data_nef_c30126_5knw save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5KNW 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 437 MET start . . 2 A 438 HIS middle . . 3 A 439 HIS middle . . 4 A 440 HIS middle . . 5 A 441 HIS middle . . 6 A 442 HIS middle . . 7 A 443 HIS middle . . 8 A 444 SER middle . . 9 A 445 ASN middle . . 10 A 446 ALA middle . . 11 A 447 THR middle . . 12 A 448 GLY middle . false 13 A 449 PRO middle . false 14 A 450 GLN middle . . 15 A 451 PHE middle . . 16 A 452 VAL middle . . 17 A 453 SER middle . . 18 A 454 GLY middle . false 19 A 455 VAL middle . . 20 A 456 ILE middle . . 21 A 457 VAL middle . . 22 A 458 LYS middle . . 23 A 459 ILE middle . . 24 A 460 ILE middle . . 25 A 461 SER middle . . 26 A 462 THR middle . . 27 A 463 GLU middle . . 28 A 464 PRO middle . false 29 A 465 LEU middle . . 30 A 466 PRO middle . false 31 A 467 GLY middle . false 32 A 468 ARG middle . . 33 A 469 LYS middle . . 34 A 470 GLN middle . . 35 A 471 VAL middle . . 36 A 472 ARG middle . . 37 A 473 ASP middle . . 38 A 474 THR middle . . 39 A 475 LEU middle . . 40 A 476 ALA middle . . 41 A 477 ALA middle . . 42 A 478 ILE middle . . 43 A 479 SER middle . . 44 A 480 GLU middle . . 45 A 481 VAL middle . . 46 A 482 LEU middle . . 47 A 483 TYR middle . . 48 A 484 VAL middle . . 49 A 485 ASP middle . . 50 A 486 LEU middle . . 51 A 487 LEU middle . . 52 A 488 GLU middle . . 53 A 489 GLY middle . false 54 A 490 ASP middle . . 55 A 491 THR middle . . 56 A 492 GLU middle . . 57 A 493 CYS middle . . 58 A 494 HIS middle . . 59 A 495 ALA middle . . 60 A 496 ARG middle . . 61 A 497 PHE middle . . 62 A 498 LYS middle . . 63 A 499 THR middle . . 64 A 500 PRO middle . false 65 A 501 GLU middle . . 66 A 502 ASP middle . . 67 A 503 ALA middle . . 68 A 504 GLN middle . . 69 A 505 ALA middle . . 70 A 506 VAL middle . . 71 A 507 ILE middle . . 72 A 508 ASN middle . . 73 A 509 ALA middle . . 74 A 510 TYR middle . . 75 A 511 THR middle . . 76 A 512 GLU middle . . 77 A 513 ILE middle . . 78 A 514 ASN middle . . 79 A 515 LYS middle . . 80 A 516 LYS middle . . 81 A 517 HIS middle . . 82 A 518 CYS middle . . 83 A 519 TRP middle . . 84 A 520 LYS middle . . 85 A 521 LEU middle . . 86 A 522 GLU middle . . 87 A 523 ILE middle . . 88 A 524 LEU middle . . 89 A 525 SER middle . . 90 A 526 GLY middle . false 91 A 527 ASP middle . . 92 A 528 HIS middle . . 93 A 529 GLU middle . . 94 A 530 GLN middle . . 95 A 531 ARG middle . . 96 A 532 TYR middle . . 97 A 533 TRP middle . . 98 A 534 GLN middle . . 99 A 535 LYS middle . . 100 A 536 ILE middle . . 101 A 537 LEU middle . . 102 A 538 VAL middle . . 103 A 539 ASP middle . . 