data_nef_c34229_6ffu save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 34227 PDB 6FFU 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 456 SER start . . 2 A 457 GLY middle . false 3 A 458 GLU middle . . 4 A 459 TYR middle . . 5 A 460 THR middle . . 6 A 461 GLU middle . . 7 A 462 ILE middle . . 8 A 463 ALA middle . . 9 A 464 LEU middle . . 10 A 465 PRO middle . true 11 A 466 PHE middle . . 12 A 467 SER middle . . 13 A 468 TYR middle . . 14 A 469 ASP middle . . 15 A 470 GLY middle . false 16 A 471 ALA middle . . 17 A 472 GLY middle . false 18 A 473 GLU middle . . 19 A 474 TYR middle . . 20 A 475 TYR middle . . 21 A 476 TRP middle . . 22 A 477 LYS middle . . 23 A 478 THR middle . . 24 A 479 ASP middle . . 25 A 480 GLN middle . . 26 A 481 PHE middle . . 27 A 482 SER middle . . 28 A 483 THR middle . . 29 A 484 ASP middle . . 30 A 485 PRO middle . false 31 A 486 ASN middle . . 32 A 487 ASP middle . . 33 A 488 TRP middle . . 34 A 489 SER middle . . 35 A 490 ARG middle . . 36 A 491 TYR middle . . 37 A 492 VAL middle . . 38 A 493 ASN middle . . 39 A 494 SER middle . . 40 A 495 TRP middle . . 41 A 496 ASN middle . . 42 A 497 LEU middle . . 43 A 498 ASP middle . . 44 A 499 LEU middle . . 45 A 500 LEU middle . . 46 A 501 GLU middle . . 47 A 502 ILE middle . . 48 A 503 ASN middle . . 49 A 504 GLY middle . false 50 A 505 THR middle . . 51 A 506 ASP middle . . 52 A 507 TYR middle . . 53 A 508 THR middle . . 54 A 509 ASN middle . . 55 A 510 VAL middle . . 56 A 511 TRP middle . . 57 A 512 VAL middle . . 58 A 513 ALA middle . . 59 A 514 GLN middle . . 60 A 515 HIS middle . . 61 A 516 GLN middle . . 62 A 517 ILE middle . . 63 A 518 PRO middle . false 64 A 519 ALA middle . . 65 A 520 ALA middle . . 66 A 521 SER middle . . 67 A 522 ASP middle . . 68 A 523 GLY middle . false 69 A 524 TYR middle . . 70 A 525 TRP middle . . 71 A 526 TYR middle . . 72 A 527 ILE middle . . 73 A 528 HIS middle . . 74 A 529 TYR middle . . 75 A 530 LYS middle . . 76 A 531 SER middle . . 77 A 532 GLY middle . false 78 A 533 VAL middle . . 79 A 534 SER middle . . 80 A 535 TRP middle . . 81 A 536 GLY middle . false 82 A 537 HIS middle . . 83 A 538 VAL middle . . 84 A 539 GLU middle . . 85 A 540 ILE middle . . 86 A 541 LYS end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 457 GLY HAx H 1 3.329 0.000 A 457 GLY HAy H 1 3.329 0.000 A 457 GLY C C 13 172.908 0.000 A 457 GLY CA C 13 44.787 0.003 A 458 GLU H H 1 8.052 0.003 A 458 GLU HA H 1 4.147 0.001 A 458 GLU HBy H 1 1.719 0.016 A 458 GLU HBx H 1 1.703 0.009 A 458 GLU HGy H 1 2.020 0.011 A 458 GLU HGx H 1 1.998 0.005 A 458 GLU C C 13 175.920 0.002 A 458 GLU CA C 13 56.316 0.032 A 458 GLU CB C 13 29.809 0.064 A 458 GLU CG C 13 35.936 0.018 A 458 GLU N N 15 120.024 0.032 A 459 TYR H H 1 8.291 0.001 A 459 TYR HA H 1 4.321 0.005 A 459 TYR HBy H 1 2.940 0.003 A 459 TYR HBx H 1 2.387 0.006 A 459 TYR HD1 H 1 7.210 0.000 A 459 TYR HD2 H 1 7.210 0.000 A 459 TYR HE1 H 1 6.743 0.000 A 459 TYR HE2 H 1 6.743 0.000 A 459 TYR C C 13 176.390 0.003 A 459 TYR CA C 13 58.207 0.085 A 459 TYR CB C 13 40.411 0.068 A 459 TYR CD2 C 13 134.572 0.000 A 459 TYR CE1 C 13 118.969 0.000 A 459 TYR N N 15 120.819 0.050 A 460 THR H H 1 8.818 0.001 A 460 THR HA H 1 4.480 0.007 A 460 THR HB H 1 4.310 0.001 A 460 THR HG2% H 1 1.373 0.002 A 460 THR C C 13 173.961 0.006 A 460 THR CA C 13 62.060 0.069 A 460 THR CB C 13 71.009 0.034 A 460 THR CG2 C 13 21.462 0.018 A 460 THR N N 15 120.278 0.052 A 461 GLU H H 1 9.031 0.001 A 461 GLU HA H 1 4.798 0.004 A 461 GLU HBy H 1 2.047 0.011 A 461 GLU HBx H 1 1.874 0.012 A 461 GLU HGx H 1 2.299 0.005 A 461 GLU HGy H 1 2.299 0.005 A 461 GLU C C 13 176.368 0.008 A 461 GLU CA C 13 56.993 0.028 A 461 GLU CB C 13 30.152 0.063 A 461 GLU CG C 13 36.673 0.064 A 461 GLU N N 15 128.976 0.060 A 462 ILE H H 1 8.223 0.002 A 462 ILE HA H 1 4.528 0.001 A 462 ILE HB H 1 1.142 0.003 A 462 ILE HD1% H 1 -0.530 0.001 A 462 ILE HG1y H 1 0.879 0.002 A 462 ILE HG1x H 1 0.478 0.005 A 462 ILE HG2% H 1 0.018 0.002 A 462 ILE C C 13 173.792 0.015 A 462 ILE CA C 13 59.574 0.053 A 462 ILE CB C 13 40.927 0.037 A 462 ILE CD1 C 13 12.393 0.029 A 462 ILE CG1 C 13 24.647 0.098 A 462 ILE CG2 C 13 18.329 0.054 A 462 ILE N N 15 119.197 0.044 A 463 ALA H H 1 8.077 0.002 A 463 ALA HA H 1 4.464 0.003 A 463 ALA HB% H 1 1.314 0.001 A 463 ALA C C 13 175.443 0.002 A 463 ALA CA C 13 50.133 0.062 A 463 ALA CB C 13 20.647 0.039 A 463 ALA N N 15 124.814 0.049 A 464 LEU H H 1 8.083 0.002 A 464 LEU HA H 1 4.325 0.006 A 464 LEU HBx H 1 1.082 0.009 A 464 LEU HBy H 1 1.431 0.006 A 464 LEU HDx% H 1 0.497 0.001 A 464 LEU HDy% H 1 0.504 0.002 A 464 LEU HG H 1 1.543 0.001 A 464 LEU C C 13 175.827 0.000 A 464 LEU CA C 13 51.936 0.020 A 464 LEU CB C 13 40.410 0.071 A 464 LEU CD1 C 13 23.908 0.006 A 464 LEU CD2 C 13 25.154 0.031 A 464 LEU CG C 13 26.883 0.023 A 464 LEU N N 15 118.015 0.057 A 465 PRO HA H 1 4.499 0.002 A 465 PRO HBx H 1 2.060 0.002 A 465 PRO HBy H 1 2.425 0.002 A 465 PRO HDy H 1 3.539 0.008 A 465 PRO HDx H 1 3.438 0.016 A 465 PRO HGx H 1 1.834 0.015 A 465 PRO HGy H 1 1.849 0.016 A 465 PRO C C 13 174.998 0.000 A 465 PRO CA C 13 62.551 0.031 A 465 PRO CB C 13 35.169 0.055 A 465 PRO CD C 13 50.709 0.025 A 465 PRO CG C 13 25.017 0.038 A 466 PHE H H 1 9.154 0.001 A 466 PHE HA H 1 4.836 0.007 A 466 PHE HBy H 1 3.414 0.004 A 466 PHE HBx H 1 2.171 0.005 A 466 PHE HD1 H 1 6.553 0.000 A 466 PHE HD2 H 1 6.553 0.000 A 466 PHE HE1 H 1 6.006 0.000 A 466 PHE HE2 H 1 6.006 0.000 A 466 PHE C C 13 173.700 0.006 A 466 PHE CA C 13 56.997 0.044 A 466 PHE CB C 13 44.943 0.038 A 466 PHE CD2 C 13 130.113 0.000 A 466 PHE CE2 C 13 132.453 0.000 A 466 PHE N N 15 123.368 0.041 A 467 SER H H 1 7.165 0.004 A 467 SER HA H 1 4.478 0.007 A 467 SER HBy H 1 3.535 0.016 A 467 SER HBx H 1 3.507 0.012 A 467 SER C C 13 170.447 0.003 A 467 SER CA C 13 56.771 0.069 A 467 SER CB C 13 65.912 0.008 A 467 SER N N 15 121.346 0.041 A 468 TYR H H 1 8.065 0.003 A 468 TYR HA H 1 3.921 0.003 A 468 TYR HBy H 1 2.196 0.003 A 468 TYR HBx H 1 2.066 0.002 A 468 TYR HD1 H 1 6.586 0.000 A 468 TYR HD2 H 1 6.586 0.000 A 468 TYR HE1 H 1 6.846 0.000 A 468 TYR HE2 H 1 6.846 0.000 A 468 TYR C C 13 171.701 0.003 A 468 TYR CA C 13 59.015 0.042 A 468 TYR CB C 13 42.983 0.053 A 468 TYR CD1 C 13 129.608 0.000 A 468 TYR CE2 C 13 118.065 0.000 A 468 TYR N N 15 121.159 0.050 A 469 ASP H H 1 6.540 0.005 A 469 ASP HA H 1 5.663 0.001 A 469 ASP HBy H 1 2.586 0.011 A 469 ASP HBx H 1 2.144 0.018 A 469 ASP C C 13 174.396 0.012 A 469 ASP CA C 13 52.604 0.031 A 469 ASP CB C 13 44.883 0.039 A 469 ASP N N 15 124.099 0.038 A 470 GLY H H 1 8.370 0.002 A 470 GLY HAy H 1 4.643 0.005 A 470 GLY HAx H 1 4.076 0.005 A 470 GLY C C 13 173.871 0.024 A 470 GLY CA C 13 44.310 0.032 A 470 GLY N N 15 107.993 0.077 A 471 ALA H H 1 8.601 0.002 A 471 ALA HA H 1 4.248 0.005 A 471 ALA HB% H 1 1.079 0.002 A 471 ALA C C 13 177.701 0.000 A 471 ALA CA C 13 51.422 0.053 A 471 ALA CB C 13 20.153 0.029 A 471 ALA N N 15 122.329 0.042 A 472 GLY H H 1 8.948 0.002 A 472 GLY HAy H 1 4.536 0.003 A 472 GLY HAx H 1 3.687 0.004 A 472 GLY C C 13 170.838 0.002 A 472 GLY CA C 13 44.376 0.019 A 472 GLY N N 15 108.862 0.056 A 473 GLU H H 1 7.403 0.003 A 473 GLU HA H 1 5.331 0.002 A 473 GLU HBy H 1 1.761 0.003 A 473 GLU HBx H 1 1.554 0.014 A 473 GLU HGx H 1 1.897 0.004 A 473 GLU HGy H 1 2.094 0.007 A 473 GLU C C 13 173.813 0.000 A 473 GLU CA C 13 54.046 0.063 A 473 GLU CB C 13 31.554 0.065 A 473 GLU CG C 13 35.799 0.035 A 473 GLU N N 15 120.184 0.045 A 474 TYR H H 1 8.451 0.003 A 474 TYR HA H 1 4.359 0.001 A 474 TYR HBy H 1 1.644 0.005 A 474 TYR HBx H 1 0.651 0.002 A 474 TYR HD1 H 1 6.518 0.000 A 474 TYR HD2 H 1 6.518 0.000 A 474 TYR HE1 H 1 6.085 0.000 A 474 TYR HE2 H 1 6.085 0.000 A 474 TYR C C 13 172.448 0.026 A 474 TYR CA C 13 56.417 0.029 A 474 TYR CB C 13 42.943 0.042 A 474 TYR CD1 C 13 134.046 0.000 A 474 TYR CE2 C 13 118.209 0.000 A 474 TYR N N 15 123.009 0.049 A 475 TYR H H 1 7.854 0.002 A 475 TYR HA H 1 4.886 0.001 A 475 TYR HBy H 1 2.227 0.005 A 475 TYR HBx H 1 1.505 0.008 A 475 TYR HD1 H 1 6.921 0.000 A 475 TYR HD2 H 1 6.921 0.000 A 475 TYR HE1 H 1 6.038 0.000 A 475 TYR HE2 H 1 6.038 0.000 A 475 TYR C C 13 175.013 0.025 A 475 TYR CA C 13 56.665 0.034 A 475 TYR CB C 13 38.384 0.070 A 475 TYR CD1 C 13 133.784 0.000 A 475 TYR CE2 C 13 116.916 0.000 A 475 TYR N N 15 120.185 0.046 A 476 TRP H H 1 9.635 0.002 A 476 TRP HA H 1 6.259 0.002 A 476 TRP HBy H 1 2.883 0.019 A 476 TRP HBx H 1 2.782 0.000 A 476 TRP HD1 H 1 6.878 0.000 A 476 TRP HE1 H 1 9.707 0.002 A 476 TRP HE3 H 1 6.988 0.000 A 476 TRP HH2 H 1 5.481 0.000 A 476 TRP HZ2 H 1 5.647 0.000 A 476 TRP HZ3 H 1 6.555 0.000 A 476 TRP C C 13 174.760 0.008 A 476 TRP CA C 13 55.067 0.042 A 476 TRP CB C 13 33.274 0.070 A 476 TRP CD1 C 13 126.335 0.000 A 476 TRP CE3 C 13 121.467 0.000 A 476 TRP CH2 C 13 122.996 0.000 A 476 TRP CZ2 C 13 114.573 0.000 A 476 TRP CZ3 C 13 120.753 0.000 A 476 TRP N N 15 125.429 0.061 A 476 TRP NE1 N 15 128.543 0.001 A 477 LYS H H 1 8.940 0.002 A 477 LYS HA H 1 5.924 0.003 A 477 LYS HBy H 1 1.304 0.013 A 477 LYS HBx H 1 1.151 0.007 A 477 LYS HDy H 1 1.257 0.000 A 477 LYS HDx H 1 0.816 0.000 A 477 LYS HEy H 1 2.436 0.000 A 477 LYS HEx H 1 2.356 0.000 A 477 LYS HGy H 1 0.931 0.002 A 477 LYS HGx H 1 0.866 0.012 A 477 LYS C C 13 173.598 0.009 A 477 LYS CA C 13 53.883 0.067 A 477 LYS CB C 13 37.149 0.075 A 477 LYS CD C 13 30.160 0.016 A 477 LYS CE C 13 41.900 0.010 A 477 LYS CG C 13 24.136 0.016 A 477 LYS N N 15 118.753 0.026 A 478 THR H H 1 8.397 0.003 A 478 THR HA H 1 5.014 0.001 A 478 THR HB H 1 4.358 0.004 A 478 THR HG2% H 1 1.016 0.003 A 478 THR C C 13 171.429 0.017 A 478 THR CA C 13 60.115 0.039 A 478 THR CB C 13 69.013 0.046 A 478 THR CG2 C 13 19.319 0.012 A 478 THR N N 15 114.250 0.049 A 479 ASP H H 1 8.436 0.003 A 479 ASP HA H 1 5.183 0.002 A 479 ASP HBy H 1 2.774 0.004 A 479 ASP HBx H 1 0.942 0.009 A 479 ASP C C 13 178.653 0.003 A 479 ASP CA C 13 53.196 0.037 A 479 ASP CB C 13 39.284 0.042 A 479 ASP N N 15 127.332 0.078 A 480 GLN H H 1 8.129 0.002 A 480 GLN HA H 1 4.378 0.001 A 480 GLN HBy H 1 2.598 0.006 A 480 GLN HBx H 1 1.597 0.003 A 480 GLN HE2x H 1 6.628 0.004 A 480 GLN HE2y H 1 7.644 0.003 A 480 GLN HGy H 1 2.496 0.002 A 480 GLN HGx H 1 2.422 0.001 A 480 GLN C C 13 175.754 0.000 A 480 GLN CA C 13 55.958 0.043 A 480 GLN CB C 13 29.545 0.053 A 480 GLN CD C 13 180.495 0.001 A 480 GLN CG C 13 33.489 0.025 A 480 GLN N N 15 117.179 0.050 A 480 GLN NE2 N 15 113.942 0.028 A 481 PHE H H 1 5.917 0.000 A 481 PHE HA H 1 3.621 0.001 A 481 PHE HBx H 1 -0.463 0.002 A 481 PHE HBy H 1 1.501 0.001 A 481 PHE HD1 H 1 6.122 0.000 A 481 PHE HD2 H 1 6.122 0.000 A 481 PHE HE1 H 1 6.581 0.000 A 481 PHE HE2 H 1 6.581 0.000 A 481 PHE C C 13 175.288 0.000 A 481 PHE CA C 13 56.631 0.048 A 481 PHE CB C 13 36.818 0.066 A 481 PHE CD2 C 13 128.409 0.000 A 481 PHE CE1 C 13 128.837 0.000 A 481 PHE N N 15 121.310 0.014 A 482 SER H H 1 8.439 0.002 A 482 SER HA H 1 4.174 0.003 A 482 SER HBy H 1 3.592 0.014 A 482 SER HBx H 1 3.550 0.016 A 482 SER C C 13 175.515 0.039 A 482 SER CA C 13 57.792 0.039 A 482 SER CB C 13 64.089 0.026 A 482 SER N N 15 112.855 0.058 A 483 THR H H 1 8.290 0.002 A 483 THR HA H 1 4.383 0.003 A 483 THR HB H 1 4.150 0.001 A 483 THR HG2% H 1 0.804 0.002 A 483 THR C C 13 174.352 0.000 A 483 THR CA C 13 60.051 0.025 A 483 THR CB C 13 69.454 0.000 A 483 THR CG2 C 13 21.803 0.055 A 483 THR N N 15 114.450 0.033 A 484 ASP H H 1 7.548 0.003 A 484 ASP HA H 1 4.749 0.001 A 484 ASP HBy H 1 2.779 0.000 A 484 ASP HBx H 1 2.610 0.001 A 484 ASP C C 13 174.783 0.000 A 484 ASP CA C 13 51.116 0.044 A 484 ASP CB C 13 42.138 0.030 A 484 ASP N N 15 124.896 0.049 A 485 PRO HA H 1 4.597 0.001 A 485 PRO HBy H 1 2.328 0.006 A 485 PRO HBx H 1 1.868 0.001 A 485 PRO HDy H 1 4.134 0.003 A 485 PRO HDx H 1 3.910 0.001 A 485 PRO HGy H 1 2.114 0.020 A 485 PRO HGx H 1 2.034 0.001 A 485 PRO C C 13 175.567 0.000 A 485 PRO CA C 13 63.081 0.051 A 485 PRO CB C 13 32.334 0.019 A 485 PRO CD C 13 51.143 0.018 A 485 PRO CG C 13 27.346 0.073 A 486 ASN H H 1 7.951 0.002 A 486 ASN HA H 1 4.681 0.000 A 486 ASN HBy H 1 2.880 0.001 A 486 ASN HBx H 1 2.557 0.006 A 486 ASN HD2x H 1 6.921 0.003 A 486 ASN HD2y H 1 7.858 0.002 A 486 ASN C C 13 174.308 0.003 A 486 ASN CA C 13 52.423 0.044 A 486 ASN CB C 13 39.406 0.055 A 486 ASN CG C 13 177.892 0.000 A 486 ASN N N 15 112.921 0.057 A 486 ASN ND2 N 15 115.468 0.064 A 487 ASP H H 1 7.342 0.004 A 487 ASP HA H 1 4.720 0.005 A 487 ASP HBy H 1 3.084 0.003 A 487 ASP HBx H 1 2.385 0.015 A 487 ASP C C 13 176.137 0.000 A 487 ASP CA C 13 53.409 0.029 A 487 ASP CB C 13 41.777 0.050 A 487 ASP N N 15 119.376 0.029 A 488 TRP H H 1 8.864 0.004 A 488 TRP HA H 1 4.596 0.001 A 488 TRP HBx H 1 2.748 0.002 A 488 TRP HBy H 1 3.660 0.005 A 488 TRP HD1 H 1 6.533 0.000 A 488 TRP HE1 H 1 10.120 0.000 A 488 TRP HE3 H 1 7.236 0.000 A 488 TRP HH2 H 1 7.421 0.000 A 488 TRP HZ2 H 1 7.190 0.000 A 488 TRP HZ3 H 1 7.702 0.000 A 488 TRP C C 13 175.085 0.000 A 488 TRP CA C 13 56.654 0.000 A 488 TRP CB C 13 28.780 0.070 A 488 TRP CD1 C 13 126.092 0.000 A 488 TRP CE3 C 13 120.199 0.000 A 488 TRP CH2 C 13 123.690 0.000 A 488 TRP CZ2 C 13 115.432 0.000 A 488 TRP CZ3 C 13 120.272 0.000 A 488 TRP N N 15 127.837 0.025 A 488 TRP NE1 N 15 129.327 0.000 A 489 SER H H 1 8.762 0.002 A 489 SER HA H 1 4.747 0.005 A 489 SER HBy H 1 4.017 0.023 A 489 SER HBx H 1 4.004 0.024 A 489 SER C C 13 174.646 0.000 A 489 SER CA C 13 60.164 0.078 A 489 SER CB C 13 64.407 0.034 A 489 SER N N 15 116.299 0.039 A 490 ARG H H 1 7.413 0.000 A 490 ARG HA H 1 4.198 0.002 A 490 ARG HBy H 1 1.564 0.001 A 490 ARG HBx H 1 1.293 0.002 A 490 ARG CA C 13 56.258 0.020 A 490 ARG CB C 13 27.630 0.024 A 490 ARG N N 15 113.775 0.000 A 491 TYR H H 1 5.977 0.001 A 491 TYR HA H 1 4.313 0.000 A 491 TYR HBx H 