILE H 1.0 1.8 4.2 274 209 A 529 LEU H A 530 ILE H 1.0 1.8 4.2 275 210 A 530 ILE H A 529 LEU HB2 1.0 1.8 3.3 276 210 A 530 ILE H A 529 LEU HB3 1.0 1.8 3.3 277 211 A 530 ILE H A 530 ILE HG12 1.0 1.8 3.3 278 211 A 530 ILE H A 530 ILE HG13 1.0 1.8 3.3 279 212 A 530 ILE H A 530 ILE HG2% 1.0 1.8 4.2 280 213 A 530 ILE H A 530 ILE HG12 1.0 1.8 4.2 281 213 A 530 ILE H A 530 ILE HG13 1.0 1.8 4.2 282 214 A 531 GLU H A 530 ILE H 1.0 1.8 4.2 283 215 A 531 GLU H A 531 GLU HA 1.0 1.8 4.2 284 216 A 531 GLU H A 531 GLU HB2 1.0 1.8 4.2 285 216 A 531 GLU H A 531 GLU HB3 1.0 1.8 4.2 286 217 A 531 GLU H A 530 ILE HB 1.0 1.8 4.2 287 218 A 533 THR H A 532 GLU H 1.0 1.8 3.3 288 219 A 531 GLU H A 532 GLU H 1.0 1.8 4.2 289 220 A 532 GLU H A 532 GLU HB2 1.0 1.8 3.3 290 220 A 532 GLU H A 532 GLU HB3 1.0 1.8 3.3 291 221 A 533 THR H A 532 GLU H 1.0 1.8 4.2 292 222 A 533 THR H A 533 THR HA 1.0 1.8 4.2 293 223 A 534 GLY H A 534 GLY HA2 1.0 1.8 4.2 294 223 A 534 GLY H A 534 GLY HA3 1.0 1.8 4.2 295 224 A 533 THR H A 532 GLU HB2 1.0 1.8 4.2 296 224 A 533 THR H A 532 GLU HB3 1.0 1.8 4.2 297 225 A 534 GLY H A 535 HIS H 1.0 1.8 4.2 298 226 A 534 GLY H A 534 GLY HA2 1.0 1.8 3.3 299 226 A 534 GLY H A 534 GLY HA3 1.0 1.8 3.3 300 227 A 537 HIS H A 536 PHE H 1.0 1.8 5.5 301 228 A 535 HIS H A 536 PHE H 1.0 1.8 4.2 302 229 A 536 PHE HD% A 536 PHE H 1.0 1.8 4.2 303 230 A 536 PHE H A 536 PHE HA 1.0 1.8 4.2 304 231 A 535 HIS HA A 536 PHE H 1.0 1.8 3.3 305 232 A 536 PHE H A 535 HIS HB2 1.0 1.8 5.5 306 232 A 535 HIS HB3 A 536 PHE H 1.0 1.8 5.5 307 233 A 536 PHE H A 536 PHE HB2 1.0 1.8 4.2 308 233 A 536 PHE H A 536 PHE HB3 1.0 1.8 4.2 309 234 A 536 PHE H A 536 PHE HB2 1.0 1.8 5.5 310 234 A 536 PHE H A 536 PHE HB3 1.0 1.8 5.5 311 235 A 536 PHE HD% A 537 HIS H 1.0 1.8 5.5 312 236 A 537 HIS H A 536 PHE HA 1.0 1.8 3.3 313 237 A 537 HIS H A 537 HIS HA 1.0 1.8 4.2 314 238 A 537 HIS H A 537 HIS HB2 1.0 1.8 4.2 315 238 A 537 HIS H A 537 HIS HB3 1.0 1.8 4.2 316 239 A 537 HIS H A 536 PHE HB2 1.0 1.8 4.2 317 239 A 537 HIS H A 536 PHE HB3 1.0 1.8 4.2 318 240 A 537 HIS H A 536 PHE HB2 1.0 1.8 3.3 319 240 A 537 HIS H A 536 PHE HB3 1.0 1.8 3.3 320 241 A 538 ILE HA A 538 ILE H 1.0 1.8 4.2 321 242 A 537 HIS HA A 538 ILE H 1.0 1.8 3.3 322 243 A 538 ILE H A 537 HIS HB2 1.0 1.8 4.2 323 243 A 537 HIS HB3 A 538 ILE H 1.0 1.8 4.2 324 244 A 538 ILE H A 538 ILE HB 1.0 1.8 3.3 325 245 A 538 ILE H A 538 ILE HG12 1.0 1.8 4.2 326 245 A 538 ILE H A 538 ILE HG13 1.0 1.8 4.2 327 246 A 538 ILE H A 538 ILE HG12 1.0 1.8 4.2 328 246 A 538 ILE H A 538 ILE HG13 1.0 1.8 4.2 329 247 A 538 ILE H A 538 ILE HG2% 1.0 1.8 4.2 330 248 A 542 THR H A 539 THR H 1.0 1.8 4.2 331 249 A 538 ILE HA A 539 THR H 1.0 1.8 2.8 332 250 A 538 ILE HB A 539 THR H 1.0 1.8 4.2 333 251 A 538 ILE HG2% A 539 THR H 1.0 1.8 3.3 334 252 A 541 THR H A 540 ASN H 1.0 1.8 4.2 335 253 A 540 ASN H A 539 THR HA 1.0 1.8 2.8 336 254 A 540 ASN H A 540 ASN HA 1.0 1.8 4.2 337 255 A 542 THR H A 539 THR H 1.0 1.8 4.2 338 256 A 542 THR H A 541 THR H 1.0 1.8 3.3 339 257 A 542 THR HG2% A 542 THR H 1.0 1.8 4.2 340 258 A 542 THR HG2% A 542 THR H 1.0 1.8 4.2 341 259 A 542 THR HG2% A 543 PHE H 1.0 1.8 4.2 342 260 B 883 ILE HB A 543 PHE H 1.0 1.8 4.2 343 261 A 543 PHE H A 543 PHE HB2 1.0 1.8 4.2 344 261 A 543 PHE HB3 A 543 PHE H 1.0 1.8 4.2 345 262 A 543 PHE H A 543 PHE HB2 1.0 1.8 4.2 346 262 A 543 PHE HB3 A 543 PHE H 1.0 1.8 4.2 347 263 A 545 PHE H B 881 VAL H 1.0 1.8 4.2 348 264 A 545 PHE H A 544 ASP HA 1.0 1.8 2.8 349 265 A 545 PHE H B 882 SER HA 1.0 1.8 4.2 350 266 A 545 PHE H A 545 PHE HA 1.0 1.8 4.2 351 267 A 545 PHE H A 544 ASP HB2 1.0 1.8 4.2 352 267 A 545 PHE H A 544 ASP HB3 1.0 1.8 4.2 353 268 A 545 PHE H B 881 VAL HB 1.0 1.8 4.2 354 269 A 545 PHE HA A 546 ASP H 1.0 1.8 3.3 355 270 A 546 ASP H A 545 PHE HB2 1.0 1.8 4.2 356 270 A 546 ASP H A 545 PHE HB3 1.0 1.8 4.2 357 271 A 546 ASP H A 545 PHE HB2 1.0 1.8 3.3 358 271 A 546 ASP H A 545 PHE HB3 1.0 1.8 3.3 359 272 A 551 ASP H A 551 ASP HB2 1.0 1.8 4.2 360 272 A 551 ASP HB3 A 551 ASP H 1.0 1.8 4.2 361 273 A 546 ASP H A 546 ASP HB2 1.0 1.8 3.3 362 273 A 546 ASP H A 546 ASP HB3 1.0 1.8 3.3 363 274 A 546 ASP H A 546 ASP HB2 1.0 1.8 4.2 364 274 A 546 ASP H A 546 ASP HB3 1.0 1.8 4.2 365 275 A 546 ASP H A 547 LEU HD2% 1.0 1.8 5.5 366 276 A 547 LEU H A 546 ASP HA 1.0 1.8 3.3 367 277 A 547 LEU H A 547 LEU HA 1.0 1.8 4.2 368 278 A 547 LEU H A 547 LEU HB2 1.0 1.8 3.3 369 278 A 547 LEU H A 547 LEU HB3 1.0 1.8 3.3 370 279 B 879 LEU H A 548 CYS H 1.0 1.8 4.2 371 280 A 548 CYS H A 547 LEU H 1.0 1.8 4.2 372 281 A 548 CYS H A 549 SER H 1.0 1.8 3.3 373 282 A 548 CYS H A 548 CYS HA 1.0 1.8 4.2 374 283 A 548 CYS H A 548 CYS HB2 1.0 1.8 3.3 375 283 A 548 CYS H A 548 CYS HB3 1.0 1.8 3.3 376 284 A 548 CYS H A 547 LEU HB2 1.0 1.8 4.2 377 284 A 548 CYS H A 547 LEU HB3 1.0 1.8 4.2 378 285 A 548 CYS H A 549 SER H 1.0 1.8 3.3 379 286 A 549 SER H A 550 LEU H 1.0 1.8 3.3 380 287 A 549 SER H A 549 SER HA 1.0 1.8 4.2 381 288 A 549 SER H A 548 CYS HA 1.0 1.8 3.3 382 289 A 549 SER H A 546 ASP HB2 1.0 1.8 4.2 383 289 A 546 ASP HB3 A 549 SER H 1.0 1.8 4.2 384 290 A 549 SER H A 548 CYS HB2 1.0 1.8 4.2 385 290 A 549 SER H A 548 CYS HB3 1.0 1.8 4.2 386 291 A 549 SER H A 550 LEU HG 1.0 1.8 4.2 387 292 A 550 LEU H A 550 LEU HB2 1.0 1.8 4.2 388 292 A 550 LEU H A 550 LEU HB3 1.0 1.8 4.2 389 293 A 550 LEU H A 550 LEU HB2 1.0 1.8 3.3 390 293 A 550 LEU H A 550 LEU HB3 1.0 1.8 3.3 391 294 A 550 LEU H A 550 LEU HG 1.0 1.8 3.3 392 295 A 549 SER H A 550 LEU H 1.0 1.8 3.3 393 296 A 551 ASP H A 551 ASP HA 1.0 1.8 4.2 394 297 A 551 ASP H A 550 LEU HA 1.0 1.8 2.8 395 298 A 551 ASP H A 551 ASP HB2 1.0 1.8 4.2 396 298 A 551 ASP HB3 A 551 ASP H 1.0 1.8 4.2 397 299 A 551 ASP H A 550 LEU HB2 1.0 1.8 4.2 398 299 A 551 ASP H A 550 LEU HB3 1.0 1.8 4.2 399 300 A 551 ASP H A 550 LEU HB2 1.0 1.8 4.2 400 300 A 551 ASP H A 550 LEU HB3 1.0 1.8 4.2 401 301 A 551 ASP H A 550 LEU HD2% 1.0 1.8 4.2 402 302 A 552 LYS H A 552 LYS HB2 1.0 1.8 2.8 403 302 A 552 LYS HB3 A 552 LYS H 1.0 1.8 2.8 404 303 A 552 LYS H A 551 ASP HB2 1.0 1.8 4.2 405 303 A 551 ASP HB3 A 552 LYS H 1.0 1.8 4.2 406 304 A 552 LYS H A 551 ASP HB2 1.0 1.8 3.3 407 304 A 551 ASP HB3 A 552 LYS H 1.0 1.8 3.3 408 305 A 552 LYS H A 552 LYS HA 1.0 1.8 4.2 409 306 A 551 ASP HA A 552 LYS H 1.0 1.8 3.3 410 307 A 552 LYS H A 553 THR H 1.0 1.8 4.2 411 308 A 552 LYS H A 553 THR H 1.0 1.8 4.2 412 309 A 553 THR H A 554 THR H 1.0 1.8 3.3 413 310 A 553 THR H A 553 THR HA 1.0 1.8 4.2 414 311 A 553 THR H A 551 ASP HB2 1.0 1.8 4.2 415 311 A 551 ASP HB3 A 553 THR H 1.0 1.8 4.2 416 312 A 553 THR H A 551 ASP HB2 1.0 1.8 4.2 417 312 A 551 ASP HB3 A 553 THR H 1.0 1.8 4.2 418 313 A 553 THR H A 552 LYS HB2 1.0 1.8 3.3 419 313 A 552 LYS HB3 A 553 THR H 1.0 1.8 3.3 420 314 A 553 THR H A 553 THR HG2% 1.0 1.8 4.2 421 315 A 554 THR H A 554 THR HA 1.0 1.8 4.2 422 316 A 553 THR H A 554 THR H 1.0 1.8 3.3 423 317 A 554 THR H A 554 THR HB 1.0 1.8 3.3 424 318 A 503 TYR H A 503 TYR HB2 1.0 1.8 3.3 425 318 A 503 TYR HB3 A 503 TYR H 1.0 1.8 3.3 426 319 A 555 VAL HG1% A 555 VAL H 1.0 1.8 4.2 427 320 A 555 VAL H A 555 VAL HG2% 1.0 1.8 3.3 428 321 A 555 VAL H A 555 VAL HB 1.0 1.8 3.3 429 322 A 555 VAL H A 555 VAL HA 1.0 1.8 4.2 430 323 A 554 THR HA A 555 VAL H 1.0 1.8 4.2 431 324 A 552 LYS HA A 555 VAL H 1.0 1.8 4.2 432 325 A 554 THR HB A 555 VAL H 1.0 1.8 3.3 433 326 A 555 VAL H A 556 ARG H 1.0 1.8 4.2 434 327 A 555 VAL H A 556 ARG H 1.0 1.8 3.3 435 328 A 557 LYS H A 556 ARG H 1.0 1.8 3.3 436 329 A 556 ARG H A 556 ARG HA 1.0 1.8 3.3 437 330 A 553 THR HA A 556 ARG H 1.0 1.8 4.2 438 331 A 555 VAL HA A 556 ARG H 1.0 1.8 4.2 439 332 A 555 VAL HB A 556 ARG H 1.0 1.8 3.3 440 333 A 556 ARG H A 556 ARG HG2 1.0 1.8 3.3 441 333 A 556 ARG H A 556 ARG HG3 1.0 1.8 3.3 442 334 A 556 ARG H A 556 ARG HB2 1.0 1.8 3.3 443 334 A 556 ARG H A 556 ARG HB3 1.0 1.8 3.3 444 335 A 555 VAL HG2% A 556 ARG H 1.0 1.8 4.2 445 336 A 555 VAL HG1% A 556 ARG H 1.0 1.8 4.2 446 337 A 557 LYS H A 557 LYS HA 1.0 1.8 3.3 447 338 A 559 GLN H A 558 LEU HB2 1.0 1.8 4.2 448 338 A 558 LEU HB3 A 559 GLN H 1.0 1.8 4.2 449 339 A 558 LEU H A 559 GLN H 1.0 1.8 4.2 450 340 A 559 GLN H A 560 SER H 1.0 1.8 4.2 451 341 A 556 ARG HA A 559 GLN H 1.0 1.8 4.2 452 342 A 559 GLN H A 559 GLN HA 1.0 1.8 4.2 453 343 A 559 GLN H A 559 GLN HG2 1.0 1.8 3.3 454 343 A 559 GLN H A 559 GLN HG3 1.0 1.8 3.3 455 344 A 559 GLN H A 559 GLN HB2 1.0 1.8 3.3 456 344 A 559 GLN H A 559 GLN HB3 1.0 1.8 3.3 457 345 A 559 GLN H A 559 GLN HB2 1.0 1.8 4.2 458 345 A 559 GLN H A 559 GLN HB3 1.0 1.8 4.2 459 346 A 559 GLN H A 558 LEU HB2 1.0 1.8 4.2 460 346 A 558 LEU HB3 A 559 GLN H 1.0 1.8 4.2 461 347 A 560 SER H A 559 GLN HB2 1.0 1.8 4.2 462 347 A 560 SER H A 559 GLN HB3 1.0 1.8 4.2 463 348 A 560 SER H A 559 GLN HB2 1.0 1.8 3.3 464 348 A 560 SER H A 559 GLN HB3 1.0 1.8 3.3 465 349 A 560 SER H A 560 SER HB2 1.0 1.8 3.3 466 349 A 560 SER H A 560 SER HB3 1.0 1.8 3.3 467 350 A 560 SER H A 560 SER HA 1.0 1.8 3.3 468 351 A 559 GLN H A 560 SER H 1.0 1.8 3.3 469 352 A 561 TYR H A 561 TYR HA 1.0 1.8 4.2 470 353 A 562 LEU H A 562 LEU HB2 1.0 1.8 4.2 471 353 A 562 LEU HB3 A 562 LEU H 1.0 1.8 4.2 472 354 A 562 LEU H A 561 TYR HB2 1.0 1.8 4.2 473 354 A 561 TYR HB3 A 562 LEU H 1.0 1.8 4.2 474 355 A 562 LEU H A 562 LEU HA 1.0 1.8 4.2 475 356 A 563 GLU H A 563 GLU HB2 1.0 1.8 3.3 476 356 A 563 GLU HB3 A 563 GLU H 1.0 1.8 3.3 477 357 A 563 GLU H A 563 GLU HG2 1.0 1.8 4.2 478 357 A 563 GLU H A 563 GLU HG3 1.0 1.8 4.2 479 358 A 563 GLU H A 562 LEU HB2 1.0 1.8 4.2 480 358 A 562 LEU HB3 A 563 GLU H 1.0 1.8 4.2 481 359 A 564 THR H A 563 GLU HB2 1.0 1.8 4.2 482 359 A 563 GLU HB3 A 564 THR H 1.0 1.8 4.2 483 360 A 564 THR H A 564 THR HG2% 1.0 1.8 4.2 484 361 A 564 THR H A 563 GLU HG2 1.0 1.8 5.5 485 361 A 563 GLU HG3 A 564 THR H 1.0 1.8 5.5 486 362 A 563 GLU H A 564 THR H 1.0 1.8 3.3 487 363 A 565 SER H A 565 SER HB2 1.0 1.8 3.3 488 363 A 565 SER HB3 A 565 SER H 1.0 1.8 3.3 489 364 A 565 SER HA A 566 GLY H 1.0 1.8 3.3 490 365 A 566 GLY H A 566 GLY HA2 1.0 1.8 3.3 491 365 A 566 GLY H A 566 GLY HA3 1.0 1.8 3.3 492 366 A 567 THR H A 566 GLY HA2 1.0 1.8 4.2 493 366 A 566 GLY HA3 A 567 THR H 1.0 1.8 4.2 494 367 A 567 THR H A 567 THR HG2% 1.0 1.8 5.5 495 368 A 568 SER H A 568 SER HB2 1.0 1.8 4.2 496 368 A 568 SER H A 568 SER HB3 1.0 1.8 4.2 497 369 B 889 VAL H B 890 LEU H 1.0 1.8 5.5 498 370 B 885 LEU H B 884 PRO HB2 1.0 1.8 5.5 499 370 B 885 LEU H B 884 PRO HB3 1.0 1.8 5.5 500 371 A 539 THR H A 540 ASN H 1.0 1.8 5.5 501 372 A 541 THR H A 540 ASN H 1.0 1.8 4.2 502 373 A 539 THR H A 541 THR H 1.0 1.8 5.5 503 374 A 542 THR H A 541 THR H 1.0 1.8 3.3 504 375 A 541 THR H A 540 ASN HA 1.0 1.8 4.2 505 376 A 541 THR H A 541 THR HB 1.0 1.8 5.5 506 377 A 542 THR HG2% A 541 THR H 1.0 1.8 5.5 507 378 A 541 THR H B 885 LEU HD1% 1.0 1.8 5.5 508 379 A 543 PHE H A 544 ASP H 1.0 1.8 5.5 509 380 A 538 ILE HA A 543 PHE H 1.0 1.8 5.5 510 381 B 882 SER HA A 543 PHE H 1.0 1.8 5.5 511 382 A 543 PHE H A 543 PHE HD% 1.0 1.8 5.5 512 383 A 535 HIS H A 534 GLY HA2 1.0 1.8 4.2 513 383 A 535 HIS H A 534 GLY HA3 1.0 1.8 4.2 514 384 B 877 ASN H B 877 ASN HB2 1.0 1.8 4.2 515 384 B 877 ASN HB3 B 877 ASN H 1.0 1.8 4.2 516 385 B 878 LYS H B 877 ASN H 1.0 1.8 4.2 517 386 B 879 LEU H A 548 CYS HB2 1.0 1.8 5.5 518 386 B 879 LEU H A 548 CYS HB3 1.0 1.8 5.5 519 387 B 881 VAL H B 880 PRO HB2 1.0 1.8 4.2 520 387 B 881 VAL H B 880 PRO HB3 1.0 1.8 4.2 521 388 B 881 VAL H B 880 PRO HB2 1.0 1.8 4.2 522 388 B 881 VAL H B 880 PRO HB3 1.0 1.8 4.2 523 389 B 881 VAL H B 882 SER H 1.0 1.8 5.5 524 390 B 882 SER H B 883 ILE H 1.0 1.8 5.5 525 391 B 881 VAL HB B 882 SER H 1.0 1.8 5.5 526 392 B 885 LEU H B 884 PRO HB2 1.0 1.8 5.5 527 392 B 885 LEU H B 884 PRO HB3 1.0 1.8 5.5 528 393 B 885 LEU H A 542 THR HG2% 1.0 1.8 4.2 529 394 B 886 ALA H B 885 LEU HA 1.0 1.8 4.2 530 395 B 887 SER H B 884 PRO HB2 1.0 1.8 5.5 531 395 B 887 SER H B 884 PRO HB3 1.0 1.8 5.5 532 396 B 887 SER H B 884 PRO HD2 1.0 1.8 5.5 533 396 B 887 SER H B 884 PRO HD3 1.0 1.8 5.5 534 397 B 886 ALA H B 888 VAL H 1.0 1.8 5.5 535 398 B 888 VAL H B 889 VAL H 1.0 1.8 5.5 536 399 B 889 VAL H B 890 LEU H 1.0 1.8 5.5 537 400 B 888 VAL H B 889 VAL H 1.0 1.8 4.2 538 401 B 890 LEU H B 890 LEU HB2 1.0 1.8 4.2 539 401 B 890 LEU HB3 B 890 LEU H 1.0 1.8 4.2 540 402 B 890 LEU H B 889 VAL HB 1.0 1.8 5.5 541 403 B 890 LEU H B 891 PRO HD2 1.0 1.8 5.5 542 403 B 890 LEU H B 891 PRO HD3 1.0 1.8 5.5 543 404 B 888 VAL HG2% B 890 LEU H 1.0 1.8 5.5 544 405 B 892 SER H B 891 PRO HB2 1.0 1.8 5.5 545 405 B 892 SER H B 891 PRO HB3 1.0 1.8 5.5 546 406 B 894 ALA H B 893 ARG HB2 1.0 1.8 5.5 547 406 B 894 ALA H B 893 ARG HB3 1.0 1.8 5.5 548 407 B 894 ALA H B 893 ARG HG2 1.0 1.8 5.5 549 407 B 894 ALA H B 893 ARG HG3 1.0 1.8 5.5 550 408 B 897 ALA H B 896 ARG HB2 1.0 1.8 5.5 551 408 B 897 ALA H B 896 ARG HB3 1.0 1.8 5.5 552 409 B 899 SER H B 899 SER HB2 1.0 1.8 5.5 553 409 B 899 SER HB3 B 899 SER H 1.0 1.8 5.5 554 410 B 899 SER H B 898 ARG HA 1.0 1.8 4.2 555 411 A 511 HIS HA A 511 HIS HD2 1.0 1.8 4.2 556 411 A 511 HIS HA A 511 HIS HD1 1.0 1.8 4.2 557 412 A 511 HIS HD1 A 511 HIS HB2 1.0 1.8 4.2 558 412 A 511 HIS HD2 A 511 HIS HB2 1.0 1.8 4.2 559 412 A 511 HIS HB3 A 511 HIS HD2 1.0 1.8 4.2 560 412 A 511 HIS HB3 A 511 HIS HD1 1.0 1.8 4.2 561 413 A 511 HIS HD1 A 511 HIS HB2 1.0 1.8 4.2 562 413 A 511 HIS HD2 A 511 HIS HB2 1.0 1.8 4.2 563 413 A 511 HIS HB3 A 511 HIS HD2 1.0 1.8 4.2 564 413 A 511 HIS HB3 A 511 HIS HD1 1.0 1.8 4.2 565 414 A 561 TYR HD% A 561 TYR HB2 1.0 1.8 3.3 566 414 A 561 TYR HB3 A 561 TYR HD% 1.0 1.8 3.3 567 415 A 561 TYR HD% A 561 TYR HB2 1.0 1.8 4.2 568 415 A 561 TYR HB3 A 561 TYR HD% 1.0 1.8 4.2 569 416 A 561 TYR HD% A 561 TYR HE% 1.0 1.8 2.8 570 417 A 561 TYR HD% A 561 TYR HE% 1.0 1.8 2.8 571 418 A 561 TYR HA A 561 TYR HD% 1.0 1.8 3.3 572 419 A 561 TYR HA A 561 TYR HE% 1.0 1.8 4.2 573 420 A 561 TYR HE% A 561 TYR HB2 1.0 1.8 5.5 574 420 A 561 TYR HB3 A 561 TYR HE% 1.0 1.8 5.5 575 421 A 561 TYR HE% A 561 TYR HB2 1.0 1.8 5.5 576 421 A 561 TYR HB3 A 561 TYR HE% 1.0 1.8 5.5 577 422 A 503 TYR HA A 503 TYR HE% 1.0 1.8 5.5 578 423 A 503 TYR HD% A 503 TYR HB2 1.0 1.8 3.3 579 423 A 503 TYR HB3 A 503 TYR HD% 1.0 1.8 3.3 580 424 A 503 TYR HD% A 503 TYR HB2 1.0 1.8 3.3 581 424 A 503 TYR HB3 A 503 TYR HD% 1.0 1.8 3.3 582 425 A 503 TYR HA A 503 TYR HD% 1.0 1.8 3.3 583 426 A 507 LEU HD2% A 503 TYR HD% 1.0 1.8 4.2 584 427 A 503 TYR HD% A 506 GLU HB2 1.0 1.8 5.5 585 427 A 506 GLU HB3 A 503 TYR HD% 1.0 1.8 5.5 586 428 A 503 TYR HE% A 503 TYR HD% 1.0 1.8 2.8 587 429 A 503 TYR H A 503 TYR HD% 1.0 1.8 4.2 588 430 A 504 LEU H A 503 TYR HD% 1.0 1.8 4.2 589 431 A 503 TYR HE% A 503 TYR HB2 1.0 1.8 5.5 590 431 A 503 TYR HB3 A 503 TYR HE% 1.0 1.8 5.5 591 432 A 503 TYR HE% A 503 TYR HB2 1.0 1.8 5.5 592 432 A 503 TYR HB3 A 503 TYR HE% 1.0 1.8 5.5 593 433 A 503 TYR HE% A 503 TYR HD% 1.0 1.8 2.8 594 434 A 552 LYS HA A 503 TYR HE% 1.0 1.8 5.5 595 435 A 503 TYR HE% A 552 LYS HB2 1.0 1.8 5.5 596 435 A 552 LYS HB3 A 503 TYR HE% 1.0 1.8 5.5 597 436 A 555 VAL HG2% A 503 TYR HE% 1.0 1.8 4.2 598 437 A 555 VAL HG1% A 503 TYR HE% 1.0 1.8 4.2 599 438 A 507 LEU HD2% A 503 TYR HE% 1.0 1.8 3.3 600 439 A 558 LEU HA A 561 TYR HE% 1.0 1.8 4.2 601 440 A 561 TYR HE% A 526 ILE HA 1.0 1.8 4.2 602 441 A 561 TYR HE% A 529 LEU HB2 1.0 1.8 3.3 603 441 A 529 LEU HB3 A 561 TYR HE% 1.0 1.8 3.3 604 442 A 561 TYR HE% A 525 GLN HB2 1.0 1.8 4.2 605 442 A 525 GLN HB3 A 561 TYR HE% 1.0 1.8 4.2 606 443 A 561 TYR HE% A 529 LEU HG 1.0 1.8 5.5 607 444 A 561 TYR HE% A 529 LEU HD2% 1.0 1.8 3.3 608 445 A 536 PHE HD% A 536 PHE HB2 1.0 1.8 4.2 609 445 A 536 PHE HD% A 536 PHE HB3 1.0 1.8 4.2 610 446 A 536 PHE HD% A 536 PHE HB2 1.0 1.8 4.2 611 446 A 536 PHE HD% A 536 PHE HB3 1.0 1.8 4.2 612 447 A 536 PHE HD% A 538 ILE HG12 1.0 1.8 5.5 613 447 A 536 PHE HD% A 538 ILE HG13 1.0 1.8 5.5 614 448 A 536 PHE HD% A 538 ILE HD1% 1.0 1.8 5.5 615 449 A 536 PHE