104 A 540 ARG middle . . 105 A 541 GLN middle . . 106 A 542 ALA middle . . 107 A 543 LYS middle . . 108 A 544 LEU middle . . 109 A 545 ASN middle . . 110 A 546 GLN middle . . 111 A 547 PRO middle . false 112 A 548 ARG middle . . 113 A 549 GLU middle . . 114 A 550 LYS middle . . 115 A 551 LYS middle . . 116 A 552 ARG middle . . 117 A 553 GLY middle . false 118 A 554 THR middle . . 119 A 555 GLU middle . . 120 A 556 LYS middle . . 121 A 557 LEU middle . . 122 A 558 ILE middle . . 123 A 559 THR middle . . 124 A 560 LYS middle . . 125 A 561 ALA 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 443 HIS HA H 1 4.641 0.052 A 443 HIS HBx H 1 3.110 0.074 A 443 HIS HBy H 1 3.110 0.074 A 443 HIS HD2 H 1 6.995 0.022 A 443 HIS HE1 H 1 7.964 0.011 A 443 HIS CA C 13 56.160 0.070 A 443 HIS CB C 13 30.423 0.088 A 443 HIS CD2 C 13 119.919 0.067 A 443 HIS CE1 C 13 138.152 0.032 A 444 SER H H 1 8.507 0.003 A 444 SER HA H 1 4.451 0.029 A 444 SER HBy H 1 3.930 0.020 A 444 SER HBx H 1 3.857 0.008 A 444 SER CA C 13 58.507 0.163 A 444 SER CB C 13 64.161 0.159 A 444 SER N N 15 117.735 0.069 A 445 ASN H H 1 8.680 0.001 A 445 ASN HA H 1 4.756 0.033 A 445 ASN HBy H 1 2.859 0.032 A 445 ASN HBx H 1 2.793 0.012 A 445 ASN C C 13 174.886 0.000 A 445 ASN CA C 13 53.549 0.132 A 445 ASN CB C 13 39.129 0.090 A 445 ASN N N 15 121.268 0.119 A 446 ALA H H 1 8.348 0.015 A 446 ALA HA H 1 4.381 0.016 A 446 ALA HB% H 1 1.426 0.015 A 446 ALA C C 13 177.695 0.001 A 446 ALA CA C 13 53.137 0.039 A 446 ALA CB C 13 19.603 0.087 A 446 ALA N N 15 124.354 0.103 A 447 THR H H 1 8.122 0.012 A 447 THR HA H 1 4.409 0.028 A 447 THR HB H 1 4.300 0.017 A 447 THR HG2% H 1 1.248 0.046 A 447 THR C C 13 174.653 0.008 A 447 THR CA C 13 61.929 0.337 A 447 THR CB C 13 70.140 0.187 A 447 THR N N 15 112.269 0.166 A 448 GLY H H 1 8.223 0.009 A 448 GLY HAx H 1 4.158 0.031 A 448 GLY HAy H 1 4.158 0.031 A 448 GLY C C 13 171.455 0.000 A 448 GLY CA C 13 44.947 0.042 A 448 GLY N N 15 110.879 0.073 A 449 PRO HA H 1 4.475 0.017 A 449 PRO HBy H 1 2.268 0.023 A 449 PRO HBx H 1 1.958 0.023 A 449 PRO HDx H 1 3.649 0.021 A 449 PRO HDy H 1 3.649 0.021 A 449 PRO HGy H 1 1.992 0.009 A 449 PRO HGx H 1 1.635 0.025 A 449 PRO C C 13 176.312 0.000 A 449 PRO CA C 13 63.515 0.189 A 449 PRO CB C 13 32.568 0.113 A 449 PRO CD C 13 50.108 0.128 A 449 PRO CG C 13 27.522 0.140 A 450 GLN H H 1 8.419 0.005 A 450 GLN HA H 1 4.310 0.020 A 450 GLN HBy H 1 2.004 0.007 A 450 GLN HBx H 1 1.939 0.000 A 450 GLN HE2y H 1 7.479 0.001 A 450 GLN HE2x H 1 6.878 0.003 A 450 GLN HGx H 1 2.341 0.022 A 450 GLN HGy H 1 2.341 0.022 A 450 GLN C C 13 174.517 0.002 A 450 GLN CA C 13 55.749 0.288 A 450 GLN CB C 13 30.620 