1 1.661 0.002 A 491 TYR HBy H 1 2.961 0.002 A 491 TYR HD1 H 1 6.532 0.000 A 491 TYR HD2 H 1 6.532 0.000 A 491 TYR HE1 H 1 6.955 0.000 A 491 TYR HE2 H 1 6.955 0.000 A 491 TYR C C 13 173.097 0.000 A 491 TYR CA C 13 54.721 0.063 A 491 TYR CB C 13 41.557 0.016 A 491 TYR CD2 C 13 134.130 0.000 A 491 TYR CE1 C 13 118.091 0.000 A 491 TYR N N 15 120.958 0.025 A 492 VAL H H 1 8.876 0.003 A 492 VAL HA H 1 4.602 0.001 A 492 VAL HB H 1 1.635 0.006 A 492 VAL HGx% H 1 0.830 0.006 A 492 VAL HGy% H 1 0.432 0.012 A 492 VAL C C 13 173.534 0.011 A 492 VAL CA C 13 61.126 0.056 A 492 VAL CB C 13 33.825 0.062 A 492 VAL CG1 C 13 20.381 0.133 A 492 VAL CG2 C 13 22.018 0.111 A 492 VAL N N 15 122.988 0.049 A 493 ASN H H 1 8.751 0.001 A 493 ASN HA H 1 5.777 0.003 A 493 ASN HBy H 1 2.821 0.002 A 493 ASN HBx H 1 2.699 0.010 A 493 ASN HD2x H 1 5.785 0.000 A 493 ASN HD2y H 1 7.533 0.001 A 493 ASN C C 13 173.082 0.000 A 493 ASN CA C 13 51.455 0.047 A 493 ASN CB C 13 42.347 0.055 A 493 ASN CG C 13 176.846 0.000 A 493 ASN N N 15 120.543 0.048 A 493 ASN ND2 N 15 111.912 0.037 A 494 SER H H 1 7.964 0.002 A 494 SER HA H 1 4.818 0.006 A 494 SER HBy H 1 4.200 0.024 A 494 SER HBx H 1 4.127 0.021 A 494 SER C C 13 173.117 0.007 A 494 SER CA C 13 57.096 0.087 A 494 SER CB C 13 67.585 0.055 A 494 SER N N 15 114.680 0.041 A 495 TRP H H 1 8.333 0.002 A 495 TRP HA H 1 4.877 0.012 A 495 TRP HBy H 1 3.615 0.008 A 495 TRP HBx H 1 2.779 0.005 A 495 TRP HD1 H 1 7.238 0.000 A 495 TRP HE1 H 1 10.148 0.000 A 495 TRP HZ2 H 1 7.410 0.000 A 495 TRP C C 13 174.736 0.003 A 495 TRP CA C 13 57.036 0.071 A 495 TRP CB C 13 29.956 0.073 A 495 TRP CD1 C 13 125.144 0.000 A 495 TRP CZ2 C 13 115.020 0.000 A 495 TRP N N 15 113.153 0.039 A 495 TRP NE1 N 15 131.223 0.000 A 496 ASN H H 1 8.990 0.002 A 496 ASN HA H 1 4.342 0.007 A 496 ASN HBx H 1 2.938 0.000 A 496 ASN HBy H 1 3.165 0.000 A 496 ASN HD2x H 1 7.039 0.002 A 496 ASN HD2y H 1 7.328 0.002 A 496 ASN C C 13 173.484 0.013 A 496 ASN CA C 13 55.014 0.034 A 496 ASN CB C 13 37.757 0.042 A 496 ASN CG C 13 177.212 0.007 A 496 ASN N N 15 110.513 0.049 A 496 ASN ND2 N 15 111.463 0.063 A 497 LEU H H 1 9.482 0.001 A 497 LEU HA H 1 4.367 0.002 A 497 LEU HBy H 1 1.700 0.008 A 497 LEU HBx H 1 1.115 0.005 A 497 LEU HDx% H 1 0.871 0.001 A 497 LEU HDy% H 1 0.492 0.007 A 497 LEU HG H 1 1.765 0.003 A 497 LEU C C 13 177.774 0.002 A 497 LEU CA C 13 54.605 0.063 A 497 LEU CB C 13 42.152 0.064 A 497 LEU CD1 C 13 28.670 0.053 A 497 LEU CD2 C 13 23.250 0.006 A 497 LEU CG C 13 26.318 0.044 A 497 LEU N N 15 116.580 0.036 A 498 ASP H H 1 8.072 0.004 A 498 ASP HA H 1 4.560 0.008 A 498 ASP HBy H 1 2.508 0.002 A 498 ASP HBx H 1 2.019 0.002 A 498 ASP C C 13 176.331 0.011 A 498 ASP CA C 13 55.967 0.036 A 498 ASP CB C 13 41.401 0.074 A 498 ASP N N 15 119.371 0.074 A 499 LEU H H 1 7.695 0.003 A 499 LEU HA H 1 4.635 0.007 A 499 LEU HBy H 1 1.246 0.002 A 499 LEU HBx H 1 1.114 0.018 A 499 LEU HDx% H 1 0.329 0.003 A 499 LEU HDy% H 1 0.681 0.001 A 499 LEU HG H 1 1.087 0.000 A 499 LEU C C 13 173.917 0.003 A 499 LEU CA C 13 54.881 0.041 A 499 LEU CB C 13 46.531 0.054 A 499 LEU CD1 C 13 25.769 0.033 A 499 LEU CD2 C 13 22.696 0.033 A 499 LEU CG C 13 27.100 0.000 A 499 LEU N N 15 119.034 0.037 A 500 LEU H H 1 8.691 0.001 A 500 LEU HA H 1 5.063 0.005 A 500 LEU HBy H 1 1.929 0.004 A 500 LEU HBx H 1 1.442 0.003 A 500 LEU HDx% H 1 0.959 0.006 A 500 LEU HDy% H 1 1.049 0.004 A 500 LEU HG H 1 1.381 0.003 A 500 LEU C C 13 174.755 0.007 A 500 LEU CA C 13 54.735 0.048 A 500 LEU CB C 13 43.570 0.045 A 500 LEU CD1 C 13 26.720 0.041 A 500 LEU CD2 C 13 24.926 0.031 A 500 LEU CG C 13 28.451 0.073 A 500 LEU N N 15 128.500 0.084 A 501 GLU H H 1 9.063 0.001 A 501 GLU HA H 1 5.539 0.003 A 501 GLU HBy H 1 1.991 0.016 A 501 GLU HBx H 1 1.837 0.008 A 501 GLU HGx H 1 2.147 0.000 A 501 GLU HGy H 1 2.147 0.000 A 501 GLU C C 13 176.451 0.004 A 501 GLU CA C 13 53.415 0.035 A 501 GLU CB C 13 33.832 0.042 A 501 GLU CG C 13 35.831 0.000 A 501 GLU N N 15 125.115 0.052 A 502 ILE H H 1 9.190 0.002 A 502 ILE HA H 1 5.382 0.000 A 502 ILE HB H 1 2.137 0.006 A 502 ILE HD1% H 1 0.844 0.001 A 502 ILE HG1y H 1 1.792 0.005 A 502 ILE HG1x H 1 1.167 0.004 A 502 ILE HG2% H 1 0.965 0.004 A 502 ILE C C 13 175.960 0.001 A 502 ILE CA C 13 60.651 0.036 A 502 ILE CB C 13 39.484 0.065 A 502 ILE CD1 C 13 13.412 0.033 A 502 ILE CG1 C 13 27.751 0.042 A 502 ILE CG2 C 13 18.012 0.058 A 502 ILE N N 15 121.110 0.038 A 503 ASN H H 1 9.776 0.002 A 503 ASN HA H 1 4.654 0.000 A 503 ASN HBx H 1 3.169 0.000 A 503 ASN HBy H 1 3.169 0.000 A 503 ASN C C 13 175.657 0.006 A 503 ASN CA C 13 54.179 0.055 A 503 ASN CB C 13 36.426 0.051 A 503 ASN N N 15 127.017 0.054 A 504 GLY H H 1 8.872 0.002 A 504 GLY HAy H 1 4.215 0.001 A 504 GLY HAx H 1 3.625 0.000 A 504 GLY C C 13 173.905 0.005 A 504 GLY CA C 13 45.572 0.038 A 504 GLY N N 15 103.138 0.095 A 505 THR H H 1 7.938 0.003 A 505 THR HA H 1 4.381 0.000 A 505 THR HB H 1 4.153 0.002 A 505 THR HG2% H 1 0.803 0.001 A 505 THR C C 13 171.890 0.013 A 505 THR CA C 13 61.985 0.034 A 505 THR CB C 13 69.974 0.055 A 505 THR CG2 C 13 20.575 0.000 A 505 THR N N 15 119.239 0.032 A 506 ASP H H 1 8.369 0.001 A 506 ASP HA H 1 4.335 0.010 A 506 ASP HBy H 1 2.802 0.014 A 506 ASP HBx H 1 2.573 0.006 A 506 ASP C C 13 175.150 0.006 A 506 ASP CA C 13 55.746 0.064 A 506 ASP CB C 13 41.600 0.077 A 506 ASP N N 15 126.179 0.064 A 507 TYR H H 1 9.116 0.001 A 507 TYR HA H 1 4.715 0.000 A 507 TYR HBy H 1 3.279 0.005 A 507 TYR HBx H 1 2.183 0.015 A 507 TYR HD1 H 1 6.915 0.000 A 507 TYR HD2 H 1 6.915 0.000 A 507 TYR HE1 H 1 6.659 0.000 A 507 TYR HE2 H 1 6.659 0.000 A 507 TYR C C 13 175.452 0.003 A 507 TYR CA C 13 57.243 0.042 A 507 TYR CB C 13 39.015 0.019 A 507 TYR CD2 C 13 133.798 0.000 A 507 TYR CE2 C 13 117.951 0.000 A 507 TYR N N 15 128.164 0.075 A 508 THR H H 1 8.564 0.002 A 508 THR HA H 1 3.509 0.006 A 508 THR HB H 1 4.047 0.001 A 508 THR HG2% H 1 0.915 0.001 A 508 THR C C 13 174.755 0.031 A 508 THR CA C 13 66.927 0.054 A 508 THR CB C 13 68.230 0.060 A 508 THR CG2 C 13 21.786 0.064 A 508 THR N N 15 119.665 0.031 A 509 ASN H H 1 7.960 0.002 A 509 ASN HA H 1 4.961 0.001 A 509 ASN HBx H 1 3.162 0.003 A 509 ASN HBy H 1 3.162 0.003 A 509 ASN C C 13 174.829 0.000 A 509 ASN CA C 13 54.449 0.046 A 509 ASN CB C 13 36.567 0.032 A 509 ASN N N 15 124.285 0.050 A 510 VAL H H 1 7.032 0.004 A 510 VAL HA H 1 5.013 0.001 A 510 VAL HB H 1 2.198 0.004 A 510 VAL HGx% H 1 1.005 0.011 A 510 VAL HGy% H 1 0.931 0.002 A 510 VAL C C 13 173.256 0.013 A 510 VAL CA C 13 59.784 0.028 A 510 VAL CB C 13 36.068 0.069 A 510 VAL CG1 C 13 21.068 0.028 A 510 VAL CG2 C 13 18.969 0.022 A 510 VAL N N 15 110.419 0.067 A 511 TRP H H 1 8.371 0.002 A 511 TRP HA H 1 5.113 0.010 A 511 TRP HBx H 1 2.852 0.003 A 511 TRP HBy H 1 3.339 0.003 A 511 TRP HD1 H 1 7.016 0.009 A 511 TRP HE1 H 1 10.148 0.015 A 511 TRP HE3 H 1 7.458 0.000 A 511 TRP HH2 H 1 6.982 0.000 A 511 TRP HZ2 H 1 6.860 0.000 A 511 TRP HZ3 H 1 7.208 0.000 A 511 TRP C C 13 176.942 0.020 A 511 TRP CA C 13 58.118 0.058 A 511 TRP CB C 13 31.732 0.046 A 511 TRP CD1 C 13 126.630 0.000 A 511 TRP CE3 C 13 121.543 0.000 A 511 TRP CH2 C 13 124.363 0.000 A 511 TRP CZ2 C 13 114.984 0.000 A 511 TRP CZ3 C 13 121.472 0.000 A 511 TRP N N 15 126.216 0.059 A 511 TRP NE1 N 15 131.215 0.032 A 512 VAL H H 1 8.909 0.003 A 512 VAL HA H 1 4.550 0.003 A 512 VAL HB H 1 1.853 0.011 A 512 VAL HGx% H 1 0.802 0.000 A 512 VAL HGy% H 1 0.550 0.002 A 512 VAL C C 13 172.514 0.003 A 512 VAL CA C 13 60.190 0.049 A 512 VAL CB C 13 34.999 0.053 A 512 VAL CG1 C 13 20.712 0.000 A 512 VAL CG2 C 13 19.069 0.005 A 512 VAL N N 15 128.202 0.072 A 513 ALA H H 1 8.367 0.001 A 513 ALA HA H 1 3.517 0.004 A 513 ALA HB% H 1 0.778 0.002 A 513 ALA C C 13 177.856 0.004 A 513 ALA CA C 13 52.009 0.038 A 513 ALA CB C 13 17.761 0.014 A 513 ALA N N 15 130.048 0.080 A 514 GLN H H 1 7.958 0.002 A 514 GLN HA H 1 3.129 0.015 A 514 GLN HBy H 1 1.553 0.003 A 514 GLN HBx H 1 1.269 0.016 A 514 GLN HE2y H 1 7.780 0.000 A 514 GLN HE2x H 1 5.022 0.000 A 514 GLN HGy H 1 1.007 0.011 A 514 GLN HGx H 1 0.588 0.007 A 514 GLN C C 13 178.100 0.018 A 514 GLN CA C 13 59.446 0.040 A 514 GLN CB C 13 27.789 0.056 A 514 GLN CG C 13 34.419 0.109 A 514 GLN N N 15 121.839 0.064 A 514 GLN NE2 N 15 111.085 0.007 A 515 HIS H H 1 7.930 0.003 A 515 HIS HA H 1 4.383 0.007 A 515 HIS HBy H 1 2.760 0.003 A 515 HIS HBx H 1 2.460 0.004 A 515 HIS HD2 H 1 6.656 0.000 A 515 HIS HE1 H 1 8.412 0.000 A 515 HIS C C 13 175.661 0.005 A 515 HIS CA C 13 57.869 0.031 A 515 HIS CB C 13 27.468 0.046 A 515 HIS CD2 C 13 120.954 0.000 A 515 HIS CE1 C 13 136.238 0.000 A 515 HIS N N 15 110.955 0.050 A 516 GLN H H 1 7.154 0.003 A 516 GLN HA H 1 4.281 0.003 A 516 GLN HBy H 1 2.196 0.005 A 516 GLN HBx H 1 2.048 0.011 A 516 GLN HE2y H 1 7.742 0.003 A 516 GLN HE2x H 1 7.165 0.004 A 516 GLN HGx H 1 1.757 0.003 A 516 GLN HGy H 1 1.757 0.003 A 516 GLN C C 13 175.195 0.009 A 516 GLN CA C 13 56.209 0.089 A 516 GLN CB C 13 29.619 0.085 A 516 GLN CD C 13 180.199 0.001 A 516 GLN CG C 13 35.557 0.055 A 516 GLN N N 15 119.054 0.043 A 516 GLN NE2 N 15 112.043 0.040 A 517 ILE H H 1 7.871 0.003 A 517 ILE HA H 1 4.624 0.010 A 517 ILE HB H 1 2.167 0.014 A 517 ILE HD1% H 1 0.263 0.002 A 517 ILE HG1y H 1 1.352 0.003 A 517 ILE HG1x H 1 0.681 0.002 A 517 ILE HG2% H 1 1.049 0.002 A 517 ILE C C 13 173.975 0.000 A 517 ILE CA C 13 58.710 0.074 A 517 ILE CB C 13 39.140 0.087 A 517 ILE CD1 C 13 14.587 0.113 A 517 ILE CG1 C 13 25.404 0.054 A 517 ILE CG2 C 13 17.332 0.042 A 517 ILE N N 15 122.356 0.072 A 518 PRO HA H 1 2.915 0.002 A 518 PRO HBy H 1 1.989 0.003 A 518 PRO HBx H 1 1.622 0.001 A 518 PRO HDy H 1 4.087 0.002 A 518 PRO HDx H 1 3.817 0.000 A 518 PRO HGy H 1 1.880 0.008 A 518 PRO HGx H 1 1.740 0.004 A 518 PRO C C 13 176.922 0.000 A 518 PRO CA C 13 63.088 0.045 A 518 PRO CB C 13 32.073 0.098 A 518 PRO CD C 13 51.073 0.003 A 518 PRO CG C 13 26.681 0.049 A 519 ALA H H 1 8.288 0.002 A 519 ALA HA H 1 1.903 0.021 A 519 ALA HB% H 1 0.209 0.001 A 519 ALA C C 13 177.904 0.005 A 519 ALA CA C 13 51.855 0.039 A 519 ALA CB C 13 18.262 0.024 A 519 ALA N N 15 123.742 0.054 A 520 ALA H H 1 8.000 0.002 A 520 ALA HA H 1 4.339 0.002 A 520 ALA HB% H 1 1.597 0.001 A 520 ALA C C 13 179.601 0.036 A 520 ALA CA C 13 51.816 0.014 A 520 ALA CB C 13 18.489 0.034 A 520 ALA N N 15 121.248 0.041 A 521 SER H H 1 8.765 0.002 A 521 SER HA H 1 4.004 0.001 A 521 SER HBx H 1 3.885 0.003 A 521 SER HBy H 1 3.885 0.003 A 521 SER C C 13 174.166 0.009 A 521 SER CA C 13 61.453 0.052 A 521 SER CB C 13 62.790 0.050 A 521 SER N N 15 116.209 0.096 A 522 ASP H H 1 7.670 0.003 A 522 ASP HA H 1 4.506 0.001 A 522 ASP HBy H 1 3.087 0.004 A 522 ASP HBx H 1 2.511 0.004 A 522 ASP C C 13 176.890 0.004 A 522 ASP CA C 13 52.724 0.054 A 522 ASP CB C 13 40.263 0.045 A 522 ASP N N 15 117.806 0.025 A 523 GLY H H 1 8.017 0.003 A 523 GLY HAy H 1 4.027 0.002 A 523 GLY HAx H 1 3.153 0.001 A 523 GLY C C 13 172.180 0.004 A 523 GLY CA C 13 44.982 0.032 A 523 GLY N N 15 107.268 0.075 A 524 TYR H H 1 7.462 0.004 A 524 TYR HA H 1 4.318 0.004 A 524 TYR HBy H 1 2.950 0.000 A 524 TYR HBx H 1 1.654 0.001 A 524 TYR HD1 H 1 5.993 0.000 A 524 TYR HD2 H 1 5.993 0.000 A 524 TYR HE1 H 1 5.583 0.000 A 524 TYR HE2 H 1 5.583 0.000 A 524 TYR C C 13 174.360 0.089 A 524 TYR CA C 13 57.874 0.041 A 524 TYR CB C 13 41.805 0.022 A 524 TYR CD1 C 13 130.963 0.000 A 524 TYR CE2 C 13 129.127 0.000 A 524 TYR N N 15 115.861 0.027 A 525 TRP H H 1 8.817 0.002 A 525 TRP HA H 1 4.536 0.005 A 525 TRP HBx H 1 1.811 0.002 A 525 TRP HBy H 1 2.332 0.002 A 525 TRP HD1 H 1 6.084 0.013 A 525 TRP HE1 H 1 9.885 0.000 A 525 TRP HE3 H 1 7.822 0.000 A 525 TRP HH2 H 1 6.741 0.000 A 525 TRP HZ2 H 1 7.607 0.000 A 525 TRP HZ3 H 1 6.877 0.000 A 525 TRP C C 13 174.191 0.025 A 525 TRP CA C 13 59.600 0.079 A 525 TRP CB C 13 30.749 0.068 A 525 TRP CD1 C 13 126.026 0.000 A 525 TRP CE3 C 13 120.909 0.000 A 525 TRP CH2 C 13 124.382 0.000 A 525 TRP CZ2 C 13 116.884 0.000 A 525 TRP CZ3 C 13 125.954 0.000 A 525 TRP N N 15 118.934 0.030 A 525 TRP NE1 N 15 130.128 0.008 A 526 TYR H H 1 8.638 0.002 A 526 TYR HA H 1 4.464 0.003 A 526 TYR HBy H 1 2.898 0.012 A 526 TYR HBx H 1 2.556 0.013 A 526 TYR HD1 H 1 6.553 0.000 A 526 TYR HD2 H 1 6.553 0.000 A 526 TYR HE1 H 1 6.558 0.000 A 526 TYR HE2 H 1 6.558 0.000 A 526 TYR C C 13 175.751 0.012 A 526 TYR CA C 13 58.442 0.035 A 526 TYR CB C 13 38.158 0.045 A 526 TYR CD2 C 13 130.260 0.000 A 526 TYR CE2 C 13 117.978 0.000 A 526 TYR N N 15 122.166 0.061 A 527 ILE H H 1 10.254 0.003 A 527 ILE HA H 1 5.141 0.004 A 527 ILE HB H 1 2.211 0.003 A 527 ILE HD1% H 1 0.864 0.002 A 527 ILE HG1y H 1 1.656 0.004 A 527 ILE HG1x H 1 1.057 0.002 A 527 ILE HG2% H 1 1.150 0.001 A 527 ILE C C 13 173.326 0.023 A 527 ILE CA C 13 61.305 0.040 A 527 ILE CB C 13 41.441 0.070 A 527 ILE CD1 C 13 15.580 0.010 A 527 ILE CG1 C 13 28.898 0.043 A 527 ILE CG2 C 13 19.732 0.028 A 527 ILE N N 15 127.251 0.079 A 528 HIS H H 1 9.544 0.002 A 528 HIS HA H 1 5.410 0.001 A 528 HIS HBy H 1 3.288 0.004 A 528 HIS HBx H 1 3.120 0.003 A 528 HIS C C 13 171.299 0.019 A 528 HIS CA C 13 51.567 0.052 A 528 HIS CB C 13 31.251 0.021 A 528 HIS N N 15 127.292 0.068 A 529 TYR H H 1 8.530 0.003 A 529 TYR HA H 1 4.780 0.017 A 529 TYR HBy H 1 2.479 0.002 A 529 TYR HBx H 1 2.156 0.002 A 529 TYR HD1 H 1 6.551 0.000 A 529 TYR HD2 H 1 6.551 0.000 A 529 TYR HE1 H 1 6.406 0.000 A 529 TYR HE2 H 1 6.406 0.000 A 529 TYR C C 13 174.332 0.030 A 529 TYR CA C 13 55.944 0.030 A 529 TYR CB C 13 44.439 0.027 A 529 TYR CD2 C 13 132.468 0.000 A 529 TYR CE2 C 13 117.974 0.000 A 529 TYR N N 15 130.788 0.093 A 530 LYS H H 1 8.679 0.001 A 530 LYS HA H 1 4.978 0.003 A 530 LYS HBy H 1 1.646 0.002 A 530 LYS HBx H 1 1.146 0.002 A 530 LYS HDy H 1 1.462 0.006 A 530 LYS HDx H 1 1.341 0.005 A 530 LYS HEy H 1 2.771 0.004 A 530 LYS HEx H 1 2.716 