HD% A 530 ILE HD1% 1.0 1.8 4.2 616 450 A 536 PHE HD% A 536 PHE HE% 1.0 1.8 2.8 617 451 A 536 PHE HE% A 531 GLU HG2 1.0 1.8 5.5 618 451 A 536 PHE HE% A 531 GLU HG3 1.0 1.8 5.5 619 452 A 536 PHE HE% A 538 ILE HG12 1.0 1.8 5.5 620 452 A 538 ILE HG13 A 536 PHE HE% 1.0 1.8 5.5 621 453 A 538 ILE HD1% A 536 PHE HE% 1.0 1.8 5.5 622 454 A 531 GLU HA A 536 PHE HE% 1.0 1.8 4.2 623 455 A 536 PHE HD% A 536 PHE HE% 1.0 1.8 3.3 624 456 A 536 PHE HD% A 537 HIS HA 1.0 1.8 5.5 625 457 A 536 PHE HD% A 535 HIS HA 1.0 1.8 5.5 626 458 A 536 PHE HD% A 536 PHE HA 1.0 1.8 5.5 627 459 A 536 PHE HD% A 534 GLY HA2 1.0 1.8 5.5 628 459 A 536 PHE HD% A 534 GLY HA3 1.0 1.8 5.5 629 460 A 535 HIS H A 536 PHE HD% 1.0 1.8 5.5 630 461 A 536 PHE HD% A 538 ILE H 1.0 1.8 5.5 631 462 A 536 PHE HD% A 537 HIS H 1.0 1.8 4.2 632 463 A 545 PHE HD% A 545 PHE HB2 1.0 1.8 4.2 633 463 A 545 PHE HB3 A 545 PHE HD% 1.0 1.8 4.2 634 464 A 545 PHE HD% A 545 PHE HB2 1.0 1.8 3.3 635 464 A 545 PHE HB3 A 545 PHE HD% 1.0 1.8 3.3 636 465 A 547 LEU HD2% A 545 PHE HD% 1.0 1.8 3.3 637 466 B 881 VAL HB A 545 PHE HD% 1.0 1.8 5.5 638 467 A 530 ILE HG2% A 545 PHE HD% 1.0 1.8 5.5 639 468 A 545 PHE HD% A 530 ILE HG12 1.0 1.8 5.5 640 468 A 530 ILE HG13 A 545 PHE HD% 1.0 1.8 5.5 641 469 A 547 LEU HA A 545 PHE HD% 1.0 1.8 5.5 642 470 A 545 PHE HA A 545 PHE HD% 1.0 1.8 5.5 643 471 A 535 HIS HD1 A 535 HIS HB2 1.0 1.8 4.2 644 471 A 535 HIS HD2 A 535 HIS HB2 1.0 1.8 4.2 645 471 A 535 HIS HB3 A 535 HIS HD2 1.0 1.8 4.2 646 471 A 535 HIS HB3 A 535 HIS HD1 1.0 1.8 4.2 647 472 A 535 HIS HD1 A 535 HIS HB2 1.0 1.8 5.5 648 472 A 535 HIS HD2 A 535 HIS HB2 1.0 1.8 5.5 649 472 A 535 HIS HB3 A 535 HIS HD2 1.0 1.8 5.5 650 472 A 535 HIS HB3 A 535 HIS HD1 1.0 1.8 5.5 651 473 A 535 HIS H A 535 HIS HD2 1.0 1.8 5.5 652 473 A 535 HIS H A 535 HIS HD1 1.0 1.8 5.5 653 474 A 537 HIS HD1 A 537 HIS HB2 1.0 1.8 4.2 654 474 A 537 HIS HD2 A 537 HIS HB2 1.0 1.8 4.2 655 474 A 537 HIS HB3 A 537 HIS HD2 1.0 1.8 4.2 656 474 A 537 HIS HB3 A 537 HIS HD1 1.0 1.8 4.2 657 475 A 521 HIS HD2 A 521 HIS HB2 1.0 1.8 4.2 658 475 A 521 HIS HD1 A 521 HIS HB2 1.0 1.8 4.2 659 475 A 521 HIS HB3 A 521 HIS HD2 1.0 1.8 4.2 660 475 A 521 HIS HB3 A 521 HIS HD1 1.0 1.8 4.2 661 476 A 521 HIS HD1 A 521 HIS HB2 1.0 1.8 4.2 662 476 A 521 HIS HB3 A 521 HIS HD2 1.0 1.8 4.2 663 476 A 521 HIS HB3 A 521 HIS HD1 1.0 1.8 4.2 664 476 A 521 HIS HD2 A 521 HIS HB2 1.0 1.8 4.2 665 477 A 521 HIS HD1 A 522 ILE HG12 1.0 1.8 5.5 666 477 A 521 HIS HD2 A 522 ILE HG12 1.0 1.8 5.5 667 477 A 522 ILE HG13 A 521 HIS HD2 1.0 1.8 5.5 668 477 A 522 ILE HG13 A 521 HIS HD1 1.0 1.8 5.5 669 478 A 538 ILE H A 537 HIS HD2 1.0 1.8 5.5 670 478 A 538 ILE H A 537 HIS HD1 1.0 1.8 5.5 671 479 A 531 GLU HA A 536 PHE HE% 1.0 1.8 4.2 672 480 A 536 PHE HE% A 534 GLY HA2 1.0 1.8 5.5 673 480 A 534 GLY HA3 A 536 PHE HE% 1.0 1.8 5.5 674 481 A 545 PHE H A 545 PHE HD% 1.0 1.8 4.2 675 482 A 546 ASP H A 545 PHE HD% 1.0 1.8 4.2 676 483 A 561 TYR HD% A 526 ILE HG12 1.0 1.8 4.2 677 483 A 526 ILE HG13 A 561 TYR HD% 1.0 1.8 4.2 678 484 A 558 LEU HA A 561 TYR HD% 1.0 1.8 4.2 679 485 A 561 TYR HD% A 525 GLN HB2 1.0 1.8 5.5 680 485 A 525 GLN HB3 A 561 TYR HD% 1.0 1.8 5.5 681 486 A 561 TYR H A 561 TYR HD% 1.0 1.8 4.2 682 487 A 526 ILE H A 561 TYR HE% 1.0 1.8 5.5 683 488 A 561 TYR H A 561 TYR HE% 1.0 1.8 5.5 684 489 A 529 LEU H A 561 TYR HE% 1.0 1.8 5.5 685 490 A 526 ILE H A 561 TYR HD% 1.0 1.8 5.5 686 491 A 562 LEU H A 561 TYR HD% 1.0 1.8 5.5 687 492 A 511 HIS HD2 B 879 LEU HB2 1.0 1.8 4.2 688 492 A 511 HIS HD1 B 879 LEU HB2 1.0 1.8 4.2 689 492 B 879 LEU HB3 A 511 HIS HD2 1.0 1.8 4.2 690 492 B 879 LEU HB3 A 511 HIS HD1 1.0 1.8 4.2 691 493 A 511 HIS HD2 B 879 LEU HB2 1.0 1.8 4.2 692 493 A 511 HIS HD1 B 879 LEU HB2 1.0 1.8 4.2 693 493 B 879 LEU HB3 A 511 HIS HD2 1.0 1.8 4.2 694 493 B 879 LEU HB3 A 511 HIS HD1 1.0 1.8 4.2 695 494 B 881 VAL HG2% A 511 HIS HD2 1.0 1.8 3.3 696 494 A 511 HIS HD1 B 881 VAL HG2% 1.0 1.8 3.3 697 495 B 879 LEU HD2% A 511 HIS HD2 1.0 1.8 4.2 698 495 B 879 LEU HD2% A 511 HIS HD1 1.0 1.8 4.2 699 496 A 543 PHE HD% A 543 PHE HB2 1.0 1.8 3.3 700 496 A 543 PHE HB3 A 543 PHE HD% 1.0 1.8 3.3 701 497 B 881 VAL HA A 511 HIS HD2 1.0 1.8 5.5 702 497 B 881 VAL HA A 511 HIS HD1 1.0 1.8 5.5 703 498 B 879 LEU HA A 511 HIS HD2 1.0 1.8 5.5 704 498 B 879 LEU HA A 511 HIS HD1 1.0 1.8 5.5 705 499 A 511 HIS HE1 A 511 HIS HD2 1.0 1.8 5.5 706 499 A 511 HIS HD1 A 511 HIS HE1 1.0 1.8 5.5 707 500 A 547 LEU H A 511 HIS HD2 1.0 1.8 5.5 708 500 A 547 LEU H A 511 HIS HD1 1.0 1.8 5.5 709 501 A 511 HIS H A 511 HIS HD2 1.0 1.8 5.5 710 501 A 511 HIS H A 511 HIS HD1 1.0 1.8 5.5 711 502 B 879 LEU HD2% A 511 HIS HE1 1.0 1.8 4.2 712 503 A 511 HIS HE1 B 880 PRO HD2 1.0 1.8 5.5 713 503 B 880 PRO HD3 A 511 HIS HE1 1.0 1.8 5.5 714 504 B 879 LEU HA A 511 HIS HE1 1.0 1.8 5.5 715 505 A 526 ILE HB A 543 PHE HE% 1.0 1.8 5.5 716 506 A 543 PHE HE% B 883 ILE HG12 1.0 1.8 5.5 717 506 B 883 ILE HG13 A 543 PHE HE% 1.0 1.8 5.5 718 507 A 543 PHE HE% B 883 ILE HG12 1.0 1.8 5.5 719 507 B 883 ILE HG13 A 543 PHE HE% 1.0 1.8 5.5 720 508 A 543 PHE HE% B 883 ILE HD1% 1.0 1.8 3.3 721 509 B 881 VAL HB A 543 PHE HE% 1.0 1.8 5.5 722 510 A 543 PHE HE% A 545 PHE HB2 1.0 1.8 5.5 723 510 A 545 PHE HB3 A 543 PHE HE% 1.0 1.8 5.5 724 511 A 543 PHE HE% A 545 PHE HB2 1.0 1.8 5.5 725 511 A 545 PHE HB3 A 543 PHE HE% 1.0 1.8 5.5 726 512 A 543 PHE HD% A 543 PHE HB2 1.0 1.8 4.2 727 512 A 543 PHE HB3 A 543 PHE HD% 1.0 1.8 4.2 728 513 A 543 PHE HD% A 543 PHE HA 1.0 1.8 4.2 729 514 B 883 ILE HB A 543 PHE HD% 1.0 1.8 4.2 730 515 A 543 PHE HD% A 538 ILE HG12 1.0 1.8 4.2 731 515 A 538 ILE HG13 A 543 PHE HD% 1.0 1.8 4.2 732 516 A 543 PHE HD% A 538 ILE HD1% 1.0 1.8 4.2 733 517 A 543 PHE HD% B 890 LEU HD2% 1.0 1.8 4.2 734 518 A 527 VAL HG2% A 543 PHE HD% 1.0 1.8 5.5 735 519 A 527 VAL HG1% A 543 PHE HD% 1.0 1.8 5.5 736 520 A 544 ASP H A 543 PHE HD% 1.0 1.8 5.5 737 521 A 543 PHE H A 543 PHE HD% 1.0 1.8 5.5 738 522 B 883 ILE H A 543 PHE HD% 1.0 1.8 5.5 739 523 A 526 ILE HG2% A 545 PHE HE% 1.0 1.8 4.2 740 524 B 881 VAL HB A 545 PHE HE% 1.0 1.8 5.5 741 525 A 522 ILE HD1% A 521 HIS HE1 1.0 1.8 5.5 742 526 A 521 HIS HE1 A 521 HIS HD2 1.0 1.8 5.5 743 526 A 521 HIS HD1 A 521 HIS HE1 1.0 1.8 5.5 744 527 A 537 HIS HE1 A 537 HIS HB2 1.0 1.8 5.5 745 527 A 537 HIS HB3 A 537 HIS HE1 1.0 1.8 5.5 746 528 A 521 HIS HD2 A 522 ILE HG12 1.0 1.8 5.5 747 528 A 522 ILE HG13 A 521 HIS HD2 1.0 1.8 5.5 748 528 A 522 ILE HG13 A 521 HIS HD1 1.0 1.8 5.5 749 528 A 521 HIS HD1 A 522 ILE HG12 1.0 1.8 5.5 750 529 A 522 ILE HD1% A 521 HIS HD2 1.0 1.8 5.5 751 529 A 521 HIS HD1 A 522 ILE HD1% 1.0 1.8 5.5 752 530 A 521 HIS HD2 A 525 GLN HG2 1.0 1.8 5.5 753 530 A 521 HIS HD1 A 525 GLN HG2 1.0 1.8 5.5 754 530 A 525 GLN HG3 A 521 HIS HD2 1.0 1.8 5.5 755 530 A 521 HIS HD1 A 525 GLN HG3 1.0 1.8 5.5 756 531 A 522 ILE HA A 521 HIS HD2 1.0 1.8 5.5 757 531 A 522 ILE HA A 521 HIS HD1 1.0 1.8 5.5 758 532 A 521 HIS HA A 521 HIS HD2 1.0 1.8 5.5 759 532 A 521 HIS HD1 A 521 HIS HA 1.0 1.8 5.5 760 533 A 521 HIS HE1 A 521 HIS HD2 1.0 1.8 5.5 761 533 A 521 HIS HD1 A 521 HIS HE1 1.0 1.8 5.5 762 534 A 538 ILE H A 537 HIS HD2 1.0 1.8 5.5 763 534 A 538 ILE H A 537 HIS HD1 1.0 1.8 5.5 764 535 A 537 HIS H A 537 HIS HD2 1.0 1.8 5.5 765 535 A 537 HIS H A 537 HIS HD1 1.0 1.8 5.5 766 536 A 542 THR HG2% B 882 SER HB2 1.0 1.8 3.3 767 536 B 882 SER HB3 A 542 THR HG2% 1.0 1.8 3.3 768 537 B 882 SER HA B 882 SER HB2 1.0 1.8 3.3 769 537 B 882 SER HA B 882 SER HB3 1.0 1.8 3.3 770 538 B 882 SER HA B 882 SER HB2 1.0 1.8 3.3 771 538 B 882 SER HA B 882 SER HB3 1.0 1.8 3.3 772 539 A 542 THR HG2% B 882 SER HB2 1.0 1.8 4.2 773 539 B 882 SER HB3 A 542 THR HG2% 1.0 1.8 4.2 774 540 A 542 THR HG2% B 882 SER HB2 1.0 1.8 4.2 775 540 B 882 SER HB3 A 542 THR HG2% 1.0 1.8 4.2 776 541 A 542 THR HB B 882 SER HB2 1.0 1.8 4.2 777 541 B 882 SER HB3 A 542 THR HB 1.0 1.8 4.2 778 542 A 538 ILE HB A 538 ILE HG2% 1.0 1.8 3.3 779 543 A 538 ILE HA A 538 ILE HB 1.0 1.8 4.2 780 544 A 538 ILE H A 538 ILE HB 1.0 1.8 3.3 781 545 A 538 ILE HB A 539 THR H 1.0 1.8 4.2 782 546 A 522 ILE HB A 522 ILE HG12 1.0 1.8 3.3 783 546 A 522 ILE HB A 522 ILE HG13 1.0 1.8 3.3 784 547 A 522 ILE HB A 522 ILE HA 1.0 1.8 4.2 785 548 A 523 LEU H A 522 ILE HB 1.0 1.8 3.3 786 549 A 522 ILE H A 522 ILE HB 1.0 1.8 3.3 787 550 A 526 ILE HB A 523 LEU HA 1.0 1.8 4.2 788 551 A 526 ILE HA A 526 ILE HB 1.0 1.8 4.2 789 552 A 506 GLU HA A 506 GLU HG2 1.0 1.8 3.3 790 552 A 506 GLU HG3 A 506 GLU HA 1.0 1.8 3.3 791 553 B 878 LYS H B 878 LYS HB2 1.0 1.8 4.2 792 553 B 878 LYS H B 878 LYS HB3 1.0 1.8 4.2 793 554 B 879 LEU H B 878 LYS HB2 1.0 1.8 4.2 794 554 B 879 LEU H B 878 LYS HB3 1.0 1.8 4.2 795 555 B 878 LYS HA B 878 LYS HB2 1.0 1.8 3.3 796 555 B 878 LYS HB3 B 878 LYS HA 1.0 1.8 3.3 797 556 B 878 LYS HB3 B 880 PRO HD2 1.0 1.8 4.2 798 556 B 878 LYS HB2 B 880 PRO HD2 1.0 1.8 4.2 799 556 B 880 PRO HD3 B 878 LYS HB2 1.0 1.8 4.2 800 556 B 878 LYS HB3 B 880 PRO HD3 1.0 1.8 4.2 801 557 B 878 LYS HB3 B 880 PRO HD2 1.0 1.8 4.2 802 557 B 878 LYS HB2 B 880 PRO HD2 1.0 1.8 4.2 803 557 B 880 PRO HD3 B 878 LYS HB2 1.0 1.8 4.2 804 557 B 878 LYS HB3 B 880 PRO HD3 1.0 1.8 4.2 805 558 B 878 LYS HA B 878 LYS HB2 1.0 1.8 3.3 806 558 B 878 LYS HB3 B 878 LYS HA 1.0 1.8 3.3 807 559 B 878 LYS H B 878 LYS HB2 1.0 1.8 4.2 808 559 B 878 LYS H B 878 LYS HB3 1.0 1.8 4.2 809 560 B 895 GLU HB3 B 895 GLU HG2 1.0 1.8 2.8 810 560 B 895 GLU HB2 B 895 GLU HG2 1.0 1.8 2.8 811 560 B 895 GLU HG3 B 895 GLU HB2 1.0 1.8 2.8 812 560 B 895 GLU HB3 B 895 GLU HG3 1.0 1.8 2.8 813 561 B 895 GLU HA B 895 GLU HG2 1.0 1.8 4.2 814 561 B 895 GLU HG3 B 895 GLU HA 1.0 1.8 4.2 815 562 A 532 GLU HA A 532 GLU HG2 1.0 1.8 4.2 816 562 A 532 GLU HA A 532 GLU HG3 1.0 1.8 4.2 817 563 A 563 GLU HA A 563 GLU HG2 1.0 1.8 3.3 818 563 A 563 GLU HG3 A 563 GLU HA 1.0 1.8 3.3 819 564 A 563 GLU H A 563 GLU HG2 1.0 1.8 4.2 820 564 A 563 GLU H A 563 GLU HG3 1.0 1.8 4.2 821 565 A 532 GLU H A 532 GLU HG2 1.0 1.8 4.2 822 565 A 532 GLU H A 532 GLU HG3 1.0 1.8 4.2 823 566 A 520 ARG H A 519 GLU HG2 1.0 1.8 4.2 824 566 A 519 GLU HG3 A 520 ARG H 1.0 1.8 4.2 825 567 A 519 GLU HA A 519 GLU HG2 1.0 1.8 3.3 826 567 A 519 GLU HG3 A 519 GLU HA 1.0 1.8 3.3 827 568 A 519 GLU HG2 A 522 ILE HG12 1.0 1.8 4.2 828 568 A 519 GLU HG3 A 522 ILE HG12 1.0 1.8 4.2 829 568 A 522 ILE HG13 A 519 GLU HG2 1.0 1.8 4.2 830 568 A 519 GLU HG3 A 522 ILE HG13 1.0 1.8 4.2 831 569 A 522 ILE HB A 519 GLU HG2 1.0 1.8 4.2 832 569 A 519 GLU HG3 A 522 ILE HB 1.0 1.8 4.2 833 570 A 506 GLU H A 506 GLU HG2 1.0 1.8 3.3 834 570 A 506 GLU H A 506 GLU HG3 1.0 1.8 3.3 835 571 A 525 GLN HA A 528 ASN HB2 1.0 1.8 3.3 836 571 A 525 GLN HA A 528 ASN HB3 1.0 1.8 3.3 837 572 A 528 ASN HA A 528 ASN HB2 1.0 1.8 3.3 838 572 A 528 ASN HA A 528 ASN HB3 1.0 1.8 3.3 839 573 A 529 LEU H A 528 ASN HB2 1.0 1.8 3.3 840 573 A 529 LEU H A 528 ASN HB3 1.0 1.8 3.3 841 574 A 528 ASN H A 528 ASN HB2 1.0 1.8 3.3 842 574 A 528 ASN H A 528 ASN HB3 1.0 1.8 3.3 843 575 A 505 ASP HA A 505 ASP HB2 1.0 1.8 3.3 844 575 A 505 ASP HA A 505 ASP HB3 1.0 1.8 3.3 845 576 A 506 GLU H A 505 ASP HB2 1.0 1.8 4.2 846 576 A 506 GLU H A 505 ASP HB3 1.0 1.8 4.2 847 577 A 505 ASP H A 505 ASP HB2 1.0 1.8 3.3 848 577 A 505 ASP H A 505 ASP HB3 1.0 1.8 3.3 849 578 A 502 ALA HB% A 505 ASP HB2 1.0 1.8 4.2 850 578 A 502 ALA HB% A 505 ASP HB3 1.0 1.8 4.2 851 579 A 546 ASP HA A 546 ASP HB2 1.0 1.8 3.3 852 579 A 546 ASP HA A 546 ASP HB3 1.0 1.8 3.3 853 580 A 544 ASP HA A 544 ASP HB2 1.0 1.8 4.2 854 580 A 544 ASP HA A 544 ASP HB3 1.0 1.8 4.2 855 581 A 544 ASP H A 544 ASP HB2 1.0 1.8 4.2 856 581 A 544 ASP HB3 A 544 ASP H 1.0 1.8 4.2 857 582 A 544 ASP H A 544 ASP HB2 1.0 1.8 4.2 858 582 A 544 ASP HB3 A 544 ASP H 1.0 1.8 4.2 859 583 A 546 ASP HA A 546 ASP HB2 1.0 1.8 4.2 860 583 A 546 ASP HA A 546 ASP HB3 1.0 1.8 4.2 861 584 A 546 ASP H A 546 ASP HB2 1.0 1.8 3.3 862 584 A 546 ASP H A 546 ASP HB3 1.0 1.8 3.3 863 585 A 549 SER H A 546 ASP HB2 1.0 1.8 4.2 864 585 A 546 ASP HB3 A 549 SER H 1.0 1.8 4.2 865 586 A 551 ASP HA A 551 ASP HB2 1.0 1.8 3.3 866 586 A 551 ASP HB3 A 551 ASP HA 1.0 1.8 3.3 867 587 A 551 ASP H A 551 ASP HB2 1.0 1.8 3.3 868 587 A 551 ASP HB3 A 551 ASP H 1.0 1.8 3.3 869 588 A 552 LYS H A 551 ASP HB2 1.0 1.8 3.3 870 588 A 551 ASP HB3 A 552 LYS H 1.0 1.8 3.3 871 589 A 553 THR H A 551 ASP HB2 1.0 1.8 4.2 872 589 A 551 ASP HB3 A 553 THR H 1.0 1.8 4.2 873 590 A 554 THR H A 551 ASP HB2 1.0 1.8 4.2 874 590 A 551 ASP HB3 A 554 THR H 1.0 1.8 4.2 875 591 A 551 ASP HA A 551 ASP HB2 1.0 1.8 3.3 876 591 A 551 ASP HB3 A 551 ASP HA 1.0 1.8 3.3 877 592 A 551 ASP H A 551 ASP HB2 1.0 1.8 3.3 878 592 A 551 ASP HB3 A 551 ASP H 1.0 1.8 3.3 879 593 A 552 LYS H A 551 ASP HB2 1.0 1.8 3.3 880 593 A 551 ASP HB3 A 552 LYS H 1.0 1.8 3.3 881 594 A 553 THR H A 551 ASP HB2 1.0 1.8 4.2 882 594 A 551 ASP HB3 A 553 THR H 1.0 1.8 4.2 883 595 A 554 THR H A 551 ASP HB2 1.0 1.8 4.2 884 595 A 551 ASP HB3 A 554 THR H 1.0 1.8 4.2 885 596 A 537 HIS H A 536 PHE HB2 1.0 1.8 4.2 886 596 A 537 HIS H A 536 PHE HB3 1.0 1.8 4.2 887 597 A 512 ARG H A 512 ARG HD2 1.0 1.8 4.2 888 597 A 512 ARG H A 512 ARG HD3 1.0 1.8 4.2 889 598 A 518 ARG HA A 518 ARG HD2 1.0 1.8 3.3 890 598 A 518 ARG HA A 518 ARG HD3 1.0 1.8 3.3 891 599 B 879 LEU HA B 880 PRO HD2 1.0 1.8 2.8 892 599 B 879 LEU HA B 880 PRO HD3 1.0 1.8 2.8 893 600 B 880 PRO HD2 B 880 PRO HG2 1.0 1.8 3.3 894 600 B 880 PRO HG3 B 880 PRO HD2 1.0 1.8 3.3 895 600 B 880 PRO HD3 B 880 PRO HG3 1.0 1.8 3.3 896 600 B 880 PRO HD3 B 880 PRO HG2 1.0 1.8 3.3 897 601 B 880 PRO HD2 B 880 PRO HG2 1.0 1.8 3.3 898 601 B 880 PRO HD3 B 880 PRO HG2 1.0 1.8 3.3 899 601 B 880 PRO HG3 B 880 PRO HD2 1.0 1.8 3.3 900 601 B 880 PRO HD3 B 880 PRO HG3 1.0 1.8 3.3 901 602 B 878 LYS HB3 B 880 PRO HD2 1.0 1.8 3.3 902 602 B 878 LYS HB2 B 880 PRO HD2 1.0 1.8 3.3 903 602 B 880 PRO HD3 B 878 LYS HB2 1.0 1.8 3.3 904 602 B 878 LYS HB3 B 880 PRO HD3 1.0 1.8 3.3 905 603 B 890 LEU HA B 891 PRO HD2 1.0 1.8 3.3 906 603 B 891 PRO HD3 B 890 LEU HA 1.0 1.8 3.3 907 604 B 891 PRO HD3 B 891 PRO HG2 1.0 1.8 3.3 908 604 B 891 PRO HD2 B 891 PRO HG2 1.0 1.8 3.3 909 604 B 891 PRO HG3 B 891 PRO HD2 1.0 1.8 3.3 910 604 B 891 PRO HD3 B 891 PRO HG3 1.0 1.8 3.3 911 605 B 890 LEU HB2 B 891 PRO HD2 1.0 1.8 4.2 912 605 B 890 LEU HB3 B 891 PRO HD2 1.0 1.8 4.2 913 605 B 891 PRO HD3 B 890 LEU HB2 1.0 1.8 4.2 914 605 B 890 LEU HB3 B 891 PRO HD3 1.0 1.8 4.2 915 606 B 883 ILE HA B 884 PRO HD2 1.0 1.8 2.8 916 606 B 884 PRO HD3 B 883 ILE HA 1.0 1.8 2.8 917 607 B 884 PRO HD3 B 884 PRO HG2 1.0 1.8 3.3 918 607 B 884 PRO HD2 B 884 PRO HG2 1.0 1.8 3.3 919 607 B 884 PRO HG3 B 884 PRO HD2 1.0 1.8 3.3 920 607 B 884 PRO HD3 B 884 PRO HG3 1.0 1.8 3.3 921 608 B 884 PRO HD3 B 884 PRO HG2 1.0 1.8 3.3 922 608 B 884 PRO HD2 B 884 PRO HG2 1.0 1.8 3.3 923 608 B 884 PRO HG3 B 884 PRO HD2 1.0 1.8 3.3 924 608 B 884 PRO HD3 B 884 PRO HG3 1.0 1.8 3.3 925 609 B 883 ILE HG2% B 884 PRO HD2 1.0 1.8 3.3 926 609 B 883 ILE HG2% B 884 PRO HD3 1.0 1.8 3.3 927 610 B 879 LEU HA B 880 PRO HD2 1.0 1.8 2.8 928 610 B 879 LEU HA B 880 PRO HD3 1.0 1.8 2.8 929 611 B 880 PRO HD2 B 880 PRO HG2 1.0 1.8 3.3 930 611 B 880 PRO HG3 B 880 PRO HD2 1.0 1.8 3.3 931 611 B 880 PRO HD3 B 880 PRO HG3 1.0 1.8 3.3 932 611 B 880 PRO HD3 B 880 PRO HG2 1.0 1.8 3.3 933 612 B 880 PRO HD2 B 880 PRO HG2 1.0 1.8 3.3 934 612 B 880 PRO HD3 B 880 PRO HG2 1.0 1.8 3.3 935 612 B 880 PRO HG3 B 880 PRO HD2 1.0 1.8 3.3 936 612 B 880 PRO HD3 B 880 PRO HG3 1.0 1.8 3.3 937 613 B 890 LEU HA B 891 PRO HD2 1.0 1.8 2.8 938 613 B 891 PRO HD3 B 890 LEU HA 1.0 1.8 2.8 939 614 B 891 PRO HD3 B 891 PRO HG2 1.0 1.8 3.3 940 614 B 891 PRO HD2 B 891 PRO HG2 1.0 1.8 3.3 941 614 B 891 PRO HG3 B 891 PRO HD2 1.0 1.8 3.3 942 614 B 891 PRO HD3 B 891 PRO HG3 1.0 1.8 3.3 943 615 A 527 VAL HG1% B 891 PRO HD2 1.0 1.8 4.2 944 615 A 527 VAL HG1% B 891 PRO HD3 1.0 1.8 4.2 945 616 B 890 LEU HB2 B 891 PRO HD2 1.0 1.8 4.2 946 616 B 890 LEU HB3 B 891 PRO HD2 1.0 1.8 4.2 