0.259 A 450 GLN CG C 13 33.955 0.168 A 450 GLN N N 15 120.311 0.075 A 450 GLN NE2 N 15 112.997 0.102 A 451 PHE H H 1 7.845 0.014 A 451 PHE HA H 1 3.061 0.039 A 451 PHE HBx H 1 2.170 0.021 A 451 PHE HBy H 1 2.170 0.021 A 451 PHE HDx H 1 7.071 0.014 A 451 PHE HDy H 1 7.071 0.014 A 451 PHE HEx H 1 7.006 0.036 A 451 PHE HEy H 1 7.006 0.036 A 451 PHE HZ H 1 6.193 0.012 A 451 PHE C C 13 173.914 0.053 A 451 PHE CA C 13 58.364 0.115 A 451 PHE CB C 13 39.387 0.103 A 451 PHE CDx C 13 129.195 0.043 A 451 PHE CZ C 13 131.751 0.130 A 451 PHE N N 15 120.318 0.076 A 452 VAL H H 1 6.404 0.049 A 452 VAL HA H 1 3.748 0.013 A 452 VAL HB H 1 1.911 0.013 A 452 VAL HG1% H 1 0.977 0.012 A 452 VAL HG2% H 1 0.949 0.016 A 452 VAL C C 13 173.919 0.007 A 452 VAL CA C 13 61.306 0.079 A 452 VAL CB C 13 34.324 0.076 A 452 VAL CGy C 13 22.009 0.092 A 452 VAL CGx C 13 21.416 0.029 A 452 VAL N N 15 125.686 0.107 A 453 SER H H 1 8.341 0.009 A 453 SER HA H 1 4.350 0.021 A 453 SER HBy H 1 3.975 0.023 A 453 SER HBx H 1 3.864 0.026 A 453 SER C C 13 176.136 0.000 A 453 SER CA C 13 59.082 0.195 A 453 SER CB C 13 64.218 0.142 A 453 SER N N 15 121.482 0.074 A 454 GLY H H 1 9.638 0.009 A 454 GLY HAy H 1 4.159 0.029 A 454 GLY HAx H 1 4.067 0.015 A 454 GLY C C 13 175.314 0.021 A 454 GLY CA C 13 47.211 0.138 A 454 GLY N N 15 113.175 0.055 A 455 VAL H H 1 7.787 0.007 A 455 VAL HA H 1 4.709 0.026 A 455 VAL HB H 1 2.957 0.015 A 455 VAL HG1% H 1 1.257 0.016 A 455 VAL HG2% H 1 0.592 0.015 A 455 VAL C C 13 174.723 0.122 A 455 VAL CA C 13 61.311 0.079 A 455 VAL CB C 13 32.658 0.064 A 455 VAL CGx C 13 19.010 0.005 A 455 VAL CGy C 13 21.377 0.043 A 455 VAL N N 15 106.480 0.131 A 456 ILE H H 1 9.148 0.009 A 456 ILE HA H 1 5.218 0.013 A 456 ILE HB H 1 2.298 0.024 A 456 ILE HD1% H 1 0.609 0.048 A 456 ILE HG1y H 1 2.222 0.016 A 456 ILE HG1x H 1 1.281 0.016 A 456 ILE HG2% H 1 0.423 0.032 A 456 ILE C C 13 175.380 0.011 A 456 ILE CA C 13 58.793 0.085 A 456 ILE CB C 13 36.860 0.074 A 456 ILE CD1 C 13 10.811 0.118 A 456 ILE CG1 C 13 26.381 0.024 A 456 ILE CG2 C 13 18.686 0.078 A 456 ILE N N 15 122.551 0.103 A 457 VAL H H 1 9.241 0.007 A 457 VAL HA H 1 4.795 0.017 A 457 VAL HB H 1 2.106 0.016 A 457 VAL HG1% H 1 0.884 0.008 A 457 VAL HG2% H 1 0.887 0.060 A 457 VAL C C 13 174.485 0.028 A 457 VAL CA C 13 60.732 0.099 A 457 VAL CB C 13 35.769 0.125 A 457 VAL CGy C 13 23.350 0.225 A 457 VAL CGx C 13 21.631 0.175 A 457 VAL N N 15 127.077 0.058 A 458 LYS H H 1 9.435 0.012 A 458 LYS HA H 1 4.620 0.013 A 458 LYS HBy H 1 1.701 0.017 A 458 LYS HBx H 1 1.397 0.024 A 458 LYS HDx H 1 1.562 0.008 A 458 LYS HDy H 1 1.562 0.008 A 458 LYS HEx H 1 2.735 0.079 A 458 LYS HEy