0.013 A 530 LYS HGy H 1 1.068 0.025 A 530 LYS HGx H 1 1.010 0.023 A 530 LYS C C 13 174.578 0.002 A 530 LYS CA C 13 56.430 0.059 A 530 LYS CB C 13 36.859 0.085 A 530 LYS CD C 13 29.556 0.032 A 530 LYS CE C 13 41.844 0.049 A 530 LYS CG C 13 25.613 0.056 A 530 LYS N N 15 126.369 0.063 A 531 SER H H 1 8.913 0.001 A 531 SER HA H 1 4.472 0.002 A 531 SER HBx H 1 3.512 0.016 A 531 SER HBy H 1 3.539 0.011 A 531 SER C C 13 175.441 0.006 A 531 SER CA C 13 56.422 0.000 A 531 SER CB C 13 65.935 0.029 A 531 SER N N 15 119.334 0.040 A 532 GLY H H 1 9.529 0.001 A 532 GLY HAy H 1 4.369 0.002 A 532 GLY HAx H 1 3.832 0.007 A 532 GLY C C 13 173.872 0.002 A 532 GLY CA C 13 44.967 0.035 A 532 GLY N N 15 118.691 0.029 A 533 VAL H H 1 7.638 0.004 A 533 VAL HA H 1 4.509 0.003 A 533 VAL HB H 1 0.430 0.003 A 533 VAL HGx% H 1 0.595 0.003 A 533 VAL HGy% H 1 0.314 0.002 A 533 VAL C C 13 177.104 0.000 A 533 VAL CA C 13 58.570 0.077 A 533 VAL CB C 13 35.747 0.012 A 533 VAL CG1 C 13 22.160 0.064 A 533 VAL CG2 C 13 17.168 0.020 A 533 VAL N N 15 110.634 0.048 A 534 SER H H 1 8.572 0.000 A 534 SER HA H 1 4.088 0.001 A 534 SER HBx H 1 3.883 0.018 A 534 SER HBy H 1 3.883 0.018 A 534 SER C C 13 173.591 0.000 A 534 SER CA C 13 60.813 0.036 A 534 SER CB C 13 62.735 0.051 A 534 SER N N 15 118.159 0.025 A 535 TRP H H 1 6.443 0.005 A 535 TRP HA H 1 4.962 0.001 A 535 TRP HBy H 1 3.461 0.017 A 535 TRP HBx H 1 3.344 0.005 A 535 TRP HD1 H 1 7.044 0.002 A 535 TRP HE1 H 1 10.129 0.004 A 535 TRP HE3 H 1 7.630 0.000 A 535 TRP HH2 H 1 7.391 0.000 A 535 TRP HZ2 H 1 7.658 0.000 A 535 TRP HZ3 H 1 7.193 0.000 A 535 TRP C C 13 176.228 0.003 A 535 TRP CA C 13 55.963 0.038 A 535 TRP CB C 13 26.812 0.042 A 535 TRP CD1 C 13 128.475 0.000 A 535 TRP CE3 C 13 120.737 0.000 A 535 TRP CH2 C 13 124.485 0.000 A 535 TRP CZ2 C 13 115.169 0.000 A 535 TRP CZ3 C 13 122.312 0.000 A 535 TRP N N 15 114.568 0.044 A 535 TRP NE1 N 15 129.337 0.003 A 536 GLY H H 1 7.081 0.004 A 536 GLY HAy H 1 4.176 0.008 A 536 GLY HAx H 1 3.656 0.007 A 536 GLY C C 13 172.901 0.023 A 536 GLY CA C 13 46.764 0.030 A 536 GLY N N 15 110.175 0.052 A 537 HIS H H 1 8.272 0.002 A 537 HIS HA H 1 5.691 0.006 A 537 HIS HBy H 1 2.746 0.008 A 537 HIS HBx H 1 1.119 0.010 A 537 HIS C C 13 173.129 0.017 A 537 HIS CA C 13 55.203 0.041 A 537 HIS CB C 13 32.250 0.051 A 537 HIS N N 15 122.767 0.038 A 538 VAL H H 1 8.312 0.002 A 538 VAL HA H 1 4.734 0.005 A 538 VAL HB H 1 2.254 0.004 A 538 VAL HGx% H 1 1.077 0.003 A 538 VAL HGy% H 1 1.043 0.006 A 538 VAL C C 13 170.559 0.004 A 538 VAL CA C 13 59.023 0.035 A 538 VAL CB C 13 35.661 0.052 A 538 VAL CG1 C 13 22.671 0.037 A 538 VAL CG2 C 13 21.081 0.007 A 538 VAL N N 15 122.436 0.068 A 539 GLU H H 1 8.646 0.002 A 539 GLU HA H 1 4.861 0.002 A 539 GLU HBx H 1 1.850 0.018 A 539 GLU HBy H 1 1.996 0.000 A 539 GLU HGx H 1 2.218 0.006 A 539 GLU HGy H 1 2.218 0.006 A 539 GLU C C 13 172.832 0.002 A 539 GLU CA C 13 54.534 0.036 A 539 GLU CB C 13 33.797 0.069 A 539 GLU CG C 13 36.497 0.069 A 539 GLU N N 15 121.026 0.035 A 540 ILE H H 1 8.868 0.001 A 540 ILE HA H 1 4.251 0.001 A 540 ILE HB H 1 1.685 0.002 A 540 ILE HD1% H 1 0.695 0.002 A 540 ILE HG1x H 1 0.944 0.003 A 540 ILE HG1y H 1 1.456 0.003 A 540 ILE HG2% H 1 0.437 0.001 A 540 ILE C C 13 174.732 0.008 A 540 ILE CA C 13 60.982 0.038 A 540 ILE CB C 13 40.141 0.061 A 540 ILE CD1 C 13 13.698 0.045 A 540 ILE CG1 C 13 27.138 0.027 A 540 ILE CG2 C 13 20.029 0.039 A 540 ILE N N 15 121.955 0.036 A 541 LYS H H 1 7.126 0.003 A 541 LYS HA H 1 3.943 0.002 A 541 LYS HBy H 1 1.866 0.006 A 541 LYS HBx H 1 1.076 0.001 A 541 LYS HDy H 1 1.445 0.008 A 541 LYS HDx H 1 1.430 0.015 A 541 LYS HEy H 1 2.944 0.002 A 541 LYS HEx H 1 2.835 0.000 A 541 LYS HGx H 1 0.602 0.001 A 541 LYS HGy H 1 0.921 0.002 A 541 LYS C C 13 179.989 0.000 A 541 LYS CA C 13 56.085 0.058 A 541 LYS CB C 13 33.614 0.049 A 541 LYS CD C 13 27.339 0.025 A 541 LYS CE C 13 42.114 0.028 A 541 LYS CG C 13 23.796 0.085 A 541 LYS N N 15 128.344 0.070 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 458 GLU H A 459 TYR H 1.0 . 4.14 2 2 A 458 GLU H A 457 GLY HAx 1.0 . 3.15 3 2 A 458 GLU H A 457 GLY HAy 1.0 . 3.15 4 3 A 459 TYR H A 459 TYR HD% 1.0 . 3.26 5 4 A 459 TYR H A 458 GLU HA 1.0 . 2.76 6 5 A 459 TYR H A 459 TYR HBx 1.0 . 3.11 7 6 A 459 TYR H A 459 TYR HBy 1.0 . 3.65 8 7 A 459 TYR H A 458 GLU HGy 1.0 . 5.50 9 8 A 459 TYR H A 458 GLU HGx 1.0 . 5.50 10 9 A 459 TYR H A 458 GLU HBx 1.0 . 5.17 11 10 A 459 TYR HD% A 460 THR H 1.0 . 4.40 12 11 A 460 THR H A 476 TRP HD1 1.0 . 4.11 13 12 A 460 THR H A 476 TRP HA 1.0 . 3.21 14 13 A 460 THR H A 459 TYR HA 1.0 . 2.66 15 14 A 459 TYR HBx A 460 THR H 1.0 . 4.08 16 15 A 459 TYR HBy A 460 THR H 1.0 . 3.72 17 16 A 460 THR H A 460 THR HG2% 1.0 . 4.00 18 17 A 460 THR H A 477 LYS HGy 1.0 . 4.42 19 18 A 461 GLU H A 462 ILE H 1.0 . 4.85 20 19 A 461 GLU H A 460 THR HA 1.0 . 2.66 21 20 A 461 GLU H A 461 GLU HGx 1.0 . 3.99 22 20 A 461 GLU H A 461 GLU HGy 1.0 . 3.99 23 21 A 461 GLU H A 461 GLU HBx 1.0 . 3.05 24 22 A 461 GLU H A 461 GLU HBy 1.0 . 2.97 25 23 A 460 THR HG2% A 461 GLU H 1.0 . 3.30 26 24 A 461 GLU H A 477 LYS HGx 1.0 . 4.33 27 25 A 461 GLU H A 462 ILE HG2% 1.0 . 4.81 28 26 A 462 ILE H A 478 THR HA 1.0 . 4.17 29 27 A 462 ILE H A 461 GLU HA 1.0 . 2.68 30 28 A 462 ILE H A 478 THR HB 1.0 . 3.77 31 29 A 462 ILE H A 461 GLU HGx 1.0 . 3.27 32 29 A 462 ILE H A 461 GLU HGy 1.0 . 3.27 33 30 A 462 ILE H A 461 GLU HBx 1.0 . 4.40 34 31 A 462 ILE H A 461 GLU HBy 1.0 . 4.27 35 32 A 462 ILE H A 476 TRP HBx 1.0 . 4.61 36 33 A 462 ILE H A 462 ILE HD1% 1.0 . 3.95 37 34 A 462 ILE H A 462 ILE HG2% 1.0 . 3.44 38 35 A 462 ILE H A 462 ILE HG1y 1.0 . 3.00 39 36 A 462 ILE H A 462 ILE HG1x 1.0 . 3.14 40 37 A 462 ILE H A 462 ILE HB 1.0 . 4.07 41 38 A 462 ILE H A 463 ALA HB% 1.0 . 5.50 42 39 A 462 ILE H A 477 LYS HBy 1.0 . 5.50 43 40 A 463 ALA H A 466 PHE HD% 1.0 . 4.34 44 41 A 463 ALA H A 462 ILE HA 1.0 . 2.75 45 42 A 462 ILE HD1% A 463 ALA H 1.0 . 4.41 46 43 A 462 ILE HG2% A 463 ALA H 1.0 . 3.63 47 44 A 462 ILE HG1x A 463 ALA H 1.0 . 4.03 48 45 A 463 ALA HB% A 463 ALA H 1.0 . 2.80 49 46 A 462 ILE HB A 463 ALA H 1.0 . 2.90 50 47 A 463 ALA HA A 464 LEU H 1.0 . 2.59 51 48 A 464 LEU H A 464 LEU HDx% 1.0 . 3.99 52 49 A 464 LEU H A 464 LEU HDy% 1.0 . 3.99 53 50 A 464 LEU H A 464 LEU HBy 1.0 . 3.89 54 51 A 463 ALA HB% A 464 LEU H 1.0 . 2.97 55 52 A 464 LEU HBy A 466 PHE H 1.0 . 4.07 56 53 A 466 PHE H A 540 ILE HB 1.0 . 3.68 57 54 A 466 PHE H A 466 PHE HBx 1.0 . 3.15 58 55 A 466 PHE H A 465 PRO HBx 1.0 . 3.71 59 56 A 466 PHE H A 466 PHE HBy 1.0 . 3.47 60 57 A 466 PHE H A 541 LYS HA 1.0 . 4.08 61 58 A 466 PHE H A 464 LEU HA 1.0 . 3.41 62 59 A 466 PHE H A 465 PRO HA 1.0 . 2.75 63 60 A 466 PHE H A 540 ILE H 1.0 . 3.69 64 61 A 466 PHE HD% A 467 SER H 1.0 . 3.59 65 62 A 467 SER H A 466 PHE HA 1.0 . 2.65 66 63 A 466 PHE HBx A 467 SER H 1.0 . 4.00 67 64 A 468 TYR H A 538 VAL H 1.0 . 3.40 68 65 A 468 TYR H A 468 TYR HD% 1.0 . 3.88 69 66 A 468 TYR H A 537 HIS HA 1.0 . 4.60 70 67 A 471 ALA H A 534 SER HA 1.0 . 2.78 71 68 A 471 ALA H A 534 SER HBx 1.0 . 4.36 72 68 A 471 ALA H A 534 SER HBy 1.0 . 4.36 73 69 A 471 ALA H A 536 GLY HAx 1.0 . 5.50 74 70 A 471 ALA H A 471 ALA HB% 1.0 . 2.80 75 71 A 471 ALA H A 535 TRP H 1.0 . 5.50 76 72 A 513 ALA HA A 514 GLN H 1.0 . 3.00 77 73 A 514 GLN H A 514 GLN HBy 1.0 . 3.61 78 74 A 514 GLN H A 514 GLN HBx 1.0 . 3.61 79 75 A 514 GLN H A 514 GLN HGy 1.0 . 4.24 80 76 A 514 GLN H A 513 ALA HB% 1.0 . 3.53 81 77 A 514 GLN H A 514 GLN HGx 1.0 . 4.24 82 78 A 514 GLN H A 540 ILE HG2% 1.0 . 5.50 83 79 A 514 GLN H A 516 GLN H 1.0 . 4.60 84 80 A 524 TYR H A 524 TYR HBx 1.0 . 3.12 85 81 A 524 TYR H A 520 ALA HB% 1.0 . 3.27 86 82 A 524 TYR H A 519 ALA HB% 1.0 . 4.33 87 83 A 538 VAL H A 467 SER HA 1.0 . 4.68 88 84 A 538 VAL H A 538 VAL HB 1.0 . 3.73 89 85 A 538 VAL H A 468 TYR HBx 1.0 . 4.55 90 86 A 538 VAL H A 538 VAL HGx% 1.0 . 2.90 91 87 A 538 VAL H A 468 TYR HE% 1.0 . 4.89 92 88 A 538 VAL H A 468 TYR HD% 1.0 . 3.78 93 89 A 538 VAL H A 537 HIS HA 1.0 . 2.79 94 90 A 513 ALA HA A 492 VAL H 1.0 . 4.10 95 91 A 492 VAL H A 492 VAL HB 1.0 . 3.57 96 92 A 492 VAL H A 492 VAL HGx% 1.0 . 4.09 97 93 A 492 VAL H A 492 VAL HGy% 1.0 . 4.09 98 94 A 492 VAL H A 517 ILE HD1% 1.0 . 5.50 99 95 A 492 VAL H A 513 ALA H 1.0 . 5.15 100 96 A 514 GLN H A 492 VAL H 1.0 . 4.82 101 97 A 492 VAL H A 491 TYR HD% 1.0 . 3.97 102 98 A 492 VAL H A 511 TRP HA 1.0 . 5.00 103 99 A 460 THR HA A 477 LYS H 1.0 . 4.64 104 100 A 476 TRP HBx A 477 LYS H 1.0 . 3.36 105 101 A 459 TYR HBy A 477 LYS H 1.0 . 3.88 106 102 A 461 GLU HBy A 477 LYS H 1.0 . 5.50 107 103 A 477 LYS HBy A 477 LYS H 1.0 . 4.01 108 104 A 477 LYS H A 477 LYS HBx 1.0 . 3.84 109 105 A 477 LYS HGy A 477 LYS H 1.0 . 3.06 110 106 A 462 ILE HG1y A 477 LYS H 1.0 . 4.03 111 107 A 462 ILE HG2% A 477 LYS H 1.0 . 3.80 112 108 A 462 ILE HD1% A 477 LYS H 1.0 . 5.50 113 109 A 477 LYS H A 478 THR H 1.0 . 4.52 114 110 A 462 ILE H A 477 LYS H 1.0 . 4.37 115 111 A 459 TYR HD% A 477 LYS H 1.0 . 4.67 116 112 A 476 TRP HD1 A 477 LYS H 1.0 . 4.22 117 113 A 476 TRP HA A 477 LYS H 1.0 . 2.91 118 114 A 481 PHE HA A 482 SER H 1.0 . 2.64 119 115 A 482 SER H A 481 PHE HBy 1.0 . 4.80 120 116 A 482 SER H A 514 GLN HBx 1.0 . 4.20 121 117 A 482 SER H A 481 PHE HBx 1.0 . 4.80 122 118 A 514 GLN H A 482 SER H 1.0 . 5.50 123 119 A 482 SER H A 515 HIS H 1.0 . 5.50 124 120 A 482 SER H A 481 PHE HD% 1.0 . 4.17 125 121 A 482 SER H A 481 PHE H 1.0 . 5.20 126 122 A 478 THR HB A 480 GLN HE2y 1.0 . 4.19 127 123 A 480 GLN HE2y A 480 GLN HGx 1.0 . 3.94 128 124 A 480 GLN HE2y A 480 GLN HBy 1.0 . 5.10 129 125 A 463 ALA HB% A 480 GLN HE2y 1.0 . 4.56 130 126 A 463 ALA H A 480 GLN HE2y 1.0 . 5.31 131 127 A 464 LEU H A 480 GLN HE2y 1.0 . 5.50 132 128 A 524 TYR HA A 525 TRP H 1.0 . 3.16 133 129 A 524 TYR HBx A 525 TRP H 1.0 . 4.21 134 130 A 525 TRP H A 525 TRP HBx 1.0 . 3.37 135 131 A 525 TRP H A 525 TRP HBy 1.0 . 3.85 136 132 A 525 TRP H A 524 TYR HBy 1.0 . 3.30 137 133 A 525 TRP H A 478 THR HG2% 1.0 . 3.85 138 134 A 519 ALA HB% A 525 TRP H 1.0 . 5.49 139 135 A 478 THR H A 525 TRP H 1.0 . 3.50 140 136 A 525 TRP H A 525 TRP HE3 1.0 . 3.27 141 137 A 524 TYR H A 525 TRP H 1.0 . 4.78 142 138 A 525 TRP H A 525 TRP HD1 1.0 . 5.50 143 139 A 525 TRP H A 477 LYS HA 1.0 . 5.01 144 140 A 525 TRP H A 479 ASP HA 1.0 . 3.99 145 141 A 478 THR HA A 525 TRP H 1.0 . 5.11 146 142 A 540 ILE H A 467 SER HA 1.0 . 3.63 147 143 A 541 LYS HA A 540 ILE H 1.0 . 5.18 148 144 A 466 PHE HBx A 540 ILE H 1.0 . 3.83 149 145 A 540 ILE H A 540 ILE HG1x 1.0 . 4.38 150 146 A 540 ILE H A 540 ILE HD1% 1.0 . 4.24 151 147 A 540 ILE H A 468 TYR H 1.0 . 5.50 152 148 A 540 ILE H A 467 SER H 1.0 . 5.06 153 149 A 499 LEU HA A 500 LEU H 1.0 . 2.80 154 150 A 500 LEU H A 506 ASP HA 1.0 . 4.47 155 151 A 500 LEU H A 508 THR HB 1.0 . 4.41 156 152 A 500 LEU H A 508 THR HA 1.0 . 4.03 157 153 A 500 LEU H A 500 LEU HBx 1.0 . 3.63 158 154 A 500 LEU H A 500 LEU HBy 1.0 . 3.80 159 155 A 500 LEU H A 499 LEU HG 1.0 . 3.41 160 156 A 500 LEU H A 508 THR HG2% 1.0 . 3.56 161 157 A 500 LEU H A 499 LEU HDy% 1.0 . 4.60 162 158 A 500 LEU H A 499 LEU H 1.0 . 4.26 163 159 A 505 THR H A 505 THR HB 1.0 . 3.22 164 160 A 505 THR H A 503 ASN HBx 1.0 . 4.30 165 160 A 505 THR H A 503 ASN HBy 1.0 . 4.30 166 161 A 505 THR H A 501 GLU HGx 1.0 . 4.25 167 161 A 505 THR H A 501 GLU HGy 1.0 . 4.25 168 162 A 505 THR H A 501 GLU HBy 1.0 . 5.01 169 163 A 505 THR H A 501 GLU HBx 1.0 . 4.22 170 164 A 505 THR H A 505 THR HG2% 1.0 . 4.11 171 165 A 505 THR H A 501 GLU HA 1.0 . 4.25 172 166 A 505 THR H A 502 ILE HA 1.0 . 4.79 173 167 A 505 THR H A 502 ILE H 1.0 . 3.41 174 168 A 466 PHE H A 465 PRO HGx 1.0 . 4.82 175 169 A 466 PHE H A 540 ILE HD1% 1.0 . 4.79 176 170 A 462 ILE HD1% A 466 PHE H 1.0 . 5.04 177 171 A 466 PHE H A 541 LYS H 1.0 . 5.50 178 172 A 466 PHE HD% A 466 PHE H 1.0 . 4.36 179 173 A 536 GLY HAy A 537 HIS H 1.0 . 2.92 180 174 A 536 GLY HAx A 537 HIS H 1.0 . 3.32 181 175 A 537 HIS H A 496 ASN HBx 1.0 . 4.09 182 176 A 537 HIS H A 496 ASN HBy 1.0 . 4.34 183 177 A 537 HIS H A 537 HIS HBy 1.0 . 3.96 184 178 A 537 HIS H A 497 LEU HG 1.0 . 4.97 185 179 A 537 HIS H A 537 HIS HBx 1.0 . 3.96 186 180 A 537 HIS H A 497 LEU HDy% 1.0 . 3.86 187 181 A 537 HIS H A 533 VAL HGy% 1.0 . 4.89 188 182 A 537 HIS H A 536 GLY H 1.0 . 4.72 189 183 A 525 TRP HA A 526 TYR H 1.0 . 2.75 190 184 A 526 TYR H A 526 TYR HBy 1.0 . 3.20 191 185 A 526 TYR H A 526 TYR HBx 1.0 . 3.76 192 186 A 525 TRP HBy A 526 TYR H 1.0 . 3.90 193 187 A 520 ALA HB% A 526 TYR H 1.0 . 5.04 194 188 A 526 TYR H A 527 ILE HG1x 1.0 . 5.45 195 189 A 526 TYR H A 520 ALA H 1.0 . 5.50 196 190 A 526 TYR H A 526 TYR HD% 1.0 . 4.72 197 191 A 502 ILE HA A 526 TYR H 1.0 . 4.91 198 192 A 526 TYR H A 527 ILE H 1.0 . 4.79 199 193 A 533 VAL HGx% A 534 SER H 1.0 . 4.65 200 194 A 534 SER H A 533 VAL HB 1.0 . 4.43 201 195 A 520 ALA HA A 522 ASP H 1.0 . 4.83 202 196 A 522 ASP H A 522 ASP HBy 1.0 . 3.80 203 197 A 522 ASP H A 522 ASP HBx 1.0 . 3.80 204 198 A 520 ALA HB% A 522 ASP H 1.0 . 3.21 205 199 A 522 ASP H A 521 SER H 1.0 . 4.51 206 200 A 505 THR HA A 506 ASP H 1.0 . 2.54 207 201 A 505 THR HB A 506 ASP H 1.0 . 4.25 208 202 A 511 TRP H A 511 TRP HBy 1.0 . 3.80 209 203 A 506 ASP H A 506 ASP HBx 1.0 . 3.67 210 204 A 505 THR HG2% A 506 ASP H 1.0 . 3.26 211 205 A 505 THR H A 506 ASP H 1.0 . 4.31 212 206 A 511 TRP H A 511 TRP HD1 1.0 . 4.29 213 207 A 501 GLU HA A 506 ASP H 1.0 . 4.61 214 208 A 511 TRP H A 510 VAL HA 1.0 . 2.72 215 209 A 514 GLN HA A 517 ILE H 1.0 . 4.82 216 210 A 517 ILE H A 517 ILE HB 1.0 . 3.04 217 211 A 517 ILE H A 516 GLN HGx 1.0 . 4.69 218 211 A 517 ILE H A 516 GLN HGy 1.0 . 4.69 219 212 A 517 ILE H A 517 ILE HG1x 1.0 . 3.20 220 213 A 517 ILE H A 517 ILE HG2% 1.0 . 4.19 221 214 A 517 ILE H A 517 ILE HG1y 1.0 . 3.98 222 215 A 517 ILE HD1% A 517 ILE H 1.0 . 