947 616 B 891 PRO HD3 B 890 LEU HB2 1.0 1.8 4.2 948 616 B 890 LEU HB3 B 891 PRO HD3 1.0 1.8 4.2 949 617 B 890 LEU HD2% B 891 PRO HD2 1.0 1.8 4.2 950 617 B 891 PRO HD3 B 890 LEU HD2% 1.0 1.8 4.2 951 618 B 883 ILE HA B 884 PRO HD2 1.0 1.8 2.8 952 618 B 884 PRO HD3 B 883 ILE HA 1.0 1.8 2.8 953 619 B 884 PRO HD3 B 884 PRO HG2 1.0 1.8 3.3 954 619 B 884 PRO HD2 B 884 PRO HG2 1.0 1.8 3.3 955 619 B 884 PRO HG3 B 884 PRO HD2 1.0 1.8 3.3 956 619 B 884 PRO HD3 B 884 PRO HG3 1.0 1.8 3.3 957 620 B 884 PRO HD3 B 884 PRO HG2 1.0 1.8 3.3 958 620 B 884 PRO HD2 B 884 PRO HG2 1.0 1.8 3.3 959 620 B 884 PRO HG3 B 884 PRO HD2 1.0 1.8 3.3 960 620 B 884 PRO HD3 B 884 PRO HG3 1.0 1.8 3.3 961 621 B 883 ILE HG2% B 884 PRO HD2 1.0 1.8 3.3 962 621 B 883 ILE HG2% B 884 PRO HD3 1.0 1.8 3.3 963 622 A 550 LEU HA A 550 LEU HD2% 1.0 1.8 2.8 964 623 A 550 LEU HA A 550 LEU HB2 1.0 1.8 3.3 965 623 A 550 LEU HB3 A 550 LEU HA 1.0 1.8 3.3 966 624 A 550 LEU HA A 550 LEU HB2 1.0 1.8 4.2 967 624 A 550 LEU HB3 A 550 LEU HA 1.0 1.8 4.2 968 625 A 550 LEU HG A 550 LEU HA 1.0 1.8 4.2 969 626 A 550 LEU H A 550 LEU HA 1.0 1.8 3.3 970 627 A 551 ASP H A 550 LEU HA 1.0 1.8 2.8 971 628 A 566 GLY H A 566 GLY HA2 1.0 1.8 2.8 972 628 A 566 GLY H A 566 GLY HA3 1.0 1.8 2.8 973 629 A 567 THR H A 566 GLY HA2 1.0 1.8 3.3 974 629 A 566 GLY HA3 A 567 THR H 1.0 1.8 3.3 975 630 A 558 LEU HG A 558 LEU HB2 1.0 1.8 3.3 976 630 A 558 LEU HB3 A 558 LEU HG 1.0 1.8 3.3 977 631 A 555 VAL HA A 558 LEU HB2 1.0 1.8 3.3 978 631 A 558 LEU HB3 A 555 VAL HA 1.0 1.8 3.3 979 632 A 558 LEU HA A 558 LEU HB2 1.0 1.8 3.3 980 632 A 558 LEU HA A 558 LEU HB3 1.0 1.8 3.3 981 633 A 558 LEU H A 558 LEU HB2 1.0 1.8 3.3 982 633 A 558 LEU H A 558 LEU HB3 1.0 1.8 3.3 983 634 A 559 GLN H A 558 LEU HB2 1.0 1.8 3.3 984 634 A 558 LEU HB3 A 559 GLN H 1.0 1.8 3.3 985 635 B 883 ILE HB B 883 ILE HD1% 1.0 1.8 3.3 986 636 B 883 ILE HB B 883 ILE HG2% 1.0 1.8 3.3 987 637 B 883 ILE HB B 883 ILE HG12 1.0 1.8 4.2 988 637 B 883 ILE HB B 883 ILE HG13 1.0 1.8 4.2 989 638 B 883 ILE HB B 883 ILE HG12 1.0 1.8 3.3 990 638 B 883 ILE HB B 883 ILE HG13 1.0 1.8 3.3 991 639 B 883 ILE HB A 543 PHE HB2 1.0 1.8 3.3 992 639 A 543 PHE HB3 B 883 ILE HB 1.0 1.8 3.3 993 640 B 883 ILE H B 883 ILE HB 1.0 1.8 3.3 994 641 B 883 ILE HB A 543 PHE H 1.0 1.8 4.2 995 642 B 883 ILE HB B 883 ILE HA 1.0 1.8 4.2 996 643 A 536 PHE HA A 536 PHE HB2 1.0 1.8 3.3 997 643 A 536 PHE HA A 536 PHE HB3 1.0 1.8 3.3 998 644 A 536 PHE HB2 A 545 PHE HB2 1.0 1.8 4.2 999 644 A 536 PHE HB3 A 545 PHE HB2 1.0 1.8 4.2 1000 644 A 545 PHE HB3 A 536 PHE HB2 1.0 1.8 4.2 1001 644 A 536 PHE HB3 A 545 PHE HB3 1.0 1.8 4.2 1002 645 A 536 PHE HD% A 536 PHE HB2 1.0 1.8 3.3 1003 645 A 536 PHE HD% A 536 PHE HB3 1.0 1.8 3.3 1004 646 A 537 HIS H A 536 PHE HB2 1.0 1.8 3.3 1005 646 A 537 HIS H A 536 PHE HB3 1.0 1.8 3.3 1006 647 A 507 LEU HA A 510 LEU HB2 1.0 1.8 4.2 1007 647 A 507 LEU HA A 510 LEU HB3 1.0 1.8 4.2 1008 648 A 510 LEU HA A 510 LEU HB2 1.0 1.8 4.2 1009 648 A 510 LEU HB3 A 510 LEU HA 1.0 1.8 4.2 1010 649 A 510 LEU H A 510 LEU HB2 1.0 1.8 3.3 1011 649 A 510 LEU H A 510 LEU HB3 1.0 1.8 3.3 1012 650 A 511 HIS H A 510 LEU HB2 1.0 1.8 4.2 1013 650 A 511 HIS H A 510 LEU HB3 1.0 1.8 4.2 1014 651 A 510 LEU HD1% A 510 LEU HB2 1.0 1.8 3.3 1015 651 A 510 LEU HB3 A 510 LEU HD1% 1.0 1.8 3.3 1016 652 A 547 LEU HA A 547 LEU HB2 1.0 1.8 4.2 1017 652 A 547 LEU HA A 547 LEU HB3 1.0 1.8 4.2 1018 653 A 547 LEU H A 547 LEU HB2 1.0 1.8 3.3 1019 653 A 547 LEU H A 547 LEU HB3 1.0 1.8 3.3 1020 654 A 548 CYS H A 547 LEU HB2 1.0 1.8 4.2 1021 654 A 548 CYS H A 547 LEU HB3 1.0 1.8 4.2 1022 655 A 529 LEU HG A 529 LEU HB2 1.0 1.8 3.3 1023 655 A 529 LEU HB3 A 529 LEU HG 1.0 1.8 3.3 1024 656 A 526 ILE HA A 529 LEU HB2 1.0 1.8 4.2 1025 656 A 529 LEU HB3 A 526 ILE HA 1.0 1.8 4.2 1026 657 A 529 LEU HA A 529 LEU HB2 1.0 1.8 3.3 1027 657 A 529 LEU HB3 A 529 LEU HA 1.0 1.8 3.3 1028 658 A 561 TYR HE% A 529 LEU HB2 1.0 1.8 4.2 1029 658 A 529 LEU HB3 A 561 TYR HE% 1.0 1.8 4.2 1030 659 A 529 LEU H A 529 LEU HB2 1.0 1.8 3.3 1031 659 A 529 LEU H A 529 LEU HB3 1.0 1.8 3.3 1032 660 A 530 ILE H A 529 LEU HB2 1.0 1.8 3.3 1033 660 A 530 ILE H A 529 LEU HB3 1.0 1.8 3.3 1034 661 A 550 LEU HG A 550 LEU HB2 1.0 1.8 4.2 1035 661 A 550 LEU HG A 550 LEU HB3 1.0 1.8 4.2 1036 662 A 554 THR HB A 550 LEU HB2 1.0 1.8 4.2 1037 662 A 550 LEU HB3 A 554 THR HB 1.0 1.8 4.2 1038 663 A 550 LEU HA A 550 LEU HB2 1.0 1.8 4.2 1039 663 A 550 LEU HB3 A 550 LEU HA 1.0 1.8 4.2 1040 664 A 550 LEU H A 550 LEU HB2 1.0 1.8 4.2 1041 664 A 550 LEU H A 550 LEU HB3 1.0 1.8 4.2 1042 665 A 551 ASP H A 550 LEU HB2 1.0 1.8 4.2 1043 665 A 551 ASP H A 550 LEU HB3 1.0 1.8 4.2 1044 666 A 515 MET H A 514 LEU HB2 1.0 1.8 4.2 1045 666 A 514 LEU HB3 A 515 MET H 1.0 1.8 4.2 1046 667 A 514 LEU H A 514 LEU HB2 1.0 1.8 3.3 1047 667 A 514 LEU H A 514 LEU HB3 1.0 1.8 3.3 1048 668 A 514 LEU HA A 514 LEU HB2 1.0 1.8 4.2 1049 668 A 514 LEU HB3 A 514 LEU HA 1.0 1.8 4.2 1050 669 A 511 HIS HA A 514 LEU HB2 1.0 1.8 4.2 1051 669 A 511 HIS HA A 514 LEU HB3 1.0 1.8 4.2 1052 670 A 517 LEU HD1% A 517 LEU HB2 1.0 1.8 3.3 1053 670 A 517 LEU HB3 A 517 LEU HD1% 1.0 1.8 3.3 1054 671 A 514 LEU HA A 517 LEU HB2 1.0 1.8 4.2 1055 671 A 514 LEU HA A 517 LEU HB3 1.0 1.8 4.2 1056 672 A 517 LEU HA A 517 LEU HB2 1.0 1.8 4.2 1057 672 A 517 LEU HB3 A 517 LEU HA 1.0 1.8 4.2 1058 673 A 517 LEU H A 517 LEU HB2 1.0 1.8 3.3 1059 673 A 517 LEU H A 517 LEU HB3 1.0 1.8 3.3 1060 674 A 562 LEU HA A 562 LEU HB2 1.0 1.8 3.3 1061 674 A 562 LEU HB3 A 562 LEU HA 1.0 1.8 3.3 1062 675 A 562 LEU H A 562 LEU HB2 1.0 1.8 3.3 1063 675 A 562 LEU HB3 A 562 LEU H 1.0 1.8 3.3 1064 676 A 547 LEU HA A 547 LEU HB2 1.0 1.8 3.3 1065 676 A 547 LEU HA A 547 LEU HB3 1.0 1.8 3.3 1066 677 A 547 LEU H A 547 LEU HB2 1.0 1.8 4.2 1067 677 A 547 LEU H A 547 LEU HB3 1.0 1.8 4.2 1068 678 A 558 LEU HG A 558 LEU HB2 1.0 1.8 3.3 1069 678 A 558 LEU HB3 A 558 LEU HG 1.0 1.8 3.3 1070 679 A 558 LEU HA A 558 LEU HB2 1.0 1.8 3.3 1071 679 A 558 LEU HA A 558 LEU HB3 1.0 1.8 3.3 1072 680 A 555 VAL HA A 558 LEU HB2 1.0 1.8 4.2 1073 680 A 558 LEU HB3 A 555 VAL HA 1.0 1.8 4.2 1074 681 A 558 LEU H A 558 LEU HB2 1.0 1.8 3.3 1075 681 A 558 LEU H A 558 LEU HB3 1.0 1.8 3.3 1076 682 A 559 GLN H A 558 LEU HB2 1.0 1.8 4.2 1077 682 A 558 LEU HB3 A 559 GLN H 1.0 1.8 4.2 1078 683 A 547 LEU HB2 B 879 LEU HB2 1.0 1.8 3.3 1079 683 A 547 LEU HB3 B 879 LEU HB2 1.0 1.8 3.3 1080 683 B 879 LEU HB3 A 547 LEU HB2 1.0 1.8 3.3 1081 683 B 879 LEU HB3 A 547 LEU HB3 1.0 1.8 3.3 1082 684 B 879 LEU HD1% B 879 LEU HB2 1.0 1.8 3.3 1083 684 B 879 LEU HB3 B 879 LEU HD1% 1.0 1.8 3.3 1084 685 B 879 LEU HD2% B 879 LEU HB2 1.0 1.8 4.2 1085 685 B 879 LEU HB3 B 879 LEU HD2% 1.0 1.8 4.2 1086 686 B 879 LEU HA B 879 LEU HB2 1.0 1.8 4.2 1087 686 B 879 LEU HA B 879 LEU HB3 1.0 1.8 4.2 1088 687 B 879 LEU H B 879 LEU HB2 1.0 1.8 4.2 1089 687 B 879 LEU H B 879 LEU HB3 1.0 1.8 4.2 1090 688 A 547 LEU H B 879 LEU HB2 1.0 1.8 4.2 1091 688 A 547 LEU H B 879 LEU HB3 1.0 1.8 4.2 1092 689 B 890 LEU HD2% B 890 LEU HB2 1.0 1.8 4.2 1093 689 B 890 LEU HB3 B 890 LEU HD2% 1.0 1.8 4.2 1094 690 B 890 LEU HB2 B 891 PRO HD2 1.0 1.8 4.2 1095 690 B 890 LEU HB3 B 891 PRO HD2 1.0 1.8 4.2 1096 690 B 891 PRO HD3 B 890 LEU HB2 1.0 1.8 4.2 1097 690 B 890 LEU HB3 B 891 PRO HD3 1.0 1.8 4.2 1098 691 B 890 LEU HA B 890 LEU HB2 1.0 1.8 4.2 1099 691 B 890 LEU HB3 B 890 LEU HA 1.0 1.8 4.2 1100 692 B 890 LEU H B 890 LEU HB2 1.0 1.8 3.3 1101 692 B 890 LEU HB3 B 890 LEU H 1.0 1.8 3.3 1102 693 B 890 LEU HA B 890 LEU HB2 1.0 1.8 3.3 1103 693 B 890 LEU HB3 B 890 LEU HA 1.0 1.8 3.3 1104 694 B 890 LEU H B 890 LEU HB2 1.0 1.8 4.2 1105 694 B 890 LEU HB3 B 890 LEU H 1.0 1.8 4.2 1106 695 B 890 LEU HD2% B 890 LEU HB2 1.0 1.8 4.2 1107 695 B 890 LEU HB3 B 890 LEU HD2% 1.0 1.8 4.2 1108 696 B 890 LEU HB2 B 891 PRO HD2 1.0 1.8 4.2 1109 696 B 890 LEU HB3 B 891 PRO HD2 1.0 1.8 4.2 1110 696 B 891 PRO HD3 B 890 LEU HB2 1.0 1.8 4.2 1111 696 B 890 LEU HB3 B 891 PRO HD3 1.0 1.8 4.2 1112 697 A 514 LEU HA A 514 LEU HB2 1.0 1.8 3.3 1113 697 A 514 LEU HB3 A 514 LEU HA 1.0 1.8 3.3 1114 698 A 514 LEU H A 514 LEU HB2 1.0 1.8 3.3 1115 698 A 514 LEU H A 514 LEU HB3 1.0 1.8 3.3 1116 699 A 561 TYR HA A 561 TYR HB2 1.0 1.8 4.2 1117 699 A 561 TYR HB3 A 561 TYR HA 1.0 1.8 4.2 1118 700 A 561 TYR HD% A 561 TYR HB2 1.0 1.8 4.2 1119 700 A 561 TYR HB3 A 561 TYR HD% 1.0 1.8 4.2 1120 701 A 562 LEU H A 561 TYR HB2 1.0 1.8 4.2 1121 701 A 561 TYR HB3 A 562 LEU H 1.0 1.8 4.2 1122 702 A 561 TYR H A 561 TYR HB2 1.0 1.8 4.2 1123 702 A 561 TYR HB3 A 561 TYR H 1.0 1.8 4.2 1124 703 A 561 TYR H A 561 TYR HB2 1.0 1.8 4.2 1125 703 A 561 TYR HB3 A 561 TYR H 1.0 1.8 4.2 1126 704 A 562 LEU H A 561 TYR HB2 1.0 1.8 4.2 1127 704 A 561 TYR HB3 A 562 LEU H 1.0 1.8 4.2 1128 705 A 561 TYR HD% A 561 TYR HB2 1.0 1.8 4.2 1129 705 A 561 TYR HB3 A 561 TYR HD% 1.0 1.8 4.2 1130 706 A 561 TYR HA A 561 TYR HB2 1.0 1.8 4.2 1131 706 A 561 TYR HB3 A 561 TYR HA 1.0 1.8 4.2 1132 707 A 503 TYR HD% A 503 TYR HB2 1.0 1.8 3.3 1133 707 A 503 TYR HB3 A 503 TYR HD% 1.0 1.8 3.3 1134 708 A 503 TYR H A 503 TYR HB2 1.0 1.8 3.3 1135 708 A 503 TYR HB3 A 503 TYR H 1.0 1.8 3.3 1136 709 A 504 LEU H A 503 TYR HB2 1.0 1.8 4.2 1137 709 A 503 TYR HB3 A 504 LEU H 1.0 1.8 4.2 1138 710 A 503 TYR HA A 503 TYR HB2 1.0 1.8 3.3 1139 710 A 503 TYR HB3 A 503 TYR HA 1.0 1.8 3.3 1140 711 A 545 PHE HA A 545 PHE HB2 1.0 1.8 3.3 1141 711 A 545 PHE HA A 545 PHE HB3 1.0 1.8 3.3 1142 712 A 545 PHE HD% A 545 PHE HB2 1.0 1.8 3.3 1143 712 A 545 PHE HB3 A 545 PHE HD% 1.0 1.8 3.3 1144 713 A 530 ILE HD1% A 545 PHE HB2 1.0 1.8 4.2 1145 713 A 530 ILE HD1% A 545 PHE HB3 1.0 1.8 4.2 1146 714 B 883 ILE HB A 543 PHE HB2 1.0 1.8 3.3 1147 714 A 543 PHE HB3 B 883 ILE HB 1.0 1.8 3.3 1148 715 A 543 PHE HA A 543 PHE HB2 1.0 1.8 4.2 1149 715 A 543 PHE HB3 A 543 PHE HA 1.0 1.8 4.2 1150 716 A 543 PHE HD% A 543 PHE HB2 1.0 1.8 3.3 1151 716 A 543 PHE HB3 A 543 PHE HD% 1.0 1.8 3.3 1152 717 A 543 PHE H A 543 PHE HB2 1.0 1.8 4.2 1153 717 A 543 PHE HB3 A 543 PHE H 1.0 1.8 4.2 1154 718 A 545 PHE HD% A 545 PHE HB2 1.0 1.8 3.3 1155 718 A 545 PHE HB3 A 545 PHE HD% 1.0 1.8 3.3 1156 719 A 545 PHE HA A 545 PHE HB2 1.0 1.8 3.3 1157 719 A 545 PHE HA A 545 PHE HB3 1.0 1.8 3.3 1158 720 B 877 ASN HA B 877 ASN HB2 1.0 1.8 2.8 1159 720 B 877 ASN HA B 877 ASN HB3 1.0 1.8 2.8 1160 721 B 878 LYS H B 877 ASN HB2 1.0 1.8 4.2 1161 721 B 878 LYS H B 877 ASN HB3 1.0 1.8 4.2 1162 722 B 877 ASN H B 877 ASN HB2 1.0 1.8 4.2 1163 722 B 877 ASN HB3 B 877 ASN H 1.0 1.8 4.2 1164 723 A 543 PHE HD% A 543 PHE HB2 1.0 1.8 3.3 1165 723 A 543 PHE HB3 A 543 PHE HD% 1.0 1.8 3.3 1166 724 A 543 PHE H A 543 PHE HB2 1.0 1.8 4.2 1167 724 A 543 PHE HB3 A 543 PHE H 1.0 1.8 4.2 1168 725 A 543 PHE HA A 543 PHE HB2 1.0 1.8 4.2 1169 725 A 543 PHE HB3 A 543 PHE HA 1.0 1.8 4.2 1170 726 B 883 ILE HB A 543 PHE HB2 1.0 1.8 4.2 1171 726 A 543 PHE HB3 B 883 ILE HB 1.0 1.8 4.2 1172 727 B 885 LEU HD2% A 543 PHE HB2 1.0 1.8 3.3 1173 727 A 543 PHE HB3 B 885 LEU HD2% 1.0 1.8 3.3 1174 728 A 536 PHE HD% A 534 GLY HA2 1.0 1.8 4.2 1175 728 A 536 PHE HD% A 534 GLY HA3 1.0 1.8 4.2 1176 729 A 534 GLY H A 534 GLY HA2 1.0 1.8 3.3 1177 729 A 534 GLY H A 534 GLY HA3 1.0 1.8 3.3 1178 730 A 535 HIS H A 534 GLY HA2 1.0 1.8 4.2 1179 730 A 535 HIS H A 534 GLY HA3 1.0 1.8 4.2 1180 731 B 890 LEU HA B 891 PRO HD2 1.0 1.8 2.8 1181 731 B 891 PRO HD3 B 890 LEU HA 1.0 1.8 2.8 1182 732 B 890 LEU HA B 891 PRO HD2 1.0 1.8 3.3 1183 732 B 891 PRO HD3 B 890 LEU HA 1.0 1.8 3.3 1184 733 B 890 LEU HA B 890 LEU HB2 1.0 1.8 3.3 1185 733 B 890 LEU HB3 B 890 LEU HA 1.0 1.8 3.3 1186 734 B 890 LEU HD2% B 890 LEU HA 1.0 1.8 3.3 1187 735 A 527 VAL HG1% B 890 LEU HA 1.0 1.8 4.2 1188 736 B 886 ALA HA B 886 ALA HB% 1.0 1.8 2.8 1189 737 B 886 ALA HA B 888 VAL H 1.0 1.8 4.2 1190 738 B 887 SER H B 886 ALA HA 1.0 1.8 4.2 1191 739 B 886 ALA H B 886 ALA HA 1.0 1.8 3.3 1192 740 A 518 ARG HA A 523 LEU HD1% 1.0 1.8 4.2 1193 741 A 518 ARG HA A 518 ARG HB2 1.0 1.8 3.3 1194 741 A 518 ARG HA A 518 ARG HB3 1.0 1.8 3.3 1195 742 A 518 ARG HA A 518 ARG HD2 1.0 1.8 3.3 1196 742 A 518 ARG HA A 518 ARG HD3 1.0 1.8 3.3 1197 743 A 519 GLU H A 518 ARG HA 1.0 1.8 4.2 1198 744 A 518 ARG H A 518 ARG HA 1.0 1.8 4.2 1199 745 A 502 ALA HA A 505 ASP HB2 1.0 1.8 3.3 1200 745 A 502 ALA HA A 505 ASP HB3 1.0 1.8 3.3 1201 746 A 502 ALA HA A 505 ASP HB2 1.0 1.8 4.2 1202 746 A 502 ALA HA A 505 ASP HB3 1.0 1.8 4.2 1203 747 A 502 ALA HB% A 502 ALA HA 1.0 1.8 2.8 1204 748 A 502 ALA H A 502 ALA HA 1.0 1.8 3.3 1205 749 B 877 ASN HA B 877 ASN HB2 1.0 1.8 2.8 1206 749 B 877 ASN HA B 877 ASN HB3 1.0 1.8 2.8 1207 750 A 535 HIS HA A 536 PHE H 1.0 1.8 3.3 1208 751 A 535 HIS H A 535 HIS HA 1.0 1.8 3.3 1209 752 A 535 HIS HA A 535 HIS HB2 1.0 1.8 3.3 1210 752 A 535 HIS HB3 A 535 HIS HA 1.0 1.8 3.3 1211 753 A 546 ASP HA A 546 ASP HB2 1.0 1.8 3.3 1212 753 A 546 ASP HA A 546 ASP HB3 1.0 1.8 3.3 1213 754 A 546 ASP HA A 547 LEU HB2 1.0 1.8 4.2 1214 754 A 546 ASP HA A 547 LEU HB3 1.0 1.8 4.2 1215 755 A 546 ASP HA A 546 ASP HB2 1.0 1.8 3.3 1216 755 A 546 ASP HA A 546 ASP HB3 1.0 1.8 3.3 1217 756 A 546 ASP HA B 880 PRO HA 1.0 1.8 2.8 1218 757 A 547 LEU H A 546 ASP HA 1.0 1.8 2.8 1219 758 A 534 GLY H A 534 GLY HA2 1.0 1.8 2.8 1220 758 A 534 GLY H A 534 GLY HA3 1.0 1.8 2.8 1221 759 A 535 HIS H A 534 GLY HA2 1.0 1.8 4.2 1222 759 A 535 HIS H A 534 GLY HA3 1.0 1.8 4.2 1223 760 A 527 VAL HG1% B 890 LEU HA 1.0 1.8 4.2 1224 761 A 527 VAL HG1% A 528 ASN HA 1.0 1.8 4.2 1225 762 A 527 VAL HG1% B 891 PRO HD2 1.0 1.8 3.3 1226 762 A 527 VAL HG1% B 891 PRO HD3 1.0 1.8 3.3 1227 763 A 527 VAL HA A 527 VAL HG1% 1.0 1.8 3.3 1228 764 B 888 VAL HB A 527 VAL HG1% 1.0 1.8 3.3 1229 765 A 527 VAL HB A 527 VAL HG1% 1.0 1.8 2.8 1230 766 B 888 VAL HG2% A 527 VAL HG1% 1.0 1.8 3.3 1231 767 A 527 VAL HG2% A 527 VAL HG1% 1.0 1.8 2.8 1232 768 A 527 VAL HG1% A 528 ASN H 1.0 1.8 4.2 1233 769 A 530 ILE HG2% A 530 ILE HG12 1.0 1.8 2.8 1234 769 A 530 ILE HG13 A 530 ILE HG2% 1.0 1.8 2.8 1235 770 A 530 ILE HG2% A 529 LEU HD1% 1.0 1.8 2.8 1236 771 A 530 ILE HG2% A 530 ILE HG12 1.0 1.8 2.8 1237 771 A 530 ILE HG13 A 530 ILE HG2% 1.0 1.8 2.8 1238 772 A 530 ILE HG2% A 530 ILE HA 1.0 1.8 2.8 1239 773 A 529 LEU H A 530 ILE HG2% 1.0 1.8 4.2 1240 774 A 530 ILE H A 530 ILE HG2% 1.0 1.8 3.3 1241 775 A 531 GLU H A 530 ILE HG2% 1.0 1.8 5.5 1242 776 B 881 VAL HA B 881 VAL HB 1.0 1.8 4.2 1243 777 B 881 VAL HB B 882 SER H 1.0 1.8 5.5 1244 778 A 545 PHE H B 881 VAL HB 1.0 1.8 4.2 1245 779 B 881 VAL H B 881 VAL HB 1.0 1.8 3.3 1246 780 A 527 VAL HG2% A 527 VAL HG1% 1.0 1.8 2.8 1247 781 A 527 VAL HB A 527 VAL HG2% 1.0 1.8 2.8 1248 782 B 888 VAL HB A 527 VAL HG2% 1.0 1.8 3.3 1249 783 A 527 VAL HG2% B 883 ILE HD1% 1.0 1.8 2.8 1250 784 A 527 VAL HA A 527 VAL HG2% 1.0 1.8 2.8 1251 785 A 524 GLN HA A 527 VAL HG2% 1.0 1.8 3.3 1252 786 A 527 VAL H A 527 VAL HG2% 1.0 1.8 2.8 1253 787 B 889 VAL H A 527 VAL HG2% 1.0 1.8 5.5 1254 788 B 879 LEU HD2% B 879 LEU HG 1.0 1.8 2.8 1255 789 B 879 LEU HD2% B 879 LEU HB2 1.0 1.8 3.3 1256 789 B 879 LEU HB3 B 879 LEU HD2% 1.0 1.8 3.3 1257 790 B 879 LEU HD2% B 879 LEU HB2 1.0 1.8 2.8 1258 790 B 879 LEU HB3 B 879 LEU HD2% 1.0 1.8 2.8 1259 791 B 879 LEU HD2% A 547 LEU HB2 1.0 1.8 4.2 1260 791 B 879 LEU HD2% A 547 LEU HB3 1.0 1.8 4.2 1261 792 B 879 LEU HD2% A 511 HIS HB2 1.0 1.8 3.3 1262 792 B 879 LEU HD2% A 511 HIS HB3 1.0 1.8 3.3 1263 793 B 879 LEU HD2% A 508 VAL HA 1.0 1.8 3.3 1264 794 B 879 LEU HA B 879 LEU HD2% 1.0 1.8 2.8 1265 795 B 879 LEU HD2% A 511 HIS HD2 1.0 1.8 4.2 1266 795 B 879 LEU HD2% A 511 HIS HD1 1.0 1.8 4.2 1267 796 B 879 LEU H B 879 LEU HD2% 1.0 1.8 4.2 1268 797 B 879 LEU HD2% A 512 ARG H 1.0 1.8 4.2 1269 798 B 879 LEU HD2% A 511 HIS HE1 1.0 1.8 4.2 1270 799 B 879 LEU HD2% A 511 HIS H 1.0 1.8 4.2 1271 800 B 888 VAL HG1% A 527 VAL HG1% 1.0 1.8 4.2 1272 801 B 888 VAL HG1% A 523 LEU HG 1.0 1.8 4.2 1273 802 B 888 VAL HG1% A 523 LEU HB2 1.0 1.8 3.3 1274 802 B 888 VAL HG1% A 