H 1 2.735 0.079 A 458 LYS HGx H 1 0.614 0.013 A 458 LYS HGy H 1 0.895 0.012 A 458 LYS C C 13 174.454 0.022 A 458 LYS CA C 13 55.141 0.230 A 458 LYS CB C 13 35.632 0.100 A 458 LYS CD C 13 29.950 0.128 A 458 LYS CE C 13 42.279 0.232 A 458 LYS CG C 13 25.452 0.128 A 458 LYS N N 15 129.470 0.070 A 459 ILE H H 1 8.576 0.008 A 459 ILE HA H 1 4.596 0.019 A 459 ILE HB H 1 1.445 0.016 A 459 ILE HD1% H 1 0.383 0.014 A 459 ILE HG1y H 1 1.323 0.021 A 459 ILE HG1x H 1 0.638 0.013 A 459 ILE HG2% H 1 -0.148 0.016 A 459 ILE C C 13 174.276 0.027 A 459 ILE CA C 13 60.958 0.191 A 459 ILE CB C 13 39.834 0.072 A 459 ILE CD1 C 13 14.983 0.083 A 459 ILE CG1 C 13 28.279 0.111 A 459 ILE CG2 C 13 17.234 0.065 A 459 ILE N N 15 128.400 0.115 A 460 ILE H H 1 8.694 0.014 A 460 ILE HA H 1 4.688 0.018 A 460 ILE HB H 1 1.663 0.009 A 460 ILE HD1% H 1 0.815 0.029 A 460 ILE HG1y H 1 1.375 0.005 A 460 ILE HG1x H 1 1.000 0.000 A 460 ILE HG2% H 1 0.936 0.012 A 460 ILE C C 13 175.163 0.005 A 460 ILE CA C 13 60.910 0.132 A 460 ILE CB C 13 42.093 0.190 A 460 ILE CD1 C 13 14.689 0.276 A 460 ILE CG1 C 13 28.050 0.156 A 460 ILE CG2 C 13 18.441 0.094 A 460 ILE N N 15 124.085 0.101 A 461 SER H H 1 9.037 0.008 A 461 SER HA H 1 5.462 0.018 A 461 SER HBy H 1 4.033 0.021 A 461 SER HBx H 1 3.615 0.017 A 461 SER C C 13 174.303 0.009 A 461 SER CA C 13 55.275 0.176 A 461 SER CB C 13 65.013 0.448 A 461 SER N N 15 122.187 0.074 A 462 THR H H 1 8.230 0.015 A 462 THR HA H 1 4.383 0.018 A 462 THR HB H 1 4.834 0.000 A 462 THR HG2% H 1 1.403 0.013 A 462 THR C C 13 174.600 0.005 A 462 THR CA C 13 63.773 0.186 A 462 THR CB C 13 69.208 0.065 A 462 THR CG2 C 13 22.925 0.051 A 462 THR N N 15 115.333 0.080 A 463 GLU H H 1 8.138 0.005 A 463 GLU HA H 1 4.864 0.024 A 463 GLU HBy H 1 2.180 0.023 A 463 GLU HBx H 1 1.909 0.008 A 463 GLU HGx H 1 2.319 0.009 A 463 GLU HGy H 1 2.319 0.009 A 463 GLU C C 13 176.492 0.000 A 463 GLU CA C 13 53.894 0.106 A 463 GLU CB C 13 30.819 0.044 A 463 GLU CG C 13 36.129 0.024 A 463 GLU N N 15 120.722 0.078 A 464 PRO HA H 1 3.884 0.019 A 464 PRO HBy H 1 2.176 0.009 A 464 PRO HBx H 1 1.756 0.008 A 464 PRO HDx H 1 3.657 0.023 A 464 PRO HDy H 1 3.876 0.012 A 464 PRO HGx H 1 2.155 0.008 A 464 PRO HGy H 1 2.155 0.008 A 464 PRO C C 13 177.152 0.000 A 464 PRO CA C 13 64.335 0.153 A 464 PRO CB C 13 31.789 0.040 A 464 PRO CD C 13 50.568 0.073 A 464 PRO CG C 13 28.589 0.217 A 465 LEU H H 1 8.343 0.021 A 465 LEU HA H 1 4.428 0.015 A 465 LEU HBy H 1 1.682 0.021 A 465 LEU HBx H 1 1.089 0.053 A 465 LEU HD1% H 1 0.368 0.015 A 465 LEU HD2% H 1 0.388 0.025 A 465 LEU HG H 1 1.512 0.014 A 465 LEU C C 13 176.079 0.000 A 465 LEU CA C 13 54.109 0.046 A 465 