4.22 223 216 A 516 GLN H A 517 ILE H 1.0 . 3.01 224 217 A 517 ILE H A 481 PHE HE% 1.0 . 5.49 225 218 A 481 PHE HD% A 517 ILE H 1.0 . 4.77 226 219 A 460 THR HB A 476 TRP HE1 1.0 . 4.14 227 220 A 460 THR HG2% A 476 TRP HE1 1.0 . 4.33 228 221 A 462 ILE HG2% A 476 TRP HE1 1.0 . 4.14 229 222 A 460 THR H A 476 TRP HE1 1.0 . 4.49 230 223 A 476 TRP HA A 476 TRP HE1 1.0 . 4.84 231 224 A 476 TRP HE1 A 466 PHE HE% 1.0 . 5.50 232 225 A 519 ALA HB% A 519 ALA H 1.0 . 2.80 233 226 A 520 ALA H A 519 ALA H 1.0 . 4.80 234 227 A 519 ALA H A 525 TRP HZ2 1.0 . 3.86 235 228 A 519 ALA H A 525 TRP HH2 1.0 . 5.50 236 229 A 525 TRP HD1 A 519 ALA H 1.0 . 5.50 237 230 A 519 ALA H A 525 TRP HE1 1.0 . 4.20 238 231 A 480 GLN HBy A 480 GLN H 1.0 . 3.02 239 232 A 478 THR HG2% A 480 GLN H 1.0 . 3.59 240 233 A 525 TRP HE3 A 480 GLN H 1.0 . 4.53 241 234 A 480 GLN H A 480 GLN HE2x 1.0 . 4.16 242 235 A 478 THR HA A 480 GLN H 1.0 . 4.29 243 236 A 497 LEU HA A 530 LYS H 1.0 . 5.34 244 237 A 530 LYS H A 529 TYR HBx 1.0 . 4.28 245 238 A 530 LYS H A 529 TYR HBy 1.0 . 4.45 246 239 A 530 LYS H A 530 LYS HBx 1.0 . 3.45 247 240 A 500 LEU HBy A 530 LYS H 1.0 . 4.45 248 241 A 530 LYS H A 497 LEU HBx 1.0 . 3.83 249 242 A 530 LYS H A 497 LEU HDx% 1.0 . 3.73 250 243 A 530 LYS H A 499 LEU HDy% 1.0 . 5.50 251 244 A 497 LEU HDy% A 530 LYS H 1.0 . 4.31 252 245 A 530 LYS H A 499 LEU HDx% 1.0 . 5.50 253 246 A 468 TYR HE% A 530 LYS H 1.0 . 4.40 254 247 A 530 LYS H A 473 GLU HA 1.0 . 5.04 255 248 A 503 ASN H A 504 GLY HAy 1.0 . 5.35 256 249 A 503 ASN H A 504 GLY HAx 1.0 . 5.35 257 250 A 503 ASN H A 503 ASN HBx 1.0 . 3.82 258 250 A 503 ASN HBy A 503 ASN H 1.0 . 3.82 259 251 A 526 TYR HBy A 503 ASN H 1.0 . 3.84 260 252 A 526 TYR HBx A 503 ASN H 1.0 . 5.23 261 253 A 503 ASN H A 502 ILE HB 1.0 . 4.55 262 254 A 525 TRP HBy A 503 ASN H 1.0 . 5.32 263 255 A 527 ILE HG1x A 503 ASN H 1.0 . 5.32 264 256 A 503 ASN H A 502 ILE HG1x 1.0 . 5.12 265 257 A 503 ASN H A 527 ILE HG2% 1.0 . 5.50 266 258 A 503 ASN H A 502 ILE HG2% 1.0 . 3.33 267 259 A 502 ILE H A 503 ASN H 1.0 . 4.23 268 260 A 503 ASN H A 504 GLY H 1.0 . 3.62 269 261 A 526 TYR H A 503 ASN H 1.0 . 3.86 270 262 A 505 THR H A 503 ASN H 1.0 . 4.63 271 263 A 526 TYR HD% A 503 ASN H 1.0 . 4.75 272 264 A 503 ASN H A 475 TYR HE% 1.0 . 5.27 273 265 A 502 ILE HA A 503 ASN H 1.0 . 2.76 274 266 A 503 ASN H A 527 ILE HA 1.0 . 4.10 275 267 A 458 GLU H A 459 TYR HBx 1.0 . 5.37 276 268 A 471 ALA HA A 472 GLY H 1.0 . 2.73 277 269 A 471 ALA HB% A 472 GLY H 1.0 . 3.67 278 270 A 471 ALA H A 472 GLY H 1.0 . 4.34 279 271 A 468 TYR HE% A 472 GLY H 1.0 . 4.93 280 272 A 472 GLY H A 530 LYS HA 1.0 . 4.83 281 273 A 513 ALA HA A 515 HIS H 1.0 . 4.33 282 274 A 515 HIS H A 515 HIS HBy 1.0 . 4.02 283 275 A 515 HIS H A 515 HIS HBx 1.0 . 4.02 284 276 A 515 HIS H A 514 GLN HBy 1.0 . 4.25 285 277 A 515 HIS H A 514 GLN HBx 1.0 . 4.25 286 278 A 513 ALA HB% A 515 HIS H 1.0 . 3.65 287 279 A 516 GLN H A 515 HIS H 1.0 . 3.78 288 280 A 515 HIS H A 515 HIS HD2 1.0 . 5.35 289 281 A 507 TYR HA A 509 ASN H 1.0 . 4.10 290 282 A 508 THR HA A 509 ASN H 1.0 . 3.56 291 283 A 509 ASN H A 509 ASN HBx 1.0 . 3.83 292 283 A 509 ASN H A 509 ASN HBy 1.0 . 3.83 293 284 A 508 THR HG2% A 509 ASN H 1.0 . 3.23 294 285 A 500 LEU H A 509 ASN H 1.0 . 5.48 295 286 A 527 ILE H A 526 TYR HA 1.0 . 2.91 296 287 A 526 TYR HBy A 527 ILE H 1.0 . 4.20 297 288 A 526 TYR HBx A 527 ILE H 1.0 . 4.15 298 289 A 527 ILE H A 527 ILE HB 1.0 . 3.18 299 290 A 527 ILE HG1x A 527 ILE H 1.0 . 3.48 300 291 A 477 LYS HBy A 527 ILE H 1.0 . 5.12 301 292 A 527 ILE H A 527 ILE HG2% 1.0 . 3.88 302 293 A 527 ILE H A 527 ILE HD1% 1.0 . 3.90 303 294 A 477 LYS HA A 527 ILE H 1.0 . 3.83 304 295 A 513 ALA H A 512 VAL HA 1.0 . 2.70 305 296 A 513 ALA H A 516 GLN HBy 1.0 . 4.23 306 297 A 513 ALA H A 516 GLN HBx 1.0 . 4.23 307 298 A 513 ALA H A 512 VAL HB 1.0 . 4.21 308 299 A 513 ALA H A 512 VAL HGx% 1.0 . 3.79 309 300 A 513 ALA HB% A 513 ALA H 1.0 . 3.13 310 301 A 513 ALA H A 512 VAL HGy% 1.0 . 3.79 311 302 A 514 GLN H A 513 ALA H 1.0 . 4.76 312 303 A 513 ALA H A 511 TRP HE3 1.0 . 3.92 313 304 A 513 ALA H A 511 TRP HZ3 1.0 . 3.87 314 305 A 496 ASN HBx A 536 GLY H 1.0 . 4.85 315 306 A 496 ASN HBy A 536 GLY H 1.0 . 5.50 316 307 A 533 VAL HGy% A 536 GLY H 1.0 . 3.24 317 308 A 535 TRP H A 536 GLY H 1.0 . 3.34 318 309 A 536 GLY H A 534 SER H 1.0 . 4.64 319 310 A 516 GLN H A 514 GLN HA 1.0 . 4.44 320 311 A 516 GLN H A 516 GLN HBy 1.0 . 3.72 321 312 A 516 GLN H A 516 GLN HBx 1.0 . 3.72 322 313 A 516 GLN H A 516 GLN HGx 1.0 . 3.46 323 313 A 516 GLN H A 516 GLN HGy 1.0 . 3.46 324 314 A 516 GLN H A 517 ILE HG1x 1.0 . 4.20 325 315 A 513 ALA HB% A 516 GLN H 1.0 . 3.59 326 316 A 516 GLN H A 512 VAL HGy% 1.0 . 5.50 327 317 A 516 GLN H A 517 ILE HD1% 1.0 . 4.79 328 318 A 516 GLN H A 515 HIS HD2 1.0 . 5.19 329 319 A 516 GLN H A 513 ALA H 1.0 . 5.06 330 320 A 496 ASN HBx A 496 ASN HD2x 1.0 . 3.00 331 321 A 496 ASN HD2x A 497 LEU HBy 1.0 . 4.71 332 322 A 493 ASN HD2y A 494 SER H 1.0 . 4.02 333 323 A 486 ASN HA A 488 TRP HE1 1.0 . 4.42 334 324 A 486 ASN H A 486 ASN HBy 1.0 . 3.64 335 325 A 486 ASN H A 486 ASN HBx 1.0 . 3.64 336 326 A 507 TYR HA A 510 VAL H 1.0 . 3.69 337 327 A 508 THR HA A 510 VAL H 1.0 . 4.72 338 328 A 510 VAL H A 510 VAL HB 1.0 . 3.91 339 329 A 510 VAL H A 510 VAL HGx% 1.0 . 2.93 340 330 A 509 ASN H A 510 VAL H 1.0 . 3.38 341 331 A 540 ILE HG2% A 514 GLN HE2y 1.0 . 3.61 342 332 A 474 TYR HA A 529 TYR H 1.0 . 5.16 343 333 A 529 TYR H A 528 HIS HBy 1.0 . 4.83 344 334 A 529 TYR H A 528 HIS HBx 1.0 . 4.30 345 335 A 529 TYR HBx A 529 TYR H 1.0 . 3.91 346 336 A 529 TYR HBy A 529 TYR H 1.0 . 3.18 347 337 A 529 TYR H A 474 TYR HBy 1.0 . 4.66 348 338 A 529 TYR H A 529 TYR HD% 1.0 . 4.30 349 339 A 529 TYR H A 528 HIS HA 1.0 . 2.91 350 340 A 473 GLU H A 472 GLY HAy 1.0 . 3.02 351 341 A 473 GLU H A 472 GLY HAx 1.0 . 3.02 352 342 A 473 GLU H A 473 GLU HBy 1.0 . 3.56 353 343 A 473 GLU H A 473 GLU HBx 1.0 . 3.56 354 344 A 473 GLU H A 530 LYS HGy 1.0 . 5.11 355 345 A 468 TYR HE% A 473 GLU H 1.0 . 5.50 356 346 A 530 LYS HA A 473 GLU H 1.0 . 4.99 357 347 A 472 GLY H A 473 GLU H 1.0 . 4.35 358 348 A 494 SER HBy A 495 TRP H 1.0 . 3.15 359 349 A 538 VAL HB A 495 TRP H 1.0 . 5.33 360 350 A 497 LEU HG A 495 TRP H 1.0 . 3.59 361 351 A 495 TRP H A 538 VAL HGy% 1.0 . 4.15 362 352 A 497 LEU HDx% A 495 TRP H 1.0 . 4.56 363 353 A 497 LEU HDy% A 495 TRP H 1.0 . 5.06 364 354 A 494 SER H A 495 TRP H 1.0 . 4.32 365 355 A 495 TRP H A 495 TRP HD1 1.0 . 4.73 366 356 A 531 SER H A 472 GLY HAy 1.0 . 5.03 367 357 A 531 SER H A 472 GLY HAx 1.0 . 5.03 368 358 A 531 SER H A 498 ASP HBy 1.0 . 4.79 369 359 A 530 LYS HBx A 531 SER H 1.0 . 4.34 370 360 A 530 LYS HGy A 531 SER H 1.0 . 3.50 371 361 A 468 TYR HE% A 531 SER H 1.0 . 4.49 372 362 A 473 GLU HA A 531 SER H 1.0 . 3.99 373 363 A 530 LYS HA A 531 SER H 1.0 . 2.73 374 364 A 531 SER H A 532 GLY H 1.0 . 4.74 375 365 A 467 SER H A 468 TYR HA 1.0 . 4.94 376 366 A 467 SER H A 538 VAL HGx% 1.0 . 5.47 377 367 A 467 SER H A 466 PHE HE% 1.0 . 4.63 378 368 A 466 PHE H A 467 SER H 1.0 . 4.67 379 369 A 502 ILE H A 503 ASN HA 1.0 . 5.50 380 370 A 506 ASP HA A 502 ILE H 1.0 . 4.09 381 371 A 505 THR HB A 502 ILE H 1.0 . 4.14 382 372 A 502 ILE H A 502 ILE HB 1.0 . 3.35 383 373 A 501 GLU HBy A 502 ILE H 1.0 . 4.05 384 374 A 501 GLU HBx A 502 ILE H 1.0 . 3.41 385 375 A 502 ILE H A 502 ILE HG1x 1.0 . 4.06 386 376 A 502 ILE H A 502 ILE HG2% 1.0 . 4.09 387 377 A 502 ILE H A 502 ILE HD1% 1.0 . 3.91 388 378 A 502 ILE H A 504 GLY H 1.0 . 4.10 389 379 A 502 ILE H A 507 TYR HD% 1.0 . 3.87 390 380 A 501 GLU HA A 502 ILE H 1.0 . 2.72 391 381 A 513 ALA HB% A 516 GLN HE2y 1.0 . 5.50 392 382 A 463 ALA HA A 480 GLN HE2x 1.0 . 4.31 393 383 A 497 LEU HA A 498 ASP H 1.0 . 2.92 394 384 A 498 ASP H A 498 ASP HBx 1.0 . 3.73 395 385 A 498 ASP HBy A 498 ASP H 1.0 . 3.21 396 386 A 497 LEU HBx A 498 ASP H 1.0 . 3.42 397 387 A 497 LEU HDx% A 498 ASP H 1.0 . 4.94 398 388 A 497 LEU HDy% A 498 ASP H 1.0 . 3.80 399 389 A 530 LYS H A 498 ASP H 1.0 . 4.67 400 390 A 495 TRP H A 495 TRP HE1 1.0 . 5.50 401 391 A 474 TYR HA A 475 TYR H 1.0 . 2.85 402 392 A 475 TYR H A 475 TYR HBy 1.0 . 3.37 403 393 A 475 TYR H A 474 TYR HBx 1.0 . 3.32 404 394 A 474 TYR HBy A 475 TYR H 1.0 . 4.42 405 395 A 475 TYR H A 475 TYR HD% 1.0 . 4.56 406 396 A 475 TYR H A 476 TRP H 1.0 . 4.69 407 397 A 525 TRP HA A 520 ALA H 1.0 . 4.08 408 398 A 524 TYR HBx A 520 ALA H 1.0 . 5.50 409 399 A 520 ALA H A 519 ALA HA 1.0 . 2.87 410 400 A 520 ALA HB% A 520 ALA H 1.0 . 2.81 411 401 A 519 ALA HB% A 520 ALA H 1.0 . 3.09 412 402 A 520 ALA H A 526 TYR HE% 1.0 . 4.84 413 403 A 468 TYR HA A 469 ASP H 1.0 . 2.72 414 404 A 469 ASP H A 469 ASP HBy 1.0 . 4.04 415 405 A 469 ASP H A 469 ASP HBx 1.0 . 4.04 416 406 A 469 ASP H A 470 GLY H 1.0 . 4.68 417 407 A 468 TYR H A 469 ASP H 1.0 . 4.93 418 408 A 490 ARG HA A 491 TYR H 1.0 . 3.08 419 409 A 491 TYR H A 541 LYS HBx 1.0 . 4.95 420 410 A 491 TYR H A 541 LYS HBy 1.0 . 3.73 421 411 A 491 TYR H A 514 GLN HE2x 1.0 . 5.50 422 412 A 514 GLN HE2y A 491 TYR H 1.0 . 5.50 423 413 A 541 LYS H A 491 TYR H 1.0 . 5.41 424 414 A 491 TYR H A 491 TYR HE% 1.0 . 5.01 425 415 A 491 TYR HD% A 491 TYR H 1.0 . 3.93 426 416 A 498 ASP HBy A 532 GLY H 1.0 . 4.68 427 417 A 471 ALA HB% A 532 GLY H 1.0 . 4.40 428 418 A 533 VAL HGx% A 532 GLY H 1.0 . 4.14 429 419 A 533 VAL HGy% A 532 GLY H 1.0 . 3.90 430 420 A 472 GLY H A 532 GLY H 1.0 . 4.90 431 421 A 471 ALA H A 532 GLY H 1.0 . 5.50 432 422 A 532 GLY H A 498 ASP H 1.0 . 4.41 433 423 A 532 GLY H A 533 VAL H 1.0 . 3.13 434 424 A 494 SER H A 494 SER HBx 1.0 . 3.91 435 425 A 494 SER H A 493 ASN HBy 1.0 . 4.38 436 426 A 494 SER H A 493 ASN HBx 1.0 . 4.38 437 427 A 494 SER H A 495 TRP HD1 1.0 . 4.61 438 428 A 494 SER H A 493 ASN HA 1.0 . 3.04 439 429 A 494 SER H A 493 ASN HD2x 1.0 . 4.02 440 430 A 489 SER H A 489 SER HBy 1.0 . 3.97 441 431 A 489 SER H A 488 TRP HBy 1.0 . 4.53 442 432 A 489 SER H A 488 TRP HBx 1.0 . 4.62 443 433 A 520 ALA HB% A 521 SER H 1.0 . 3.69 444 434 A 513 ALA HB% A 516 GLN HE2x 1.0 . 5.50 445 435 A 541 LYS H A 492 VAL HA 1.0 . 4.08 446 436 A 541 LYS H A 540 ILE HA 1.0 . 2.78 447 437 A 541 LYS H A 541 LYS HBx 1.0 . 3.73 448 438 A 540 ILE HB A 541 LYS H 1.0 . 4.57 449 439 A 541 LYS H A 541 LYS HBy 1.0 . 3.18 450 440 A 541 LYS H A 541 LYS HGx 1.0 . 3.18 451 441 A 540 ILE HG2% A 541 LYS H 1.0 . 3.32 452 442 A 491 TYR HD% A 541 LYS H 1.0 . 5.50 453 443 A 541 LYS H A 514 GLN HE2x 1.0 . 3.67 454 444 A 540 ILE H A 541 LYS H 1.0 . 4.42 455 445 A 541 LYS H A 514 GLN HE2y 1.0 . 3.67 456 446 A 507 TYR HA A 508 THR H 1.0 . 3.09 457 447 A 506 ASP HA A 508 THR H 1.0 . 4.18 458 448 A 508 THR HB A 508 THR H 1.0 . 3.08 459 449 A 508 THR H A 507 TYR HBx 1.0 . 4.68 460 450 A 508 THR H A 506 ASP HBy 1.0 . 5.17 461 451 A 508 THR H A 506 ASP HBx 1.0 . 5.17 462 452 A 508 THR H A 507 TYR HBy 1.0 . 4.27 463 453 A 500 LEU HBx A 508 THR H 1.0 . 4.05 464 454 A 500 LEU HBy A 508 THR H 1.0 . 5.50 465 455 A 508 THR HG2% A 508 THR H 1.0 . 3.49 466 456 A 509 ASN H A 508 THR H 1.0 . 4.30 467 457 A 507 TYR HD% A 508 THR H 1.0 . 4.94 468 458 A 501 GLU HA A 508 THR H 1.0 . 5.05 469 459 A 508 THR H A 507 TYR H 1.0 . 3.13 470 460 A 481 PHE H A 480 GLN HBx 1.0 . 4.68 471 461 A 481 PHE H A 480 GLN HGx 1.0 . 4.89 472 462 A 481 PHE H A 481 PHE HBy 1.0 . 3.55 473 463 A 481 PHE H A 478 THR HG2% 1.0 . 3.89 474 464 A 481 PHE H A 481 PHE HBx 1.0 . 3.55 475 465 A 481 PHE H A 479 ASP HA 1.0 . 4.29 476 466 A 481 PHE H A 479 ASP H 1.0 . 4.78 477 467 A 481 PHE H A 480 GLN H 1.0 . 3.64 478 468 A 481 PHE H A 525 TRP HE3 1.0 . 4.14 479 469 A 481 PHE H A 480 GLN HE2x 1.0 . 4.05 480 470 A 540 ILE HA A 539 GLU H 1.0 . 4.88 481 471 A 494 SER HBx A 539 GLU H 1.0 . 4.92 482 472 A 538 VAL HGy% A 539 GLU H 1.0 . 2.84 483 473 A 497 LEU HDx% A 539 GLU H 1.0 . 4.96 484 474 A 538 VAL H A 539 GLU H 1.0 . 4.50 485 475 A 486 ASN HA A 486 ASN HD2x 1.0 . 4.13 486 476 A 506 ASP HA A 507 TYR H 1.0 . 2.76 487 477 A 508 THR HB A 507 TYR H 1.0 . 4.54 488 478 A 508 THR HA A 507 TYR H 1.0 . 4.74 489 479 A 507 TYR HBx A 507 TYR H 1.0 . 4.03 490 480 A 507 TYR H A 506 ASP HBy 1.0 . 4.52 491 481 A 507 TYR H A 506 ASP HBx 1.0 . 4.52 492 482 A 507 TYR HBy A 507 TYR H 1.0 . 3.53 493 483 A 501 GLU HBx A 507 TYR H 1.0 . 5.44 494 484 A 500 LEU HBy A 507 TYR H 1.0 . 5.47 495 485 A 507 TYR H A 500 LEU HDy% 1.0 . 4.62 496 486 A 502 ILE HD1% A 507 TYR H 1.0 . 4.20 497 487 A 506 ASP H A 507 TYR H 1.0 . 4.74 498 488 A 507 TYR HD% A 507 TYR H 1.0 . 4.20 499 489 A 501 GLU HA A 507 TYR H 1.0 . 3.37 500 490 A 525 TRP HE1 A 517 ILE HA 1.0 . 4.58 501 491 A 517 ILE HB A 525 TRP HE1 1.0 . 3.45 502 492 A 525 TRP HE1 A 519 ALA HA 1.0 . 3.71 503 493 A 517 ILE HG1x A 525 TRP HE1 1.0 . 5.34 504 494 A 517 ILE HG2% A 525 TRP HE1 1.0 . 3.14 505 495 A 519 ALA HB% A 525 TRP HE1 1.0 . 4.02 506 496 A 517 ILE H A 525 TRP HE1 1.0 . 4.63 507 497 A 481 PHE HE% A 525 TRP HE1 1.0 . 5.35 508 498 A 482 SER HA A 484 ASP H 1.0 . 4.79 509 499 A 484 ASP H A 483 THR HB 1.0 . 5.24 510 500 A 484 ASP H A 482 SER HBy 1.0 . 5.50 511 501 A 484 ASP H A 482 SER HBx 1.0 . 5.50 512 502 A 484 ASP H A 484 ASP HBy 1.0 . 3.29 513 503 A 484 ASP H A 484 ASP HBx 1.0 . 3.29 514 504 A 484 ASP H A 483 THR H 1.0 . 3.02 515 505 A 478 THR HB A 479 ASP H 1.0 . 3.91 516 506 A 479 ASP H A 479 ASP HBy 1.0 . 4.04 517 507 A 480 GLN HGx A 479 ASP H 1.0 . 3.80 518 508 A 480 GLN HBy A 479 ASP H 1.0 . 4.04 519 509 A 479 ASP H A 479 ASP HBx 1.0 . 4.04 520 510 A 479 ASP H A 464 LEU HDx% 1.0 . 5.50 521 511 A 479 ASP H A 464 LEU HDy% 1.0 . 5.50 522 512 A 480 GLN H A 479 ASP H 1.0 . 2.97 523 513 A 525 TRP HE3 A 479 ASP H 1.0 . 4.83 524 514 A 480 GLN HE2y A 479 ASP H 1.0 . 4.44 525 515 A 480 GLN HE2x A 479 ASP H 1.0 . 3.88 526 516 A 478 THR HA A 479 ASP H 1.0 . 2.86 527 517 A 463 ALA H A 466 PHE HBy 1.0 . 