523 LEU HB3 1.0 1.8 3.3 1275 803 B 888 VAL HG1% A 527 VAL HB 1.0 1.8 4.2 1276 804 B 888 VAL HA B 888 VAL HG1% 1.0 1.8 2.8 1277 805 B 888 VAL HG1% A 524 GLN HA 1.0 1.8 3.3 1278 806 B 888 VAL HG1% A 523 LEU HA 1.0 1.8 4.2 1279 807 B 888 VAL H B 888 VAL HG1% 1.0 1.8 3.3 1280 808 B 888 VAL HG1% A 524 GLN H 1.0 1.8 4.2 1281 809 B 889 VAL H B 888 VAL HG1% 1.0 1.8 3.3 1282 810 B 888 VAL HG2% B 885 LEU HA 1.0 1.8 2.8 1283 811 B 888 VAL H B 888 VAL HG2% 1.0 1.8 2.8 1284 812 B 888 VAL HG2% B 889 VAL H 1.0 1.8 3.3 1285 813 B 888 VAL HG2% A 527 VAL HG1% 1.0 1.8 3.3 1286 814 B 888 VAL HG2% B 888 VAL HB 1.0 1.8 2.8 1287 815 B 888 VAL HG2% B 888 VAL HA 1.0 1.8 3.3 1288 816 A 530 ILE HD1% A 530 ILE HA 1.0 1.8 4.2 1289 817 A 530 ILE HD1% A 545 PHE HB2 1.0 1.8 3.3 1290 817 A 530 ILE HD1% A 545 PHE HB3 1.0 1.8 3.3 1291 818 A 530 ILE HD1% A 545 PHE HB2 1.0 1.8 3.3 1292 818 A 530 ILE HD1% A 545 PHE HB3 1.0 1.8 3.3 1293 819 A 530 ILE HD1% A 536 PHE HB2 1.0 1.8 3.3 1294 819 A 530 ILE HD1% A 536 PHE HB3 1.0 1.8 3.3 1295 820 A 530 ILE HD1% A 530 ILE HB 1.0 1.8 2.8 1296 821 A 530 ILE HD1% A 530 ILE HG12 1.0 1.8 3.3 1297 821 A 530 ILE HD1% A 530 ILE HG13 1.0 1.8 3.3 1298 822 A 530 ILE HD1% A 530 ILE HG12 1.0 1.8 3.3 1299 822 A 530 ILE HD1% A 530 ILE HG13 1.0 1.8 3.3 1300 823 A 530 ILE HD1% A 530 ILE H 1.0 1.8 4.2 1301 824 A 530 ILE HD1% A 536 PHE HA 1.0 1.8 4.2 1302 825 A 530 ILE HD1% A 531 GLU HA 1.0 1.8 4.2 1303 826 A 530 ILE H A 526 ILE HG2% 1.0 1.8 4.2 1304 827 A 527 VAL H A 526 ILE HG2% 1.0 1.8 3.3 1305 828 A 526 ILE HG2% A 523 LEU HA 1.0 1.8 4.2 1306 829 A 526 ILE HA A 526 ILE HG2% 1.0 1.8 3.3 1307 830 A 526 ILE HB A 526 ILE HG2% 1.0 1.8 2.8 1308 831 A 526 ILE HG2% A 530 ILE HG12 1.0 1.8 3.3 1309 831 A 530 ILE HG13 A 526 ILE HG2% 1.0 1.8 3.3 1310 832 A 526 ILE HG2% A 530 ILE HG12 1.0 1.8 3.3 1311 832 A 530 ILE HG13 A 526 ILE HG2% 1.0 1.8 3.3 1312 833 A 527 VAL HA A 526 ILE HG2% 1.0 1.8 4.2 1313 834 A 522 ILE HB A 522 ILE HG2% 1.0 1.8 2.8 1314 835 A 522 ILE HG2% A 525 GLN HG2 1.0 1.8 4.2 1315 835 A 525 GLN HG3 A 522 ILE HG2% 1.0 1.8 4.2 1316 836 A 522 ILE HG2% A 561 TYR HB2 1.0 1.8 3.3 1317 836 A 561 TYR HB3 A 522 ILE HG2% 1.0 1.8 3.3 1318 837 A 522 ILE HA A 522 ILE HG2% 1.0 1.8 2.8 1319 838 A 562 LEU HA A 522 ILE HG2% 1.0 1.8 4.2 1320 839 A 561 TYR HE% A 522 ILE HG2% 1.0 1.8 5.5 1321 840 A 561 TYR HD% A 522 ILE HG2% 1.0 1.8 4.2 1322 841 A 525 GLN H A 522 ILE HG2% 1.0 1.8 4.2 1323 842 A 523 LEU H A 522 ILE HG2% 1.0 1.8 3.3 1324 843 A 526 ILE H A 522 ILE HG2% 1.0 1.8 4.2 1325 844 A 524 GLN H A 522 ILE HG2% 1.0 1.8 5.5 1326 845 A 526 ILE HA A 522 ILE HG2% 1.0 1.8 5.5 1327 846 A 561 TYR HD% A 526 ILE HD1% 1.0 1.8 4.2 1328 847 A 561 TYR HE% A 526 ILE HD1% 1.0 1.8 5.5 1329 848 A 525 GLN H A 526 ILE HD1% 1.0 1.8 5.5 1330 849 A 523 LEU H A 526 ILE HD1% 1.0 1.8 4.2 1331 850 A 522 ILE HD1% A 522 ILE HG12 1.0 1.8 2.8 1332 850 A 522 ILE HG13 A 522 ILE HD1% 1.0 1.8 2.8 1333 851 A 522 ILE HB A 522 ILE HD1% 1.0 1.8 3.3 1334 852 A 522 ILE HD1% A 525 GLN HG2 1.0 1.8 3.3 1335 852 A 522 ILE HD1% A 525 GLN HG3 1.0 1.8 3.3 1336 853 A 522 ILE HD1% A 519 GLU HG2 1.0 1.8 3.3 1337 853 A 519 GLU HG3 A 522 ILE HD1% 1.0 1.8 3.3 1338 854 A 522 ILE HA A 522 ILE HD1% 1.0 1.8 3.3 1339 855 A 562 LEU HA A 522 ILE HD1% 1.0 1.8 4.2 1340 856 A 522 ILE HD1% A 521 HIS HA 1.0 1.8 4.2 1341 857 A 561 TYR HE% A 522 ILE HD1% 1.0 1.8 5.5 1342 858 A 523 LEU H A 522 ILE HD1% 1.0 1.8 4.2 1343 859 A 526 ILE H A 522 ILE HD1% 1.0 1.8 5.5 1344 860 A 522 ILE HD1% A 521 HIS HE1 1.0 1.8 5.5 1345 861 A 522 ILE HD1% A 561 TYR HB2 1.0 1.8 4.2 1346 861 A 561 TYR HB3 A 522 ILE HD1% 1.0 1.8 4.2 1347 862 B 883 ILE HD1% B 883 ILE HG12 1.0 1.8 2.8 1348 862 B 883 ILE HG13 B 883 ILE HD1% 1.0 1.8 2.8 1349 863 B 883 ILE HD1% B 883 ILE HG12 1.0 1.8 2.8 1350 863 B 883 ILE HG13 B 883 ILE HD1% 1.0 1.8 2.8 1351 864 B 883 ILE HB B 883 ILE HD1% 1.0 1.8 3.3 1352 865 A 527 VAL HG2% B 883 ILE HD1% 1.0 1.8 2.8 1353 866 A 527 VAL HG1% B 883 ILE HD1% 1.0 1.8 4.2 1354 867 B 881 VAL HG1% B 883 ILE HD1% 1.0 1.8 3.3 1355 868 B 883 ILE HD1% A 543 PHE HB2 1.0 1.8 5.5 1356 868 A 543 PHE HB3 B 883 ILE HD1% 1.0 1.8 5.5 1357 869 A 527 VAL HA B 883 ILE HD1% 1.0 1.8 5.5 1358 870 B 883 ILE HD1% A 543 PHE HB2 1.0 1.8 4.2 1359 870 A 543 PHE HB3 B 883 ILE HD1% 1.0 1.8 4.2 1360 871 B 883 ILE HD1% B 884 PRO HD2 1.0 1.8 5.5 1361 871 B 884 PRO HD3 B 883 ILE HD1% 1.0 1.8 5.5 1362 872 B 883 ILE HD1% A 523 LEU HA 1.0 1.8 4.2 1363 873 B 883 ILE HD1% B 883 ILE HA 1.0 1.8 4.2 1364 874 A 527 VAL H B 883 ILE HD1% 1.0 1.8 5.5 1365 875 B 883 ILE H B 883 ILE HD1% 1.0 1.8 4.2 1366 876 A 538 ILE HA A 538 ILE HD1% 1.0 1.8 4.2 1367 877 A 538 ILE HD1% A 543 PHE HA 1.0 1.8 4.2 1368 878 A 538 ILE HD1% B 890 LEU HA 1.0 1.8 4.2 1369 879 A 531 GLU HA A 538 ILE HD1% 1.0 1.8 5.5 1370 880 A 538 ILE HD1% A 543 PHE HB2 1.0 1.8 4.2 1371 880 A 543 PHE HB3 A 538 ILE HD1% 1.0 1.8 4.2 1372 881 A 538 ILE HD1% A 543 PHE HB2 1.0 1.8 4.2 1373 881 A 543 PHE HB3 A 538 ILE HD1% 1.0 1.8 4.2 1374 882 A 538 ILE HD1% A 538 ILE HG12 1.0 1.8 2.8 1375 882 A 538 ILE HG13 A 538 ILE HD1% 1.0 1.8 2.8 1376 883 A 538 ILE HB A 538 ILE HD1% 1.0 1.8 3.3 1377 884 A 527 VAL HG2% A 538 ILE HD1% 1.0 1.8 5.5 1378 885 A 536 PHE HD% A 538 ILE HD1% 1.0 1.8 4.2 1379 886 A 543 PHE HD% A 538 ILE HD1% 1.0 1.8 3.3 1380 887 A 538 ILE HD1% A 536 PHE HE% 1.0 1.8 3.3 1381 888 A 538 ILE H A 538 ILE HD1% 1.0 1.8 4.2 1382 889 A 539 THR H A 538 ILE HD1% 1.0 1.8 5.5 1383 890 B 882 SER HA B 883 ILE H 1.0 1.8 2.8 1384 891 A 545 PHE H B 882 SER HA 1.0 1.8 4.2 1385 892 B 882 SER HA B 882 SER H 1.0 1.8 4.2 1386 893 B 882 SER HA A 544 ASP HA 1.0 1.8 3.3 1387 894 B 882 SER HA B 882 SER HB2 1.0 1.8 3.3 1388 894 B 882 SER HA B 882 SER HB3 1.0 1.8 3.3 1389 895 B 882 SER HA B 883 ILE HB 1.0 1.8 5.5 1390 896 B 882 SER HA A 542 THR HG2% 1.0 1.8 4.2 1391 897 B 882 SER HA B 881 VAL HG1% 1.0 1.8 4.2 1392 898 B 882 SER HA B 883 ILE HG12 1.0 1.8 5.5 1393 898 B 882 SER HA B 883 ILE HG13 1.0 1.8 5.5 1394 899 A 537 HIS H A 536 PHE HA 1.0 1.8 2.8 1395 900 A 536 PHE H A 536 PHE HA 1.0 1.8 4.2 1396 901 A 536 PHE HD% A 536 PHE HA 1.0 1.8 4.2 1397 902 A 530 ILE HD1% A 536 PHE HA 1.0 1.8 4.2 1398 903 A 536 PHE HA A 536 PHE HB2 1.0 1.8 3.3 1399 903 A 536 PHE HA A 536 PHE HB3 1.0 1.8 3.3 1400 904 A 536 PHE HA A 536 PHE HB2 1.0 1.8 3.3 1401 904 A 536 PHE HA A 536 PHE HB3 1.0 1.8 3.3 1402 905 A 536 PHE HA A 545 PHE HB2 1.0 1.8 4.2 1403 905 A 536 PHE HA A 545 PHE HB3 1.0 1.8 4.2 1404 906 A 536 PHE HA A 545 PHE HA 1.0 1.8 3.3 1405 907 A 542 THR HG2% A 542 THR HA 1.0 1.8 3.3 1406 908 A 542 THR HA B 885 LEU HB2 1.0 1.8 4.2 1407 908 B 885 LEU HB3 A 542 THR HA 1.0 1.8 4.2 1408 909 A 542 THR HG2% A 542 THR HA 1.0 1.8 3.3 1409 910 A 538 ILE HA A 539 THR H 1.0 1.8 2.8 1410 911 A 538 ILE HA A 538 ILE H 1.0 1.8 4.2 1411 912 A 538 ILE HA A 543 PHE HA 1.0 1.8 3.3 1412 913 A 538 ILE HA A 538 ILE HB 1.0 1.8 4.2 1413 914 A 538 ILE HA A 538 ILE HG2% 1.0 1.8 3.3 1414 915 A 538 ILE HA A 538 ILE HG12 1.0 1.8 4.2 1415 915 A 538 ILE HA A 538 ILE HG13 1.0 1.8 4.2 1416 916 A 545 PHE HA A 545 PHE HB2 1.0 1.8 3.3 1417 916 A 545 PHE HA A 545 PHE HB3 1.0 1.8 3.3 1418 917 A 545 PHE HA A 545 PHE HB2 1.0 1.8 2.8 1419 917 A 545 PHE HA A 545 PHE HB3 1.0 1.8 2.8 1420 918 A 536 PHE HA A 545 PHE HA 1.0 1.8 3.3 1421 919 A 545 PHE HA A 545 PHE HD% 1.0 1.8 4.2 1422 920 A 545 PHE H A 545 PHE HA 1.0 1.8 4.2 1423 921 B 888 VAL HA B 888 VAL HB 1.0 1.8 2.8 1424 922 B 888 VAL HA B 888 VAL HG1% 1.0 1.8 2.8 1425 923 B 888 VAL HA B 889 VAL HG2% 1.0 1.8 4.2 1426 924 B 888 VAL H B 888 VAL HA 1.0 1.8 3.3 1427 925 B 888 VAL HA B 889 VAL H 1.0 1.8 2.8 1428 926 A 503 TYR HA A 506 GLU HB2 1.0 1.8 3.3 1429 926 A 506 GLU HB3 A 503 TYR HA 1.0 1.8 3.3 1430 927 A 503 TYR HA A 506 GLU HG2 1.0 1.8 4.2 1431 927 A 506 GLU HG3 A 503 TYR HA 1.0 1.8 4.2 1432 928 A 503 TYR HA A 503 TYR HB2 1.0 1.8 3.3 1433 928 A 503 TYR HB3 A 503 TYR HA 1.0 1.8 3.3 1434 929 A 503 TYR HA A 503 TYR HB2 1.0 1.8 2.8 1435 929 A 503 TYR HB3 A 503 TYR HA 1.0 1.8 2.8 1436 930 A 502 ALA HB% A 503 TYR HA 1.0 1.8 4.2 1437 931 A 503 TYR HA A 503 TYR HD% 1.0 1.8 2.8 1438 932 A 506 GLU H A 503 TYR HA 1.0 1.8 4.2 1439 933 A 503 TYR H A 503 TYR HA 1.0 1.8 3.3 1440 934 A 504 LEU H A 503 TYR HA 1.0 1.8 4.2 1441 935 A 503 TYR HA A 503 TYR HE% 1.0 1.8 4.2 1442 936 A 542 THR HG2% B 884 PRO HA 1.0 1.8 3.3 1443 937 B 884 PRO HA B 884 PRO HB2 1.0 1.8 2.8 1444 937 B 884 PRO HA B 884 PRO HB3 1.0 1.8 2.8 1445 938 B 884 PRO HA B 884 PRO HG2 1.0 1.8 4.2 1446 938 B 884 PRO HA B 884 PRO HG3 1.0 1.8 4.2 1447 939 B 884 PRO HA B 884 PRO HB2 1.0 1.8 3.3 1448 939 B 884 PRO HA B 884 PRO HB3 1.0 1.8 3.3 1449 940 B 884 PRO HA B 885 LEU HB2 1.0 1.8 5.5 1450 940 B 885 LEU HB3 B 884 PRO HA 1.0 1.8 5.5 1451 941 A 542 THR HG2% B 884 PRO HA 1.0 1.8 3.3 1452 942 A 564 THR H A 564 THR HB 1.0 1.8 4.2 1453 943 A 564 THR HG2% A 564 THR HB 1.0 1.8 2.8 1454 944 A 567 THR HG2% A 567 THR HB 1.0 1.8 3.3 1455 945 B 900 THR HG2% B 900 THR HB 1.0 1.8 3.3 1456 946 A 541 THR HB A 541 THR HA 1.0 1.8 2.8 1457 947 A 554 THR H A 553 THR HB 1.0 1.8 3.3 1458 948 A 553 THR H A 553 THR HB 1.0 1.8 3.3 1459 949 A 553 THR HA A 553 THR HB 1.0 1.8 2.8 1460 950 A 553 THR HB A 551 ASP HB2 1.0 1.8 4.2 1461 950 A 551 ASP HB3 A 553 THR HB 1.0 1.8 4.2 1462 951 A 553 THR HG2% A 553 THR HB 1.0 1.8 2.8 1463 952 A 542 THR HB B 882 SER HB2 1.0 1.8 4.2 1464 952 B 882 SER HB3 A 542 THR HB 1.0 1.8 4.2 1465 953 A 542 THR HG2% A 542 THR HB 1.0 1.8 4.2 1466 954 B 882 SER HA A 542 THR HB 1.0 1.8 4.2 1467 955 A 542 THR HG2% A 542 THR HB 1.0 1.8 3.3 1468 956 B 882 SER H B 882 SER HB2 1.0 1.8 3.3 1469 956 B 882 SER H B 882 SER HB3 1.0 1.8 3.3 1470 957 B 883 ILE H B 882 SER HB2 1.0 1.8 4.2 1471 957 B 882 SER HB3 B 883 ILE H 1.0 1.8 4.2 1472 958 B 882 SER H B 882 SER HB2 1.0 1.8 3.3 1473 958 B 882 SER H B 882 SER HB3 1.0 1.8 3.3 1474 959 B 883 ILE H B 882 SER HB2 1.0 1.8 4.2 1475 959 B 882 SER HB3 B 883 ILE H 1.0 1.8 4.2 1476 960 A 526 ILE HA A 526 ILE HG2% 1.0 1.8 2.8 1477 961 A 561 TYR HE% A 526 ILE HA 1.0 1.8 4.2 1478 962 A 561 TYR HD% A 526 ILE HA 1.0 1.8 4.2 1479 963 A 529 LEU H A 526 ILE HA 1.0 1.8 4.2 1480 964 A 530 ILE H A 526 ILE HA 1.0 1.8 4.2 1481 965 A 509 GLU H A 508 VAL HA 1.0 1.8 4.2 1482 966 A 508 VAL HA A 512 ARG H 1.0 1.8 4.2 1483 967 A 508 VAL H A 508 VAL HA 1.0 1.8 3.3 1484 968 A 508 VAL HA A 511 HIS H 1.0 1.8 4.2 1485 969 A 508 VAL HA A 508 VAL HB 1.0 1.8 3.3 1486 970 B 879 LEU HD1% A 508 VAL HA 1.0 1.8 3.3 1487 971 B 879 LEU HD2% A 508 VAL HA 1.0 1.8 3.3 1488 972 A 508 VAL HA A 508 VAL HG2% 1.0 1.8 2.8 1489 973 A 508 VAL HA A 511 HIS HB2 1.0 1.8 3.3 1490 973 A 508 VAL HA A 511 HIS HB3 1.0 1.8 3.3 1491 974 A 524 GLN HA A 524 GLN HB2 1.0 1.8 3.3 1492 974 A 524 GLN HA A 524 GLN HB3 1.0 1.8 3.3 1493 975 A 524 GLN HA A 527 VAL HB 1.0 1.8 3.3 1494 976 B 888 VAL HG1% A 524 GLN HA 1.0 1.8 3.3 1495 977 A 524 GLN HA A 527 VAL HG2% 1.0 1.8 3.3 1496 978 A 524 GLN HA A 527 VAL HG1% 1.0 1.8 4.2 1497 979 A 524 GLN HA A 525 GLN H 1.0 1.8 4.2 1498 980 A 524 GLN HA A 527 VAL H 1.0 1.8 4.2 1499 981 A 524 GLN HA A 524 GLN H 1.0 1.8 3.3 1500 982 A 558 LEU HA A 561 TYR HB2 1.0 1.8 4.2 1501 982 A 558 LEU HA A 561 TYR HB3 1.0 1.8 4.2 1502 983 A 558 LEU HA A 558 LEU HB2 1.0 1.8 3.3 1503 983 A 558 LEU HA A 558 LEU HB3 1.0 1.8 3.3 1504 984 A 558 LEU HA A 558 LEU HG 1.0 1.8 4.2 1505 985 A 558 LEU HA A 557 LYS HB2 1.0 1.8 4.2 1506 985 A 558 LEU HA A 557 LYS HB3 1.0 1.8 4.2 1507 986 A 558 LEU HA A 558 LEU HB2 1.0 1.8 3.3 1508 986 A 558 LEU HA A 558 LEU HB3 1.0 1.8 3.3 1509 987 A 558 LEU HA A 561 TYR HE% 1.0 1.8 4.2 1510 988 A 558 LEU HA A 561 TYR HD% 1.0 1.8 3.3 1511 989 A 558 LEU H A 558 LEU HA 1.0 1.8 3.3 1512 990 A 558 LEU HA A 559 GLN H 1.0 1.8 4.2 1513 991 A 530 ILE HB A 530 ILE HA 1.0 1.8 4.2 1514 992 A 530 ILE HA A 530 ILE HG12 1.0 1.8 3.3 1515 992 A 530 ILE HG13 A 530 ILE HA 1.0 1.8 3.3 1516 993 A 530 ILE HD1% A 530 ILE HA 1.0 1.8 4.2 1517 994 A 530 ILE HG2% A 530 ILE HA 1.0 1.8 2.8 1518 995 A 530 ILE HA A 530 ILE HG12 1.0 1.8 4.2 1519 995 A 530 ILE HG13 A 530 ILE HA 1.0 1.8 4.2 1520 996 A 532 GLU H A 530 ILE HA 1.0 1.8 5.5 1521 997 A 530 ILE H A 530 ILE HA 1.0 1.8 3.3 1522 998 A 531 GLU H A 530 ILE HA 1.0 1.8 4.2 1523 999 A 511 HIS H A 511 HIS HA 1.0 1.8 3.3 1524 1000 A 511 HIS HA A 514 LEU H 1.0 1.8 4.2 1525 1001 A 511 HIS HA A 512 ARG H 1.0 1.8 4.2 1526 1002 A 511 HIS HA A 511 HIS HD2 1.0 1.8 4.2 1527 1002 A 511 HIS HA A 511 HIS HD1 1.0 1.8 4.2 1528 1003 A 511 HIS HA A 510 LEU HB2 1.0 1.8 4.2 1529 1003 A 510 LEU HB3 A 511 HIS HA 1.0 1.8 4.2 1530 1004 A 511 HIS HA A 514 LEU HB2 1.0 1.8 4.2 1531 1004 A 511 HIS HA A 514 LEU HB3 1.0 1.8 4.2 1532 1005 A 511 HIS HA A 511 HIS HB2 1.0 1.8 2.8 1533 1005 A 511 HIS HA A 511 HIS HB3 1.0 1.8 2.8 1534 1006 A 511 HIS HA A 511 HIS HB2 1.0 1.8 2.8 1535 1006 A 511 HIS HA A 511 HIS HB3 1.0 1.8 2.8 1536 1007 B 900 THR H B 899 SER HA 1.0 1.8 4.2 1537 1008 B 891 PRO HA B 891 PRO HB2 1.0 1.8 2.8 1538 1008 B 891 PRO HB3 B 891 PRO HA 1.0 1.8 2.8 1539 1009 B 891 PRO HA B 891 PRO HG2 1.0 1.8 3.3 1540 1009 B 891 PRO HG3 B 891 PRO HA 1.0 1.8 3.3 1541 1010 B 891 PRO HA B 891 PRO HB2 1.0 1.8 3.3 1542 1010 B 891 PRO HB3 B 891 PRO HA 1.0 1.8 3.3 1543 1011 B 891 PRO HA B 891 PRO HD2 1.0 1.8 4.2 1544 1011 B 891 PRO HD3 B 891 PRO HA 1.0 1.8 4.2 1545 1012 B 892 SER H B 891 PRO HA 1.0 1.8 2.8 1546 1013 B 885 LEU H B 885 LEU HA 1.0 1.8 3.3 1547 1014 B 886 ALA H B 885 LEU HA 1.0 1.8 4.2 1548 1015 B 887 SER H B 885 LEU HA 1.0 1.8 4.2 1549 1016 B 888 VAL H B 885 LEU HA 1.0 1.8 4.2 1550 1017 B 885 LEU HA B 885 LEU HB2 1.0 1.8 2.8 1551 1017 B 885 LEU HB3 B 885 LEU HA 1.0 1.8 2.8 1552 1018 B 885 LEU HA B 885 LEU HG 1.0 1.8 3.3 1553 1019 B 885 LEU HA B 885 LEU HD2% 1.0 1.8 2.8 1554 1020 B 888 VAL HG2% B 885 LEU HA 1.0 1.8 2.8 1555 1021 A 520 ARG H A 520 ARG HA 1.0 1.8 3.3 1556 1022 B 888 VAL HG1% A 520 ARG HA 1.0 1.8 4.2 1557 1023 A 520 ARG HA A 523 LEU HD1% 1.0 1.8 4.2 1558 1024 A 520 ARG HA A 523 LEU HB2 1.0 1.8 4.2 1559 1024 A 520 ARG HA A 523 LEU HB3 1.0 1.8 4.2 1560 1025 A 520 ARG HA A 523 LEU HB2 1.0 1.8 3.3 1561 1025 A 520 ARG HA A 523 LEU HB3 1.0 1.8 3.3 1562 1026 A 520 ARG HA A 520 ARG HB2 1.0 1.8 2.8 1563 1026 A 520 ARG HA A 520 ARG HB3 1.0 1.8 2.8 1564 1027 A 520 ARG HA A 520 ARG HD2 1.0 1.8 4.2 1565 1027 A 520 ARG HA A 520 ARG HD3 1.0 1.8 4.2 1566 1028 A 519 GLU HA A 520 ARG HA 1.0 1.8 5.5 1567 1029 A 520 ARG HA A 522 ILE H 1.0 1.8 4.2 1568 1030 A 520 ARG HA A 523 LEU H 1.0 1.8 4.2 1569 1031 A 520 ARG HA A 524 GLN H 1.0 1.8 4.2 1570 1032 B 889 VAL HA B 889 VAL HB 1.0 1.8 3.3 1571 1033 B 889 VAL HA B 890 LEU HB2 1.0 1.8 4.2 1572 1033 B 889 VAL HA B 890 LEU HB3 1.0 1.8 4.2 1573 1034 B 888 VAL HG2% B 889 VAL HA 1.0 1.8 4.2 1574 1035 B 889 VAL HA B 890 LEU H 1.0 1.8 2.8 1575 1036 B 889 VAL H B 889 VAL HA 1.0 1.8 3.3 1576 1037 A 568 SER H A 568 SER HA 1.0 1.8 4.2 1577 1038 A 552 LYS HA A 555 VAL H 1.0 1.8 3.3 1578 1039 A 552 LYS HA A 553 THR H 1.0 1.8 4.2 1579 1040 A 552 LYS H A 552 LYS HA 1.0 1.8 3.3 1580 1041 A 552 LYS HA A 503 TYR HE% 1.0 1.8 4.2 1581 1042 A 551 ASP HA A 552 LYS HA 1.0 1.8 4.2 1582 1043 A 552 LYS HA A 555 VAL HB 1.0 1.8 2.8 1583 1044 A 552 LYS HA A 552 LYS HB2 1.0 1.8 2.8 1584 1044 A 552 LYS HB3 A 552 LYS HA 1.0 1.8 2.8 1585 1045 A 552 LYS HA A 555 VAL HG2% 1.0 1.8 3.3 1586 1046 A 552 LYS HA A 552 LYS HG2 1.0 1.8 3.3 1587 1046 A 552 LYS HA A 552 LYS HG3 1.0 1.8 3.3 1588 1047 A 552 LYS HA A 555 VAL HG1% 1.0 1.8 4.2 1589 1048 A 506 GLU HA A 506 GLU HG2 1.0 1.8 3.3 1590 1048 A 506 GLU HG3 A 506 GLU HA 1.0 1.8 3.3 1591 1049 A 506 GLU H A 506 GLU HA 1.0 1.8 3.3 1592 1050 A 506 GLU HA A 510 LEU H 1.0 1.8 4.2 1593 1051 A 507 LEU H A 506 GLU HA 1.0 1.8 4.2 1594 1052 A 506 GLU HA A 508 VAL H 1.0 1.8 5.5 1595 1053 A 506 GLU HA A 503 TYR HA 1.0 1.8 5.5 1596 1054 A 509 GLU HA A 509 GLU HG2 1.0 1.8 3.3 1597 1054 A 509 GLU HA A 509 GLU HG3 1.0 1.8 3.3 1598 1055 A 509 GLU HA A 508 VAL HG1% 1.0 1.8 