LEU CB C 13 41.688 0.036 A 465 LEU CDy C 13 26.954 0.127 A 465 LEU CDx C 13 24.303 0.116 A 465 LEU CG C 13 28.785 0.034 A 465 LEU N N 15 125.860 0.086 A 466 PRO HA H 1 4.632 0.015 A 466 PRO HBy H 1 2.396 0.012 A 466 PRO HBx H 1 2.118 0.009 A 466 PRO HDx H 1 3.452 0.049 A 466 PRO HDy H 1 3.452 0.049 A 466 PRO HGy H 1 2.327 0.030 A 466 PRO HGx H 1 1.955 0.013 A 466 PRO C C 13 174.491 0.000 A 466 PRO CA C 13 63.811 0.036 A 466 PRO CB C 13 31.742 0.023 A 466 PRO CD C 13 50.223 0.268 A 466 PRO CG C 13 27.758 0.052 A 467 GLY H H 1 7.029 0.009 A 467 GLY HAy H 1 4.338 0.015 A 467 GLY HAx H 1 3.964 0.019 A 467 GLY C C 13 173.360 0.029 A 467 GLY CA C 13 45.183 0.108 A 467 GLY N N 15 101.755 0.063 A 468 ARG H H 1 8.868 0.010 A 468 ARG HA H 1 3.632 0.017 A 468 ARG HBy H 1 1.897 0.010 A 468 ARG HBx H 1 1.848 0.003 A 468 ARG HDx H 1 3.419 0.033 A 468 ARG HDy H 1 3.419 0.033 A 468 ARG HGx H 1 1.613 0.010 A 468 ARG HGy H 1 1.613 0.010 A 468 ARG C C 13 177.622 0.021 A 468 ARG CA C 13 61.131 0.191 A 468 ARG CB C 13 30.913 0.086 A 468 ARG CD C 13 43.863 0.025 A 468 ARG CG C 13 28.090 0.008 A 468 ARG N N 15 121.289 0.064 A 469 LYS H H 1 8.620 0.004 A 469 LYS HA H 1 3.962 0.018 A 469 LYS HBy H 1 1.883 0.000 A 469 LYS HBx H 1 1.809 0.006 A 469 LYS HDx H 1 1.762 0.000 A 469 LYS HDy H 1 1.762 0.000 A 469 LYS HEx H 1 3.058 0.019 A 469 LYS HEy H 1 3.058 0.019 A 469 LYS HGx H 1 1.427 0.011 A 469 LYS HGy H 1 1.427 0.011 A 469 LYS C C 13 177.344 0.016 A 469 LYS CA C 13 59.845 0.091 A 469 LYS CB C 13 32.451 0.050 A 469 LYS CD C 13 29.458 0.067 A 469 LYS CE C 13 42.519 0.045 A 469 LYS CG C 13 25.534 0.080 A 469 LYS N N 15 119.572 0.088 A 470 GLN H H 1 8.153 0.007 A 470 GLN HA H 1 4.189 0.019 A 470 GLN HBy H 1 2.170 0.000 A 470 GLN HBx H 1 2.119 0.000 A 470 GLN HGx H 1 2.481 0.051 A 470 GLN HGy H 1 2.481 0.051 A 470 GLN C C 13 179.912 0.044 A 470 GLN CA C 13 60.013 0.164 A 470 GLN CB C 13 28.322 0.042 A 470 GLN CG C 13 34.888 0.291 A 470 GLN N N 15 117.967 0.132 A 471 VAL H H 1 8.123 0.007 A 471 VAL HA H 1 3.694 0.018 A 471 VAL HB H 1 1.977 0.006 A 471 VAL HG1% H 1 0.900 0.016 A 471 VAL HG2% H 1 0.723 0.035 A 471 VAL C C 13 177.065 0.077 A 471 VAL CA C 13 67.920 0.112 A 471 VAL CB C 13 32.073 0.066 A 471 VAL CGy C 13 23.618 0.079 A 471 VAL CGx C 13 21.834 0.141 A 471 VAL N N 15 120.412 0.117 A 472 ARG H H 1 8.528 0.045 A 472 ARG HA H 1 3.602 0.020 A 472 ARG HBy H 1 2.036 0.026 A 472 ARG HBx H 1 1.862 0.011 A 472 ARG HDx H 1 3.187 0.023 A 472 ARG HDy H 1 3.187 0.023 A 472 ARG HGx H 1 1.551 0.020 A 472 ARG HGy H 1 1.551 0.020 A 472 ARG C C 13 177.679 0.039 A 472 ARG CA C 13 61.295 0.026 A 472 ARG CB C 13 29.727 0.040 A 472 ARG CD