4.56 528 518 A 463 ALA H A 466 PHE HE% 1.0 . 4.77 529 519 A 512 VAL H A 511 TRP HBy 1.0 . 4.58 530 520 A 512 VAL H A 511 TRP HBx 1.0 . 4.58 531 521 A 512 VAL HB A 512 VAL H 1.0 . 3.85 532 522 A 492 VAL HB A 512 VAL H 1.0 . 4.02 533 523 A 512 VAL H A 512 VAL HGy% 1.0 . 4.44 534 524 A 513 ALA H A 512 VAL H 1.0 . 4.48 535 525 A 511 TRP HE3 A 512 VAL H 1.0 . 4.44 536 526 A 493 ASN HA A 512 VAL H 1.0 . 4.94 537 527 A 511 TRP HA A 512 VAL H 1.0 . 2.93 538 528 A 486 ASN HA A 486 ASN HD2y 1.0 . 4.13 539 529 A 528 HIS HBy A 528 HIS H 1.0 . 3.23 540 530 A 528 HIS HBx A 528 HIS H 1.0 . 3.45 541 531 A 527 ILE HB A 528 HIS H 1.0 . 4.07 542 532 A 501 GLU HBy A 528 HIS H 1.0 . 4.19 543 533 A 501 GLU HBx A 528 HIS H 1.0 . 5.27 544 534 A 528 HIS H A 502 ILE HG1y 1.0 . 5.50 545 535 A 527 ILE HG1x A 528 HIS H 1.0 . 5.19 546 536 A 528 HIS H A 500 LEU HG 1.0 . 5.50 547 537 A 527 ILE HG2% A 528 HIS H 1.0 . 3.17 548 538 A 528 HIS H A 501 GLU H 1.0 . 3.36 549 539 A 529 TYR H A 528 HIS H 1.0 . 4.29 550 540 A 529 TYR HD% A 528 HIS H 1.0 . 5.13 551 541 A 527 ILE HA A 528 HIS H 1.0 . 2.76 552 542 A 528 HIS HBy A 501 GLU H 1.0 . 4.34 553 543 A 528 HIS HBx A 501 GLU H 1.0 . 4.45 554 544 A 501 GLU HBy A 501 GLU H 1.0 . 3.34 555 545 A 501 GLU HBx A 501 GLU H 1.0 . 3.84 556 546 A 500 LEU HG A 501 GLU H 1.0 . 4.07 557 547 A 501 GLU H A 500 LEU HDx% 1.0 . 3.25 558 548 A 501 GLU H A 499 LEU HDx% 1.0 . 5.39 559 549 A 500 LEU H A 501 GLU H 1.0 . 3.96 560 550 A 501 GLU H A 500 LEU HA 1.0 . 2.70 561 551 A 471 ALA HA A 533 VAL H 1.0 . 3.07 562 552 A 536 GLY HAx A 533 VAL H 1.0 . 4.29 563 553 A 471 ALA HB% A 533 VAL H 1.0 . 3.95 564 554 A 533 VAL HGx% A 533 VAL H 1.0 . 3.49 565 555 A 533 VAL HGy% A 533 VAL H 1.0 . 2.94 566 556 A 536 GLY H A 533 VAL H 1.0 . 4.21 567 557 A 472 GLY H A 533 VAL H 1.0 . 4.88 568 558 A 496 ASN HBx A 496 ASN HD2y 1.0 . 3.58 569 559 A 497 LEU HBy A 496 ASN HD2y 1.0 . 5.08 570 560 A 487 ASP HA A 488 TRP H 1.0 . 3.57 571 561 A 499 LEU H A 497 LEU HA 1.0 . 3.99 572 562 A 499 LEU H A 498 ASP HBx 1.0 . 3.98 573 563 A 499 LEU H A 498 ASP HBy 1.0 . 3.30 574 564 A 499 LEU H A 530 LYS HBx 1.0 . 3.17 575 565 A 500 LEU HBy A 499 LEU H 1.0 . 5.15 576 566 A 499 LEU H A 497 LEU HBx 1.0 . 3.06 577 567 A 499 LEU H A 497 LEU HDx% 1.0 . 4.52 578 568 A 499 LEU H A 499 LEU HDy% 1.0 . 4.87 579 569 A 499 LEU H A 497 LEU HDy% 1.0 . 4.37 580 570 A 499 LEU H A 499 LEU HDx% 1.0 . 4.87 581 571 A 499 LEU H A 530 LYS HA 1.0 . 5.02 582 572 A 499 LEU H A 530 LYS H 1.0 . 3.66 583 573 A 499 LEU H A 498 ASP H 1.0 . 2.85 584 574 A 459 TYR HA A 476 TRP H 1.0 . 5.26 585 575 A 476 TRP H A 476 TRP HBy 1.0 . 3.37 586 576 A 527 ILE HB A 476 TRP H 1.0 . 3.72 587 577 A 476 TRP H A 475 TYR HBx 1.0 . 4.31 588 578 A 527 ILE HG2% A 476 TRP H 1.0 . 4.42 589 579 A 527 ILE HD1% A 476 TRP H 1.0 . 5.01 590 580 A 477 LYS H A 476 TRP H 1.0 . 4.52 591 581 A 475 TYR HD% A 476 TRP H 1.0 . 4.20 592 582 A 529 TYR HD% A 476 TRP H 1.0 . 4.90 593 583 A 528 HIS HA A 476 TRP H 1.0 . 4.42 594 584 A 476 TRP H A 475 TYR HA 1.0 . 2.92 595 585 A 527 ILE H A 476 TRP H 1.0 . 4.05 596 586 A 478 THR HB A 478 THR H 1.0 . 3.77 597 587 A 478 THR H A 525 TRP HBx 1.0 . 4.00 598 588 A 478 THR H A 525 TRP HBy 1.0 . 5.23 599 589 A 478 THR H A 524 TYR HBy 1.0 . 4.19 600 590 A 478 THR H A 527 ILE HG1x 1.0 . 4.81 601 591 A 477 LYS HBy A 478 THR H 1.0 . 3.82 602 592 A 477 LYS HBx A 478 THR H 1.0 . 4.14 603 593 A 478 THR H A 478 THR HG2% 1.0 . 2.97 604 594 A 477 LYS HGx A 478 THR H 1.0 . 4.39 605 595 A 478 THR H A 525 TRP HE3 1.0 . 4.82 606 596 A 478 THR H A 477 LYS HA 1.0 . 2.86 607 597 A 460 THR H A 476 TRP HBx 1.0 . 4.90 608 598 A 460 THR H A 462 ILE HG2% 1.0 . 4.88 609 599 A 459 TYR H A 460 THR H 1.0 . 4.83 610 600 A 504 GLY H A 503 ASN HA 1.0 . 3.23 611 601 A 505 THR HA A 504 GLY H 1.0 . 5.14 612 602 A 504 GLY H A 503 ASN HBx 1.0 . 4.17 613 602 A 503 ASN HBy A 504 GLY H 1.0 . 4.17 614 603 A 501 GLU HBy A 504 GLY H 1.0 . 4.88 615 604 A 501 GLU HBx A 504 GLY H 1.0 . 4.05 616 605 A 502 ILE HG2% A 504 GLY H 1.0 . 5.08 617 606 A 505 THR H A 504 GLY H 1.0 . 3.45 618 607 A 526 TYR HD% A 504 GLY H 1.0 . 4.83 619 608 A 501 GLU HA A 504 GLY H 1.0 . 5.50 620 609 A 502 ILE HA A 504 GLY H 1.0 . 4.20 621 610 A 496 ASN H A 496 ASN HA 1.0 . 2.89 622 611 A 494 SER HBy A 496 ASN H 1.0 . 5.39 623 612 A 536 GLY HAy A 496 ASN H 1.0 . 5.50 624 613 A 496 ASN H A 495 TRP HBy 1.0 . 3.91 625 614 A 496 ASN HBx A 496 ASN H 1.0 . 4.09 626 615 A 496 ASN H A 495 TRP HBx 1.0 . 3.91 627 616 A 497 LEU HG A 496 ASN H 1.0 . 4.87 628 617 A 538 VAL HGy% A 496 ASN H 1.0 . 5.50 629 618 A 495 TRP H A 496 ASN H 1.0 . 4.73 630 619 A 496 ASN HD2x A 496 ASN H 1.0 . 4.71 631 620 A 496 ASN HD2y A 496 ASN H 1.0 . 4.49 632 621 A 519 ALA HB% A 523 GLY H 1.0 . 3.83 633 622 A 522 ASP H A 523 GLY H 1.0 . 3.15 634 623 A 524 TYR H A 523 GLY H 1.0 . 3.25 635 624 A 526 TYR HE% A 523 GLY H 1.0 . 5.50 636 625 A 496 ASN HBx A 497 LEU H 1.0 . 4.33 637 626 A 497 LEU HBy A 497 LEU H 1.0 . 3.18 638 627 A 497 LEU HG A 497 LEU H 1.0 . 3.31 639 628 A 497 LEU HBx A 497 LEU H 1.0 . 3.59 640 629 A 497 LEU HDx% A 497 LEU H 1.0 . 3.80 641 630 A 497 LEU HDy% A 497 LEU H 1.0 . 3.71 642 631 A 496 ASN H A 497 LEU H 1.0 . 3.43 643 632 A 495 TRP H A 497 LEU H 1.0 . 4.26 644 633 A 498 ASP H A 497 LEU H 1.0 . 4.84 645 634 A 499 LEU H A 497 LEU H 1.0 . 5.50 646 635 A 496 ASN HD2x A 497 LEU H 1.0 . 3.80 647 636 A 496 ASN HD2y A 497 LEU H 1.0 . 3.27 648 637 A 459 TYR H A 475 TYR HBx 1.0 . 5.03 649 638 A 459 TYR H A 459 TYR HE% 1.0 . 4.83 650 639 A 492 VAL HA A 493 ASN H 1.0 . 2.81 651 640 A 540 ILE HA A 493 ASN H 1.0 . 4.21 652 641 A 493 ASN H A 493 ASN HBy 1.0 . 3.89 653 642 A 493 ASN H A 493 ASN HBx 1.0 . 3.89 654 643 A 492 VAL HB A 493 ASN H 1.0 . 4.32 655 644 A 538 VAL HGy% A 493 ASN H 1.0 . 4.09 656 645 A 493 ASN H A 492 VAL HGx% 1.0 . 4.19 657 646 A 493 ASN H A 492 VAL HGy% 1.0 . 4.19 658 647 A 494 SER H A 493 ASN H 1.0 . 4.74 659 648 A 491 TYR HE% A 493 ASN H 1.0 . 4.80 660 649 A 491 TYR HD% A 493 ASN H 1.0 . 4.16 661 650 A 511 TRP HA A 493 ASN H 1.0 . 5.47 662 651 A 464 LEU H A 480 GLN HBx 1.0 . 4.50 663 652 A 464 LEU H A 480 GLN HE2x 1.0 . 4.84 664 653 A 482 SER HA A 483 THR H 1.0 . 2.81 665 654 A 536 GLY HAx A 470 GLY H 1.0 . 4.45 666 655 A 470 GLY H A 469 ASP HBy 1.0 . 4.55 667 656 A 470 GLY H A 469 ASP HBx 1.0 . 4.55 668 657 A 471 ALA HB% A 470 GLY H 1.0 . 5.17 669 658 A 536 GLY H A 470 GLY H 1.0 . 4.20 670 659 A 535 TRP H A 470 GLY H 1.0 . 5.50 671 660 A 470 GLY H A 469 ASP HA 1.0 . 2.88 672 661 A 470 GLY H A 535 TRP HA 1.0 . 5.50 673 662 A 529 TYR HBx A 474 TYR H 1.0 . 4.76 674 663 A 529 TYR HBy A 474 TYR H 1.0 . 3.38 675 664 A 474 TYR H A 473 GLU HGx 1.0 . 4.57 676 665 A 530 LYS HGy A 474 TYR H 1.0 . 5.50 677 666 A 474 TYR HBy A 474 TYR H 1.0 . 3.83 678 667 A 475 TYR H A 474 TYR H 1.0 . 4.60 679 668 A 473 GLU H A 474 TYR H 1.0 . 4.61 680 669 A 468 TYR HE% A 474 TYR H 1.0 . 4.52 681 670 A 474 TYR H A 474 TYR HD% 1.0 . 4.00 682 671 A 473 GLU HA A 474 TYR H 1.0 . 2.82 683 672 A 530 LYS HA A 474 TYR H 1.0 . 4.01 684 673 A 487 ASP H A 487 ASP HBy 1.0 . 3.66 685 674 A 487 ASP H A 486 ASN HBy 1.0 . 3.89 686 675 A 487 ASP H A 486 ASN HBx 1.0 . 3.89 687 676 A 487 ASP H A 487 ASP HBx 1.0 . 3.66 688 677 A 486 ASN H A 487 ASP H 1.0 . 3.07 689 678 A 468 TYR H A 467 SER HA 1.0 . 2.82 690 679 A 468 TYR H A 468 TYR HBy 1.0 . 4.02 691 680 A 468 TYR H A 468 TYR HBx 1.0 . 3.42 692 681 A 468 TYR H A 538 VAL HGx% 1.0 . 3.06 693 682 A 467 SER H A 468 TYR H 1.0 . 4.64 694 683 A 468 TYR H A 466 PHE HE% 1.0 . 4.94 695 684 A 535 TRP H A 533 VAL HA 1.0 . 4.33 696 685 A 535 TRP H A 534 SER HBx 1.0 . 4.06 697 685 A 534 SER HBy A 535 TRP H 1.0 . 4.06 698 686 A 536 GLY HAx A 535 TRP H 1.0 . 5.01 699 687 A 535 TRP H A 535 TRP HBy 1.0 . 3.81 700 688 A 535 TRP H A 535 TRP HBx 1.0 . 3.81 701 689 A 535 TRP H A 533 VAL HGx% 1.0 . 4.33 702 690 A 535 TRP H A 533 VAL HB 1.0 . 3.24 703 691 A 535 TRP H A 533 VAL HGy% 1.0 . 3.24 704 692 A 535 TRP H A 534 SER H 1.0 . 4.45 705 693 A 520 ALA HA A 521 SER HBx 1.0 . 4.75 706 693 A 520 ALA HA A 521 SER HBy 1.0 . 4.75 707 694 A 522 ASP H A 521 SER HBx 1.0 . 4.49 708 694 A 522 ASP H A 521 SER HBy 1.0 . 4.49 709 695 A 541 LYS HGy A 541 LYS HEx 1.0 . 4.14 710 696 A 491 TYR HE% A 493 ASN HBy 1.0 . 4.06 711 697 A 460 THR HG2% A 461 GLU HGx 1.0 . 4.75 712 697 A 460 THR HG2% A 461 GLU HGy 1.0 . 4.75 713 698 A 460 THR HG2% A 461 GLU HBx 1.0 . 3.78 714 699 A 476 TRP HD1 A 460 THR HG2% 1.0 . 3.99 715 700 A 476 TRP HA A 460 THR HG2% 1.0 . 5.50 716 701 A 502 ILE HG1x A 527 ILE HA 1.0 . 4.53 717 702 A 512 VAL HB A 507 TYR HBy 1.0 . 4.33 718 703 A 508 THR HA A 500 LEU HDy% 1.0 . 4.40 719 704 A 507 TYR HBx A 500 LEU HDy% 1.0 . 4.39 720 705 A 507 TYR HBy A 500 LEU HDy% 1.0 . 3.99 721 706 A 500 LEU HDy% A 501 GLU H 1.0 . 5.15 722 707 A 500 LEU H A 500 LEU HDy% 1.0 . 4.71 723 708 A 500 LEU HDy% A 500 LEU HA 1.0 . 4.09 724 709 A 459 TYR HD% A 475 TYR HBx 1.0 . 4.42 725 710 A 459 TYR HBy A 477 LYS HBy 1.0 . 4.68 726 711 A 486 ASN HA A 488 TRP HD1 1.0 . 4.15 727 712 A 497 LEU HG A 494 SER HBy 1.0 . 3.77 728 713 A 457 GLY HAy A 458 GLU HBy 1.0 . 5.50 729 713 A 458 GLU HBy A 457 GLY HAx 1.0 . 5.50 730 714 A 457 GLY HAy A 458 GLU HBx 1.0 . 5.50 731 714 A 457 GLY HAx A 458 GLU HBx 1.0 . 5.50 732 715 A 526 TYR HBy A 475 TYR HE% 1.0 . 3.80 733 716 A 488 TRP HBx A 489 SER HA 1.0 . 4.78 734 717 A 501 GLU HBy A 499 LEU HDx% 1.0 . 4.93 735 718 A 499 LEU HBy A 499 LEU HDx% 1.0 . 4.16 736 719 A 499 LEU HBx A 499 LEU HDx% 1.0 . 4.16 737 720 A 500 LEU H A 499 LEU HDx% 1.0 . 4.60 738 721 A 464 LEU HBy A 465 PRO HA 1.0 . 3.16 739 722 A 459 TYR HD% A 460 THR HA 1.0 . 4.56 740 723 A 527 ILE HA A 502 ILE HG1y 1.0 . 4.57 741 724 A 527 ILE HG1x A 527 ILE HA 1.0 . 3.96 742 725 A 527 ILE HG2% A 527 ILE HA 1.0 . 3.24 743 726 A 527 ILE HA A 527 ILE HD1% 1.0 . 4.55 744 727 A 498 ASP HBy A 530 LYS HEx 1.0 . 4.93 745 728 A 530 LYS HGy A 530 LYS HEx 1.0 . 3.81 746 729 A 491 TYR HE% A 493 ASN HBx 1.0 . 4.06 747 730 A 500 LEU HBx A 500 LEU HDy% 1.0 . 3.41 748 731 A 511 TRP H A 511 TRP HBx 1.0 . 3.80 749 732 A 530 LYS HGy A 498 ASP HBx 1.0 . 5.50 750 733 A 460 THR HG2% A 460 THR HA 1.0 . 3.29 751 734 A 540 ILE HA A 540 ILE HG1y 1.0 . 4.08 752 735 A 540 ILE HA A 540 ILE HG1x 1.0 . 4.08 753 736 A 540 ILE HG2% A 540 ILE HA 1.0 . 3.22 754 737 A 492 VAL HA A 540 ILE HA 1.0 . 3.45 755 738 A 466 PHE HD% A 540 ILE HA 1.0 . 5.50 756 739 A 500 LEU HBy A 497 LEU HG 1.0 . 4.93 757 740 A 530 LYS HBx A 499 LEU HBy 1.0 . 4.09 758 741 A 498 ASP HBy A 530 LYS HGx 1.0 . 4.90 759 742 A 531 SER H A 530 LYS HGx 1.0 . 5.00 760 743 A 530 LYS HA A 530 LYS HGx 1.0 . 4.16 761 744 A 507 TYR HA A 510 VAL HGy% 1.0 . 4.94 762 745 A 507 TYR HBx A 510 VAL HGy% 1.0 . 5.12 763 746 A 510 VAL H A 510 VAL HGy% 1.0 . 4.17 764 747 A 511 TRP HD1 A 510 VAL HGy% 1.0 . 4.46 765 748 A 461 GLU HA A 461 GLU HGx 1.0 . 3.59 766 748 A 461 GLU HGy A 461 GLU HA 1.0 . 3.59 767 749 A 477 LYS HGy A 461 GLU HA 1.0 . 3.59 768 750 A 462 ILE HG2% A 461 GLU HA 1.0 . 4.45 769 751 A 462 ILE HD1% A 466 PHE HA 1.0 . 4.86 770 752 A 461 GLU HA A 477 LYS H 1.0 . 3.61 771 753 A 466 PHE HD% A 466 PHE HA 1.0 . 3.42 772 754 A 466 PHE HE% A 468 TYR HBy 1.0 . 4.18 773 755 A 499 LEU HBx A 499 LEU HDy% 1.0 . 4.16 774 756 A 530 LYS HBx A 499 LEU HBx 1.0 . 4.09 775 757 A 499 LEU HA A 508 THR HG2% 1.0 . 3.30 776 758 A 508 THR HG2% A 509 ASN HBx 1.0 . 3.83 777 758 A 508 THR HG2% A 509 ASN HBy 1.0 . 3.83 778 759 A 508 THR HG2% A 497 LEU HBy 1.0 . 4.08 779 760 A 508 THR HG2% A 497 LEU H 1.0 . 5.49 780 761 A 508 THR HG2% A 499 LEU H 1.0 . 4.32 781 762 A 508 THR HG2% A 510 VAL H 1.0 . 4.54 782 763 A 508 THR HG2% A 509 ASN HA 1.0 . 4.41 783 764 A 480 GLN HGx A 464 LEU HDx% 1.0 . 5.50 784 765 A 480 GLN HGx A 464 LEU HDy% 1.0 . 5.50 785 766 A 480 GLN HGx A 480 GLN HA 1.0 . 3.70 786 767 A 480 GLN HGx A 480 GLN H 1.0 . 4.12 787 768 A 468 TYR HBx A 466 PHE HE% 1.0 . 4.65 788 769 A 529 TYR HBy A 474 TYR HBy 1.0 . 4.05 789 770 A 525 TRP HBy A 502 ILE HG2% 1.0 . 3.74 790 771 A 481 PHE HD% A 525 TRP HBx 1.0 . 5.09 791 772 A 483 THR HA A 515 HIS HBy 1.0 . 4.16 792 773 A 462 ILE HG1y A 527 ILE HD1% 1.0 . 3.95 793 774 A 540 ILE HG2% A 527 ILE HD1% 1.0 . 4.23 794 775 A 462 ILE HD1% A 527 ILE HD1% 1.0 . 3.60 795 776 A 478 THR HB A 527 ILE HD1% 1.0 . 4.64 796 777 A 527 ILE HB A 527 ILE HD1% 1.0 . 3.38 797 778 A 478 THR H A 527 ILE HD1% 1.0 . 4.57 798 779 A 481 PHE HE% A 527 ILE HD1% 1.0 . 3.37 799 780 A 477 LYS HA A 527 ILE HD1% 1.0 . 4.20 800 781 A 482 SER H A 482 SER HBx 1.0 . 4.03 801 782 A 476 TRP HBx A 527 ILE HB 1.0 . 4.83 802 783 A 476 TRP HBx A 462 ILE HG1x 1.0 . 5.00 803 784 A 476 TRP HBx A 527 ILE HD1% 1.0 . 5.32 804 785 A 476 TRP HBx A 462 ILE HG1y 1.0 . 3.91 805 786 A 502 ILE HB A 507 TYR HD% 1.0 . 3.27 806 787 A 481 PHE HD% A 517 ILE HB 1.0 . 4.42 807 788 A 525 TRP HD1 A 517 ILE HB 1.0 . 4.72 808 789 A 498 ASP HBy A 530 LYS HEy 1.0 . 4.93 809 790 A 530 LYS HGy A 530 LYS HEy 1.0 . 3.81 810 791 A 540 ILE H A 540 ILE HG1y 1.0 . 4.38 811 792 A 508 THR HA A 500 LEU HBx 1.0 . 3.28 812 793 A 508 THR HA A 500 LEU HBy 1.0 . 3.99 813 794 A 508 THR HA A 508 THR HG2% 1.0 . 3.30 814 795 A 508 THR HA A 509 ASN HA 1.0 . 4.71 815 796 A 512 VAL HA A 512 VAL HGy% 1.0 . 3.93 816 797 A 507 TYR HBx A 512 VAL HGy% 1.0 . 4.69 817 798 A 517 ILE HG1x A 512 VAL HGy% 1.0 . 4.45 818 799 A 526 TYR HBx A 475 TYR HE% 1.0 . 3.64 819 800 A 473 GLU HA A 473 GLU HGy 1.0 . 4.08 820 801 A 473 GLU HA A 473 GLU HGx 1.0 . 4.08 821 802 A 468 TYR HE% A 473 GLU HA 1.0 . 4.97 822 803 A 507 TYR HA A 510 VAL HGx% 1.0 . 3.65 823 804 A 512 VAL HB A 510 VAL HGx% 1.0 . 4.35 824 805 A 511 TRP H A 510 VAL HGx% 1.0 . 4.07 825 806 A 463 ALA HB% A 480 GLN HE2x 1.0 . 5.22 826 807 A 513 ALA HA A 512 VAL HA 1.0 . 4.54 827 808 A 525 TRP HA A 502 ILE HG2% 1.0 . 4.72 828 809 A 512 VAL HA A 512 VAL HGx% 1.0 . 