4.2 1599 1056 A 509 GLU H A 509 GLU HA 1.0 1.8 3.3 1600 1057 A 509 GLU HA A 512 ARG HG2 1.0 1.8 4.2 1601 1057 A 509 GLU HA A 512 ARG HG3 1.0 1.8 4.2 1602 1058 B 892 SER HA B 892 SER HB2 1.0 1.8 2.8 1603 1058 B 892 SER HB3 B 892 SER HA 1.0 1.8 2.8 1604 1059 B 887 SER HA B 887 SER HB2 1.0 1.8 3.3 1605 1059 B 887 SER HA B 887 SER HB3 1.0 1.8 3.3 1606 1060 B 887 SER HA B 887 SER HB2 1.0 1.8 3.3 1607 1060 B 887 SER HA B 887 SER HB3 1.0 1.8 3.3 1608 1061 B 888 VAL H B 887 SER HA 1.0 1.8 4.2 1609 1062 B 887 SER H B 887 SER HA 1.0 1.8 3.3 1610 1063 A 557 LYS HG2 A 560 SER HB2 1.0 1.8 5.5 1611 1063 A 557 LYS HG3 A 560 SER HB2 1.0 1.8 5.5 1612 1063 A 560 SER HB3 A 557 LYS HG2 1.0 1.8 5.5 1613 1063 A 557 LYS HG3 A 560 SER HB3 1.0 1.8 5.5 1614 1064 A 525 GLN HA A 528 ASN HB2 1.0 1.8 3.3 1615 1064 A 525 GLN HA A 528 ASN HB3 1.0 1.8 3.3 1616 1065 A 525 GLN HA A 525 GLN HG2 1.0 1.8 3.3 1617 1065 A 525 GLN HA A 525 GLN HG3 1.0 1.8 3.3 1618 1066 A 525 GLN HA A 525 GLN HG2 1.0 1.8 3.3 1619 1066 A 525 GLN HA A 525 GLN HG3 1.0 1.8 3.3 1620 1067 A 525 GLN HA A 525 GLN HB2 1.0 1.8 2.8 1621 1067 A 525 GLN HA A 525 GLN HB3 1.0 1.8 2.8 1622 1068 A 525 GLN H A 525 GLN HA 1.0 1.8 3.3 1623 1069 A 525 GLN HA A 528 ASN H 1.0 1.8 4.2 1624 1070 A 525 GLN HA A 529 LEU H 1.0 1.8 5.5 1625 1071 A 512 ARG HA A 512 ARG HG2 1.0 1.8 3.3 1626 1071 A 512 ARG HA A 512 ARG HG3 1.0 1.8 3.3 1627 1072 A 557 LYS H A 557 LYS HA 1.0 1.8 3.3 1628 1073 A 558 LEU H A 557 LYS HA 1.0 1.8 4.2 1629 1074 A 557 LYS HA A 557 LYS HB2 1.0 1.8 3.3 1630 1074 A 557 LYS HA A 557 LYS HB3 1.0 1.8 3.3 1631 1075 A 557 LYS HA A 557 LYS HB2 1.0 1.8 2.8 1632 1075 A 557 LYS HA A 557 LYS HB3 1.0 1.8 2.8 1633 1076 A 557 LYS HA A 557 LYS HG2 1.0 1.8 3.3 1634 1076 A 557 LYS HG3 A 557 LYS HA 1.0 1.8 3.3 1635 1077 A 501 LYS HA A 501 LYS HB2 1.0 1.8 2.8 1636 1077 A 501 LYS HA A 501 LYS HB3 1.0 1.8 2.8 1637 1078 A 501 LYS HA A 501 LYS HG2 1.0 1.8 2.8 1638 1078 A 501 LYS HA A 501 LYS HG3 1.0 1.8 2.8 1639 1079 A 501 LYS H A 501 LYS HA 1.0 1.8 3.3 1640 1080 A 502 ALA H A 501 LYS HA 1.0 1.8 3.3 1641 1081 A 501 LYS HA A 504 LEU H 1.0 1.8 4.2 1642 1082 A 563 GLU HA A 563 GLU HB2 1.0 1.8 2.8 1643 1082 A 563 GLU HB3 A 563 GLU HA 1.0 1.8 2.8 1644 1083 A 563 GLU H A 563 GLU HA 1.0 1.8 2.8 1645 1084 A 564 THR H A 563 GLU HA 1.0 1.8 3.3 1646 1085 A 505 ASP HA A 505 ASP H 1.0 1.8 3.3 1647 1086 A 505 ASP HA A 508 VAL H 1.0 1.8 3.3 1648 1087 A 520 ARG H A 519 GLU HA 1.0 1.8 2.8 1649 1088 A 519 GLU H A 519 GLU HA 1.0 1.8 3.3 1650 1089 A 505 ASP HA A 505 ASP HB2 1.0 1.8 3.3 1651 1089 A 505 ASP HA A 505 ASP HB3 1.0 1.8 3.3 1652 1090 A 505 ASP HA A 505 ASP HB2 1.0 1.8 2.8 1653 1090 A 505 ASP HA A 505 ASP HB3 1.0 1.8 2.8 1654 1091 A 519 GLU HA A 519 GLU HB2 1.0 1.8 2.8 1655 1091 A 519 GLU HB3 A 519 GLU HA 1.0 1.8 2.8 1656 1092 A 520 ARG HA A 524 GLN H 1.0 1.8 4.2 1657 1093 A 505 ASP HA A 508 VAL HG2% 1.0 1.8 3.3 1658 1094 A 515 MET HA A 515 MET HB2 1.0 1.8 4.2 1659 1094 A 515 MET HA A 515 MET HB3 1.0 1.8 4.2 1660 1095 A 515 MET HA A 515 MET HB2 1.0 1.8 3.3 1661 1095 A 515 MET HA A 515 MET HB3 1.0 1.8 3.3 1662 1096 B 881 VAL HG1% A 515 MET HA 1.0 1.8 4.2 1663 1097 A 515 MET HA A 517 LEU H 1.0 1.8 4.2 1664 1098 A 516 THR H A 515 MET HA 1.0 1.8 4.2 1665 1099 A 515 MET H A 515 MET HA 1.0 1.8 3.3 1666 1100 A 517 LEU H A 514 LEU HA 1.0 1.8 4.2 1667 1101 A 516 THR H A 514 LEU HA 1.0 1.8 4.2 1668 1102 A 515 MET H A 514 LEU HA 1.0 1.8 4.2 1669 1103 A 514 LEU H A 514 LEU HA 1.0 1.8 3.3 1670 1104 A 514 LEU HA A 517 LEU HB2 1.0 1.8 3.3 1671 1104 A 514 LEU HA A 517 LEU HB3 1.0 1.8 3.3 1672 1105 A 514 LEU HA A 514 LEU HB2 1.0 1.8 3.3 1673 1105 A 514 LEU HB3 A 514 LEU HA 1.0 1.8 3.3 1674 1106 A 514 LEU HA A 514 LEU HD2% 1.0 1.8 2.8 1675 1107 A 565 SER HA A 566 GLY H 1.0 1.8 3.3 1676 1108 A 565 SER H A 565 SER HA 1.0 1.8 4.2 1677 1109 A 565 SER HA A 565 SER HB2 1.0 1.8 2.8 1678 1109 A 565 SER HB3 A 565 SER HA 1.0 1.8 2.8 1679 1110 A 555 VAL HG1% A 556 ARG HA 1.0 1.8 4.2 1680 1111 A 556 ARG HA A 556 ARG HD2 1.0 1.8 3.3 1681 1111 A 556 ARG HA A 556 ARG HD3 1.0 1.8 3.3 1682 1112 A 556 ARG HA A 559 GLN HG2 1.0 1.8 4.2 1683 1112 A 556 ARG HA A 559 GLN HG3 1.0 1.8 4.2 1684 1113 A 556 ARG HA A 559 GLN HB2 1.0 1.8 3.3 1685 1113 A 556 ARG HA A 559 GLN HB3 1.0 1.8 3.3 1686 1114 A 556 ARG HA A 556 ARG HB2 1.0 1.8 3.3 1687 1114 A 556 ARG HA A 556 ARG HB3 1.0 1.8 3.3 1688 1115 A 555 VAL HG1% A 556 ARG HA 1.0 1.8 4.2 1689 1116 A 556 ARG HA A 556 ARG HG2 1.0 1.8 3.3 1690 1116 A 556 ARG HA A 556 ARG HG3 1.0 1.8 3.3 1691 1117 A 556 ARG HA A 556 ARG HD2 1.0 1.8 4.2 1692 1117 A 556 ARG HA A 556 ARG HD3 1.0 1.8 4.2 1693 1118 A 556 ARG HA A 560 SER H 1.0 1.8 4.2 1694 1119 A 558 LEU H A 556 ARG HA 1.0 1.8 4.2 1695 1120 A 556 ARG H A 556 ARG HA 1.0 1.8 3.3 1696 1121 A 550 LEU H A 549 SER HA 1.0 1.8 4.2 1697 1122 B 898 ARG HA B 898 ARG HB2 1.0 1.8 4.2 1698 1122 B 898 ARG HA B 898 ARG HB3 1.0 1.8 4.2 1699 1123 B 898 ARG HA B 898 ARG H 1.0 1.8 4.2 1700 1124 B 899 SER H B 898 ARG HA 1.0 1.8 4.2 1701 1125 B 898 ARG HA B 898 ARG HG2 1.0 1.8 4.2 1702 1125 B 898 ARG HA B 898 ARG HG3 1.0 1.8 4.2 1703 1126 A 517 LEU HA A 517 LEU HB2 1.0 1.8 2.8 1704 1126 A 517 LEU HB3 A 517 LEU HA 1.0 1.8 2.8 1705 1127 A 517 LEU HA A 517 LEU HB2 1.0 1.8 2.8 1706 1127 A 517 LEU HB3 A 517 LEU HA 1.0 1.8 2.8 1707 1128 A 517 LEU HD1% A 517 LEU HA 1.0 1.8 3.3 1708 1129 A 517 LEU H A 517 LEU HA 1.0 1.8 3.3 1709 1130 A 518 ARG H A 517 LEU HA 1.0 1.8 2.8 1710 1131 A 562 LEU H A 562 LEU HA 1.0 1.8 3.3 1711 1132 A 567 THR HA A 567 THR HB 1.0 1.8 2.8 1712 1133 A 564 THR HG2% A 564 THR HA 1.0 1.8 3.3 1713 1134 A 565 SER H A 564 THR HA 1.0 1.8 3.3 1714 1135 B 895 GLU HA B 895 GLU HG2 1.0 1.8 4.2 1715 1135 B 895 GLU HG3 B 895 GLU HA 1.0 1.8 4.2 1716 1136 B 895 GLU HA B 895 GLU HB2 1.0 1.8 3.3 1717 1136 B 895 GLU HB3 B 895 GLU HA 1.0 1.8 3.3 1718 1137 A 528 ASN H A 528 ASN HA 1.0 1.8 3.3 1719 1138 A 528 ASN HA A 531 GLU H 1.0 1.8 4.2 1720 1139 A 529 LEU H A 528 ASN HA 1.0 1.8 4.2 1721 1140 A 528 ASN HA A 528 ASN HB2 1.0 1.8 2.8 1722 1140 A 528 ASN HA A 528 ASN HB3 1.0 1.8 2.8 1723 1141 A 527 VAL HG1% A 528 ASN HA 1.0 1.8 4.2 1724 1142 A 528 ASN HA B 891 PRO HG2 1.0 1.8 4.2 1725 1142 A 528 ASN HA B 891 PRO HG3 1.0 1.8 4.2 1726 1143 A 528 ASN HA A 531 GLU HB2 1.0 1.8 4.2 1727 1143 A 528 ASN HA A 531 GLU HB3 1.0 1.8 4.2 1728 1144 A 529 LEU HA A 532 GLU HB2 1.0 1.8 4.2 1729 1144 A 532 GLU HB3 A 529 LEU HA 1.0 1.8 4.2 1730 1145 A 510 LEU HA A 510 LEU HB2 1.0 1.8 2.8 1731 1145 A 510 LEU HB3 A 510 LEU HA 1.0 1.8 2.8 1732 1146 A 529 LEU HG A 529 LEU HA 1.0 1.8 4.2 1733 1147 A 532 GLU H A 529 LEU HA 1.0 1.8 4.2 1734 1148 A 529 LEU H A 529 LEU HA 1.0 1.8 3.3 1735 1149 A 513 ARG H A 510 LEU HA 1.0 1.8 4.2 1736 1150 A 510 LEU H A 510 LEU HA 1.0 1.8 3.3 1737 1151 A 530 ILE H A 529 LEU HA 1.0 1.8 4.2 1738 1152 A 511 HIS H A 510 LEU HA 1.0 1.8 4.2 1739 1153 A 514 LEU H A 510 LEU HA 1.0 1.8 4.2 1740 1154 A 529 LEU HA A 532 GLU HG2 1.0 1.8 4.2 1741 1154 A 532 GLU HG3 A 529 LEU HA 1.0 1.8 4.2 1742 1155 A 529 LEU HA A 528 ASN HB2 1.0 1.8 4.2 1743 1155 A 528 ASN HB3 A 529 LEU HA 1.0 1.8 4.2 1744 1156 A 510 LEU HA A 513 ARG HD2 1.0 1.8 4.2 1745 1156 A 510 LEU HA A 513 ARG HD3 1.0 1.8 4.2 1746 1157 A 548 CYS HA A 548 CYS HB2 1.0 1.8 3.3 1747 1157 A 548 CYS HA A 548 CYS HB3 1.0 1.8 3.3 1748 1158 A 548 CYS HA A 550 LEU H 1.0 1.8 4.2 1749 1159 A 549 SER H A 548 CYS HA 1.0 1.8 4.2 1750 1160 A 548 CYS H A 548 CYS HA 1.0 1.8 3.3 1751 1161 B 881 VAL HA B 881 VAL HB 1.0 1.8 4.2 1752 1162 B 881 VAL H B 881 VAL HA 1.0 1.8 3.3 1753 1163 A 553 THR HA A 553 THR HB 1.0 1.8 2.8 1754 1164 A 553 THR H A 553 THR HA 1.0 1.8 3.3 1755 1165 A 553 THR HA A 556 ARG HB2 1.0 1.8 3.3 1756 1165 A 553 THR HA A 556 ARG HB3 1.0 1.8 3.3 1757 1166 A 553 THR HA A 556 ARG HG2 1.0 1.8 4.2 1758 1166 A 553 THR HA A 556 ARG HG3 1.0 1.8 4.2 1759 1167 A 553 THR HA A 553 THR HG2% 1.0 1.8 2.8 1760 1168 A 554 THR HA A 557 LYS HB2 1.0 1.8 4.2 1761 1168 A 554 THR HA A 557 LYS HB3 1.0 1.8 4.2 1762 1169 A 557 LYS H A 554 THR HA 1.0 1.8 4.2 1763 1170 A 554 THR HA A 557 LYS HG2 1.0 1.8 4.2 1764 1170 A 557 LYS HG3 A 554 THR HA 1.0 1.8 4.2 1765 1171 A 554 THR HA A 554 THR HG2% 1.0 1.8 3.3 1766 1172 A 554 THR HA A 529 LEU HD1% 1.0 1.8 4.2 1767 1173 A 565 SER HA A 565 SER HB2 1.0 1.8 2.8 1768 1173 A 565 SER HB3 A 565 SER HA 1.0 1.8 2.8 1769 1174 A 565 SER H A 565 SER HB2 1.0 1.8 3.3 1770 1174 A 565 SER HB3 A 565 SER H 1.0 1.8 3.3 1771 1175 A 566 GLY H A 565 SER HB2 1.0 1.8 4.2 1772 1175 A 565 SER HB3 A 566 GLY H 1.0 1.8 4.2 1773 1176 A 531 GLU HA A 531 GLU HG2 1.0 1.8 2.8 1774 1176 A 531 GLU HA A 531 GLU HG3 1.0 1.8 2.8 1775 1177 A 557 LYS HA A 557 LYS HB2 1.0 1.8 3.3 1776 1177 A 557 LYS HA A 557 LYS HB3 1.0 1.8 3.3 1777 1178 A 536 PHE HD% A 531 GLU HA 1.0 1.8 3.3 1778 1179 A 531 GLU HA A 532 GLU H 1.0 1.8 4.2 1779 1180 A 531 GLU HA A 536 PHE HE% 1.0 1.8 3.3 1780 1181 A 531 GLU H A 531 GLU HA 1.0 1.8 3.3 1781 1182 A 507 LEU HA A 510 LEU HB2 1.0 1.8 3.3 1782 1182 A 507 LEU HA A 510 LEU HB3 1.0 1.8 3.3 1783 1183 A 507 LEU HA A 507 LEU HB2 1.0 1.8 3.3 1784 1183 A 507 LEU HA A 507 LEU HB3 1.0 1.8 3.3 1785 1184 A 507 LEU HA A 507 LEU HD2% 1.0 1.8 2.8 1786 1185 A 523 LEU HA A 523 LEU HB2 1.0 1.8 2.8 1787 1185 A 523 LEU HB3 A 523 LEU HA 1.0 1.8 2.8 1788 1186 A 507 LEU HA A 510 LEU H 1.0 1.8 4.2 1789 1187 A 507 LEU H A 507 LEU HA 1.0 1.8 3.3 1790 1188 A 507 LEU HA A 508 VAL H 1.0 1.8 4.2 1791 1189 A 507 LEU HA A 511 HIS H 1.0 1.8 4.2 1792 1190 A 523 LEU H A 523 LEU HA 1.0 1.8 3.3 1793 1191 A 523 LEU HA A 523 LEU HB2 1.0 1.8 3.3 1794 1191 A 523 LEU HB3 A 523 LEU HA 1.0 1.8 3.3 1795 1192 A 504 LEU HA A 504 LEU HB2 1.0 1.8 2.8 1796 1192 A 504 LEU HB3 A 504 LEU HA 1.0 1.8 2.8 1797 1193 A 560 SER HA A 559 GLN HB2 1.0 1.8 4.2 1798 1193 A 559 GLN HB3 A 560 SER HA 1.0 1.8 4.2 1799 1194 A 560 SER HA A 563 GLU HB2 1.0 1.8 4.2 1800 1194 A 560 SER HA A 563 GLU HB3 1.0 1.8 4.2 1801 1195 A 560 SER HA A 563 GLU H 1.0 1.8 4.2 1802 1196 B 893 ARG H B 893 ARG HA 1.0 1.8 4.2 1803 1197 B 878 LYS HA A 548 CYS HB2 1.0 1.8 2.8 1804 1197 B 878 LYS HA A 548 CYS HB3 1.0 1.8 2.8 1805 1198 A 540 ASN H A 540 ASN HA 1.0 1.8 3.3 1806 1199 B 878 LYS HA B 878 LYS HB2 1.0 1.8 2.8 1807 1199 B 878 LYS HB3 B 878 LYS HA 1.0 1.8 2.8 1808 1200 B 878 LYS HA B 878 LYS HG2 1.0 1.8 3.3 1809 1200 B 878 LYS HG3 B 878 LYS HA 1.0 1.8 3.3 1810 1201 B 878 LYS H B 878 LYS HA 1.0 1.8 3.3 1811 1202 B 879 LEU H B 878 LYS HA 1.0 1.8 2.8 1812 1203 A 547 LEU HA A 550 LEU HG 1.0 1.8 3.3 1813 1204 A 547 LEU HD2% A 547 LEU HA 1.0 1.8 2.8 1814 1205 A 547 LEU HA A 550 LEU H 1.0 1.8 4.2 1815 1206 A 547 LEU HA A 549 SER H 1.0 1.8 4.2 1816 1207 A 547 LEU H A 547 LEU HA 1.0 1.8 3.3 1817 1208 A 548 CYS H A 547 LEU HA 1.0 1.8 4.2 1818 1209 A 516 THR H A 516 THR HA 1.0 1.8 3.3 1819 1210 A 517 LEU H A 516 THR HA 1.0 1.8 4.2 1820 1211 A 537 HIS HA A 537 HIS HB2 1.0 1.8 2.8 1821 1211 A 537 HIS HA A 537 HIS HB3 1.0 1.8 2.8 1822 1212 A 537 HIS HA A 538 ILE H 1.0 1.8 2.8 1823 1213 A 555 VAL HA A 558 LEU HB2 1.0 1.8 3.3 1824 1213 A 558 LEU HB3 A 555 VAL HA 1.0 1.8 3.3 1825 1214 A 555 VAL HG2% A 555 VAL HA 1.0 1.8 2.8 1826 1215 A 555 VAL HG1% A 555 VAL HA 1.0 1.8 2.8 1827 1216 A 555 VAL H A 555 VAL HA 1.0 1.8 3.3 1828 1217 A 558 LEU H A 555 VAL HA 1.0 1.8 4.2 1829 1218 A 555 VAL HA A 556 ARG H 1.0 1.8 4.2 1830 1219 A 521 HIS HA A 521 HIS HB2 1.0 1.8 3.3 1831 1219 A 521 HIS HB3 A 521 HIS HA 1.0 1.8 3.3 1832 1220 A 521 HIS HA A 521 HIS HB2 1.0 1.8 3.3 1833 1220 A 521 HIS HB3 A 521 HIS HA 1.0 1.8 3.3 1834 1221 A 548 CYS HA A 548 CYS HB2 1.0 1.8 3.3 1835 1221 A 548 CYS HA A 548 CYS HB3 1.0 1.8 3.3 1836 1222 B 878 LYS HA A 548 CYS HB2 1.0 1.8 4.2 1837 1222 B 878 LYS HA A 548 CYS HB3 1.0 1.8 4.2 1838 1223 A 548 CYS H A 548 CYS HB2 1.0 1.8 3.3 1839 1223 A 548 CYS H A 548 CYS HB3 1.0 1.8 3.3 1840 1224 A 535 HIS HA A 535 HIS HB2 1.0 1.8 4.2 1841 1224 A 535 HIS HB3 A 535 HIS HA 1.0 1.8 4.2 1842 1225 A 535 HIS H A 535 HIS HB2 1.0 1.8 4.2 1843 1225 A 535 HIS H A 535 HIS HB3 1.0 1.8 4.2 1844 1226 A 548 CYS H A 548 CYS HB2 1.0 1.8 3.3 1845 1226 A 548 CYS H A 548 CYS HB3 1.0 1.8 3.3 1846 1227 B 879 LEU H A 548 CYS HB2 1.0 1.8 4.2 1847 1227 B 879 LEU H A 548 CYS HB3 1.0 1.8 4.2 1848 1228 A 549 SER H A 548 CYS HB2 1.0 1.8 4.2 1849 1228 A 549 SER H A 548 CYS HB3 1.0 1.8 4.2 1850 1229 B 878 LYS HA A 548 CYS HB2 1.0 1.8 4.2 1851 1229 B 878 LYS HA A 548 CYS HB3 1.0 1.8 4.2 1852 1230 A 548 CYS HA A 548 CYS HB2 1.0 1.8 3.3 1853 1230 A 548 CYS HA A 548 CYS HB3 1.0 1.8 3.3 1854 1231 A 507 LEU HD2% A 548 CYS HB2 1.0 1.8 5.5 1855 1231 A 507 LEU HD2% A 548 CYS HB3 1.0 1.8 5.5 1856 1232 A 549 SER H A 548 CYS HB2 1.0 1.8 4.2 1857 1232 A 549 SER H A 548 CYS HB3 1.0 1.8 4.2 1858 1233 B 879 LEU H A 548 CYS HB2 1.0 1.8 5.5 1859 1233 B 879 LEU H A 548 CYS HB3 1.0 1.8 5.5 1860 1234 A 535 HIS HA A 535 HIS HB2 1.0 1.8 4.2 1861 1234 A 535 HIS HB3 A 535 HIS HA 1.0 1.8 4.2 1862 1235 A 535 HIS H A 535 HIS HB2 1.0 1.8 4.2 1863 1235 A 535 HIS H A 535 HIS HB3 1.0 1.8 4.2 1864 1236 A 527 VAL HA A 527 VAL H 1.0 1.8 3.3 1865 1237 A 527 VAL HA A 530 ILE H 1.0 1.8 4.2 1866 1238 A 527 VAL HA A 531 GLU H 1.0 1.8 4.2 1867 1239 A 527 VAL HA A 527 VAL HB 1.0 1.8 3.3 1868 1240 A 527 VAL HA A 526 ILE HG2% 1.0 1.8 4.2 1869 1241 A 527 VAL HA A 527 VAL HG2% 1.0 1.8 2.8 1870 1242 A 527 VAL HA A 527 VAL HG1% 1.0 1.8 2.8 1871 1243 A 530 ILE HD1% A 527 VAL HA 1.0 1.8 4.2 1872 1244 A 537 HIS HA A 537 HIS HB2 1.0 1.8 3.3 1873 1244 A 537 HIS HA A 537 HIS HB3 1.0 1.8 3.3 1874 1245 A 537 HIS HD1 A 537 HIS HB2 1.0 1.8 4.2 1875 1245 A 537 HIS HD2 A 537 HIS HB2 1.0 1.8 4.2 1876 1245 A 537 HIS HB3 A 537 HIS HD2 1.0 1.8 4.2 1877 1245 A 537 HIS HB3 A 537 HIS HD1 1.0 1.8 4.2 1878 1246 A 538 ILE H A 537 HIS HB2 1.0 1.8 4.2 1879 1246 A 537 HIS HB3 A 538 ILE H 1.0 1.8 4.2 1880 1247 A 537 HIS H A 537 HIS HB2 1.0 1.8 4.2 1881 1247 A 537 HIS H A 537 HIS HB3 1.0 1.8 4.2 1882 1248 A 512 ARG H A 511 HIS HB2 1.0 1.8 4.2 1883 1248 A 511 HIS HB3 A 512 ARG H 1.0 1.8 4.2 1884 1249 A 511 HIS HD1 A 511 HIS HB2 1.0 1.8 4.2 1885 1249 A 511 HIS HD2 A 511 HIS HB2 1.0 1.8 4.2 1886 1249 A 511 HIS HB3 A 511 HIS HD2 1.0 1.8 4.2 1887 1249 A 511 HIS HB3 A 511 HIS HD1 1.0 1.8 4.2 1888 1250 A 511 HIS H A 511 HIS HB2 1.0 1.8 3.3 1889 1250 A 511 HIS H A 511 HIS HB3 1.0 1.8 3.3 1890 1251 A 520 ARG HA A 524 GLN H 1.0 1.8 4.2 1891 1252 A 511 HIS HA A 511 HIS HB2 1.0 1.8 3.3 1892 1252 A 511 HIS HA A 511 HIS HB3 1.0 1.8 3.3 1893 1253 B 879 LEU HD2% A 511 HIS HB2 1.0 1.8 4.2 1894 1253 B 879 LEU HD2% A 511 HIS HB3 1.0 1.8 4.2 1895 1254 A 511 HIS HA A 511 HIS HB2 1.0 1.8 3.3 1896 1254 A 511 HIS HA A 511 HIS HB3 1.0 1.8 3.3 1897 1255 A 511 HIS H A 511 HIS HB2 1.0 1.8 3.3 1898 1255 A 511 HIS H A 511 HIS HB3 1.0 1.8 3.3 1899 1256 A 512 ARG H A 511 HIS HB2 1.0 1.8 4.2 1900 1256 A 511 HIS HB3 A 512 ARG H 1.0 1.8 4.2 1901 1257 B 879 LEU HD1% A 511 HIS HB2 1.0 1.8 4.2 1902 1257 B 879 LEU HD1% A 511 HIS HB3 1.0 1.8 4.2 1903 1258 B 879 LEU HD2% A 511 HIS HB2 1.0 1.8 4.2 1904 1258 B 879 LEU HD2% A 511 HIS HB3 1.0 1.8 4.2 1905 1259 A 511 HIS HD1 A 511 HIS HB2 1.0 1.8 5.5 1906 1259 A 511 HIS HD2 A 511 HIS HB2 1.0 1.8 5.5 1907 1259 A 511 HIS HB3 A 511 HIS HD2 1.0 1.8 5.5 1908 1259 A 511 HIS HB3 A 511 HIS HD1 1.0 1.8 5.5 1909 1260 A 520 ARG HA A 524 GLN H 1.0 1.8 4.2 1910 1261 A 510 LEU HD1% A 559 GLN HG2 1.0 1.8 3.3 1911 1261 A 559 GLN HG3 A 510 LEU HD1% 1.0 1.8 3.3 1912 1262 A 559 GLN HB2 A 559 GLN HG2 1.0 1.8 3.3 1913 1262 A 559 GLN HB3 A 559 GLN HG2 1.0 1.8 3.3 1914 1262 A 559 GLN HG3 A 559 GLN HB2 1.0 1.8 3.3 1915 1262 A 559 GLN HG3 A 559 GLN HB3 1.0 1.8 3.3 1916 1263 A 559 GLN HA A 559 GLN HG2 1.0 1.8 3.3 1917 1263 A 559 GLN HA A 559 GLN HG3 1.0 1.8 3.3 1918 1264 A 556 ARG HA A 559 GLN HG2 1.0 1.8 4.2 1919 1264 A 556 ARG HA A 559 GLN HG3 1.0 1.8 4.2 1920 1265 A 559 GLN H A 559 GLN HG2 1.0 1.8 3.3 1921 1265 A 559 GLN H A 559 GLN HG3 1.0 1.8 3.3 1922 1266 A 515 MET H A 515 MET