C 13 43.734 0.053 A 472 ARG CG C 13 27.541 0.147 A 472 ARG N N 15 119.742 0.121 A 473 ASP H H 1 9.051 0.011 A 473 ASP HA H 1 4.346 0.013 A 473 ASP HBx H 1 2.761 0.024 A 473 ASP HBy H 1 2.761 0.024 A 473 ASP C C 13 179.389 0.005 A 473 ASP CA C 13 58.043 0.316 A 473 ASP CB C 13 39.941 0.305 A 473 ASP N N 15 118.390 0.052 A 474 THR H H 1 7.956 0.013 A 474 THR HA H 1 4.010 0.015 A 474 THR HB H 1 4.581 0.014 A 474 THR HG2% H 1 1.184 0.019 A 474 THR C C 13 175.877 0.006 A 474 THR CA C 13 67.534 0.160 A 474 THR CB C 13 69.358 0.031 A 474 THR CG2 C 13 21.554 0.075 A 474 THR N N 15 117.982 0.130 A 475 LEU H H 1 7.904 0.005 A 475 LEU HA H 1 4.260 0.008 A 475 LEU HBy H 1 2.033 0.022 A 475 LEU HBx H 1 1.510 0.019 A 475 LEU HD1% H 1 0.740 0.023 A 475 LEU HD2% H 1 0.932 0.043 A 475 LEU HG H 1 2.204 0.001 A 475 LEU C C 13 178.183 0.052 A 475 LEU CA C 13 57.965 0.143 A 475 LEU CB C 13 42.259 0.059 A 475 LEU CDy C 13 27.170 0.229 A 475 LEU CDx C 13 22.408 0.179 A 475 LEU CG C 13 26.740 0.290 A 475 LEU N N 15 119.503 0.060 A 476 ALA H H 1 9.232 0.012 A 476 ALA HA H 1 5.048 0.014 A 476 ALA HB% H 1 1.537 0.013 A 476 ALA C C 13 178.558 0.033 A 476 ALA CA C 13 53.598 0.088 A 476 ALA CB C 13 18.829 0.042 A 476 ALA N N 15 121.018 0.064 A 477 ALA H H 1 7.066 0.007 A 477 ALA HA H 1 4.275 0.010 A 477 ALA HB% H 1 1.573 0.010 A 477 ALA C C 13 177.404 0.018 A 477 ALA CA C 13 53.790 0.000 A 477 ALA CB C 13 19.032 0.028 A 477 ALA N N 15 117.425 0.051 A 478 ILE H H 1 8.122 0.008 A 478 ILE HA H 1 4.054 0.020 A 478 ILE HB H 1 2.129 0.009 A 478 ILE HD1% H 1 0.948 0.009 A 478 ILE HG1y H 1 1.571 0.007 A 478 ILE HG1x H 1 1.180 0.019 A 478 ILE HG2% H 1 0.844 0.007 A 478 ILE C C 13 175.628 0.038 A 478 ILE CA C 13 62.740 0.183 A 478 ILE CB C 13 39.599 0.097 A 478 ILE CD1 C 13 14.207 0.065 A 478 ILE CG1 C 13 27.976 0.197 A 478 ILE CG2 C 13 18.366 0.040 A 478 ILE N N 15 118.203 0.059 A 479 SER H H 1 8.390 0.008 A 479 SER HA H 1 4.791 0.018 A 479 SER HBy H 1 4.249 0.021 A 479 SER HBx H 1 3.940 0.019 A 479 SER C C 13 172.154 0.008 A 479 SER CA C 13 57.779 0.238 A 479 SER CB C 13 65.130 0.084 A 479 SER N N 15 114.443 0.064 A 480 GLU H H 1 8.139 0.005 A 480 GLU HA H 1 4.428 0.019 A 480 GLU HBy H 1 2.142 0.012 A 480 GLU HBx H 1 2.083 0.012 A 480 GLU HGx H 1 2.225 0.044 A 480 GLU HGy H 1 2.225 0.044 A 480 GLU C C 13 174.596 0.022 A 480 GLU CA C 13 57.294 0.224 A 480 GLU CB C 13 29.263 0.029 A 480 GLU CG C 13 36.837 0.180 A 480 GLU N N 15 117.306 0.112 A 481 VAL H H 1 8.143 0.003 A 481 VAL HA H 1 3.640 0.016 A 481 VAL HB H 1 1.628 0.023 A 481 VAL HG1% H 1 0.432 0.017 A 481 VAL HG2% H 1 0.679 0.131 A 481 VAL C C 13 174.313 0.003 A 481 VAL CA C 