3.93 829 810 A 525 TRP HE3 A 525 TRP HA 1.0 . 4.43 830 811 A 512 VAL HA A 511 TRP HE3 1.0 . 3.82 831 812 A 520 ALA HB% A 525 TRP HA 1.0 . 4.36 832 813 A 520 ALA HB% A 521 SER HBx 1.0 . 4.55 833 813 A 520 ALA HB% A 521 SER HBy 1.0 . 4.55 834 814 A 524 TYR HBx A 520 ALA HB% 1.0 . 5.12 835 815 A 520 ALA HB% A 523 GLY H 1.0 . 3.69 836 816 A 520 ALA HB% A 526 TYR HE% 1.0 . 3.51 837 817 A 520 ALA HB% A 524 TYR HD% 1.0 . 3.58 838 818 A 517 ILE HD1% A 512 VAL HB 1.0 . 4.62 839 819 A 467 SER HA A 539 GLU HGx 1.0 . 4.28 840 819 A 467 SER HA A 539 GLU HGy 1.0 . 4.28 841 820 A 530 LYS HBx A 531 SER HA 1.0 . 4.60 842 821 A 467 SER HA A 538 VAL HGx% 1.0 . 3.84 843 822 A 497 LEU HDx% A 531 SER HA 1.0 . 5.49 844 823 A 498 ASP H A 531 SER HA 1.0 . 3.63 845 824 A 529 TYR HBy A 474 TYR HBx 1.0 . 4.56 846 825 A 527 ILE HB A 476 TRP HBy 1.0 . 3.91 847 826 A 527 ILE HD1% A 476 TRP HBy 1.0 . 4.53 848 827 A 462 ILE HG1y A 476 TRP HBy 1.0 . 4.46 849 828 A 462 ILE HG2% A 476 TRP HBy 1.0 . 4.27 850 829 A 462 ILE HD1% A 476 TRP HBy 1.0 . 4.61 851 830 A 513 ALA HB% A 516 GLN HBx 1.0 . 4.29 852 831 A 502 ILE HD1% A 507 TYR HBy 1.0 . 3.93 853 832 A 528 HIS HA A 475 TYR HA 1.0 . 3.83 854 833 A 529 TYR HD% A 528 HIS HA 1.0 . 4.71 855 834 A 524 TYR HA A 525 TRP HZ3 1.0 . 4.68 856 835 A 517 ILE HG1x A 517 ILE HG2% 1.0 . 3.73 857 836 A 510 VAL HGx% A 507 TYR HBx 1.0 . 3.62 858 837 A 507 TYR HBx A 512 VAL HGx% 1.0 . 4.69 859 838 A 476 TRP HA A 459 TYR HA 1.0 . 4.38 860 839 A 476 TRP HA A 462 ILE HG2% 1.0 . 4.39 861 840 A 459 TYR HD% A 476 TRP HA 1.0 . 4.79 862 841 A 476 TRP HD1 A 476 TRP HA 1.0 . 3.73 863 842 A 471 ALA HB% A 532 GLY HAy 1.0 . 4.59 864 843 A 510 VAL HB A 509 ASN HBx 1.0 . 4.39 865 843 A 509 ASN HBy A 510 VAL HB 1.0 . 4.39 866 844 A 511 TRP H A 510 VAL HB 1.0 . 3.99 867 845 A 481 PHE HA A 481 PHE HD% 1.0 . 3.51 868 846 A 471 ALA HB% A 533 VAL HA 1.0 . 3.95 869 847 A 471 ALA HB% A 532 GLY HAx 1.0 . 4.59 870 848 A 468 TYR HE% A 530 LYS HA 1.0 . 4.99 871 849 A 473 GLU HA A 530 LYS HA 1.0 . 3.43 872 850 A 462 ILE HD1% A 540 ILE HG2% 1.0 . 4.52 873 851 A 540 ILE HG2% A 514 GLN HE2x 1.0 . 3.61 874 852 A 497 LEU HDx% A 497 LEU HBy 1.0 . 3.27 875 853 A 497 LEU HBy A 498 ASP H 1.0 . 4.24 876 854 A 499 LEU H A 497 LEU HBy 1.0 . 4.28 877 855 A 541 LYS HBy A 491 TYR HA 1.0 . 5.02 878 856 A 533 VAL HGy% A 496 ASN HA 1.0 . 4.55 879 857 A 511 TRP HE3 A 491 TYR HA 1.0 . 5.44 880 858 A 540 ILE HB A 466 PHE HBx 1.0 . 3.61 881 859 A 459 TYR H A 458 GLU HBy 1.0 . 5.17 882 860 A 464 LEU HA A 464 LEU HG 1.0 . 4.24 883 861 A 480 GLN HBx A 464 LEU HG 1.0 . 4.85 884 862 A 464 LEU H A 464 LEU HG 1.0 . 4.06 885 863 A 536 GLY HAx A 497 LEU HA 1.0 . 4.81 886 864 A 497 LEU HA A 497 LEU HDx% 1.0 . 3.96 887 865 A 497 LEU HDy% A 497 LEU HA 1.0 . 3.15 888 866 A 497 LEU HA A 496 ASN HD2y 1.0 . 4.30 889 867 A 511 TRP HA A 494 SER H 1.0 . 4.59 890 868 A 511 TRP HA A 511 TRP HE3 1.0 . 4.52 891 869 A 491 TYR HD% A 511 TRP HA 1.0 . 5.15 892 870 A 535 TRP H A 535 TRP HE3 1.0 . 4.44 893 871 A 467 SER HA A 539 GLU HA 1.0 . 3.27 894 872 A 540 ILE H A 539 GLU HA 1.0 . 3.15 895 873 A 506 ASP HA A 501 GLU HBy 1.0 . 4.41 896 874 A 506 ASP HA A 501 GLU HBx 1.0 . 4.23 897 875 A 506 ASP HA A 500 LEU HG 1.0 . 5.29 898 876 A 474 TYR HA A 474 TYR HD% 1.0 . 3.82 899 877 A 506 ASP HA A 501 GLU HA 1.0 . 3.61 900 878 A 511 TRP HA A 493 ASN HA 1.0 . 3.64 901 879 A 480 GLN HBx A 464 LEU HBx 1.0 . 5.22 902 880 A 480 GLN HBx A 464 LEU HDx% 1.0 . 4.77 903 881 A 480 GLN H A 480 GLN HBx 1.0 . 4.20 904 882 A 540 ILE HD1% A 538 VAL HGy% 1.0 . 4.39 905 883 A 497 LEU HDy% A 538 VAL HGy% 1.0 . 4.03 906 884 A 538 VAL HGy% A 494 SER HBx 1.0 . 3.45 907 885 A 497 LEU HBy A 538 VAL HGy% 1.0 . 4.58 908 886 A 538 VAL H A 538 VAL HGy% 1.0 . 5.14 909 887 A 483 THR HA A 515 HIS HBx 1.0 . 4.16 910 888 A 536 GLY HAy A 496 ASN HBx 1.0 . 3.67 911 889 A 541 LYS HA A 465 PRO HBy 1.0 . 3.96 912 890 A 541 LYS HA A 541 LYS HDy 1.0 . 3.85 913 891 A 541 LYS HA A 541 LYS HDx 1.0 . 3.85 914 892 A 464 LEU HBy A 541 LYS HA 1.0 . 4.36 915 893 A 541 LYS HA A 541 LYS HGx 1.0 . 4.09 916 894 A 541 LYS HA A 465 PRO HA 1.0 . 3.77 917 895 A 477 LYS HBy A 524 TYR HBx 1.0 . 5.03 918 896 A 498 ASP HBx A 530 LYS HDy 1.0 . 4.54 919 897 A 459 TYR HBy A 477 LYS HBx 1.0 . 4.38 920 898 A 498 ASP HBy A 530 LYS HBy 1.0 . 5.13 921 899 A 477 LYS HBx A 526 TYR HD% 1.0 . 4.16 922 900 A 489 SER H A 489 SER HBx 1.0 . 3.97 923 901 A 505 THR HG2% A 505 THR HA 1.0 . 3.13 924 902 A 499 LEU HA A 501 GLU H 1.0 . 5.50 925 903 A 502 ILE HG2% A 503 ASN HBx 1.0 . 4.04 926 903 A 503 ASN HBy A 502 ILE HG2% 1.0 . 4.04 927 904 A 510 VAL H A 509 ASN HBx 1.0 . 3.88 928 904 A 509 ASN HBy A 510 VAL H 1.0 . 3.88 929 905 A 536 GLY HAy A 497 LEU HDy% 1.0 . 3.86 930 906 A 530 LYS HBx A 530 LYS HEy 1.0 . 4.53 931 907 A 530 LYS HBx A 498 ASP HBy 1.0 . 3.76 932 908 A 482 SER H A 482 SER HBy 1.0 . 4.03 933 909 A 533 VAL HGy% A 533 VAL HA 1.0 . 3.99 934 910 A 533 VAL HGy% A 471 ALA HA 1.0 . 4.35 935 911 A 536 GLY HAx A 533 VAL HGy% 1.0 . 4.43 936 912 A 496 ASN HBx A 533 VAL HGy% 1.0 . 4.38 937 913 A 510 VAL HA A 510 VAL HGy% 1.0 . 3.19 938 914 A 510 VAL HA A 510 VAL HGx% 1.0 . 3.65 939 915 A 513 ALA HB% A 488 TRP HA 1.0 . 4.71 940 916 A 513 ALA HB% A 516 GLN HBy 1.0 . 4.29 941 917 A 513 ALA HB% A 516 GLN HGx 1.0 . 3.62 942 917 A 513 ALA HB% A 516 GLN HGy 1.0 . 3.62 943 918 A 513 ALA HB% A 517 ILE HG1x 1.0 . 4.97 944 919 A 513 ALA HB% A 488 TRP HZ3 1.0 . 3.76 945 920 A 513 ALA HB% A 488 TRP HE3 1.0 . 3.83 946 921 A 513 ALA HB% A 511 TRP HZ3 1.0 . 4.06 947 922 A 496 ASN HBy A 533 VAL HGy% 1.0 . 4.23 948 923 A 536 GLY HAy A 496 ASN HBy 1.0 . 4.19 949 924 A 488 TRP HBy A 488 TRP HZ3 1.0 . 5.43 950 925 A 466 PHE HBx A 464 LEU HA 1.0 . 4.44 951 926 A 520 ALA HA A 523 GLY H 1.0 . 4.49 952 927 A 501 GLU HBy A 499 LEU HDy% 1.0 . 4.93 953 928 A 499 LEU HDy% A 499 LEU HBy 1.0 . 4.16 954 929 A 501 GLU H A 499 LEU HDy% 1.0 . 5.39 955 930 A 530 LYS HBx A 498 ASP HBx 1.0 . 4.46 956 931 A 498 ASP HBx A 530 LYS HDx 1.0 . 4.54 957 932 A 461 GLU HBy A 477 LYS HEx 1.0 . 4.16 958 933 A 477 LYS HGx A 477 LYS HEx 1.0 . 3.78 959 934 A 480 GLN HBx A 464 LEU HDy% 1.0 . 4.77 960 935 A 478 THR HA A 462 ILE HG1y 1.0 . 4.48 961 936 A 467 SER HA A 468 TYR HA 1.0 . 4.74 962 937 A 520 ALA HB% A 519 ALA HA 1.0 . 4.39 963 938 A 525 TRP HD1 A 519 ALA HA 1.0 . 4.60 964 939 A 526 TYR HBx A 459 TYR HE% 1.0 . 4.60 965 940 A 465 PRO HA A 464 LEU HBx 1.0 . 3.85 966 941 A 464 LEU H A 464 LEU HBx 1.0 . 3.74 967 942 A 466 PHE HBy A 464 LEU HA 1.0 . 3.92 968 943 A 458 GLU HA A 459 TYR HBx 1.0 . 5.42 969 944 A 459 TYR HD% A 458 GLU HA 1.0 . 4.56 970 945 A 529 TYR HBx A 500 LEU HDx% 1.0 . 4.01 971 946 A 500 LEU HBx A 500 LEU HDx% 1.0 . 3.54 972 947 A 502 ILE HG1y A 500 LEU HDx% 1.0 . 4.14 973 948 A 500 LEU H A 500 LEU HDx% 1.0 . 4.85 974 949 A 530 LYS H A 500 LEU HDx% 1.0 . 5.10 975 950 A 529 TYR HD% A 500 LEU HDx% 1.0 . 4.09 976 951 A 500 LEU HDx% A 500 LEU HA 1.0 . 3.27 977 952 A 516 GLN HA A 516 GLN HGx 1.0 . 3.90 978 952 A 516 GLN HGy A 516 GLN HA 1.0 . 3.90 979 953 A 492 VAL HA A 492 VAL HGy% 1.0 . 3.50 980 954 A 517 ILE HD1% A 502 ILE HG2% 1.0 . 4.05 981 955 A 502 ILE HG2% A 503 ASN HA 1.0 . 4.60 982 956 A 525 TRP HBx A 502 ILE HG2% 1.0 . 4.17 983 957 A 502 ILE HG2% A 502 ILE HG1y 1.0 . 3.44 984 958 A 527 ILE HG1x A 502 ILE HG2% 1.0 . 3.79 985 959 A 517 ILE HG1x A 502 ILE HG2% 1.0 . 4.46 986 960 A 526 TYR H A 502 ILE HG2% 1.0 . 4.45 987 961 A 481 PHE HE% A 502 ILE HG2% 1.0 . 3.66 988 962 A 525 TRP HD1 A 502 ILE HG2% 1.0 . 3.36 989 963 A 502 ILE HA A 502 ILE HG2% 1.0 . 3.36 990 964 A 502 ILE HG2% A 527 ILE HA 1.0 . 4.26 991 965 A 534 SER HA A 471 ALA HB% 1.0 . 3.78 992 966 A 534 SER HA A 533 VAL HA 1.0 . 4.53 993 967 A 464 LEU HBy A 464 LEU HDx% 1.0 . 3.78 994 968 A 461 GLU HBy A 477 LYS HEy 1.0 . 4.16 995 969 A 477 LYS HGx A 477 LYS HEy 1.0 . 3.78 996 970 A 538 VAL HB A 497 LEU HG 1.0 . 2.92 997 971 A 538 VAL HB A 497 LEU HDx% 1.0 . 3.49 998 972 A 538 VAL HB A 497 LEU HDy% 1.0 . 4.55 999 973 A 538 VAL HB A 539 GLU H 1.0 . 4.23 1000 974 A 538 VAL HB A 468 TYR HE% 1.0 . 4.21 1001 975 A 517 ILE HD1% A 517 ILE HA 1.0 . 4.43 1002 976 A 517 ILE HD1% A 502 ILE HB 1.0 . 3.50 1003 977 A 517 ILE HD1% A 517 ILE HB 1.0 . 3.84 1004 978 A 517 ILE HD1% A 525 TRP HBy 1.0 . 5.16 1005 979 A 492 VAL HB A 517 ILE HD1% 1.0 . 4.90 1006 980 A 517 ILE HD1% A 517 ILE HG2% 1.0 . 2.99 1007 981 A 517 ILE HD1% A 502 ILE HD1% 1.0 . 3.18 1008 982 A 517 ILE HD1% A 481 PHE HE% 1.0 . 3.34 1009 983 A 517 ILE HD1% A 481 PHE HD% 1.0 . 4.56 1010 984 A 517 ILE HD1% A 525 TRP HD1 1.0 . 4.91 1011 985 A 461 GLU HBy A 477 LYS HGx 1.0 . 4.39 1012 986 A 492 VAL HB A 500 LEU HDx% 1.0 . 5.50 1013 987 A 492 VAL HA A 492 VAL HGx% 1.0 . 3.50 1014 988 A 517 ILE HG1x A 512 VAL HGx% 1.0 . 4.45 1015 989 A 512 VAL H A 512 VAL HGx% 1.0 . 4.44 1016 990 A 516 GLN H A 512 VAL HGx% 1.0 . 5.50 1017 991 A 462 ILE HG2% A 540 ILE HD1% 1.0 . 5.21 1018 992 A 462 ILE HD1% A 540 ILE HD1% 1.0 . 3.50 1019 993 A 466 PHE HBx A 540 ILE HD1% 1.0 . 4.27 1020 994 A 540 ILE HB A 540 ILE HD1% 1.0 . 3.41 1021 995 A 538 VAL HGx% A 540 ILE HD1% 1.0 . 3.57 1022 996 A 466 PHE HD% A 540 ILE HD1% 1.0 . 3.45 1023 997 A 462 ILE HG1y A 478 THR H 1.0 . 4.80 1024 998 A 462 ILE HG1y A 463 ALA H 1.0 . 4.65 1025 999 A 502 ILE HB A 502 ILE HD1% 1.0 . 3.42 1026 1000 A 501 GLU HBy A 502 ILE HD1% 1.0 . 5.10 1027 1001 A 502 ILE HD1% A 500 LEU HG 1.0 . 4.09 1028 1002 A 527 ILE HG2% A 502 ILE HD1% 1.0 . 3.79 1029 1003 A 502 ILE HD1% A 507 TYR HD% 1.0 . 3.84 1030 1004 A 496 ASN HA A 495 TRP HA 1.0 . 4.83 1031 1005 A 463 ALA HA A 466 PHE HBy 1.0 . 5.50 1032 1006 A 463 ALA HA A 464 LEU HG 1.0 . 5.13 1033 1007 A 490 ARG HA A 541 LYS HBx 1.0 . 3.69 1034 1008 A 490 ARG HA A 541 LYS HBy 1.0 . 3.28 1035 1009 A 490 ARG HA A 541 LYS HGy 1.0 . 4.10 1036 1010 A 490 ARG HA A 541 LYS HGx 1.0 . 4.64 1037 1011 A 462 ILE HD1% A 462 ILE HA 1.0 . 4.43 1038 1012 A 478 THR HB A 462 ILE HD1% 1.0 . 4.08 1039 1013 A 462 ILE HD1% A 466 PHE HBy 1.0 . 4.04 1040 1014 A 476 TRP HBx A 462 ILE HD1% 1.0 . 4.09 1041 1015 A 462 ILE HD1% A 466 PHE HBx 1.0 . 3.93 1042 1016 A 462 ILE HD1% A 527 ILE HG1x 1.0 . 5.25 1043 1017 A 462 ILE HD1% A 462 ILE HB 1.0 . 3.28 1044 1018 A 462 ILE HG2% A 462 ILE HD1% 1.0 . 3.06 1045 1019 A 462 ILE HD1% A 466 PHE HD% 1.0 . 3.93 1046 1020 A 462 ILE HD1% A 466 PHE HE% 1.0 . 4.33 1047 1021 A 541 LYS HGy A 541 LYS HEy 1.0 . 4.14 1048 1022 A 491 TYR H A 541 LYS HGy 1.0 . 5.50 1049 1023 A 477 LYS HGy A 524 TYR HD% 1.0 . 5.50 1050 1024 A 501 GLU HA A 500 LEU HA 1.0 . 4.44 1051 1025 A 462 ILE HG1x A 461 GLU HGx 1.0 . 4.54 1052 1025 A 461 GLU HGy A 462 ILE HG1x 1.0 . 4.54 1053 1026 A 477 LYS HGx A 461 GLU HGx 1.0 . 4.76 1054 1026 A 461 GLU HGy A 477 LYS HGx 1.0 . 4.76 1055 1027 A 462 ILE HA A 461 GLU HGx 1.0 . 4.36 1056 1027 A 461 GLU HGy A 462 ILE HA 1.0 . 4.36 1057 1028 A 479 ASP H A 461 GLU HGx 1.0 . 5.08 1058 1028 A 461 GLU HGy A 479 ASP H 1.0 . 5.08 1059 1029 A 478 THR HA A 461 GLU HGx 1.0 . 4.08 1060 1029 A 461 GLU HGy A 478 THR HA 1.0 . 4.08 1061 1030 A 521 SER HA A 522 ASP HA 1.0 . 4.75 1062 1031 A 520 ALA HA A 521 SER HA 1.0 . 4.38 1063 1032 A 523 GLY H A 521 SER HA 1.0 . 4.68 1064 1033 A 519 ALA HB% A 520 ALA HA 1.0 . 5.03 1065 1034 A 519 ALA HB% A 524 TYR HA 1.0 . 5.30 1066 1035 A 519 ALA HB% A 523 GLY HAy 1.0 . 4.05 1067 1036 A 519 ALA HB% A 523 GLY HAx 1.0 . 4.05 1068 1037 A 520 ALA HB% A 519 ALA HB% 1.0 . 4.64 1069 1038 A 519 ALA HB% A 525 TRP HE3 1.0 . 4.84 1070 1039 A 519 ALA HB% A 525 TRP HZ2 1.0 . 3.71 1071 1040 A 519 ALA HB% A 525 TRP HH2 1.0 . 4.00 1072 1041 A 538 VAL HGx% A 529 TYR HBx 1.0 . 4.39 1073 1042 A 468 TYR HE% A 529 TYR HBx 1.0 . 3.58 1074 1043 A 524 TYR HBy A 525 TRP HA 1.0 . 5.09 1075 1044 A 463 ALA HB% A 462 ILE HA 1.0 . 3.98 1076 1045 A 462 ILE HG2% A 462 ILE HA 1.0 . 3.08 1077 1046 A 525 TRP HD1 A 525 TRP HA 1.0 . 4.00 1078 1047 A 525 TRP HA A 524 TYR HE% 1.0 . 5.50 1079 1048 A 502 ILE H A 502 ILE HG1y 1.0 . 4.67 1080 1049 A 507 TYR HD% A 502 ILE HG1y 1.0 . 4.74 1081 1050 A 514 GLN HA A 517 ILE HB 1.0 . 4.44 1082 1051 A 514 GLN HA A 514 GLN HGy 1.0 . 4.06 1083 1052 A 513 ALA HB% A 514 GLN HA 1.0 . 5.21 1084 1053 A 514 GLN HA A 514 GLN HGx 1.0 . 4.06 1085 1054 A 517 ILE HD1% A 514 GLN HA 1.0 . 3.87 1086 1055 A 514 GLN HA A 481 PHE HE% 1.0 . 4.62 1087 1056 A 481 PHE HD% A 514 GLN HA 1.0 . 4.26 1088 1057 A 462 ILE HB A 466 PHE HBy 1.0 . 4.59 1089 1058 A 462 ILE HB A 466 PHE HD% 1.0 . 4.21 1090 1059 A 483 THR HA A 483 THR HG2% 1.0 . 3.38 1091 1060 A 540 ILE HD1% A 527 ILE HG2% 1.0 . 3.75 1092 1061 A 540 ILE HG2% A 527 ILE HG2% 1.0 . 4.51 1093 1062 A 527 ILE HG2% A 476 TRP HBy 1.0 . 4.80 1094 1063 A 529 TYR HBx A 527 ILE HG2% 1.0 . 5.18 1095 1064 A 501 GLU HBy A 527 ILE HG2% 1.0 . 5.50 1096 1065 A 527 ILE HG2% A 502 ILE HG1y 1.0 . 4.21 1097 1066 A 527 ILE HG1x A 527 ILE HG2% 1.0 . 3.74 1098 1067 A 527 ILE HG2% A 529 TYR HD% 1.0 . 3.99 1099 1068 A 502 ILE HA A 527 ILE HG2% 1.0 . 4.59 1100 1069 A 527 ILE HG2% A 528 HIS HA 1.0 . 5.03 1101 1070 A 500 LEU HDx% A 529 TYR HA 1.0 . 3.97 1102 1071 A 482 SER H A 514 GLN HBy 1.0 . 4.20 1103 1072 A 459 TYR HA A 475 TYR HBx 1.0 . 3.76 1104 1073 A 477 LYS HBy A 524 TYR HA 1.0 . 5.50 1105 1074 A 459 TYR HA A 477 LYS HBx 1.0 . 5.42 1106 1075 A 459 TYR HD% A 459 TYR HA 1.0 . 4.41 1107 1076 A 524 TYR HA A 479 ASP HA 1.0 . 3.61 1108 1077 A 462 ILE HG2% A 460 THR HB 1.0 . 4.58 1109 1078 A 462 ILE HG2% A 478 THR HB 1.0 . 5.20 1110 1079 A 462 ILE HG2% A 476 TRP HBx 1.0 . 3.57 1111 1080 A 462 ILE HG2% A 527 ILE HB 1.0 . 5.41 1112 1081 A 460 THR HG2% A 462 ILE HG2% 1.0 . 3.98 1113 1082 A 462 ILE HG2% A 462 ILE HG1x 1.0 . 3.73 1114 1083 A 462 ILE HG2% A 462 ILE HG1y 1.0 . 3.35 1115 1084 A 476 TRP HD1 A 462 ILE HG2% 1.0 . 3.60 1116 1085 A 462 ILE HG2% A 466 PHE HD% 1.0 . 4.32 1117 1086 A 462 ILE HG2% A 466 PHE HE% 1.0 . 