HB2 1.0 1.8 3.3 1923 1266 A 515 MET H A 515 MET HB3 1.0 1.8 3.3 1924 1267 B 884 PRO HA B 884 PRO HB2 1.0 1.8 3.3 1925 1267 B 884 PRO HA B 884 PRO HB3 1.0 1.8 3.3 1926 1268 B 884 PRO HB2 B 884 PRO HD2 1.0 1.8 4.2 1927 1268 B 884 PRO HB3 B 884 PRO HD2 1.0 1.8 4.2 1928 1268 B 884 PRO HD3 B 884 PRO HB2 1.0 1.8 4.2 1929 1268 B 884 PRO HB3 B 884 PRO HD3 1.0 1.8 4.2 1930 1269 B 886 ALA HB% B 884 PRO HB2 1.0 1.8 4.2 1931 1269 B 884 PRO HB3 B 886 ALA HB% 1.0 1.8 4.2 1932 1270 A 542 THR HG2% B 884 PRO HB2 1.0 1.8 4.2 1933 1270 A 542 THR HG2% B 884 PRO HB3 1.0 1.8 4.2 1934 1271 A 542 THR HG2% B 884 PRO HB2 1.0 1.8 4.2 1935 1271 A 542 THR HG2% B 884 PRO HB3 1.0 1.8 4.2 1936 1272 B 881 VAL HG1% A 515 MET HB2 1.0 1.8 4.2 1937 1272 B 881 VAL HG1% A 515 MET HB3 1.0 1.8 4.2 1938 1273 A 510 LEU HD1% A 559 GLN HB2 1.0 1.8 4.2 1939 1273 A 559 GLN HB3 A 510 LEU HD1% 1.0 1.8 4.2 1940 1274 A 559 GLN HB2 A 559 GLN HG2 1.0 1.8 3.3 1941 1274 A 559 GLN HB3 A 559 GLN HG2 1.0 1.8 3.3 1942 1274 A 559 GLN HG3 A 559 GLN HB2 1.0 1.8 3.3 1943 1274 A 559 GLN HG3 A 559 GLN HB3 1.0 1.8 3.3 1944 1275 A 559 GLN HA A 559 GLN HB2 1.0 1.8 3.3 1945 1275 A 559 GLN HA A 559 GLN HB3 1.0 1.8 3.3 1946 1276 A 556 ARG HA A 559 GLN HB2 1.0 1.8 4.2 1947 1276 A 556 ARG HA A 559 GLN HB3 1.0 1.8 4.2 1948 1277 A 560 SER H A 559 GLN HB2 1.0 1.8 4.2 1949 1277 A 560 SER H A 559 GLN HB3 1.0 1.8 4.2 1950 1278 A 559 GLN H A 559 GLN HB2 1.0 1.8 3.3 1951 1278 A 559 GLN H A 559 GLN HB3 1.0 1.8 3.3 1952 1279 B 884 PRO HB3 B 884 PRO HG2 1.0 1.8 2.8 1953 1279 B 884 PRO HB2 B 884 PRO HG2 1.0 1.8 2.8 1954 1279 B 884 PRO HG3 B 884 PRO HB2 1.0 1.8 2.8 1955 1279 B 884 PRO HB3 B 884 PRO HG3 1.0 1.8 2.8 1956 1280 B 884 PRO HD3 B 884 PRO HG2 1.0 1.8 3.3 1957 1280 B 884 PRO HD2 B 884 PRO HG2 1.0 1.8 3.3 1958 1280 B 884 PRO HG3 B 884 PRO HD2 1.0 1.8 3.3 1959 1280 B 884 PRO HD3 B 884 PRO HG3 1.0 1.8 3.3 1960 1281 B 884 PRO HD3 B 884 PRO HG2 1.0 1.8 3.3 1961 1281 B 884 PRO HD2 B 884 PRO HG2 1.0 1.8 3.3 1962 1281 B 884 PRO HG3 B 884 PRO HD2 1.0 1.8 3.3 1963 1281 B 884 PRO HD3 B 884 PRO HG3 1.0 1.8 3.3 1964 1282 B 884 PRO HA B 884 PRO HG2 1.0 1.8 4.2 1965 1282 B 884 PRO HA B 884 PRO HG3 1.0 1.8 4.2 1966 1283 B 883 ILE HA B 884 PRO HG2 1.0 1.8 4.2 1967 1283 B 883 ILE HA B 884 PRO HG3 1.0 1.8 4.2 1968 1284 B 887 SER H B 884 PRO HG2 1.0 1.8 5.5 1969 1284 B 887 SER H B 884 PRO HG3 1.0 1.8 5.5 1970 1285 B 883 ILE HG2% B 884 PRO HG2 1.0 1.8 4.2 1971 1285 B 883 ILE HG2% B 884 PRO HG3 1.0 1.8 4.2 1972 1286 B 880 PRO HA B 880 PRO HG2 1.0 1.8 4.2 1973 1286 B 880 PRO HA B 880 PRO HG3 1.0 1.8 4.2 1974 1287 B 879 LEU HA B 880 PRO HG2 1.0 1.8 4.2 1975 1287 B 879 LEU HA B 880 PRO HG3 1.0 1.8 4.2 1976 1288 B 880 PRO HD2 B 880 PRO HG2 1.0 1.8 3.3 1977 1288 B 880 PRO HG3 B 880 PRO HD2 1.0 1.8 3.3 1978 1288 B 880 PRO HD3 B 880 PRO HG3 1.0 1.8 3.3 1979 1288 B 880 PRO HD3 B 880 PRO HG2 1.0 1.8 3.3 1980 1289 B 880 PRO HD2 B 880 PRO HG2 1.0 1.8 4.2 1981 1289 B 880 PRO HG3 B 880 PRO HD2 1.0 1.8 4.2 1982 1289 B 880 PRO HD3 B 880 PRO HG3 1.0 1.8 4.2 1983 1289 B 880 PRO HD3 B 880 PRO HG2 1.0 1.8 4.2 1984 1290 A 550 LEU HG A 550 LEU HB2 1.0 1.8 4.2 1985 1290 A 550 LEU HG A 550 LEU HB3 1.0 1.8 4.2 1986 1291 A 550 LEU HG A 550 LEU HB2 1.0 1.8 4.2 1987 1291 A 550 LEU HG A 550 LEU HB3 1.0 1.8 4.2 1988 1292 A 547 LEU HA A 550 LEU HG 1.0 1.8 4.2 1989 1293 A 550 LEU HG A 550 LEU HA 1.0 1.8 4.2 1990 1294 A 550 LEU H A 550 LEU HG 1.0 1.8 3.3 1991 1295 A 506 GLU HB2 A 506 GLU HG2 1.0 1.8 2.8 1992 1295 A 506 GLU HB3 A 506 GLU HG2 1.0 1.8 2.8 1993 1295 A 506 GLU HG3 A 506 GLU HB2 1.0 1.8 2.8 1994 1295 A 506 GLU HG3 A 506 GLU HB3 1.0 1.8 2.8 1995 1296 A 506 GLU HA A 506 GLU HB2 1.0 1.8 3.3 1996 1296 A 506 GLU HB3 A 506 GLU HA 1.0 1.8 3.3 1997 1297 A 503 TYR HA A 506 GLU HB2 1.0 1.8 4.2 1998 1297 A 506 GLU HB3 A 503 TYR HA 1.0 1.8 4.2 1999 1298 A 506 GLU H A 506 GLU HB2 1.0 1.8 3.3 2000 1298 A 506 GLU H A 506 GLU HB3 1.0 1.8 3.3 2001 1299 A 524 GLN HA A 524 GLN HB2 1.0 1.8 4.2 2002 1299 A 524 GLN HA A 524 GLN HB3 1.0 1.8 4.2 2003 1300 A 524 GLN H A 524 GLN HB2 1.0 1.8 3.3 2004 1300 A 524 GLN H A 524 GLN HB3 1.0 1.8 3.3 2005 1301 A 525 GLN H A 524 GLN HB2 1.0 1.8 4.2 2006 1301 A 524 GLN HB3 A 525 GLN H 1.0 1.8 4.2 2007 1302 A 555 VAL HG2% A 555 VAL HB 1.0 1.8 3.3 2008 1303 A 555 VAL HG1% A 555 VAL HB 1.0 1.8 3.3 2009 1304 A 555 VAL HB A 555 VAL HA 1.0 1.8 4.2 2010 1305 A 512 ARG HA A 515 MET HB2 1.0 1.8 4.2 2011 1305 A 512 ARG HA A 515 MET HB3 1.0 1.8 4.2 2012 1306 A 552 LYS HA A 555 VAL HB 1.0 1.8 3.3 2013 1307 A 515 MET HA A 515 MET HB2 1.0 1.8 4.2 2014 1307 A 515 MET HA A 515 MET HB3 1.0 1.8 4.2 2015 1308 A 555 VAL H A 555 VAL HB 1.0 1.8 3.3 2016 1309 A 555 VAL HB A 556 ARG H 1.0 1.8 3.3 2017 1310 A 524 GLN HA A 524 GLN HG2 1.0 1.8 4.2 2018 1310 A 524 GLN HA A 524 GLN HG3 1.0 1.8 4.2 2019 1311 A 525 GLN H A 524 GLN HG2 1.0 1.8 4.2 2020 1311 A 525 GLN H A 524 GLN HG3 1.0 1.8 4.2 2021 1312 A 524 GLN H A 524 GLN HG2 1.0 1.8 4.2 2022 1312 A 524 GLN H A 524 GLN HG3 1.0 1.8 4.2 2023 1313 A 559 GLN HA A 559 GLN HG2 1.0 1.8 5.5 2024 1313 A 559 GLN HA A 559 GLN HG3 1.0 1.8 5.5 2025 1314 A 509 GLU HA A 509 GLU HG2 1.0 1.8 5.5 2026 1314 A 509 GLU HA A 509 GLU HG3 1.0 1.8 5.5 2027 1315 A 509 GLU H A 509 GLU HG2 1.0 1.8 5.5 2028 1315 A 509 GLU H A 509 GLU HG3 1.0 1.8 5.5 2029 1316 A 560 SER H A 559 GLN HG2 1.0 1.8 5.5 2030 1316 A 560 SER H A 559 GLN HG3 1.0 1.8 5.5 2031 1317 A 510 LEU H A 509 GLU HG2 1.0 1.8 5.5 2032 1317 A 510 LEU H A 509 GLU HG3 1.0 1.8 5.5 2033 1318 A 559 GLN H A 559 GLN HG2 1.0 1.8 5.5 2034 1318 A 559 GLN H A 559 GLN HG3 1.0 1.8 5.5 2035 1319 A 510 LEU HD1% A 559 GLN HG2 1.0 1.8 5.5 2036 1319 A 559 GLN HG3 A 510 LEU HD1% 1.0 1.8 5.5 2037 1320 A 509 GLU HA A 509 GLU HG2 1.0 1.8 5.5 2038 1320 A 509 GLU HA A 509 GLU HG3 1.0 1.8 5.5 2039 1321 A 509 GLU H A 509 GLU HG2 1.0 1.8 5.5 2040 1321 A 509 GLU H A 509 GLU HG3 1.0 1.8 5.5 2041 1322 A 510 LEU H A 509 GLU HG2 1.0 1.8 5.5 2042 1322 A 510 LEU H A 509 GLU HG3 1.0 1.8 5.5 2043 1323 B 891 PRO HB3 B 891 PRO HG2 1.0 1.8 3.3 2044 1323 B 891 PRO HB2 B 891 PRO HG2 1.0 1.8 3.3 2045 1323 B 891 PRO HG3 B 891 PRO HB2 1.0 1.8 3.3 2046 1323 B 891 PRO HB3 B 891 PRO HG3 1.0 1.8 3.3 2047 1324 B 891 PRO HA B 891 PRO HB2 1.0 1.8 3.3 2048 1324 B 891 PRO HB3 B 891 PRO HA 1.0 1.8 3.3 2049 1325 B 892 SER H B 891 PRO HB2 1.0 1.8 4.2 2050 1325 B 892 SER H B 891 PRO HB3 1.0 1.8 4.2 2051 1326 A 508 VAL H A 508 VAL HB 1.0 1.8 3.3 2052 1327 A 509 GLU H A 508 VAL HB 1.0 1.8 3.3 2053 1328 A 505 ASP HA A 508 VAL HB 1.0 1.8 3.3 2054 1329 A 508 VAL HA A 508 VAL HB 1.0 1.8 4.2 2055 1330 A 508 VAL HB A 508 VAL HG1% 1.0 1.8 2.8 2056 1331 A 532 GLU HA A 532 GLU HB2 1.0 1.8 2.8 2057 1331 A 532 GLU HB3 A 532 GLU HA 1.0 1.8 2.8 2058 1332 A 532 GLU H A 532 GLU HB2 1.0 1.8 2.8 2059 1332 A 532 GLU H A 532 GLU HB3 1.0 1.8 2.8 2060 1333 A 533 THR H A 532 GLU HB2 1.0 1.8 4.2 2061 1333 A 533 THR H A 532 GLU HB3 1.0 1.8 4.2 2062 1334 A 563 GLU HA A 563 GLU HB2 1.0 1.8 2.8 2063 1334 A 563 GLU HB3 A 563 GLU HA 1.0 1.8 2.8 2064 1335 A 563 GLU H A 563 GLU HB2 1.0 1.8 3.3 2065 1335 A 563 GLU HB3 A 563 GLU H 1.0 1.8 3.3 2066 1336 A 529 LEU HD2% A 532 GLU HB2 1.0 1.8 4.2 2067 1336 A 532 GLU HB3 A 529 LEU HD2% 1.0 1.8 4.2 2068 1337 A 529 LEU HD1% A 532 GLU HB2 1.0 1.8 4.2 2069 1337 A 532 GLU HB3 A 529 LEU HD1% 1.0 1.8 4.2 2070 1338 A 531 GLU HA A 531 GLU HG2 1.0 1.8 3.3 2071 1338 A 531 GLU HA A 531 GLU HG3 1.0 1.8 3.3 2072 1339 A 536 PHE HE% A 531 GLU HG2 1.0 1.8 4.2 2073 1339 A 536 PHE HE% A 531 GLU HG3 1.0 1.8 4.2 2074 1340 A 531 GLU H A 531 GLU HG2 1.0 1.8 4.2 2075 1340 A 531 GLU H A 531 GLU HG3 1.0 1.8 4.2 2076 1341 A 525 GLN HA A 525 GLN HG2 1.0 1.8 3.3 2077 1341 A 525 GLN HA A 525 GLN HG3 1.0 1.8 3.3 2078 1342 A 561 TYR HE% A 525 GLN HG2 1.0 1.8 4.2 2079 1342 A 561 TYR HE% A 525 GLN HG3 1.0 1.8 4.2 2080 1343 A 525 GLN H A 525 GLN HG2 1.0 1.8 3.3 2081 1343 A 525 GLN H A 525 GLN HG3 1.0 1.8 3.3 2082 1344 A 525 GLN HB2 A 525 GLN HG2 1.0 1.8 3.3 2083 1344 A 525 GLN HB3 A 525 GLN HG2 1.0 1.8 3.3 2084 1344 A 525 GLN HG3 A 525 GLN HB2 1.0 1.8 3.3 2085 1344 A 525 GLN HB3 A 525 GLN HG3 1.0 1.8 3.3 2086 1345 A 530 ILE HB A 530 ILE HG12 1.0 1.8 3.3 2087 1345 A 530 ILE HG13 A 530 ILE HB 1.0 1.8 3.3 2088 1346 A 530 ILE HD1% A 530 ILE HB 1.0 1.8 3.3 2089 1347 A 530 ILE HG2% A 530 ILE HB 1.0 1.8 4.2 2090 1348 A 530 ILE HB A 530 ILE HG12 1.0 1.8 3.3 2091 1348 A 530 ILE HG13 A 530 ILE HB 1.0 1.8 3.3 2092 1349 A 531 GLU H A 530 ILE HB 1.0 1.8 4.2 2093 1350 A 530 ILE HB A 530 ILE HA 1.0 1.8 4.2 2094 1351 B 889 VAL HA B 889 VAL HB 1.0 1.8 4.2 2095 1352 B 889 VAL H B 889 VAL HB 1.0 1.8 3.3 2096 1353 B 890 LEU H B 889 VAL HB 1.0 1.8 4.2 2097 1354 A 552 LYS HA A 552 LYS HB2 1.0 1.8 3.3 2098 1354 A 552 LYS HB3 A 552 LYS HA 1.0 1.8 3.3 2099 1355 A 553 THR H A 552 LYS HB2 1.0 1.8 4.2 2100 1355 A 552 LYS HB3 A 553 THR H 1.0 1.8 4.2 2101 1356 A 552 LYS H A 552 LYS HB2 1.0 1.8 2.8 2102 1356 A 552 LYS HB3 A 552 LYS H 1.0 1.8 2.8 2103 1357 A 557 LYS HA A 557 LYS HB2 1.0 1.8 3.3 2104 1357 A 557 LYS HA A 557 LYS HB3 1.0 1.8 3.3 2105 1358 A 557 LYS H A 557 LYS HB2 1.0 1.8 3.3 2106 1358 A 557 LYS H A 557 LYS HB3 1.0 1.8 3.3 2107 1359 A 558 LEU H A 557 LYS HB2 1.0 1.8 4.2 2108 1359 A 558 LEU H A 557 LYS HB3 1.0 1.8 4.2 2109 1360 A 557 LYS HB3 A 557 LYS HG2 1.0 1.8 2.8 2110 1360 A 557 LYS HB2 A 557 LYS HG2 1.0 1.8 2.8 2111 1360 A 557 LYS HG3 A 557 LYS HB2 1.0 1.8 2.8 2112 1360 A 557 LYS HG3 A 557 LYS HB3 1.0 1.8 2.8 2113 1361 B 891 PRO HA B 891 PRO HB2 1.0 1.8 3.3 2114 1361 B 891 PRO HB3 B 891 PRO HA 1.0 1.8 3.3 2115 1362 A 501 LYS HB3 A 501 LYS HG2 1.0 1.8 3.3 2116 1362 A 501 LYS HB2 A 501 LYS HG2 1.0 1.8 3.3 2117 1362 A 501 LYS HG3 A 501 LYS HB2 1.0 1.8 3.3 2118 1362 A 501 LYS HB3 A 501 LYS HG3 1.0 1.8 3.3 2119 1363 A 501 LYS HA A 501 LYS HB2 1.0 1.8 3.3 2120 1363 A 501 LYS HA A 501 LYS HB3 1.0 1.8 3.3 2121 1364 A 502 ALA H A 501 LYS HB2 1.0 1.8 4.2 2122 1364 A 502 ALA H A 501 LYS HB3 1.0 1.8 4.2 2123 1365 A 501 LYS H A 501 LYS HB2 1.0 1.8 3.3 2124 1365 A 501 LYS H A 501 LYS HB3 1.0 1.8 3.3 2125 1366 A 501 LYS HB3 A 501 LYS HG2 1.0 1.8 2.8 2126 1366 A 501 LYS HB2 A 501 LYS HG2 1.0 1.8 2.8 2127 1366 A 501 LYS HG3 A 501 LYS HB2 1.0 1.8 2.8 2128 1366 A 501 LYS HB3 A 501 LYS HG3 1.0 1.8 2.8 2129 1367 A 501 LYS HA A 501 LYS HB2 1.0 1.8 3.3 2130 1367 A 501 LYS HA A 501 LYS HB3 1.0 1.8 3.3 2131 1368 A 502 ALA H A 501 LYS HB2 1.0 1.8 4.2 2132 1368 A 502 ALA H A 501 LYS HB3 1.0 1.8 4.2 2133 1369 A 501 LYS H A 501 LYS HB2 1.0 1.8 3.3 2134 1369 A 501 LYS H A 501 LYS HB3 1.0 1.8 3.3 2135 1370 A 557 LYS HB3 A 557 LYS HG2 1.0 1.8 3.3 2136 1370 A 557 LYS HB2 A 557 LYS HG2 1.0 1.8 3.3 2137 1370 A 557 LYS HG3 A 557 LYS HB2 1.0 1.8 3.3 2138 1370 A 557 LYS HG3 A 557 LYS HB3 1.0 1.8 3.3 2139 1371 A 557 LYS HA A 557 LYS HB2 1.0 1.8 3.3 2140 1371 A 557 LYS HA A 557 LYS HB3 1.0 1.8 3.3 2141 1372 A 557 LYS H A 557 LYS HB2 1.0 1.8 3.3 2142 1372 A 557 LYS H A 557 LYS HB3 1.0 1.8 3.3 2143 1373 A 558 LEU H A 557 LYS HB2 1.0 1.8 4.2 2144 1373 A 558 LEU H A 557 LYS HB3 1.0 1.8 4.2 2145 1374 B 886 ALA HB% B 884 PRO HB2 1.0 1.8 4.2 2146 1374 B 884 PRO HB3 B 886 ALA HB% 1.0 1.8 4.2 2147 1375 B 884 PRO HB2 B 884 PRO HD2 1.0 1.8 3.3 2148 1375 B 884 PRO HB3 B 884 PRO HD2 1.0 1.8 3.3 2149 1375 B 884 PRO HD3 B 884 PRO HB2 1.0 1.8 3.3 2150 1375 B 884 PRO HB3 B 884 PRO HD3 1.0 1.8 3.3 2151 1376 B 884 PRO HB2 B 884 PRO HD2 1.0 1.8 4.2 2152 1376 B 884 PRO HB3 B 884 PRO HD2 1.0 1.8 4.2 2153 1376 B 884 PRO HD3 B 884 PRO HB2 1.0 1.8 4.2 2154 1376 B 884 PRO HB3 B 884 PRO HD3 1.0 1.8 4.2 2155 1377 B 884 PRO HA B 884 PRO HB2 1.0 1.8 3.3 2156 1377 B 884 PRO HA B 884 PRO HB3 1.0 1.8 3.3 2157 1378 B 887 SER H B 884 PRO HB2 1.0 1.8 4.2 2158 1378 B 887 SER H B 884 PRO HB3 1.0 1.8 4.2 2159 1379 B 886 ALA H B 884 PRO HB2 1.0 1.8 4.2 2160 1379 B 886 ALA H B 884 PRO HB3 1.0 1.8 4.2 2161 1380 A 518 ARG HA A 518 ARG HB2 1.0 1.8 3.3 2162 1380 A 518 ARG HA A 518 ARG HB3 1.0 1.8 3.3 2163 1381 A 518 ARG H A 518 ARG HB2 1.0 1.8 4.2 2164 1381 A 518 ARG H A 518 ARG HB3 1.0 1.8 4.2 2165 1382 B 880 PRO HB2 B 880 PRO HD2 1.0 1.8 4.2 2166 1382 B 880 PRO HB3 B 880 PRO HD2 1.0 1.8 4.2 2167 1382 B 880 PRO HD3 B 880 PRO HB2 1.0 1.8 4.2 2168 1382 B 880 PRO HD3 B 880 PRO HB3 1.0 1.8 4.2 2169 1383 B 880 PRO HB2 B 880 PRO HD2 1.0 1.8 4.2 2170 1383 B 880 PRO HB3 B 880 PRO HD2 1.0 1.8 4.2 2171 1383 B 880 PRO HD3 B 880 PRO HB2 1.0 1.8 4.2 2172 1383 B 880 PRO HD3 B 880 PRO HB3 1.0 1.8 4.2 2173 1384 B 880 PRO HA B 880 PRO HB2 1.0 1.8 3.3 2174 1384 B 880 PRO HA B 880 PRO HB3 1.0 1.8 3.3 2175 1385 B 881 VAL H B 880 PRO HB2 1.0 1.8 4.2 2176 1385 B 881 VAL H B 880 PRO HB3 1.0 1.8 4.2 2177 1386 A 509 GLU HA A 512 ARG HB2 1.0 1.8 3.3 2178 1386 A 509 GLU HA A 512 ARG HB3 1.0 1.8 3.3 2179 1387 A 512 ARG HA A 512 ARG HB2 1.0 1.8 3.3 2180 1387 A 512 ARG HA A 512 ARG HB3 1.0 1.8 3.3 2181 1388 A 512 ARG HB3 A 512 ARG HD2 1.0 1.8 3.3 2182 1388 A 512 ARG HB2 A 512 ARG HD2 1.0 1.8 3.3 2183 1388 A 512 ARG HD3 A 512 ARG HB2 1.0 1.8 3.3 2184 1388 A 512 ARG HB3 A 512 ARG HD3 1.0 1.8 3.3 2185 1389 A 512 ARG H A 512 ARG HB2 1.0 1.8 2.8 2186 1389 A 512 ARG H A 512 ARG HB3 1.0 1.8 2.8 2187 1390 A 519 GLU HA A 519 GLU HB2 1.0 1.8 3.3 2188 1390 A 519 GLU HB3 A 519 GLU HA 1.0 1.8 3.3 2189 1391 A 520 ARG HA A 520 ARG HB2 1.0 1.8 3.3 2190 1391 A 520 ARG HA A 520 ARG HB3 1.0 1.8 3.3 2191 1392 A 520 ARG HB2 A 520 ARG HD2 1.0 1.8 3.3 2192 1392 A 520 ARG HB3 A 520 ARG HD2 1.0 1.8 3.3 2193 1392 A 520 ARG HD3 A 520 ARG HB2 1.0 1.8 3.3 2194 1392 A 520 ARG HD3 A 520 ARG HB3 1.0 1.8 3.3 2195 1393 A 519 GLU H A 519 GLU HB2 1.0 1.8 3.3 2196 1393 A 519 GLU H A 519 GLU HB3 1.0 1.8 3.3 2197 1394 A 556 ARG H A 556 ARG HB2 1.0 1.8 3.3 2198 1394 A 556 ARG H A 556 ARG HB3 1.0 1.8 3.3 2199 1395 A 557 LYS H A 556 ARG HB2 1.0 1.8 4.2 2200 1395 A 557 LYS H A 556 ARG HB3 1.0 1.8 4.2 2201 1396 A 556 ARG HA A 556 ARG HB2 1.0 1.8 4.2 2202 1396 A 556 ARG HA A 556 ARG HB3 1.0 1.8 4.2 2203 1397 A 526 ILE HA A 526 ILE HG12 1.0 1.8 4.2 2204 1397 A 526 ILE HG13 A 526 ILE HA 1.0 1.8 4.2 2205 1398 A 561 TYR HD% A 526 ILE HG12 1.0 1.8 4.2 2206 1398 A 526 ILE HG13 A 561 TYR HD% 1.0 1.8 4.2 2207 1399 A 526 ILE H A 526 ILE HG12 1.0 1.8 3.3 2208 1399 A 526 ILE H A 526 ILE HG13 1.0 1.8 3.3 2209 1400 A 506 GLU HB2 A 506 GLU HG2 1.0 1.8 3.3 2210 1400 A 506 GLU HB3 A 506 GLU HG2 1.0 1.8 3.3 2211 1400 A 506 GLU HG3 A 506 GLU HB2 1.0 1.8 3.3 2212 1400 A 506 GLU HG3 A 506 GLU HB3 1.0 1.8 3.3 2213 1401 A 506 GLU HA A 506 GLU HB2 1.0 1.8 3.3 2214 1401 A 506 GLU HB3 A 506 GLU HA 1.0 1.8 3.3 2215 1402 A 506 GLU H A 506 GLU HB2 1.0 1.8 3.3 2216 1402 A 506 GLU H A 506 GLU HB3 1.0 1.8 3.3 2217 1403 A 503 TYR HA A 506 GLU HB2 1.0 1.8 4.2 2218 1403 A 506 GLU HB3 A 503 TYR HA 1.0 1.8 4.2 2219 1404 A 525 GLN H A 524 GLN HB2 1.0 1.8 4.2 2220 1404 A 524 GLN HB3 A 525 GLN H 1.0 1.8 4.2 2221 1405 B 893 ARG H B 893 ARG HB2 1.0 1.8 4.2 2222 1405 B 893 ARG H B 893 ARG HB3 1.0 1.8 4.2 2223 1406 A 552 LYS HB2 A 552 LYS HD2 1.0 1.8 2.8 2224 1406 A 552 LYS HB3 A 552 LYS HD2 1.0 1.8 2.8 2225 1406 A 552 LYS HD3 A 552 LYS HB2 1.0 1.8 2.8 2226 1406 A 552 LYS HB3 A 552 LYS HD3 1.0 1.8 2.8 2227 1407 A 552 LYS HD3 A 552 LYS HE2 1.0 1.8 4.2 2228 1407 A 552 LYS HD2 A 552 LYS HE2 1.0 1.8 4.2 2229 1407 A 552 LYS HE3 A 552 LYS HD2 1.0 1.8 4.2 2230 1407 A 552 LYS HD3 A 552 LYS HE3 1.0 1.8 4.2 2231 1408 A 552 LYS HD3 A 552 LYS HE2 1.0 1.8 4.2 2232 1408 A 552 LYS HD2 A 552 LYS HE2 1.0 1.8 4.2 2233 1408 A 552 LYS HE3 A 552 LYS HD2 1.0 1.8 4.2 2234 1408 A 552 LYS HD3 A 552 LYS HE3 1.0 1.8 4.2 2235 1409 A 552 LYS HA A 552 LYS HD2 1.0 1.8 4.2 2236 1409 A 552 LYS HA A 552 LYS HD3 1.0 1.8 4.2 2237 1410 A 503 TYR HE% A 552 LYS HD2 1.0 1.8 4.2 2238 1410 A 503 TYR HE% A 552 LYS HD3 1.0 1.8 4.2 2239 1411 A 552 LYS H A 552 LYS HD2 1.0 1.8 4.2 2240 1411 A 552 LYS H A 552 LYS HD3 1.0 1.8 4.2 2241 1412 B 878 LYS HA B 878 LYS HD2 1.0 1.8 4.2 2242 1412 B 878 LYS HA B 878 