13 60.683 0.169 A 481 VAL CB C 13 33.582 0.088 A 481 VAL CGy C 13 23.103 0.054 A 481 VAL CGx C 13 20.472 0.061 A 481 VAL N N 15 127.262 0.070 A 482 LEU H H 1 8.976 0.005 A 482 LEU HA H 1 4.474 0.021 A 482 LEU HBx H 1 1.379 0.035 A 482 LEU HBy H 1 1.379 0.035 A 482 LEU HD1% H 1 0.847 0.041 A 482 LEU HD2% H 1 0.857 0.015 A 482 LEU HG H 1 1.398 0.042 A 482 LEU C C 13 177.212 0.012 A 482 LEU CA C 13 56.197 0.204 A 482 LEU CB C 13 43.447 0.204 A 482 LEU CDy C 13 26.521 0.483 A 482 LEU CDx C 13 23.438 0.332 A 482 LEU CG C 13 27.690 0.122 A 482 LEU N N 15 125.846 0.037 A 483 TYR H H 1 7.245 0.006 A 483 TYR HA H 1 4.583 0.039 A 483 TYR HBy H 1 3.002 0.020 A 483 TYR HBx H 1 2.775 0.031 A 483 TYR HDx H 1 6.990 0.027 A 483 TYR HDy H 1 6.990 0.027 A 483 TYR HEx H 1 6.765 0.017 A 483 TYR HEy H 1 6.765 0.017 A 483 TYR C C 13 172.890 0.080 A 483 TYR CA C 13 58.193 0.199 A 483 TYR CB C 13 41.864 0.031 A 483 TYR CDx C 13 133.671 0.089 A 483 TYR CEx C 13 118.525 0.058 A 483 TYR N N 15 115.656 0.071 A 484 VAL H H 1 8.136 0.038 A 484 VAL HA H 1 4.213 0.016 A 484 VAL HB H 1 1.791 0.018 A 484 VAL HG1% H 1 0.728 0.018 A 484 VAL HG2% H 1 0.728 0.018 A 484 VAL C C 13 172.437 0.059 A 484 VAL CA C 13 62.323 0.098 A 484 VAL CB C 13 33.686 0.154 A 484 VAL CGx C 13 22.000 0.074 A 484 VAL N N 15 124.687 0.193 A 485 ASP H H 1 8.967 0.011 A 485 ASP HA H 1 4.732 0.020 A 485 ASP HBy H 1 3.154 0.025 A 485 ASP HBx H 1 2.707 0.017 A 485 ASP C C 13 174.002 0.017 A 485 ASP CA C 13 52.832 0.098 A 485 ASP CB C 13 42.156 0.072 A 485 ASP N N 15 127.664 0.103 A 486 LEU H H 1 7.856 0.007 A 486 LEU HA H 1 4.677 0.021 A 486 LEU HBy H 1 1.492 0.043 A 486 LEU HBx H 1 1.350 0.028 A 486 LEU HD1% H 1 0.690 0.017 A 486 LEU HD2% H 1 0.875 0.024 A 486 LEU HG H 1 1.344 0.000 A 486 LEU C C 13 174.060 0.001 A 486 LEU CA C 13 54.947 0.077 A 486 LEU CB C 13 46.836 0.073 A 486 LEU CDy C 13 26.485 0.068 A 486 LEU CDx C 13 25.541 0.074 A 486 LEU CG C 13 27.807 0.103 A 486 LEU N N 15 125.948 0.058 A 487 LEU H H 1 8.973 0.016 A 487 LEU HA H 1 4.603 0.021 A 487 LEU HBx H 1 1.682 0.024 A 487 LEU HBy H 1 1.682 0.024 A 487 LEU HD1% H 1 0.918 0.024 A 487 LEU HD2% H 1 0.913 0.000 A 487 LEU HG H 1 1.705 0.015 A 487 LEU C C 13 175.675 0.001 A 487 LEU CA C 13 54.335 0.227 A 487 LEU CB C 13 42.381 0.157 A 487 LEU CDx C 13 24.862 0.012 A 487 LEU CG C 13 27.321 0.139 A 487 LEU N N 15 130.258 0.060 A 488 GLU H H 1 8.610 0.009 A 488 GLU HA H 1 3.931 0.009 A 488 GLU HBy H 1 2.109 0.000 A 488 GLU HBx H 1 2.019 0.008 A 488 GLU HGx H 1 2.376 0.010 A 488 GLU HGy H 1 2.376 0.010 A 488 GLU C C 13 177.496 0.005 A 488 GLU CA C 13 59.328 0.221 A 488 GLU CB C 13 29.373 0.049 A 488 