4.00 1118 1087 A 540 ILE HA A 541 LYS HGx 1.0 . 4.53 1119 1088 A 462 ILE HD1% A 478 THR HG2% 1.0 . 3.91 1120 1089 A 525 TRP HBx A 478 THR HG2% 1.0 . 3.63 1121 1090 A 478 THR HG2% A 525 TRP HE3 1.0 . 4.49 1122 1091 A 478 THR HG2% A 481 PHE HE% 1.0 . 3.23 1123 1092 A 481 PHE HD% A 478 THR HG2% 1.0 . 3.33 1124 1093 A 508 THR HG2% A 498 ASP HA 1.0 . 4.15 1125 1094 A 507 TYR H A 500 LEU HG 1.0 . 5.38 1126 1095 A 500 LEU HG A 500 LEU HA 1.0 . 3.99 1127 1096 A 464 LEU HBy A 464 LEU HDy% 1.0 . 3.78 1128 1097 A 502 ILE HA A 502 ILE HG1y 1.0 . 4.10 1129 1098 A 502 ILE HA A 502 ILE HG1x 1.0 . 3.62 1130 1099 A 502 ILE HA A 528 HIS H 1.0 . 4.38 1131 1100 A 502 ILE HA A 507 TYR HD% 1.0 . 5.50 1132 1101 A 478 THR HB A 462 ILE HG1x 1.0 . 3.48 1133 1102 A 478 THR HB A 540 ILE HD1% 1.0 . 5.50 1134 1103 A 478 THR HB A 462 ILE HG1y 1.0 . 3.70 1135 1104 A 494 SER HBy A 538 VAL HGy% 1.0 . 3.91 1136 1105 A 459 TYR HBy A 477 LYS HGy 1.0 . 3.81 1137 1106 A 462 ILE HG1x A 466 PHE HD% 1.0 . 4.72 1138 1107 A 525 TRP HE3 A 479 ASP HA 1.0 . 3.34 1139 1108 A 513 ALA HB% A 488 TRP HH2 1.0 . 5.28 1140 1109 A 474 TYR H A 473 GLU HGy 1.0 . 4.57 1141 1110 A 464 LEU HA A 465 PRO HBy 1.0 . 4.81 1142 1111 A 466 PHE H A 465 PRO HBy 1.0 . 4.11 1143 1112 A 497 LEU HG A 494 SER HBx 1.0 . 4.33 1144 1113 A 497 LEU HDx% A 494 SER HBx 1.0 . 3.57 1145 1114 A 495 TRP H A 494 SER HBx 1.0 . 4.25 1146 1115 A 477 LYS HA A 526 TYR HA 1.0 . 4.01 1147 1116 A 477 LYS HA A 527 ILE HG1x 1.0 . 4.85 1148 1117 A 477 LYS HGx A 477 LYS HA 1.0 . 4.03 1149 1118 A 459 TYR HD% A 477 LYS HA 1.0 . 5.26 1150 1119 A 477 LYS HA A 526 TYR HD% 1.0 . 5.01 1151 1120 A 501 GLU HA A 507 TYR HBy 1.0 . 4.40 1152 1121 A 501 GLU HA A 507 TYR HD% 1.0 . 4.29 1153 1122 A 536 GLY HAx A 496 ASN HBx 1.0 . 4.19 1154 1123 A 536 GLY HAx A 497 LEU HDy% 1.0 . 3.73 1155 1124 A 506 ASP H A 506 ASP HBy 1.0 . 3.67 1156 1125 A 464 LEU HBy A 465 PRO HBx 1.0 . 5.17 1157 1126 A 465 PRO HBx A 541 LYS HA 1.0 . 4.05 1158 1127 A 530 LYS HBx A 530 LYS HEx 1.0 . 4.53 1159 1128 A 468 TYR HD% A 497 LEU HDx% 1.0 . 4.05 1160 1129 A 468 TYR HD% A 474 TYR HBy 1.0 . 4.63 1161 1130 A 468 TYR HD% A 497 LEU HDy% 1.0 . 3.69 1162 1131 A 468 TYR HD% A 474 TYR HE% 1.0 . 4.85 1163 1132 A 540 ILE HB A 466 PHE HBy 1.0 . 4.31 1164 1133 A 540 ILE HB A 540 ILE H 1.0 . 3.77 1165 1134 A 533 VAL HGx% A 533 VAL HA 1.0 . 3.17 1166 1135 A 527 ILE HA A 526 TYR HA 1.0 . 4.61 1167 1136 A 480 GLN HGy A 464 LEU HDx% 1.0 . 5.50 1168 1137 A 480 GLN HGy A 464 LEU HDy% 1.0 . 5.50 1169 1138 A 480 GLN HA A 480 GLN HGy 1.0 . 3.84 1170 1139 A 480 GLN H A 480 GLN HGy 1.0 . 4.50 1171 1140 A 517 ILE HG2% A 517 ILE HG1y 1.0 . 3.37 1172 1141 A 517 ILE HG2% A 517 ILE HA 1.0 . 3.39 1173 1142 A 517 ILE HG2% A 518 PRO HBy 1.0 . 4.86 1174 1143 A 525 TRP HBy A 517 ILE HG2% 1.0 . 4.35 1175 1144 A 517 ILE HG2% A 518 PRO HBx 1.0 . 4.86 1176 1145 A 517 ILE HG2% A 481 PHE HE% 1.0 . 4.08 1177 1146 A 525 TRP HD1 A 517 ILE HG2% 1.0 . 3.30 1178 1147 A 528 HIS HBy A 475 TYR HBy 1.0 . 5.50 1179 1148 A 501 GLU HBx A 528 HIS HBy 1.0 . 4.87 1180 1149 A 499 LEU HA A 499 LEU HG 1.0 . 4.23 1181 1150 A 499 LEU HG A 501 GLU H 1.0 . 4.44 1182 1151 A 541 LYS HBy A 465 PRO HBy 1.0 . 5.50 1183 1152 A 502 ILE HG1y A 527 ILE HG1y 1.0 . 4.19 1184 1153 A 481 PHE HE% A 527 ILE HG1y 1.0 . 4.60 1185 1154 A 502 ILE HA A 527 ILE HG1y 1.0 . 4.61 1186 1155 A 527 ILE HA A 527 ILE HG1y 1.0 . 4.20 1187 1156 A 474 TYR HA A 475 TYR HA 1.0 . 4.49 1188 1157 A 475 TYR HA A 474 TYR H 1.0 . 4.96 1189 1158 A 495 TRP HD1 A 495 TRP HA 1.0 . 4.30 1190 1159 A 477 LYS HGx A 477 LYS H 1.0 . 4.38 1191 1160 A 462 ILE HG1x A 479 ASP H 1.0 . 5.50 1192 1161 A 524 TYR HA A 525 TRP HE3 1.0 . 3.75 1193 1162 A 497 LEU HDx% A 494 SER HBy 1.0 . 3.23 1194 1163 A 508 THR HA A 497 LEU HDx% 1.0 . 4.88 1195 1164 A 500 LEU HBx A 497 LEU HDx% 1.0 . 3.80 1196 1165 A 500 LEU HBy A 497 LEU HDx% 1.0 . 3.19 1197 1166 A 538 VAL H A 497 LEU HDx% 1.0 . 5.22 1198 1167 A 497 LEU HDx% A 494 SER H 1.0 . 5.46 1199 1168 A 468 TYR HE% A 497 LEU HDx% 1.0 . 3.78 1200 1169 A 497 LEU HDx% A 500 LEU HA 1.0 . 4.32 1201 1170 A 461 GLU H A 460 THR HB 1.0 . 4.15 1202 1171 A 460 THR H A 460 THR HB 1.0 . 3.65 1203 1172 A 476 TRP HD1 A 460 THR HB 1.0 . 3.49 1204 1173 A 501 GLU HBy A 528 HIS HBx 1.0 . 4.39 1205 1174 A 527 ILE HG1x A 526 TYR HA 1.0 . 4.40 1206 1175 A 477 LYS HBy A 526 TYR HA 1.0 . 4.17 1207 1176 A 502 ILE HG2% A 526 TYR HA 1.0 . 5.22 1208 1177 A 526 TYR HA A 476 TRP H 1.0 . 5.43 1209 1178 A 529 TYR HBy A 500 LEU HDx% 1.0 . 5.40 1210 1179 A 538 VAL HGx% A 529 TYR HBy 1.0 . 5.50 1211 1180 A 468 TYR HE% A 529 TYR HBy 1.0 . 3.86 1212 1181 A 499 LEU HG A 501 GLU HBy 1.0 . 5.17 1213 1182 A 501 GLU HBy A 528 HIS HBy 1.0 . 3.79 1214 1183 A 468 TYR HBx A 538 VAL HGx% 1.0 . 3.31 1215 1184 A 538 VAL HGx% A 468 TYR HE% 1.0 . 3.57 1216 1185 A 468 TYR HD% A 538 VAL HGx% 1.0 . 3.04 1217 1186 A 538 VAL HGx% A 466 PHE HE% 1.0 . 3.94 1218 1187 A 537 HIS HA A 538 VAL HGx% 1.0 . 4.36 1219 1188 A 458 GLU HA A 458 GLU HGy 1.0 . 3.71 1220 1188 A 458 GLU HA A 458 GLU HGx 1.0 . 3.71 1221 1189 A 459 TYR H A 458 GLU HBx 1.0 . 4.37 1222 1189 A 459 TYR H A 458 GLU HBy 1.0 . 4.37 1223 1190 A 462 ILE HD1% A 464 LEU HDx% 1.0 . 3.33 1224 1190 A 462 ILE HD1% A 464 LEU HDy% 1.0 . 3.33 1225 1191 A 463 ALA H A 464 LEU HDx% 1.0 . 4.09 1226 1191 A 463 ALA H A 464 LEU HDy% 1.0 . 4.09 1227 1192 A 464 LEU H A 464 LEU HDx% 1.0 . 3.44 1228 1192 A 464 LEU H A 464 LEU HDy% 1.0 . 3.44 1229 1193 A 464 LEU HA A 464 LEU HDx% 1.0 . 3.12 1230 1193 A 464 LEU HA A 464 LEU HDy% 1.0 . 3.12 1231 1194 A 464 LEU HBy A 464 LEU HDx% 1.0 . 3.10 1232 1194 A 464 LEU HBy A 464 LEU HDy% 1.0 . 3.10 1233 1195 A 465 PRO HA A 464 LEU HDx% 1.0 . 3.70 1234 1195 A 465 PRO HA A 464 LEU HDy% 1.0 . 3.70 1235 1196 A 466 PHE H A 464 LEU HDx% 1.0 . 3.50 1236 1196 A 466 PHE H A 464 LEU HDy% 1.0 . 3.50 1237 1197 A 466 PHE HBy A 464 LEU HDx% 1.0 . 3.52 1238 1197 A 466 PHE HBy A 464 LEU HDy% 1.0 . 3.52 1239 1198 A 466 PHE HBx A 464 LEU HDx% 1.0 . 3.57 1240 1198 A 466 PHE HBx A 464 LEU HDy% 1.0 . 3.57 1241 1199 A 478 THR HG2% A 464 LEU HDx% 1.0 . 3.55 1242 1199 A 478 THR HG2% A 464 LEU HDy% 1.0 . 3.55 1243 1200 A 479 ASP H A 464 LEU HDx% 1.0 . 4.82 1244 1200 A 479 ASP H A 464 LEU HDy% 1.0 . 4.82 1245 1201 A 480 GLN H A 464 LEU HDx% 1.0 . 4.01 1246 1201 A 480 GLN H A 464 LEU HDy% 1.0 . 4.01 1247 1202 A 480 GLN HBy A 464 LEU HDx% 1.0 . 3.75 1248 1202 A 480 GLN HBy A 464 LEU HDy% 1.0 . 3.75 1249 1203 A 480 GLN HBx A 464 LEU HDx% 1.0 . 3.78 1250 1203 A 480 GLN HBx A 464 LEU HDy% 1.0 . 3.78 1251 1204 A 480 GLN HGy A 464 LEU HDx% 1.0 . 4.82 1252 1204 A 480 GLN HGy A 464 LEU HDy% 1.0 . 4.82 1253 1205 A 481 PHE H A 464 LEU HDx% 1.0 . 4.03 1254 1205 A 481 PHE H A 464 LEU HDy% 1.0 . 4.03 1255 1206 A 481 PHE HA A 464 LEU HDx% 1.0 . 3.71 1256 1206 A 481 PHE HA A 464 LEU HDy% 1.0 . 3.71 1257 1207 A 481 PHE HD% A 464 LEU HDx% 1.0 . 3.71 1258 1207 A 481 PHE HD% A 464 LEU HDy% 1.0 . 3.71 1259 1208 A 482 SER H A 464 LEU HDx% 1.0 . 4.21 1260 1208 A 482 SER H A 464 LEU HDy% 1.0 . 4.21 1261 1209 A 464 LEU HDx% A 514 GLN HBy 1.0 . 5.25 1262 1209 A 464 LEU HDy% A 514 GLN HBy 1.0 . 5.25 1263 1209 A 514 GLN HBx A 464 LEU HDx% 1.0 . 5.25 1264 1209 A 464 LEU HDy% A 514 GLN HBx 1.0 . 5.25 1265 1210 A 465 PRO HBx A 541 LYS HDx 1.0 . 4.17 1266 1210 A 465 PRO HBx A 541 LYS HDy 1.0 . 4.17 1267 1211 A 465 PRO HBx A 541 LYS HEx 1.0 . 4.64 1268 1211 A 465 PRO HBx A 541 LYS HEy 1.0 . 4.64 1269 1212 A 465 PRO HGy A 541 LYS HEx 1.0 . 4.67 1270 1212 A 541 LYS HEy A 465 PRO HGy 1.0 . 4.67 1271 1213 A 466 PHE H A 540 ILE HG1x 1.0 . 4.88 1272 1213 A 466 PHE H A 540 ILE HG1y 1.0 . 4.88 1273 1214 A 466 PHE H A 541 LYS HDx 1.0 . 5.13 1274 1214 A 466 PHE H A 541 LYS HDy 1.0 . 5.13 1275 1215 A 466 PHE HD% A 540 ILE HG1x 1.0 . 4.33 1276 1215 A 466 PHE HD% A 540 ILE HG1y 1.0 . 4.33 1277 1216 A 467 SER H A 467 SER HBy 1.0 . 3.23 1278 1216 A 467 SER H A 467 SER HBx 1.0 . 3.23 1279 1217 A 467 SER HA A 539 GLU HBx 1.0 . 4.70 1280 1217 A 467 SER HA A 539 GLU HBy 1.0 . 4.70 1281 1218 A 468 TYR H A 467 SER HBy 1.0 . 3.14 1282 1218 A 468 TYR H A 467 SER HBx 1.0 . 3.14 1283 1219 A 538 VAL H A 467 SER HBy 1.0 . 4.98 1284 1219 A 538 VAL H A 467 SER HBx 1.0 . 4.98 1285 1220 A 539 GLU HA A 467 SER HBy 1.0 . 3.98 1286 1220 A 539 GLU HA A 467 SER HBx 1.0 . 3.98 1287 1221 A 467 SER HBx A 539 GLU HBx 1.0 . 4.76 1288 1221 A 467 SER HBy A 539 GLU HBx 1.0 . 4.76 1289 1221 A 539 GLU HBy A 467 SER HBy 1.0 . 4.76 1290 1221 A 467 SER HBx A 539 GLU HBy 1.0 . 4.76 1291 1222 A 469 ASP H A 469 ASP HBx 1.0 . 3.34 1292 1222 A 469 ASP H A 469 ASP HBy 1.0 . 3.34 1293 1223 A 470 GLY H A 469 ASP HBx 1.0 . 3.70 1294 1223 A 470 GLY H A 469 ASP HBy 1.0 . 3.70 1295 1224 A 471 ALA H A 470 GLY HAy 1.0 . 2.85 1296 1224 A 471 ALA H A 470 GLY HAx 1.0 . 2.85 1297 1225 A 471 ALA HA A 470 GLY HAy 1.0 . 5.18 1298 1225 A 471 ALA HA A 470 GLY HAx 1.0 . 5.18 1299 1226 A 534 SER HA A 470 GLY HAy 1.0 . 3.74 1300 1226 A 534 SER HA A 470 GLY HAx 1.0 . 3.74 1301 1227 A 471 ALA HA A 472 GLY HAy 1.0 . 4.30 1302 1227 A 471 ALA HA A 472 GLY HAx 1.0 . 4.30 1303 1228 A 471 ALA HB% A 472 GLY HAy 1.0 . 4.13 1304 1228 A 471 ALA HB% A 472 GLY HAx 1.0 . 4.13 1305 1229 A 471 ALA HB% A 532 GLY HAy 1.0 . 3.94 1306 1229 A 471 ALA HB% A 532 GLY HAx 1.0 . 3.94 1307 1230 A 472 GLY H A 532 GLY HAy 1.0 . 4.72 1308 1230 A 472 GLY H A 532 GLY HAx 1.0 . 4.72 1309 1231 A 531 SER H A 472 GLY HAy 1.0 . 4.26 1310 1231 A 531 SER H A 472 GLY HAx 1.0 . 4.26 1311 1232 A 473 GLU H A 473 GLU HBx 1.0 . 3.03 1312 1232 A 473 GLU H A 473 GLU HBy 1.0 . 3.03 1313 1233 A 473 GLU H A 473 GLU HGx 1.0 . 4.35 1314 1233 A 473 GLU H A 473 GLU HGy 1.0 . 4.35 1315 1234 A 473 GLU HA A 473 GLU HGx 1.0 . 3.45 1316 1234 A 473 GLU HA A 473 GLU HGy 1.0 . 3.45 1317 1235 A 530 LYS HGx A 473 GLU HBx 1.0 . 4.23 1318 1235 A 530 LYS HGx A 473 GLU HBy 1.0 . 4.23 1319 1236 A 474 TYR H A 473 GLU HGx 1.0 . 3.74 1320 1236 A 474 TYR H A 473 GLU HGy 1.0 . 3.74 1321 1237 A 530 LYS HA A 473 GLU HGx 1.0 . 4.28 1322 1237 A 530 LYS HA A 473 GLU HGy 1.0 . 4.28 1323 1238 A 530 LYS HGy A 473 GLU HGx 1.0 . 4.24 1324 1238 A 530 LYS HGy A 473 GLU HGy 1.0 . 4.24 1325 1239 A 531 SER H A 473 GLU HGx 1.0 . 4.58 1326 1239 A 531 SER H A 473 GLU HGy 1.0 . 4.58 1327 1240 A 477 LYS HBy A 477 LYS HEx 1.0 . 5.23 1328 1240 A 477 LYS HBy A 477 LYS HEy 1.0 . 5.23 1329 1241 A 477 LYS HGx A 477 LYS HEx 1.0 . 3.22 1330 1241 A 477 LYS HGx A 477 LYS HEy 1.0 . 3.22 1331 1242 A 524 TYR HBx A 477 LYS HDy 1.0 . 4.29 1332 1242 A 524 TYR HBx A 477 LYS HDx 1.0 . 4.29 1333 1243 A 526 TYR HD% A 477 LYS HDy 1.0 . 5.15 1334 1243 A 526 TYR HD% A 477 LYS HDx 1.0 . 5.15 1335 1244 A 478 THR HA A 479 ASP HBx 1.0 . 4.37 1336 1244 A 478 THR HA A 479 ASP HBy 1.0 . 4.37 1337 1245 A 478 THR HG2% A 481 PHE HBy 1.0 . 5.22 1338 1245 A 478 THR HG2% A 481 PHE HBx 1.0 . 5.22 1339 1246 A 524 TYR HA A 479 ASP HBx 1.0 . 4.29 1340 1246 A 524 TYR HA A 479 ASP HBy 1.0 . 4.29 1341 1247 A 524 TYR HBy A 479 ASP HBx 1.0 . 5.10 1342 1247 A 524 TYR HBy A 479 ASP HBy 1.0 . 5.10 1343 1248 A 481 PHE H A 481 PHE HBy 1.0 . 2.95 1344 1248 A 481 PHE H A 481 PHE HBx 1.0 . 2.95 1345 1249 A 481 PHE HA A 514 GLN HGx 1.0 . 4.66 1346 1249 A 481 PHE HA A 514 GLN HGy 1.0 . 4.66 1347 1250 A 482 SER H A 481 PHE HBy 1.0 . 4.01 1348 1250 A 482 SER H A 481 PHE HBx 1.0 . 4.01 1349 1251 A 481 PHE HBx A 514 GLN HGx 1.0 . 5.18 1350 1251 A 481 PHE HBy A 514 GLN HGx 1.0 . 5.18 1351 1251 A 514 GLN HGy A 481 PHE HBy 1.0 . 5.18 1352 1251 A 481 PHE HBx A 514 GLN HGy 1.0 . 5.18 1353 1252 A 525 TRP HE1 A 481 PHE HBy 1.0 . 5.34 1354 1252 A 525 TRP HE1 A 481 PHE HBx 1.0 . 5.34 1355 1253 A 481 PHE HD% A 514 GLN HBy 1.0 . 4.24 1356 1253 A 481 PHE HD% A 514 GLN HBx 1.0 . 4.24 1357 1254 A 482 SER H A 482 SER HBy 1.0 . 3.54 1358 1254 A 482 SER H A 482 SER HBx 1.0 . 3.54 1359 1255 A 482 SER H A 514 GLN HBy 1.0 . 3.53 1360 1255 A 482 SER H A 514 GLN HBx 1.0 . 3.53 1361 1256 A 482 SER H A 514 GLN HGx 1.0 . 4.54 1362 1256 A 482 SER H A 514 GLN HGy 1.0 . 4.54 1363 1257 A 483 THR H A 482 SER HBy 1.0 . 4.11 1364 1257 A 483 THR H A 482 SER HBx 1.0 . 4.11 1365 1258 A 484 ASP H A 482 SER HBy 1.0 . 4.70 1366 1258 A 484 ASP H A 482 SER HBx 1.0 . 4.70 1367 1259 A 482 SER HBy A 490 ARG HBy 1.0 . 4.11 1368 1259 A 482 SER HBx A 490 ARG HBy 1.0 . 4.11 1369 1259 A 490 ARG HBx A 482 SER HBy 1.0 . 4.11 1370 1259 A 482 SER HBx A 490 ARG HBx 1.0 . 4.11 1371 1260 A 482 SER HBy A 514 GLN HBy 1.0 . 4.51 1372 1260 A 482 SER HBx A 514 GLN HBy 1.0 . 4.51 1373 1260 A 514 GLN HBx A 482 SER HBy 1.0 . 4.51 1374 1260 A 514 GLN HBx A 482 SER HBx 1.0 . 4.51 1375 1261 A 483 THR H A 484 ASP HBx 1.0 . 4.47 1376 1261 A 483 THR H A 484 ASP HBy 1.0 . 4.47 1377 1262 A 483 THR H A 515 HIS HBx 1.0 . 5.34 1378 1262 A 483 THR H A 515 HIS HBy 1.0 . 5.34 1379 1263 A 483 THR HA A 515 HIS HBx 1.0 . 3.62 1380 1263 A 483 THR HA A 515 HIS HBy 1.0 . 3.62 1381 1264 A 484 ASP H A 487 ASP HBx 1.0 . 4.42 1382 1264 A 484 ASP H A 487 ASP HBy 1.0 . 4.42 1383 1265 A 487 ASP H A 484 ASP HBx 1.0 . 3.84 1384 1265 A 487 ASP H A 484 ASP HBy 1.0 . 3.84 1385 1266 A 484 ASP HBy A 487 ASP HBx 1.0 . 3.56 1386 1266 A 487 ASP HBy A 484 ASP HBx 1.0 . 3.56 1387 1266 A 484 ASP HBy A 487 ASP HBy 1.0 . 3.56 1388 1266 A 484 ASP HBx A 487 ASP HBx 1.0 . 3.56 1389 1267 A 486 ASN H A 485 PRO HBy 1.0 . 4.05 1390 1267 A 486 ASN H A 485 PRO HBx 1.0 . 4.05 1391 1268 A 486 ASN H A 486 ASN HBx 1.0 . 2.94 1392 1268 A 486 ASN H A 486 ASN HBy 1.0 . 2.94 1393 1269 A 486 ASN H A 486 ASN HD2x 1.0 . 4.63 1394 1269 A 486 ASN H A 486 ASN HD2y 1.0 . 4.63 1395 1270 A 486 ASN HA A 486 ASN HD2x 1.0 . 3.63 1396 1270 A 486 ASN HA A 486 ASN HD2y 1.0 . 3.63 1397 1271 A 486 ASN HD2x A 486 ASN HBy 1.0 . 2.82 1398 1271 A 486 ASN HD2x A 486 ASN HBx 1.0 . 2.82 1399 1271 A 486 ASN HD2y A 486 ASN HBy 1.0 . 