LYS HD3 1.0 1.8 4.2 2243 1413 A 557 LYS HA A 557 LYS HD2 1.0 1.8 4.2 2244 1413 A 557 LYS HA A 557 LYS HD3 1.0 1.8 4.2 2245 1414 A 524 GLN HA A 527 VAL HB 1.0 1.8 4.2 2246 1415 A 527 VAL HA A 527 VAL HB 1.0 1.8 4.2 2247 1416 A 527 VAL H A 527 VAL HB 1.0 1.8 3.3 2248 1417 A 527 VAL HB A 527 VAL HG2% 1.0 1.8 3.3 2249 1418 A 527 VAL HB A 527 VAL HG1% 1.0 1.8 3.3 2250 1419 A 501 LYS HD2 A 501 LYS HE2 1.0 1.8 4.2 2251 1419 A 501 LYS HD3 A 501 LYS HE2 1.0 1.8 4.2 2252 1419 A 501 LYS HE3 A 501 LYS HD2 1.0 1.8 4.2 2253 1419 A 501 LYS HE3 A 501 LYS HD3 1.0 1.8 4.2 2254 1420 A 501 LYS HA A 501 LYS HD2 1.0 1.8 4.2 2255 1420 A 501 LYS HA A 501 LYS HD3 1.0 1.8 4.2 2256 1421 A 501 LYS HD2 A 501 LYS HE2 1.0 1.8 3.3 2257 1421 A 501 LYS HD3 A 501 LYS HE2 1.0 1.8 3.3 2258 1421 A 501 LYS HE3 A 501 LYS HD2 1.0 1.8 3.3 2259 1421 A 501 LYS HE3 A 501 LYS HD3 1.0 1.8 3.3 2260 1422 A 501 LYS HA A 501 LYS HD2 1.0 1.8 4.2 2261 1422 A 501 LYS HA A 501 LYS HD3 1.0 1.8 4.2 2262 1423 B 893 ARG H B 893 ARG HB2 1.0 1.8 4.2 2263 1423 B 893 ARG H B 893 ARG HB3 1.0 1.8 4.2 2264 1424 A 506 GLU HA A 509 GLU HB2 1.0 1.8 4.2 2265 1424 A 506 GLU HA A 509 GLU HB3 1.0 1.8 4.2 2266 1425 A 509 GLU HA A 509 GLU HB2 1.0 1.8 3.3 2267 1425 A 509 GLU HA A 509 GLU HB3 1.0 1.8 3.3 2268 1426 A 509 GLU H A 509 GLU HB2 1.0 1.8 3.3 2269 1426 A 509 GLU H A 509 GLU HB3 1.0 1.8 3.3 2270 1427 A 510 LEU H A 509 GLU HB2 1.0 1.8 4.2 2271 1427 A 510 LEU H A 509 GLU HB3 1.0 1.8 4.2 2272 1428 A 559 GLN H A 559 GLN HB2 1.0 1.8 3.3 2273 1428 A 559 GLN H A 559 GLN HB3 1.0 1.8 3.3 2274 1429 A 560 SER H A 559 GLN HB2 1.0 1.8 4.2 2275 1429 A 560 SER H A 559 GLN HB3 1.0 1.8 4.2 2276 1430 A 556 ARG HA A 559 GLN HB2 1.0 1.8 4.2 2277 1430 A 556 ARG HA A 559 GLN HB3 1.0 1.8 4.2 2278 1431 A 559 GLN HA A 559 GLN HB2 1.0 1.8 3.3 2279 1431 A 559 GLN HA A 559 GLN HB3 1.0 1.8 3.3 2280 1432 A 509 GLU HA A 509 GLU HB2 1.0 1.8 3.3 2281 1432 A 509 GLU HA A 509 GLU HB3 1.0 1.8 3.3 2282 1433 A 506 GLU HA A 509 GLU HB2 1.0 1.8 4.2 2283 1433 A 506 GLU HA A 509 GLU HB3 1.0 1.8 4.2 2284 1434 A 509 GLU H A 509 GLU HB2 1.0 1.8 3.3 2285 1434 A 509 GLU H A 509 GLU HB3 1.0 1.8 3.3 2286 1435 A 510 LEU H A 509 GLU HB2 1.0 1.8 4.2 2287 1435 A 510 LEU H A 509 GLU HB3 1.0 1.8 4.2 2288 1436 A 524 GLN H A 524 GLN HB2 1.0 1.8 3.3 2289 1436 A 524 GLN H A 524 GLN HB3 1.0 1.8 3.3 2290 1437 A 525 GLN H A 524 GLN HB2 1.0 1.8 4.2 2291 1437 A 524 GLN HB3 A 525 GLN H 1.0 1.8 4.2 2292 1438 A 524 GLN HA A 524 GLN HB2 1.0 1.8 4.2 2293 1438 A 524 GLN HA A 524 GLN HB3 1.0 1.8 4.2 2294 1439 A 562 LEU H A 562 LEU HG 1.0 1.8 3.3 2295 1440 A 562 LEU HA A 562 LEU HG 1.0 1.8 4.2 2296 1441 B 891 PRO HD3 B 891 PRO HG2 1.0 1.8 3.3 2297 1441 B 891 PRO HD2 B 891 PRO HG2 1.0 1.8 3.3 2298 1441 B 891 PRO HG3 B 891 PRO HD2 1.0 1.8 3.3 2299 1441 B 891 PRO HD3 B 891 PRO HG3 1.0 1.8 3.3 2300 1442 B 891 PRO HA B 891 PRO HG2 1.0 1.8 4.2 2301 1442 B 891 PRO HG3 B 891 PRO HA 1.0 1.8 4.2 2302 1443 B 891 PRO HB3 B 891 PRO HG2 1.0 1.8 3.3 2303 1443 B 891 PRO HB2 B 891 PRO HG2 1.0 1.8 3.3 2304 1443 B 891 PRO HG3 B 891 PRO HB2 1.0 1.8 3.3 2305 1443 B 891 PRO HB3 B 891 PRO HG3 1.0 1.8 3.3 2306 1444 A 514 LEU HD1% A 514 LEU HG 1.0 1.8 2.8 2307 1445 A 514 LEU HA A 514 LEU HG 1.0 1.8 4.2 2308 1446 B 884 PRO HB3 B 884 PRO HG2 1.0 1.8 2.8 2309 1446 B 884 PRO HB2 B 884 PRO HG2 1.0 1.8 2.8 2310 1446 B 884 PRO HG3 B 884 PRO HB2 1.0 1.8 2.8 2311 1446 B 884 PRO HB3 B 884 PRO HG3 1.0 1.8 2.8 2312 1447 B 884 PRO HD3 B 884 PRO HG2 1.0 1.8 3.3 2313 1447 B 884 PRO HD2 B 884 PRO HG2 1.0 1.8 3.3 2314 1447 B 884 PRO HG3 B 884 PRO HD2 1.0 1.8 3.3 2315 1447 B 884 PRO HD3 B 884 PRO HG3 1.0 1.8 3.3 2316 1448 B 884 PRO HD3 B 884 PRO HG2 1.0 1.8 3.3 2317 1448 B 884 PRO HD2 B 884 PRO HG2 1.0 1.8 3.3 2318 1448 B 884 PRO HG3 B 884 PRO HD2 1.0 1.8 3.3 2319 1448 B 884 PRO HD3 B 884 PRO HG3 1.0 1.8 3.3 2320 1449 B 884 PRO HA B 884 PRO HG2 1.0 1.8 4.2 2321 1449 B 884 PRO HA B 884 PRO HG3 1.0 1.8 4.2 2322 1450 B 883 ILE HA B 884 PRO HG2 1.0 1.8 4.2 2323 1450 B 883 ILE HA B 884 PRO HG3 1.0 1.8 4.2 2324 1451 A 520 ARG HA A 520 ARG HG2 1.0 1.8 4.2 2325 1451 A 520 ARG HA A 520 ARG HG3 1.0 1.8 4.2 2326 1452 A 520 ARG H A 520 ARG HG2 1.0 1.8 4.2 2327 1452 A 520 ARG H A 520 ARG HG3 1.0 1.8 4.2 2328 1453 B 891 PRO HD3 B 891 PRO HG2 1.0 1.8 3.3 2329 1453 B 891 PRO HD2 B 891 PRO HG2 1.0 1.8 3.3 2330 1453 B 891 PRO HG3 B 891 PRO HD2 1.0 1.8 3.3 2331 1453 B 891 PRO HD3 B 891 PRO HG3 1.0 1.8 3.3 2332 1454 A 512 ARG HA A 512 ARG HG2 1.0 1.8 3.3 2333 1454 A 512 ARG HA A 512 ARG HG3 1.0 1.8 3.3 2334 1455 B 891 PRO HA B 891 PRO HG2 1.0 1.8 4.2 2335 1455 B 891 PRO HG3 B 891 PRO HA 1.0 1.8 4.2 2336 1456 A 512 ARG H A 512 ARG HG2 1.0 1.8 4.2 2337 1456 A 512 ARG H A 512 ARG HG3 1.0 1.8 4.2 2338 1457 B 880 PRO HD2 B 880 PRO HG2 1.0 1.8 3.3 2339 1457 B 880 PRO HG3 B 880 PRO HD2 1.0 1.8 3.3 2340 1457 B 880 PRO HD3 B 880 PRO HG3 1.0 1.8 3.3 2341 1457 B 880 PRO HD3 B 880 PRO HG2 1.0 1.8 3.3 2342 1458 B 880 PRO HD2 B 880 PRO HG2 1.0 1.8 3.3 2343 1458 B 880 PRO HD3 B 880 PRO HG2 1.0 1.8 3.3 2344 1458 B 880 PRO HG3 B 880 PRO HD2 1.0 1.8 3.3 2345 1458 B 880 PRO HD3 B 880 PRO HG3 1.0 1.8 3.3 2346 1459 B 880 PRO HA B 880 PRO HG2 1.0 1.8 4.2 2347 1459 B 880 PRO HA B 880 PRO HG3 1.0 1.8 4.2 2348 1460 A 558 LEU H A 558 LEU HG 1.0 1.8 5.5 2349 1461 A 525 GLN HA A 525 GLN HB2 1.0 1.8 3.3 2350 1461 A 525 GLN HA A 525 GLN HB3 1.0 1.8 3.3 2351 1462 A 525 GLN HB2 A 525 GLN HG2 1.0 1.8 3.3 2352 1462 A 525 GLN HB3 A 525 GLN HG2 1.0 1.8 3.3 2353 1462 A 525 GLN HG3 A 525 GLN HB2 1.0 1.8 3.3 2354 1462 A 525 GLN HB3 A 525 GLN HG3 1.0 1.8 3.3 2355 1463 A 526 ILE H A 525 GLN HB2 1.0 1.8 4.2 2356 1463 A 526 ILE H A 525 GLN HB3 1.0 1.8 4.2 2357 1464 A 525 GLN H A 525 GLN HB2 1.0 1.8 4.2 2358 1464 A 525 GLN H A 525 GLN HB3 1.0 1.8 4.2 2359 1465 A 538 ILE H A 538 ILE HG12 1.0 1.8 4.2 2360 1465 A 538 ILE H A 538 ILE HG13 1.0 1.8 4.2 2361 1466 A 536 PHE HE% A 538 ILE HG12 1.0 1.8 4.2 2362 1466 A 538 ILE HG13 A 536 PHE HE% 1.0 1.8 4.2 2363 1467 A 538 ILE HA A 538 ILE HG12 1.0 1.8 4.2 2364 1467 A 538 ILE HA A 538 ILE HG13 1.0 1.8 4.2 2365 1468 B 879 LEU HD1% A 507 LEU HB2 1.0 1.8 3.3 2366 1468 B 879 LEU HD1% A 507 LEU HB3 1.0 1.8 3.3 2367 1469 B 879 LEU HD1% A 511 HIS HB2 1.0 1.8 4.2 2368 1469 B 879 LEU HD1% A 511 HIS HB3 1.0 1.8 4.2 2369 1470 B 879 LEU HD1% A 508 VAL HA 1.0 1.8 3.3 2370 1471 B 879 LEU HD1% A 507 LEU HA 1.0 1.8 4.2 2371 1472 B 879 LEU HA B 879 LEU HD1% 1.0 1.8 4.2 2372 1473 B 879 LEU HD1% A 507 LEU H 1.0 1.8 4.2 2373 1474 A 548 CYS H B 879 LEU HD1% 1.0 1.8 5.5 2374 1475 B 879 LEU HD1% A 511 HIS H 1.0 1.8 4.2 2375 1476 B 879 LEU H B 879 LEU HD1% 1.0 1.8 5.5 2376 1477 B 879 LEU HD1% A 511 HIS HD2 1.0 1.8 5.5 2377 1477 B 879 LEU HD1% A 511 HIS HD1 1.0 1.8 5.5 2378 1478 B 879 LEU HD1% A 547 LEU HB2 1.0 1.8 3.3 2379 1478 B 879 LEU HD1% A 547 LEU HB3 1.0 1.8 3.3 2380 1479 A 507 LEU HD2% A 547 LEU HB2 1.0 1.8 3.3 2381 1479 A 507 LEU HD2% A 547 LEU HB3 1.0 1.8 3.3 2382 1480 A 507 LEU HA A 507 LEU HD2% 1.0 1.8 2.8 2383 1481 A 507 LEU H A 507 LEU HD2% 1.0 1.8 4.2 2384 1482 B 890 LEU HD2% B 890 LEU HA 1.0 1.8 2.8 2385 1483 A 543 PHE HD% B 890 LEU HD2% 1.0 1.8 3.3 2386 1484 A 527 VAL HG1% B 890 LEU HD2% 1.0 1.8 3.3 2387 1485 B 890 LEU HD2% B 890 LEU HB2 1.0 1.8 2.8 2388 1485 B 890 LEU HB3 B 890 LEU HD2% 1.0 1.8 2.8 2389 1486 B 881 VAL HG1% B 883 ILE HG12 1.0 1.8 3.3 2390 1486 B 881 VAL HG1% B 883 ILE HG13 1.0 1.8 3.3 2391 1487 B 882 SER H B 881 VAL HG1% 1.0 1.8 3.3 2392 1488 B 881 VAL HG1% B 883 ILE H 1.0 1.8 4.2 2393 1489 B 882 SER HA B 881 VAL HG1% 1.0 1.8 4.2 2394 1490 B 881 VAL HG2% A 514 LEU HB2 1.0 1.8 2.8 2395 1490 A 514 LEU HB3 B 881 VAL HG2% 1.0 1.8 2.8 2396 1491 B 881 VAL HA B 881 VAL HG2% 1.0 1.8 2.8 2397 1492 B 881 VAL HG2% A 511 HIS HD2 1.0 1.8 2.8 2398 1492 A 511 HIS HD1 B 881 VAL HG2% 1.0 1.8 2.8 2399 1493 B 881 VAL H B 881 VAL HG2% 1.0 1.8 3.3 2400 1494 A 523 LEU HD1% A 523 LEU HB2 1.0 1.8 2.8 2401 1494 A 523 LEU HB3 A 523 LEU HD1% 1.0 1.8 2.8 2402 1495 A 518 ARG HA A 523 LEU HD1% 1.0 1.8 4.2 2403 1496 A 523 LEU H A 523 LEU HD1% 1.0 1.8 4.2 2404 1497 A 542 THR HG2% B 884 PRO HB2 1.0 1.8 4.2 2405 1497 A 542 THR HG2% B 884 PRO HB3 1.0 1.8 4.2 2406 1498 B 878 LYS HD3 B 878 LYS HG2 1.0 1.8 2.8 2407 1498 B 878 LYS HD2 B 878 LYS HG2 1.0 1.8 2.8 2408 1498 B 878 LYS HG3 B 878 LYS HD2 1.0 1.8 2.8 2409 1498 B 878 LYS HG3 B 878 LYS HD3 1.0 1.8 2.8 2410 1499 B 878 LYS HE3 B 878 LYS HG2 1.0 1.8 3.3 2411 1499 B 878 LYS HE2 B 878 LYS HG2 1.0 1.8 3.3 2412 1499 B 878 LYS HG3 B 878 LYS HE2 1.0 1.8 3.3 2413 1499 B 878 LYS HG3 B 878 LYS HE3 1.0 1.8 3.3 2414 1500 B 878 LYS HA B 878 LYS HG2 1.0 1.8 3.3 2415 1500 B 878 LYS HG3 B 878 LYS HA 1.0 1.8 3.3 2416 1501 B 878 LYS H B 878 LYS HG2 1.0 1.8 4.2 2417 1501 B 878 LYS H B 878 LYS HG3 1.0 1.8 4.2 2418 1502 B 879 LEU HD1% A 547 LEU HG 1.0 1.8 2.8 2419 1503 A 547 LEU HG A 547 LEU HB2 1.0 1.8 2.8 2420 1503 A 547 LEU HG A 547 LEU HB3 1.0 1.8 2.8 2421 1504 A 547 LEU HG A 511 HIS HB2 1.0 1.8 3.3 2422 1504 A 511 HIS HB3 A 547 LEU HG 1.0 1.8 3.3 2423 1505 A 547 LEU HG A 511 HIS HB2 1.0 1.8 4.2 2424 1505 A 511 HIS HB3 A 547 LEU HG 1.0 1.8 4.2 2425 1506 A 511 HIS HA A 547 LEU HG 1.0 1.8 3.3 2426 1507 A 507 LEU HA A 547 LEU HG 1.0 1.8 4.2 2427 1508 A 547 LEU HG A 547 LEU HA 1.0 1.8 4.2 2428 1509 A 547 LEU HG A 511 HIS HD2 1.0 1.8 3.3 2429 1509 A 547 LEU HG A 511 HIS HD1 1.0 1.8 3.3 2430 1510 A 547 LEU H A 547 LEU HG 1.0 1.8 4.2 2431 1511 A 511 HIS H A 547 LEU HG 1.0 1.8 3.3 2432 1512 A 511 HIS HA A 514 LEU HD1% 1.0 1.8 4.2 2433 1513 A 514 LEU HD1% A 514 LEU HB2 1.0 1.8 3.3 2434 1513 A 514 LEU HB3 A 514 LEU HD1% 1.0 1.8 3.3 2435 1514 B 881 VAL HB A 514 LEU HD1% 1.0 1.8 4.2 2436 1515 A 514 LEU HA A 514 LEU HD1% 1.0 1.8 4.2 2437 1516 A 545 PHE HE% A 514 LEU HD1% 1.0 1.8 3.3 2438 1517 A 550 LEU HD1% A 547 LEU HB2 1.0 1.8 2.8 2439 1517 A 547 LEU HB3 A 550 LEU HD1% 1.0 1.8 2.8 2440 1518 A 507 LEU HD2% A 550 LEU HD1% 1.0 1.8 3.3 2441 1519 A 550 LEU HD1% A 559 GLN HG2 1.0 1.8 4.2 2442 1519 A 559 GLN HG3 A 550 LEU HD1% 1.0 1.8 4.2 2443 1520 A 507 LEU HA A 550 LEU HD1% 1.0 1.8 4.2 2444 1521 A 559 GLN H A 550 LEU HD1% 1.0 1.8 5.5 2445 1522 A 555 VAL HA A 550 LEU HD1% 1.0 1.8 4.2 2446 1523 A 530 ILE HG2% A 529 LEU HD1% 1.0 1.8 3.3 2447 1524 A 547 LEU HA A 550 LEU HD1% 1.0 1.8 3.3 2448 1525 A 550 LEU H A 550 LEU HD1% 1.0 1.8 4.2 2449 1526 A 550 LEU HA A 550 LEU HD1% 1.0 1.8 4.2 2450 1527 A 538 ILE HG2% B 885 LEU HD2% 1.0 1.8 2.8 2451 1528 A 538 ILE HB A 538 ILE HG2% 1.0 1.8 2.8 2452 1529 A 538 ILE HG2% A 538 ILE HG12 1.0 1.8 3.3 2453 1529 A 538 ILE HG13 A 538 ILE HG2% 1.0 1.8 3.3 2454 1530 A 538 ILE HA A 538 ILE HG2% 1.0 1.8 2.8 2455 1531 A 536 PHE HD% A 538 ILE HG2% 1.0 1.8 5.5 2456 1532 A 538 ILE HG2% A 543 PHE HD% 1.0 1.8 4.2 2457 1533 A 538 ILE HG2% A 536 PHE HE% 1.0 1.8 5.5 2458 1534 A 538 ILE H A 538 ILE HG2% 1.0 1.8 4.2 2459 1535 A 538 ILE HG2% A 539 THR H 1.0 1.8 3.3 2460 1536 A 538 ILE HG2% A 543 PHE HB2 1.0 1.8 4.2 2461 1536 A 543 PHE HB3 A 538 ILE HG2% 1.0 1.8 4.2 2462 1537 A 538 ILE HG2% A 543 PHE HB2 1.0 1.8 4.2 2463 1537 A 543 PHE HB3 A 538 ILE HG2% 1.0 1.8 4.2 2464 1538 A 502 ALA HB% A 505 ASP HB2 1.0 1.8 4.2 2465 1538 A 502 ALA HB% A 505 ASP HB3 1.0 1.8 4.2 2466 1539 A 502 ALA HB% A 503 TYR HB2 1.0 1.8 4.2 2467 1539 A 503 TYR HB3 A 502 ALA HB% 1.0 1.8 4.2 2468 1540 A 502 ALA HB% A 502 ALA HA 1.0 1.8 2.8 2469 1541 A 502 ALA HB% A 503 TYR HA 1.0 1.8 4.2 2470 1542 A 503 TYR H A 502 ALA HB% 1.0 1.8 2.8 2471 1543 A 502 ALA HB% A 504 LEU H 1.0 1.8 5.5 2472 1544 A 502 ALA H A 502 ALA HB% 1.0 1.8 2.8 2473 1545 B 886 ALA HB% B 884 PRO HB2 1.0 1.8 3.3 2474 1545 B 884 PRO HB3 B 886 ALA HB% 1.0 1.8 3.3 2475 1546 B 886 ALA HB% B 884 PRO HB2 1.0 1.8 4.2 2476 1546 B 884 PRO HB3 B 886 ALA HB% 1.0 1.8 4.2 2477 1547 B 886 ALA HA B 886 ALA HB% 1.0 1.8 2.8 2478 1548 B 887 SER H B 886 ALA HB% 1.0 1.8 3.3 2479 1549 A 520 ARG HA A 524 GLN H 1.0 1.8 4.2 2480 1550 B 886 ALA HB% B 888 VAL H 1.0 1.8 5.5 2481 1551 B 886 ALA H B 886 ALA HB% 1.0 1.8 2.8 2482 1552 B 885 LEU H B 886 ALA HB% 1.0 1.8 4.2 2483 1553 B 897 ALA HB% B 896 ARG HD2 1.0 1.8 4.2 2484 1553 B 897 ALA HB% B 896 ARG HD3 1.0 1.8 4.2 2485 1554 B 897 ALA HB% B 896 ARG HG2 1.0 1.8 3.3 2486 1554 B 897 ALA HB% B 896 ARG HG3 1.0 1.8 3.3 2487 1555 B 897 ALA HB% B 896 ARG HB2 1.0 1.8 4.2 2488 1555 B 897 ALA HB% B 896 ARG HB3 1.0 1.8 4.2 2489 1556 A 555 VAL HG1% A 555 VAL HB 1.0 1.8 2.8 2490 1557 A 555 VAL HG1% A 555 VAL HA 1.0 1.8 2.8 2491 1558 A 552 LYS HA A 555 VAL HG1% 1.0 1.8 4.2 2492 1559 A 555 VAL HG1% A 556 ARG HA 1.0 1.8 4.2 2493 1560 A 555 VAL HG1% A 503 TYR HE% 1.0 1.8 3.3 2494 1561 A 555 VAL HG1% A 555 VAL H 1.0 1.8 4.2 2495 1562 A 555 VAL HG1% A 556 ARG H 1.0 1.8 4.2 2496 1563 A 555 VAL HG1% A 559 GLN HG2 1.0 1.8 3.3 2497 1563 A 555 VAL HG1% A 559 GLN HG3 1.0 1.8 3.3 2498 1564 B 888 VAL HA B 889 VAL HG2% 1.0 1.8 4.2 2499 1565 B 888 VAL H B 889 VAL HG2% 1.0 1.8 4.2 2500 1566 B 890 LEU H B 889 VAL HG1% 1.0 1.8 3.3 2501 1567 B 879 LEU HD1% A 508 VAL HG1% 1.0 1.8 4.2 2502 1568 B 879 LEU HD2% A 508 VAL HG1% 1.0 1.8 3.3 2503 1569 A 508 VAL HG1% A 512 ARG HB2 1.0 1.8 3.3 2504 1569 A 508 VAL HG1% A 512 ARG HB3 1.0 1.8 3.3 2505 1570 A 508 VAL HB A 508 VAL HG1% 1.0 1.8 2.8 2506 1571 A 508 VAL HA A 508 VAL HG1% 1.0 1.8 2.8 2507 1572 A 509 GLU HA A 508 VAL HG1% 1.0 1.8 3.3 2508 1573 A 508 VAL H A 508 VAL HG1% 1.0 1.8 4.2 2509 1574 A 508 VAL HG1% A 512 ARG H 1.0 1.8 4.2 2510 1575 A 509 GLU H A 508 VAL HG1% 1.0 1.8 3.3 2511 1576 A 508 VAL HG1% A 511 HIS H 1.0 1.8 5.5 2512 1577 A 530 ILE HG2% A 554 THR HG2% 1.0 1.8 3.3 2513 1578 A 554 THR HA A 554 THR HG2% 1.0 1.8 2.8 2514 1579 A 554 THR HB A 554 THR HG2% 1.0 1.8 2.8 2515 1580 A 557 LYS H A 554 THR HG2% 1.0 1.8 4.2 2516 1581 A 558 LEU H A 554 THR HG2% 1.0 1.8 4.2 2517 1582 A 555 VAL HA A 554 THR HG2% 1.0 1.8 4.2 2518 1583 A 517 LEU HD2% A 519 GLU HB2 1.0 1.8 3.3 2519 1583 A 517 LEU HD2% A 519 GLU HB3 1.0 1.8 3.3 2520 1584 B 885 LEU HD1% B 885 LEU HG 1.0 1.8 2.8 2521 1585 A 562 LEU HD2% A 562 LEU HB2 1.0 1.8 2.8 2522 1585 A 562 LEU HB3 A 562 LEU HD2% 1.0 1.8 2.8 2523 1586 A 562 LEU HA A 562 LEU HD2% 1.0 1.8 2.8 2524 1587 A 504 LEU HA A 504 LEU HD1% 1.0 1.8 2.8 2525 1588 A 504 LEU HD1% A 504 LEU HB2 1.0 1.8 3.3 2526 1588 A 504 LEU HB3 A 504 LEU HD1% 1.0 1.8 3.3 2527 1589 B 885 LEU HD2% B 885 LEU HB2 1.0 1.8 2.8 2528 1589 B 885 LEU HB3 B 885 LEU HD2% 1.0 1.8 2.8 2529 1590 B 885 LEU HD2% A 543 PHE HB2 1.0 1.8 2.8 2530 1590 A 543 PHE HB3 B 885 LEU HD2% 1.0 1.8 2.8 2531 1591 B 885 LEU HD2% A 543 PHE HB2 1.0 1.8 3.3 2532 1591 A 543 PHE HB3 B 885 LEU HD2% 1.0 1.8 3.3 2533 1592 B 885 LEU HA B 885 LEU HD2% 1.0 1.8 2.8 2534 1593 A 543 PHE H B 885 LEU HD2% 1.0 1.8 4.2 2535 1594 A 543 PHE HD% B 885 LEU HD2% 1.0 1.8 4.2 2536 1595 A 505 ASP HA A 508 VAL HG2% 1.0 1.8 3.3 2537 1596 A 508 VAL HA A 508 VAL HG2% 1.0 1.8 2.8 2538 1597 B 879 LEU HD2% A 508 VAL HG2% 1.0 1.8 2.8 2539 1598 B 879 LEU HD1% A 508 VAL HG2% 1.0 1.8 2.8 2540 1599 A 508 VAL HB A 508 VAL HG2% 1.0 1.8 2.8 2541 1600 A 508 VAL H A 508 VAL HG2% 1.0 1.8 2.8 2542 1601 A 517 LEU HD1% A 517 LEU HB2 1.0 1.8 2.8 2543 1601 A 517 LEU HB3 A 517 LEU HD1% 1.0 1.8 2.8 2544 1602 A 517 LEU HD1% A 519 GLU HB2 1.0 1.8 3.3 2545 1602 A 517 LEU HD1% A 519 GLU HB3 1.0 1.8 3.3 2546 1603 A 517 LEU HD1% A 519 GLU HG2 1.0 1.8 4.2 2547 1603 A 517 LEU HD1% A 519 GLU HG3 1.0 1.8 4.2 2548 1604 A 517 LEU HD1% A 517 LEU HA 1.0 1.8 2.8 2549 1605 A 514 LEU HA A 517 LEU HD1% 1.0 1.8 4.2 2550 1606 A 517 LEU HD1% A 519 GLU H 1.0 1.8 4.2 2551 1607 A 517 LEU HD1% A 518 ARG H 1.0 1.8 4.2 2552 1608 A 547 LEU HD2% A 547 LEU HB2 1.0 1.8 2.8 2553 1608 A 547 LEU HD2% A 547 LEU HB3 1.0 1.8 2.8 2554 1609 A 501 LYS HE2 A 501 LYS HG2 1.0 1.8 4.2 2555 1609 A 501 LYS HE3 A 501 LYS HG2 1.0 1.8 4.2 2556 1609 A 501 LYS HG3 A 501 LYS HE2 1.0 1.8 4.2 2557 1609 A 501 LYS HG3 A 501 LYS HE3 1.0 1.8 4.2 2558 1610 A 501 LYS HA A 501 LYS HG2 1.0 1.8 3.3 2559 1610 A 501 LYS HA A 501 LYS HG3 1.0 1.8 3.3 2560 1611 A 501 LYS H A 501 LYS HG2 1.0 1.8 4.2 2561 1611 A 501 LYS H A 501 LYS HG3 1.0 1.8 4.2 2562 1612 A 502 ALA H A 501 LYS HG2 1.0 1.8 4.2 2563 1612 A 502 ALA H A 501 LYS HG3 1.0 1.8 4.2 2564 1613 A 552 LYS HE2 A 552 LYS HG2 1.0 1.8 4.2 2565 1613 A 552 LYS HE3 A 552 LYS HG2 1.0 1.8 4.2 2566 1613 A 552 LYS HG3 A 552 LYS HE2 1.0 1.8 4.2 2567 1613 A 552 LYS HG3 A 552 LYS HE3 1.0 1.8 4.2 2568 1614 A 552 LYS HE2 A 552 LYS HG2 1.0 1.8 4.2 2569 1614 A 552 LYS HE3 A 552 LYS HG2 1.0 1.8 4.2 2570 1614 A 552 LYS HG3 A 552 LYS HE2 1.0 1.8 4.2 2571 1614 A 552 LYS HG3 A 552 LYS HE3 1.0 1.8 4.2 2572 1615 A 552 LYS HA A 552 LYS HG2 1.0 1.8 4.2 2573 1615 A 552 LYS HA A 552 LYS HG3 1.0 1.8 4.2 2574 1616 A 503 TYR HE% A 552 LYS HG2 1.0 1.8 4.2 2575 1616 A 503 TYR HE% A 552 LYS HG3 1.0 1.8 4.2 2576 1617 A 552 LYS H A 552 LYS HG2 1.0 1.8 4.2 2577 1617 A 552 LYS H A 552 LYS HG3 1.0 1.8 4.2 2578 1618 A 557 LYS HA A 557 LYS HG2 1.0 1.8 4.2 2579 1618 A 557 LYS HG3 A 557 LYS HA 1.0 1.8 4.2 2580 1619 A 557 LYS H A 557 LYS HG2 1.0 1.8 4.2 2581 1619 A 557 LYS H A 557 LYS HG3 1.0 1.8 4.2 2582 1620 A 552 LYS HA A 552 LYS HG2 1.0 1.8 4.2 2583 1620 A 552 LYS HA A 552 LYS HG3 1.0 1.8 4.2 2584 1621 A 552 LYS HE2 A 552 LYS HG2 1.0 1.8 4.2 2585 1621 A 552 LYS HE3 A 552 LYS HG2 1.0 1.8 4.2 2586 1621 A 552 LYS HG3 A 552 LYS HE2 1.0 1.8 4.2 2587 1621 A 552 LYS HG3 A 552 LYS HE3 1.0 1.8 4.2 2588 1622 A 552 LYS HE2 A 552 LYS HG2 1.0 1.8 4.2 2589 1622 A 552 LYS HE3 A 552 LYS HG2 1.0 1.8 4.2 2590 1622 A 552 LYS HG3 A 552 LYS HE2 1.0 1.8 4.2 2591 1622 A 552 LYS HG3 A 552 LYS HE3 1.0 1.8 4.2 2592 1623 A 503 TYR HE% A 552 LYS HG2 1.0 1.8 5.5 2593 1623 A 503 TYR HE% A 552 LYS HG3 1.0 1.8 5.5 2594 1624 A 552 LYS H A 552 LYS HG2 1.0 1.8 4.2 2595 1624 A 552 LYS H A 552 LYS HG3 1.0 1.8 4.2 2596 1625 A 510 LEU HD1% A 510 LEU HB2 1.0 1.8 2.8 2597 1625 A 510 LEU HB3 A 510 LEU HD1% 1.0 1.8 2.8 2598 1626 A 510 LEU HD1% A 510 LEU HB2 1.0 1.8 2.8 2599 1626 A 510 LEU HB3 A 510 LEU HD1% 1.0 1.8 2.8 2600 1627 A 510 LEU HA A 510 LEU HD1% 1.0 1.8 2.8 2601 1628 A 514 LEU HA A 514 LEU HD2% 1.0 1.8 2.8 2602 1629 A 504 LEU HD2% A 504 LEU HB2 1.0 1.8 3.3 2603 1629 A 504 LEU HB3 A 504 LEU HD2% 1.0 1.8 3.3 2604 1630 A 504 LEU HD2% A 504 LEU HB2 1.0 1.8 3.3 2605 1630 A 504 LEU HB3 A 504 LEU HD2% 1.0 1.8 3.3 2606 1631 A 504 LEU HD2% B 877 ASN HB2 1.0 1.8 4.2 2607 1631 B 877 ASN HB3 A 504 LEU HD2% 1.0 1.8 4.2 2608 1632 A 501 LYS HA A 504 LEU HD2% 1.0 1.8 4.2 2609 1633 A 505 ASP H A 504 LEU HD2% 1.0 1.8 5.5 2610 1634 A 504 LEU H A 504 LEU HD2% 1.0 1.8 4.2 2611 1635 A 558 LEU HA A 558 LEU HD2% 1.0 1.8 2.8 2612 1636 A 530 ILE HG2% A 558 LEU HD2% 1.0 1.8 3.3 2613 1637 A 526 ILE HA A 558 LEU HD2% 1.0 1.8 4.2 2614 1638 A 561 TYR HE% A 558 LEU HD2% 1.0 1.8 4.2 2615 1639 A 561 TYR HD% A 558 LEU HD2% 1.0 1.8 4.2 2616 1640 A 521 HIS H A 523 LEU HB2 1.0 1.8 5.5 2617 1640 A 523 LEU HB3 A 521 HIS H 1.0 1.8 5.5 2618 1641 B 885 LEU HG B 885 LEU HB2 1.0 1.8 3.3 2619 1641 B 885 LEU HB3 B 885 LEU HG 1.0 1.8 3.3 2620 1642 B 883 ILE HG2% B 883 ILE HG12 1.0 1.8 3.3 2621 1642 B 883 ILE HG13 B 883 ILE HG2% 1.0 1.8 3.3 2622 1643 B 881 VAL HG1% B 883 ILE HG12 1.0 1.8 4.2 2623 1643 B 881 VAL HG1% B 883 ILE HG13 1.0 1.8 4.2 2624 1644 B 883 ILE HB B 883 ILE HG12 1.0 1.8 4.2 2625 1644 B 883 ILE HB B 883 ILE HG13 1.0 1.8 4.2 2626 1645 A 543 PHE HD% B 883 ILE HG12 1.0 1.8 4.2 2627 1645 B 883 ILE HG13 A 543 PHE HD% 1.0 1.8 4.2 2628 1646 B 883 ILE HA B 883 ILE HG12 1.0 1.8 4.2 2629 1646 B 883 ILE HG13 B 883 ILE HA 1.0 1.8 4.2 2630 1647 B 883 ILE H B 883 ILE HG12 1.0 1.8 4.2 2631 1647 B 883 ILE H B 883 ILE HG13 1.0 1.8 4.2 2632 1648 A 526 ILE HA A 526 ILE HG12 1.0 1.8 4.2 2633 1648 A 526 ILE HG13 A 526 ILE HA 1.0 1.8 4.2 2634 1649 A 561 TYR HD% A 526 ILE HG12 1.0 1.8 4.2 2635 1649 A 526 ILE HG13 A 561 TYR HD% 1.0 1.8 4.2 2636 1650 B 879 LEU HD2% B 879 LEU HG 1.0 1.8 3.3 2637 1651 B 879 LEU HG B 879 LEU HB2 1.0 1.8 3.3 2638 1651 B 879 LEU HB3 B 879 LEU HG 1.0 1.8 3.3 2639 1652 B 879 LEU H B 879 LEU HG 1.0 1.8 4.2 2640 1653 A 507 LEU HA A 507 LEU HG 1.0 1.8 4.2 2641 1654 A 507 LEU H A 507 LEU HG 1.0 1.8 3.3 2642 1655 B 879 LEU H B 879 LEU HA 1.0 1.8 4.2 2643 1656 B 879 LEU HA B 879 LEU HD2% 1.0 1.8 2.8 2644 1657 B 879 LEU HA B 879 LEU HD1% 1.0 1.8 4.2 2645 1658 B 879 LEU HA B 879 LEU HB2 1.0 1.8 3.3 2646 1658 B 879 LEU HA B 879 LEU HB3 1.0 1.8 3.3 2647 1659 B 879 LEU HA B 879 LEU HG 1.0 1.8 4.2 2648 1660 B 879 LEU HA B 880 PRO HD2 1.0 1.8 3.3 2649 1660 B 879 LEU HA B 880 PRO HD3 1.0 1.8 3.3 2650 1661 B 879 LEU HA B 880 PRO HD2 1.0 1.8 2.8 2651 1661 B 879 LEU HA B 880 PRO HD3 1.0 1.8 2.8 2652 1662 A 517 LEU HD2% A 517 LEU HB2 1.0 1.8 3.3 2653 1662 A 517 LEU HB3 A 517 LEU HD2% 1.0 1.8 3.3 2654 1663 B 890 LEU HA B 890 LEU HB2 1.0 1.8 2.8 2655 1663 B 890 LEU HB3 B 890 LEU HA 1.0 1.8 2.8 2656 1664 A 511 HIS HA B 881 VAL HG2% 1.0 1.8 4.2 2657 1665 A 531 GLU HA A 531 GLU HB2 1.0 1.8 4.2 2658 1665 A 531 GLU HA A 531 GLU HB3 1.0 1.8 4.2 2659 1666 A 532 GLU H A 531 GLU HB2 1.0 1.8 4.2 2660 1666 A 531 GLU HB3 A 532 GLU H 1.0 1.8 4.2 2661 1667 A 531 GLU H A 531 GLU HB2 1.0 1.8 4.2 2662 1667 A 531 GLU H A 531 GLU HB3 1.0 1.8 4.2 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 501 LYS C A 502 ALA N A 502 ALA CA A 502 ALA C 1.0 -84.1 -44.1 PHI 2 2 A 502 ALA N A 502 ALA CA A 502 ALA C A 503 TYR N 1.0 -60.5 -20.5 PSI 3 3 A 502 ALA C A 503 TYR N A 503 TYR CA A 503 TYR C 1.0 -86.6 -46.6 PHI 4 4 A 503 TYR N A 503 TYR CA A 503 TYR C A 504 LEU N 1.0 -61.0 -21.0 PSI 5 5 A 503 TYR C A 504 LEU N A 504 LEU CA A 504 LEU C 1.0 -84.4 -44.4 PHI 6 6 A 504 LEU N A 504 LEU CA A 504 LEU C A 505 ASP N 1.0 -63.7 -23.7 PSI 7 7 A 504 LEU C A 505 ASP N A 505 ASP CA A 505 ASP C 1.0 -81.5 -41.5 PHI 8 8 A 505 ASP N A 505 ASP CA A 505 ASP C A 506 GLU N 1.0 -60.3 -20.3 PSI 9 9 A 505 ASP C A 506 GLU N A 506 GLU CA A 506 GLU C 1.0 -86.7 -46.7 PHI 10 10 A 506 GLU N A 506 GLU CA A 506 GLU C A 507 LEU N 1.0 -60.8 -20.8 PSI 11 11 A 506 GLU C A 507 LEU N A 507 LEU CA A 507 LEU C 1.0 -84.4 -44.4 PHI 12 12 A 507 LEU N A 507 LEU CA A 507 LEU C A 508 VAL N 1.0 -59.5 -19.5 PSI 13 13 A 507 LEU C A 508 VAL N A 508 VAL CA A 508 VAL C 1.0 -83.0 -43.0 PHI 14 14 A 508 VAL N A 508 VAL CA A 508 VAL C A 509 GLU N 1.0 -62.0 -22.0 PSI 15 15 A 508 VAL C A 509 GLU N A 509 GLU CA A 509 GLU C 1.0 -84.2 -44.2 PHI 16 16 A 509 GLU N A 509 GLU CA A 509 GLU C A 510 LEU N 1.0 -64.8 -24.8 PSI 17 17 A 509 GLU C A 510 LEU N A 510 LEU CA A 510 LEU C 1.0 -83.3 -43.3 PHI 18 18 A 510 LEU N A 510 LEU CA A 510 LEU C A 511 HIS N 1.0 -60.7 -20.7 PSI 19 19 A 510 LEU C A 511 HIS N A 511 HIS CA A 511 HIS C 1.0 -81.9 -41.9 PHI 20 20 A 511 HIS N A 511 HIS CA A 511 HIS C A 512 ARG N 1.0 -63.9 -23.9 PSI 21 21 A 511 HIS C A 512 ARG N A 512 ARG CA A 512 ARG C 1.0 -80.2 -40.2 PHI 22 22 A 512 ARG N A 512 ARG CA A 512 ARG C A 513 ARG N 1.0 -62.9 -22.9 PSI 23 23 A 512 ARG C A 513 ARG N A 513 ARG CA A 513 ARG C 1.0 -85.1 -45.1 PHI 24 24 A 513 ARG N A 513 ARG CA A 513 ARG C A 514 LEU N 1.0 -62.1 -22.1 PSI 25 25 A 513 ARG C A 514 LEU N A 514 LEU CA A 514 LEU C 1.0 -84.8 -44.8 PHI 26 26 A 514 LEU N A 514 LEU CA A 514 LEU C A 515 MET N 1.0 -63.4 -23.4 PSI 27 27 A 514 LEU C A 515 MET N A 515 MET CA A 515 MET C 1.0 -93.2 -42.8 PHI 28 28 A 515 MET N A 515 MET CA A 515 MET C A 516 THR N 1.0 -59.5 -4.7 PSI 29 29 A 515 MET C A 516 THR N A 516 THR CA A 516 THR C 1.0 -122.7 -80.7 PHI 30 30 A 516 THR N A 516 THR CA A 516 THR C A 517 LEU N 1.0 -32.3 17.7 PSI 31 31 A 516 THR C A 517 LEU N A 517 LEU CA A 517 LEU C 1.0 -91.2 -51.2 PHI 32 32 A 517 LEU N A 517 LEU CA A 517 LEU C A 518 ARG N 1.0 117.4 164.6 PSI 33 33 A 517 LEU C A 518 ARG N A 518 ARG CA A 518 ARG C 1.0 -136.1 -57.1 PHI 34 34 A 519 GLU C A 520 ARG N A 520 ARG CA A 520 ARG C 1.0 -76.1 -36.1 PHI 35 35 A 520 ARG N A 520 ARG CA A 520 ARG C A 521 HIS N 1.0 -67.2 -23.8 PSI 36 36 A 520 ARG C A 521 HIS N A 521 HIS CA A 521 HIS C 1.0 -79.8 -39.8 PHI 37 37 A 521 HIS N A 521 HIS CA A 521 HIS C A 522 ILE N 1.0 -62.7 -22.7 PSI 38 38 A 521 HIS C A 522 ILE N A 522 ILE CA A 522 ILE C 1.0 -87.7 -47.7 PHI 39 39 A 522 ILE N A 522 ILE CA A 522 ILE C A 523 LEU N 1.0 -59.6 -19.6 PSI 40 40 A 522 ILE C A 523 LEU N A 523 LEU CA A 523 LEU C 1.0 -84.4 -44.4 PHI 41 41 A 523 LEU N A 523 LEU CA A 523 LEU C A 524 GLN N 1.0 -60.8 -20.8 PSI 42 42 A 523 LEU C A 524 GLN N A 524 GLN CA A 524 GLN C 1.0 -81.6 -41.6 PHI 43 43 A 524 GLN N A 524 GLN CA A 524 GLN C A 525 GLN N 1.0 -59.2 -19.2 PSI 44 44 A 524 GLN C A 525 GLN N A 525 GLN CA A 525 GLN C 1.0 -83.4 -43.4 PHI 45 45 A 525 GLN N A 525 GLN CA A 525 GLN C A 526 ILE N 1.0 -61.2 -21.2 PSI 46 46 A 525 GLN C A 526 ILE N A 526 ILE CA A 526 ILE C 1.0 -85.1 -45.1 PHI 47 47 A 526 ILE N A 526 ILE CA A 526 ILE C A 527 VAL N 1.0 -62.7 -22.7 PSI 48 48 A 526 ILE C A 527 VAL N A 527 VAL CA A 527 VAL C 1.0 -84.5 -44.5 PHI 49 49 A 527 VAL N A 527 VAL CA A 527 VAL C A 528 ASN N 1.0 -62.0 -22.0 PSI 50 50 A 527 VAL C A 528 ASN N A 528 ASN CA A 528 ASN C 1.0 -80.3 -40.3 PHI 51 51 A 528 ASN N A 528 ASN CA A 528 ASN C A 529 LEU N 1.0 -64.1 -21.1 PSI 52 52 A 528 ASN C A 529 LEU N A 529 LEU CA A 529 LEU C 1.0 -83.3 -43.3 PHI 53 53 A 529 LEU N A 529 LEU CA A 529 LEU C A 530 ILE N 1.0 -65.1 -25.1 PSI 54 54 A 529 LEU C A 530 ILE N A 530 ILE CA A 530 ILE C 1.0 -86.3 -46.3 PHI 55 55 A 530 ILE N A 530 ILE CA A 530 ILE C A 531 GLU N 1.0 -56.8 -16.8 PSI 56 56 A 530 ILE C A 531 GLU N A 531 GLU CA A 531 GLU C 1.0 -81.4 -41.4 PHI 57 57 A 531 GLU N A 531 GLU CA A 531 GLU C A 532 GLU N 1.0 -60.6 -20.6 PSI 58 58 A 531 GLU C A 532 GLU N A 532 GLU CA A 532 GLU C 1.0 -103.2 -59.6 PHI 59 59 A 532 GLU N A 532 GLU CA A 532 GLU C A 533 THR N 1.0 -60.2 -6.6 PSI 60 60 A 532 GLU C A 533 THR N A 533 THR CA A 533 THR C 1.0 -125.0 -69.8 PHI 61 61 A 533 THR N A 533 THR CA A 533 THR C A 534 GLY N 1.0 -56.1 2.9 PSI 62 62 A 535 HIS C A 536 PHE N A 536 PHE CA A 536 PHE C 1.0 -169.1 -129.1 PHI 63 63 A 536 PHE N A 536 PHE CA A 536 PHE C A 537 HIS N 1.0 127.3 188.3 PSI 64 64 A 536 PHE C A 537 HIS N A 537 HIS CA A 537 HIS C 1.0 -169.3 -89.7 PHI 65 65 A 537 HIS N A 537 HIS CA A 537 HIS C A 538 ILE N 1.0 94.5 167.3 PSI 66 66 A 537 HIS C A 538 ILE N A 538 ILE CA A 538 ILE C 1.0 -142.2 -83.0 PHI 67 67 A 538 ILE N A 538 ILE CA A 538 ILE C A 539 THR N 1.0 121.9 163.7 PSI 68 68 A 538 ILE C A 539 THR N A 539 THR CA A 539 THR C 1.0 -160.7 -67.7 PHI 69 69 A 539 THR N A 539 THR CA A 539 THR C A 540 ASN N 1.0 141.3 199.9 PSI 70 70 A 540 ASN C A 541 THR N A 541 THR CA A 541 THR C 1.0 -151.2 -46.6 PHI 71 71 A 541 THR N A 541 THR CA A 541 THR C A 542 THR N 1.0 78.9 198.5 PSI 72 72 A 541 THR C A 542 THR N A 542 THR CA A 542 THR C 1.0 -171.9 -109.1 PHI 73 73 A 542 THR N A 542 THR CA A 542 THR C A 543 PHE N 1.0 133.1 173.1 PSI 74 74 A 542 THR C A 543 PHE N A 543 PHE CA A 543 PHE C 1.0 -166.9 -84.7 PHI 75 75 A 543 PHE N A 543 PHE CA A 543 PHE C A 544 ASP N 1.0 100.6 152.2 PSI 76 76 A 543 PHE C A 544 ASP N A 544 ASP CA A 544 ASP C 1.0 -152.1 -68.9 PHI 77 77 A 544 ASP N A 544 ASP CA A 544 ASP C A 545 PHE N 1.0 115.9 176.9 PSI 78 78 A 544 ASP C A 545 PHE N A 545 PHE CA A 545 PHE C 1.0 -187.2 -110.0 PHI 79 79 A 545 PHE N A 545 PHE CA A 545 PHE C A 546 ASP N 1.0 136.5 179.5 PSI 80 80 A 545 PHE C A 546 ASP N A 546 ASP CA A 546 ASP C 1.0 -141.0 -51.4 PHI 81 81 A 546 ASP N A 546 ASP CA A 546 ASP C A 547 LEU N 1.0 107.2 165.4 PSI 82 82 A 546 ASP C A 547 LEU N A 547 LEU CA A 547 LEU C 1.0 -78.5 -38.5 PHI 83 83 A 547 LEU N A 547 LEU CA A 547 LEU C A 548 CYS N 1.0 -62.4 -9.6 PSI 84 84 A 547 LEU C A 548 CYS N A 548 CYS CA A 548 CYS C 1.0 -91.4 -45.4 PHI 85 85 A 548 CYS N A 548 CYS CA A 548 CYS C A 549 SER N 1.0 -45.5 12.1 PSI 86 86 A 548 CYS C A 549 SER N A 549 SER CA A 549 SER C 1.0 -119.0 -79.0 PHI 87 87 A 549 SER N A 549 SER CA A 549 SER C A 550 LEU N 1.0 -33.4 34.4 PSI 88 88 A 549 SER C A 550 LEU N A 550 LEU CA A 550 LEU C 1.0 -187.8 -49.6 PHI 89 89 A 550 LEU N A 550 LEU CA A 550 LEU C A 551 ASP N 1.0 113.7 184.5 PSI 90 90 A 550 LEU C A 551 ASP N A 551 ASP CA A 551 ASP C 1.0 -150.0 -30.8 PHI 91 91 A 551 ASP N A 551 ASP CA A 551 ASP C A 552 LYS N 1.0 94.0 207.4 PSI 92 92 A 551 ASP C A 552 LYS N A 552 LYS CA A 552 LYS C 1.0 -80.1 -40.1 PHI 93 93 A 552 LYS N A 552 LYS CA A 552 LYS C A 553 THR N 1.0 -54.7 -14.7 PSI 94 94 A 552 LYS C A 553 THR N A 553 THR CA A 553 THR C 1.0 -83.8 -43.8 PHI 95 95 A 553 THR N A 553 THR CA A 553 THR C A 554 THR N 1.0 -57.9 -11.9 PSI 96 96 A 553 THR C A 554 THR N A 554 THR CA A 554 THR C 1.0 -87.1 -47.1 PHI 97 97 A 554 THR N A 554 THR CA A 554 THR C A 555 VAL N 1.0 -59.8 -19.8 PSI 98 98 A 554 THR C A 555 VAL N A 555 VAL CA A 555 VAL C 1.0 -84.1 -44.1 PHI 99 99 A 555 VAL N A 555 VAL CA A 555 VAL C A 556 ARG N 1.0 -63.5 -23.5 PSI 100 100 A 555 VAL C A 556 ARG N A 556 ARG CA A 556 ARG C 1.0 -83.8 -43.8 PHI 101 101 A 556 ARG N A 556 ARG CA A 556 ARG C A 557 LYS N 1.0 -61.4 -21.4 PSI 102 102 A 556 ARG C A 557 LYS N A 557 LYS CA A 557 LYS C 1.0 -84.8 -44.8 PHI 103 103 A 557 LYS N A 557 LYS CA A 557 LYS C A 558 LEU N 1.0 -63.1 -23.1 PSI 104 104 A 557 LYS C A 558 LEU N A 558 LEU CA A 558 LEU C 1.0 -81.5 -41.5 PHI 105 105 A 558 LEU N A 558 LEU CA A 558 LEU C A 559 GLN N 1.0 -66.4 -26.4 PSI 106 106 A 558 LEU C A 559 GLN N A 559 GLN CA A 559 GLN C 1.0 -79.6 -39.6 PHI 107 107 A 559 GLN N A 559 GLN CA A 559 GLN C A 560 SER N 1.0 -59.9 -19.9 PSI 108 108 A 559 GLN C A 560 SER N A 560 SER CA A 560 SER C 1.0 -84.7 -44.7 PHI 109 109 A 560 SER N A 560 SER CA A 560 SER C A 561 TYR N 1.0 -64.4 -24.4 PSI 110 110 A 560 SER C A 561 TYR N A 561 TYR CA A 561 TYR C 1.0 -86.7 -46.7 PHI 111 111 A 561 TYR N A 561 TYR CA A 561 TYR C A 562 LEU N 1.0 -57.5 -7.9 PSI 112 112 A 561 TYR C A 562 LEU N A 562 LEU CA A 562 LEU C 1.0 -110.2 -40.8 PHI 113 113 A 562 LEU N A 562 LEU CA A 562 LEU C A 563 GLU N 1.0 -60.7 9.3 PSI 114 114 B 876 THR C B 877 ASN N B 877 ASN CA B 877 ASN C 1.0 -123.1 -69.3 PHI 115 115 B 877 ASN N B 877 ASN CA B 877 ASN C B 878 LYS N 1.0 -63.8 38.0 PSI 116 116 B 878 LYS C B 879 LEU N B 879 LEU CA B 879 LEU C 1.0 -145.3 -66.5 PHI 117 117 B 879 LEU N B 879 LEU CA B 879 LEU C B 880 PRO N 1.0 89.4 172.4 PSI 118 118 B 879 LEU C B 880 PRO N B 880 PRO CA B 880 PRO C 1.0 -90.6 -41.6 PHI 119 119 B 880 PRO N B 880 PRO CA B 880 PRO C B 881 VAL N 1.0 114.1 164.7 PSI 120 120 B 880 PRO C B 881 VAL N B 881 VAL CA B 881 VAL C 1.0 -148.9 -71.9 PHI 121 121 B 881 VAL N B 881 VAL CA B 881 VAL C B 882 SER N 1.0 108.0 163.2 PSI 122 122 B 881 VAL C B 882 SER N B 882 SER CA B 882 SER C 1.0 -153.3 -76.9 PHI 123 123 B 882 SER N B 882 SER CA B 882 SER C B 883 ILE N 1.0 102.5 146.3 PSI 124 124 B 882 SER C B 883 ILE N B 883 ILE CA B 883 ILE C 1.0 -157.7 -68.3 PHI 125 125 B 883 ILE N B 883 ILE CA B 883 ILE C B 884 PRO N 1.0 83.1 143.5 PSI 126 126 B 883 ILE C B 884 PRO N B 884 PRO CA B 884 PRO C 1.0 -82.9 -42.9 PHI 127 127 B 884 PRO N B 884 PRO CA B 884 PRO C B 885 LEU N 1.0 122.4 164.6 PSI 128 128 B 884 PRO C B 885 LEU N B 885 LEU CA B 885 LEU C 1.0 -76.4 -36.4 PHI 129 129 B 885 LEU N B 885 LEU CA B 885 LEU C B 886 ALA N 1.0 -54.8 -14.8 PSI 130 130 B 885 LEU C B 886 ALA N B 886 ALA CA B 886 ALA C 1.0 -89.7 -49.7 PHI 131 131 B 886 ALA N B 886 ALA CA B 886 ALA C B 887 SER N 1.0 -48.5 14.9 PSI 132 132 B 886 ALA C B 887 SER N B 887 SER CA B 887 SER C 1.0 -119.3 -63.7 PHI 133 133 B 887 SER N B 887 SER CA B 887 SER C B 888 VAL N 1.0 -72.5 37.7 PSI 134 134 B 887 SER C B 888 VAL N B 888 VAL CA B 888 VAL C 1.0 -165.4 -81.4 PHI 135 135 B 888 VAL N B 888 VAL CA B 888 VAL C B 889 VAL N 1.0 119.7 198.9 PSI 136 136 B 888 VAL C B 889 VAL N B 889 VAL CA B 889 VAL C 1.0 -139.4 -76.2 PHI 137 137 B 889 VAL N B 889 VAL CA B 889 VAL C B 890 LEU N 1.0 108.6 148.6 PSI 138 138 B 889 VAL C B 890 LEU N B 890 LEU CA B 890 LEU C 1.0 -109.6 -47.6 PHI 139 139 B 890 LEU N B 890 LEU CA B 890 LEU C B 891 PRO N 1.0 105.9 176.5 PSI stop_ save_