2.82 1400 1271 A 486 ASN HD2y A 486 ASN HBx 1.0 . 2.82 1401 1272 A 487 ASP H A 487 ASP HBx 1.0 . 3.04 1402 1272 A 487 ASP H A 487 ASP HBy 1.0 . 3.04 1403 1273 A 489 SER H A 489 SER HBy 1.0 . 3.20 1404 1273 A 489 SER H A 489 SER HBx 1.0 . 3.20 1405 1274 A 514 GLN HE2y A 490 ARG HA 1.0 . 4.40 1406 1274 A 490 ARG HA A 514 GLN HE2x 1.0 . 4.40 1407 1275 A 491 TYR H A 490 ARG HBy 1.0 . 4.33 1408 1275 A 491 TYR H A 490 ARG HBx 1.0 . 4.33 1409 1276 A 514 GLN HE2y A 490 ARG HBx 1.0 . 4.33 1410 1276 A 514 GLN HE2x A 490 ARG HBy 1.0 . 4.33 1411 1276 A 514 GLN HE2y A 490 ARG HBy 1.0 . 4.33 1412 1276 A 514 GLN HE2x A 490 ARG HBx 1.0 . 4.33 1413 1277 A 541 LYS HBy A 490 ARG HBy 1.0 . 4.39 1414 1277 A 541 LYS HBy A 490 ARG HBx 1.0 . 4.39 1415 1278 A 541 LYS HBx A 490 ARG HBy 1.0 . 4.41 1416 1278 A 541 LYS HBx A 490 ARG HBx 1.0 . 4.41 1417 1279 A 514 GLN HE2y A 491 TYR H 1.0 . 4.69 1418 1279 A 491 TYR H A 514 GLN HE2x 1.0 . 4.69 1419 1280 A 492 VAL H A 491 TYR HBx 1.0 . 3.11 1420 1280 A 492 VAL H A 491 TYR HBy 1.0 . 3.11 1421 1281 A 511 TRP HE3 A 491 TYR HBx 1.0 . 4.13 1422 1281 A 511 TRP HE3 A 491 TYR HBy 1.0 . 4.13 1423 1282 A 513 ALA HA A 491 TYR HBx 1.0 . 3.96 1424 1282 A 513 ALA HA A 491 TYR HBy 1.0 . 3.96 1425 1283 A 491 TYR HD% A 492 VAL HGy% 1.0 . 5.06 1426 1283 A 491 TYR HD% A 492 VAL HGx% 1.0 . 5.06 1427 1284 A 491 TYR HD% A 493 ASN HBx 1.0 . 4.00 1428 1284 A 491 TYR HD% A 493 ASN HBy 1.0 . 4.00 1429 1285 A 492 VAL H A 492 VAL HGy% 1.0 . 3.26 1430 1285 A 492 VAL H A 492 VAL HGx% 1.0 . 3.26 1431 1286 A 492 VAL HA A 492 VAL HGy% 1.0 . 3.03 1432 1286 A 492 VAL HA A 492 VAL HGx% 1.0 . 3.03 1433 1287 A 492 VAL HB A 512 VAL HGy% 1.0 . 3.49 1434 1287 A 492 VAL HB A 512 VAL HGx% 1.0 . 3.49 1435 1288 A 493 ASN H A 492 VAL HGy% 1.0 . 3.04 1436 1288 A 493 ASN H A 492 VAL HGx% 1.0 . 3.04 1437 1289 A 493 ASN HA A 492 VAL HGy% 1.0 . 4.20 1438 1289 A 493 ASN HA A 492 VAL HGx% 1.0 . 4.20 1439 1290 A 492 VAL HGx% A 493 ASN HBx 1.0 . 4.95 1440 1290 A 492 VAL HGy% A 493 ASN HBx 1.0 . 4.95 1441 1290 A 493 ASN HBy A 492 VAL HGy% 1.0 . 4.95 1442 1290 A 492 VAL HGx% A 493 ASN HBy 1.0 . 4.95 1443 1291 A 502 ILE HB A 492 VAL HGy% 1.0 . 5.20 1444 1291 A 502 ILE HB A 492 VAL HGx% 1.0 . 5.20 1445 1292 A 502 ILE HG1x A 492 VAL HGy% 1.0 . 5.21 1446 1292 A 502 ILE HG1x A 492 VAL HGx% 1.0 . 5.21 1447 1293 A 502 ILE HD1% A 492 VAL HGy% 1.0 . 3.42 1448 1293 A 502 ILE HD1% A 492 VAL HGx% 1.0 . 3.42 1449 1294 A 512 VAL H A 492 VAL HGy% 1.0 . 4.49 1450 1294 A 512 VAL H A 492 VAL HGx% 1.0 . 4.49 1451 1295 A 512 VAL HB A 492 VAL HGy% 1.0 . 5.44 1452 1295 A 512 VAL HB A 492 VAL HGx% 1.0 . 5.44 1453 1296 A 513 ALA HA A 492 VAL HGy% 1.0 . 4.52 1454 1296 A 513 ALA HA A 492 VAL HGx% 1.0 . 4.52 1455 1297 A 514 GLN H A 492 VAL HGy% 1.0 . 5.44 1456 1297 A 514 GLN H A 492 VAL HGx% 1.0 . 5.44 1457 1298 A 514 GLN HA A 492 VAL HGy% 1.0 . 5.41 1458 1298 A 514 GLN HA A 492 VAL HGx% 1.0 . 5.41 1459 1299 A 514 GLN HE2y A 492 VAL HGx% 1.0 . 5.22 1460 1299 A 514 GLN HE2x A 492 VAL HGx% 1.0 . 5.22 1461 1299 A 514 GLN HE2x A 492 VAL HGy% 1.0 . 5.22 1462 1299 A 514 GLN HE2y A 492 VAL HGy% 1.0 . 5.22 1463 1300 A 493 ASN H A 493 ASN HBx 1.0 . 3.40 1464 1300 A 493 ASN H A 493 ASN HBy 1.0 . 3.40 1465 1301 A 493 ASN H A 540 ILE HG1x 1.0 . 5.34 1466 1301 A 493 ASN H A 540 ILE HG1y 1.0 . 5.34 1467 1302 A 494 SER H A 493 ASN HD2x 1.0 . 3.30 1468 1302 A 493 ASN HD2y A 494 SER H 1.0 . 3.30 1469 1303 A 511 TRP HA A 493 ASN HD2x 1.0 . 4.44 1470 1303 A 511 TRP HA A 493 ASN HD2y 1.0 . 4.44 1471 1304 A 496 ASN H A 495 TRP HBy 1.0 . 3.35 1472 1304 A 496 ASN H A 495 TRP HBx 1.0 . 3.35 1473 1305 A 497 LEU H A 495 TRP HBy 1.0 . 4.74 1474 1305 A 497 LEU H A 495 TRP HBx 1.0 . 4.74 1475 1306 A 497 LEU HDx% A 531 SER HBx 1.0 . 5.23 1476 1306 A 497 LEU HDx% A 531 SER HBy 1.0 . 5.23 1477 1307 A 498 ASP H A 530 LYS HDx 1.0 . 4.10 1478 1307 A 498 ASP H A 530 LYS HDy 1.0 . 4.10 1479 1308 A 498 ASP HBy A 530 LYS HEx 1.0 . 4.23 1480 1308 A 498 ASP HBy A 530 LYS HEy 1.0 . 4.23 1481 1309 A 498 ASP HBx A 499 LEU HBy 1.0 . 4.03 1482 1309 A 498 ASP HBx A 499 LEU HBx 1.0 . 4.03 1483 1310 A 499 LEU H A 499 LEU HBy 1.0 . 3.29 1484 1310 A 499 LEU H A 499 LEU HBx 1.0 . 3.29 1485 1311 A 499 LEU H A 499 LEU HDx% 1.0 . 4.10 1486 1311 A 499 LEU H A 499 LEU HDy% 1.0 . 4.10 1487 1312 A 499 LEU H A 530 LYS HDx 1.0 . 5.21 1488 1312 A 499 LEU H A 530 LYS HDy 1.0 . 5.21 1489 1313 A 499 LEU HA A 499 LEU HDx% 1.0 . 3.05 1490 1313 A 499 LEU HA A 499 LEU HDy% 1.0 . 3.05 1491 1314 A 499 LEU HBx A 499 LEU HDx% 1.0 . 2.66 1492 1314 A 499 LEU HDy% A 499 LEU HBy 1.0 . 2.66 1493 1314 A 499 LEU HBx A 499 LEU HDy% 1.0 . 2.66 1494 1314 A 499 LEU HBy A 499 LEU HDx% 1.0 . 2.66 1495 1315 A 500 LEU H A 499 LEU HBy 1.0 . 3.83 1496 1315 A 500 LEU H A 499 LEU HBx 1.0 . 3.83 1497 1316 A 530 LYS H A 499 LEU HBy 1.0 . 5.18 1498 1316 A 530 LYS H A 499 LEU HBx 1.0 . 5.18 1499 1317 A 530 LYS HBx A 499 LEU HBy 1.0 . 3.43 1500 1317 A 530 LYS HBx A 499 LEU HBx 1.0 . 3.43 1501 1318 A 499 LEU HBx A 530 LYS HDx 1.0 . 4.16 1502 1318 A 530 LYS HDy A 499 LEU HBy 1.0 . 4.16 1503 1318 A 530 LYS HDy A 499 LEU HBx 1.0 . 4.16 1504 1318 A 499 LEU HBy A 530 LYS HDx 1.0 . 4.16 1505 1319 A 500 LEU H A 499 LEU HDx% 1.0 . 3.27 1506 1319 A 500 LEU H A 499 LEU HDy% 1.0 . 3.27 1507 1320 A 500 LEU HBy A 499 LEU HDx% 1.0 . 5.44 1508 1320 A 500 LEU HBy A 499 LEU HDy% 1.0 . 5.44 1509 1321 A 501 GLU H A 499 LEU HDx% 1.0 . 4.27 1510 1321 A 501 GLU H A 499 LEU HDy% 1.0 . 4.27 1511 1322 A 501 GLU HBy A 499 LEU HDx% 1.0 . 3.65 1512 1322 A 501 GLU HBy A 499 LEU HDy% 1.0 . 3.65 1513 1323 A 501 GLU HBx A 499 LEU HDx% 1.0 . 4.86 1514 1323 A 501 GLU HBx A 499 LEU HDy% 1.0 . 4.86 1515 1324 A 506 ASP HA A 499 LEU HDx% 1.0 . 4.39 1516 1324 A 506 ASP HA A 499 LEU HDy% 1.0 . 4.39 1517 1325 A 507 TYR H A 499 LEU HDx% 1.0 . 4.61 1518 1325 A 507 TYR H A 499 LEU HDy% 1.0 . 4.61 1519 1326 A 508 THR H A 499 LEU HDx% 1.0 . 4.68 1520 1326 A 508 THR H A 499 LEU HDy% 1.0 . 4.68 1521 1327 A 530 LYS HBx A 499 LEU HDx% 1.0 . 4.61 1522 1327 A 530 LYS HBx A 499 LEU HDy% 1.0 . 4.61 1523 1328 A 499 LEU HDy% A 530 LYS HDx 1.0 . 4.07 1524 1328 A 530 LYS HDy A 499 LEU HDx% 1.0 . 4.07 1525 1328 A 530 LYS HDy A 499 LEU HDy% 1.0 . 4.07 1526 1328 A 499 LEU HDx% A 530 LYS HDx 1.0 . 4.07 1527 1329 A 503 ASN H A 504 GLY HAy 1.0 . 4.62 1528 1329 A 503 ASN H A 504 GLY HAx 1.0 . 4.62 1529 1330 A 505 THR HA A 506 ASP HBx 1.0 . 4.62 1530 1330 A 505 THR HA A 506 ASP HBy 1.0 . 4.62 1531 1331 A 505 THR HG2% A 506 ASP HBx 1.0 . 5.20 1532 1331 A 505 THR HG2% A 506 ASP HBy 1.0 . 5.20 1533 1332 A 506 ASP H A 506 ASP HBx 1.0 . 2.83 1534 1332 A 506 ASP H A 506 ASP HBy 1.0 . 2.83 1535 1333 A 508 THR H A 506 ASP HBx 1.0 . 4.39 1536 1333 A 508 THR H A 506 ASP HBy 1.0 . 4.39 1537 1334 A 507 TYR HBy A 512 VAL HGy% 1.0 . 3.94 1538 1334 A 507 TYR HBy A 512 VAL HGx% 1.0 . 3.94 1539 1335 A 507 TYR HBx A 512 VAL HGy% 1.0 . 3.87 1540 1335 A 507 TYR HBx A 512 VAL HGx% 1.0 . 3.87 1541 1336 A 507 TYR HD% A 512 VAL HGy% 1.0 . 3.81 1542 1336 A 507 TYR HD% A 512 VAL HGx% 1.0 . 3.81 1543 1337 A 510 VAL HGx% A 512 VAL HGy% 1.0 . 4.89 1544 1337 A 510 VAL HGx% A 512 VAL HGx% 1.0 . 4.89 1545 1338 A 511 TRP H A 511 TRP HBx 1.0 . 3.01 1546 1338 A 511 TRP H A 511 TRP HBy 1.0 . 3.01 1547 1339 A 511 TRP HA A 512 VAL HGy% 1.0 . 4.37 1548 1339 A 511 TRP HA A 512 VAL HGx% 1.0 . 4.37 1549 1340 A 512 VAL H A 511 TRP HBx 1.0 . 3.85 1550 1340 A 512 VAL H A 511 TRP HBy 1.0 . 3.85 1551 1341 A 512 VAL H A 512 VAL HGy% 1.0 . 3.12 1552 1341 A 512 VAL H A 512 VAL HGx% 1.0 . 3.12 1553 1342 A 512 VAL HA A 512 VAL HGy% 1.0 . 3.02 1554 1342 A 512 VAL HA A 512 VAL HGx% 1.0 . 3.02 1555 1343 A 512 VAL HA A 516 GLN HBy 1.0 . 4.50 1556 1343 A 512 VAL HA A 516 GLN HBx 1.0 . 4.50 1557 1344 A 513 ALA H A 512 VAL HGy% 1.0 . 2.80 1558 1344 A 513 ALA H A 512 VAL HGx% 1.0 . 2.80 1559 1345 A 514 GLN HA A 512 VAL HGy% 1.0 . 4.82 1560 1345 A 514 GLN HA A 512 VAL HGx% 1.0 . 4.82 1561 1346 A 516 GLN H A 512 VAL HGy% 1.0 . 4.24 1562 1346 A 516 GLN H A 512 VAL HGx% 1.0 . 4.24 1563 1347 A 512 VAL HGy% A 516 GLN HBy 1.0 . 3.12 1564 1347 A 512 VAL HGx% A 516 GLN HBy 1.0 . 3.12 1565 1347 A 516 GLN HBx A 512 VAL HGy% 1.0 . 3.12 1566 1347 A 512 VAL HGx% A 516 GLN HBx 1.0 . 3.12 1567 1348 A 516 GLN HE2x A 512 VAL HGy% 1.0 . 4.37 1568 1348 A 516 GLN HE2y A 512 VAL HGx% 1.0 . 4.37 1569 1348 A 516 GLN HE2y A 512 VAL HGy% 1.0 . 4.37 1570 1348 A 516 GLN HE2x A 512 VAL HGx% 1.0 . 4.37 1571 1349 A 517 ILE HG1x A 512 VAL HGy% 1.0 . 3.40 1572 1349 A 517 ILE HG1x A 512 VAL HGx% 1.0 . 3.40 1573 1350 A 517 ILE HD1% A 512 VAL HGy% 1.0 . 3.37 1574 1350 A 517 ILE HD1% A 512 VAL HGx% 1.0 . 3.37 1575 1351 A 513 ALA H A 516 GLN HE2y 1.0 . 4.62 1576 1351 A 513 ALA H A 516 GLN HE2x 1.0 . 4.62 1577 1352 A 513 ALA HB% A 516 GLN HE2y 1.0 . 4.82 1578 1352 A 513 ALA HB% A 516 GLN HE2x 1.0 . 4.82 1579 1353 A 514 GLN H A 514 GLN HGx 1.0 . 3.65 1580 1353 A 514 GLN H A 514 GLN HGy 1.0 . 3.65 1581 1354 A 514 GLN HA A 514 GLN HGx 1.0 . 3.41 1582 1354 A 514 GLN HA A 514 GLN HGy 1.0 . 3.41 1583 1355 A 514 GLN HE2y A 514 GLN HBx 1.0 . 4.69 1584 1355 A 514 GLN HE2x A 514 GLN HBy 1.0 . 4.69 1585 1355 A 514 GLN HE2y A 514 GLN HBy 1.0 . 4.69 1586 1355 A 514 GLN HE2x A 514 GLN HBx 1.0 . 4.69 1587 1356 A 514 GLN HE2y A 514 GLN HGy 1.0 . 3.15 1588 1356 A 514 GLN HE2y A 514 GLN HGx 1.0 . 3.15 1589 1356 A 514 GLN HE2x A 514 GLN HGy 1.0 . 3.15 1590 1356 A 514 GLN HE2x A 514 GLN HGx 1.0 . 3.15 1591 1357 A 516 GLN H A 514 GLN HGx 1.0 . 5.34 1592 1357 A 516 GLN H A 514 GLN HGy 1.0 . 5.34 1593 1358 A 514 GLN HE2y A 540 ILE HA 1.0 . 4.91 1594 1358 A 514 GLN HE2x A 540 ILE HA 1.0 . 4.91 1595 1359 A 540 ILE HG2% A 514 GLN HE2y 1.0 . 3.10 1596 1359 A 540 ILE HG2% A 514 GLN HE2x 1.0 . 3.10 1597 1360 A 514 GLN HE2y A 541 LYS HBx 1.0 . 5.26 1598 1360 A 541 LYS HBx A 514 GLN HE2x 1.0 . 5.26 1599 1361 A 515 HIS H A 515 HIS HBx 1.0 . 3.23 1600 1361 A 515 HIS H A 515 HIS HBy 1.0 . 3.23 1601 1362 A 516 GLN H A 516 GLN HBy 1.0 . 2.97 1602 1362 A 516 GLN H A 516 GLN HBx 1.0 . 2.97 1603 1363 A 516 GLN HE2y A 516 GLN HA 1.0 . 5.02 1604 1363 A 516 GLN HE2x A 516 GLN HA 1.0 . 5.02 1605 1364 A 516 GLN HE2y A 516 GLN HBx 1.0 . 3.12 1606 1364 A 516 GLN HE2x A 516 GLN HBy 1.0 . 3.12 1607 1364 A 516 GLN HE2x A 516 GLN HBx 1.0 . 3.12 1608 1364 A 516 GLN HE2y A 516 GLN HBy 1.0 . 3.12 1609 1365 A 517 ILE HG1x A 516 GLN HBy 1.0 . 4.29 1610 1365 A 517 ILE HG1x A 516 GLN HBx 1.0 . 4.29 1611 1366 A 517 ILE HG2% A 518 PRO HBx 1.0 . 4.20 1612 1366 A 517 ILE HG2% A 518 PRO HBy 1.0 . 4.20 1613 1367 A 519 ALA HB% A 523 GLY HAy 1.0 . 3.32 1614 1367 A 519 ALA HB% A 523 GLY HAx 1.0 . 3.32 1615 1368 A 520 ALA H A 523 GLY HAy 1.0 . 4.94 1616 1368 A 520 ALA H A 523 GLY HAx 1.0 . 4.94 1617 1369 A 520 ALA HB% A 523 GLY HAy 1.0 . 4.92 1618 1369 A 520 ALA HB% A 523 GLY HAx 1.0 . 4.92 1619 1370 A 521 SER H A 522 ASP HBx 1.0 . 4.88 1620 1370 A 521 SER H A 522 ASP HBy 1.0 . 4.88 1621 1371 A 522 ASP H A 522 ASP HBx 1.0 . 3.22 1622 1371 A 522 ASP H A 522 ASP HBy 1.0 . 3.22 1623 1372 A 524 TYR HA A 523 GLY HAy 1.0 . 4.88 1624 1372 A 524 TYR HA A 523 GLY HAx 1.0 . 4.88 1625 1373 A 527 ILE HD1% A 540 ILE HG1x 1.0 . 4.99 1626 1373 A 527 ILE HD1% A 540 ILE HG1y 1.0 . 4.99 1627 1374 A 530 LYS HBy A 530 LYS HDx 1.0 . 3.54 1628 1374 A 530 LYS HBy A 530 LYS HDy 1.0 . 3.54 1629 1375 A 530 LYS HBy A 530 LYS HEx 1.0 . 4.58 1630 1375 A 530 LYS HBy A 530 LYS HEy 1.0 . 4.58 1631 1376 A 530 LYS HBx A 530 LYS HDx 1.0 . 3.52 1632 1376 A 530 LYS HBx A 530 LYS HDy 1.0 . 3.52 1633 1377 A 530 LYS HGx A 530 LYS HEx 1.0 . 3.73 1634 1377 A 530 LYS HGx A 530 LYS HEy 1.0 . 3.73 1635 1378 A 533 VAL HGx% A 532 GLY HAy 1.0 . 4.53 1636 1378 A 533 VAL HGx% A 532 GLY HAx 1.0 . 4.53 1637 1379 A 535 TRP H A 535 TRP HBy 1.0 . 3.34 1638 1379 A 535 TRP H A 535 TRP HBx 1.0 . 3.34 1639 1380 A 536 GLY HAx A 535 TRP HBy 1.0 . 4.90 1640 1380 A 536 GLY HAx A 535 TRP HBx 1.0 . 4.90 1641 1381 A 537 HIS H A 537 HIS HBx 1.0 . 3.18 1642 1381 A 537 HIS H A 537 HIS HBy 1.0 . 3.18 1643 1382 A 538 VAL H A 537 HIS HBx 1.0 . 4.05 1644 1382 A 538 VAL H A 537 HIS HBy 1.0 . 4.05 1645 1383 A 538 VAL HGx% A 540 ILE HG1x 1.0 . 3.56 1646 1383 A 538 VAL HGx% A 540 ILE HG1y 1.0 . 3.56 1647 1384 A 538 VAL HGy% A 539 GLU HBx 1.0 . 5.19 1648 1384 A 538 VAL HGy% A 539 GLU HBy 1.0 . 5.19 1649 1385 A 538 VAL HGy% A 540 ILE HG1x 1.0 . 3.61 1650 1385 A 538 VAL HGy% A 540 ILE HG1y 1.0 . 3.61 1651 1386 A 539 GLU H A 540 ILE HG1x 1.0 . 4.56 1652 1386 A 539 GLU H A 540 ILE HG1y 1.0 . 4.56 1653 1387 A 540 ILE H A 539 GLU HBx 1.0 . 3.46 1654 1387 A 540 ILE H A 539 GLU HBy 1.0 . 3.46 1655 1388 A 539 GLU HBy A 540 ILE HG1x 1.0 . 5.18 1656 1388 A 539 GLU HBx A 540 ILE HG1x 1.0 . 5.18 1657 1388 A 540 ILE HG1y A 539 GLU HBx 1.0 . 5.18 1658 1388 A 540 ILE HG1y A 539 GLU HBy 1.0 . 5.18 1659 1389 A 540 ILE H A 540 ILE HG1x 1.0 . 3.74 1660 1389 A 540 ILE H A 540 ILE HG1y 1.0 . 3.74 1661 1390 A 540 ILE HA A 540 ILE HG1x 1.0 . 3.37 1662 1390 A 540 ILE HA A 540 ILE HG1y 1.0 . 3.37 1663 1391 A 541 LYS H A 541 LYS HDx 1.0 . 3.88 1664 1391 A 541 LYS H A 541 LYS HDy 1.0 . 3.88 1665 1392 A 541 LYS H A 541 LYS HEx 1.0 . 5.34 1666 1392 A 541 LYS H A 541 LYS HEy 1.0 . 5.34 1667 1393 A 541 LYS HA A 541 LYS HDx 1.0 . 3.15 1668 1393 A 541 LYS HA A 541 LYS HDy 1.0 . 3.15 1669 1394 A 541 LYS HA A 541 LYS HEx 1.0 . 4.43 1670 1394 A 541 LYS HA A 541 LYS HEy 1.0 . 4.43 1671 1395 A 541 LYS HBx A 541 LYS HDx 1.0 . 3.68 1672 1395 A 541 LYS HBx A 541 LYS HDy 1.0 . 3.68 1673 1396 A 541 LYS HBx A 541 LYS HEx 1.0 . 3.96 1674 1396 A 541 LYS HBx A 541 LYS HEy 1.0 . 3.96 stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 74.94 . aliased . . 2 ppm . . 13.36 . aliased . . 3 ppm . . 13.36 . aliased . . stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 32 . aliased . . 2 ppm . . 13.36 . aliased . . 3 ppm . . 13.36 . aliased . . stop_ save_