GLU CG C 13 36.710 0.135 A 488 GLU N N 15 123.969 0.087 A 489 GLY H H 1 8.936 0.008 A 489 GLY HAy H 1 4.402 0.013 A 489 GLY HAx H 1 3.712 0.015 A 489 GLY C C 13 174.214 0.021 A 489 GLY CA C 13 45.420 0.130 A 489 GLY N N 15 114.883 0.046 A 490 ASP H H 1 8.183 0.011 A 490 ASP HA H 1 4.826 0.023 A 490 ASP HBy H 1 3.143 0.013 A 490 ASP HBx H 1 3.089 0.019 A 490 ASP C C 13 176.767 0.000 A 490 ASP CA C 13 54.337 0.129 A 490 ASP CB C 13 42.543 0.070 A 490 ASP N N 15 120.433 0.063 A 491 THR H H 1 8.974 0.005 A 491 THR HA H 1 4.217 0.012 A 491 THR HB H 1 4.805 0.013 A 491 THR HG2% H 1 0.961 0.012 A 491 THR C C 13 172.036 0.081 A 491 THR CA C 13 62.017 0.171 A 491 THR CB C 13 69.268 0.084 A 491 THR CG2 C 13 21.542 0.050 A 491 THR N N 15 109.592 0.076 A 492 GLU H H 1 7.146 0.015 A 492 GLU HA H 1 5.505 0.017 A 492 GLU HBx H 1 1.868 0.064 A 492 GLU HBy H 1 1.868 0.064 A 492 GLU HGx H 1 2.121 0.022 A 492 GLU HGy H 1 2.121 0.022 A 492 GLU C C 13 174.602 0.028 A 492 GLU CA C 13 53.756 0.127 A 492 GLU CB C 13 34.221 0.212 A 492 GLU CG C 13 36.285 0.154 A 492 GLU N N 15 117.452 0.059 A 493 CYS H H 1 8.795 0.005 A 493 CYS HA H 1 5.104 0.017 A 493 CYS HBy H 1 3.168 0.024 A 493 CYS HBx H 1 2.661 0.023 A 493 CYS C C 13 170.930 0.004 A 493 CYS CA C 13 56.435 0.115 A 493 CYS CB C 13 31.543 0.063 A 493 CYS N N 15 114.922 0.055 A 494 HIS H H 1 8.193 0.022 A 494 HIS HA H 1 5.518 0.016 A 494 HIS HBy H 1 2.868 0.017 A 494 HIS HBx H 1 2.464 0.023 A 494 HIS HD2 H 1 6.089 0.011 A 494 HIS HE1 H 1 7.688 0.015 A 494 HIS C C 13 173.521 0.020 A 494 HIS CA C 13 56.189 0.171 A 494 HIS CB C 13 32.640 0.117 A 494 HIS CD2 C 13 125.662 0.068 A 494 HIS CE1 C 13 138.851 0.068 A 494 HIS N N 15 116.194 0.069 A 495 ALA H H 1 9.459 1.036 A 495 ALA HA H 1 5.133 0.018 A 495 ALA HB% H 1 1.061 0.019 A 495 ALA C C 13 173.417 0.010 A 495 ALA CA C 13 50.219 0.110 A 495 ALA CB C 13 22.975 0.058 A 495 ALA N N 15 126.365 0.063 A 496 ARG H H 1 8.403 0.010 A 496 ARG HA H 1 5.309 0.024 A 496 ARG HBy H 1 1.504 0.006 A 496 ARG HBx H 1 1.470 0.020 A 496 ARG HDy H 1 3.279 0.031 A 496 ARG HDx H 1 2.820 0.014 A 496 ARG HGx H 1 1.568 0.020 A 496 ARG HGy H 1 1.568 0.020 A 496 ARG C C 13 174.772 0.000 A 496 ARG CA C 13 54.696 0.081 A 496 ARG CB C 13 33.311 0.065 A 496 ARG CD C 13 44.215 0.118 A 496 ARG CG C 13 28.889 0.515 A 496 ARG N N 15 122.000 0.118 A 497 PHE H H 1 9.189 0.011 A 497 PHE HA H 1 4.730 0.022 A 497 PHE HBy H 1 3.455 0.059 A 497 PHE HBx H 1 2.944 0.042 A 497 PHE HDx H 1 7.333 0.023 A 497 PHE HDy H 1 7.333 0.023 A 497 PHE HEx H 1 7.112 0.024 A 497 PHE HEy H 1 7.112 0.024 A 497 PHE HZ H 1 7.039 0.025 A 497 PHE C C 13 174.486 0.067 A 497 PHE CA C 13 58.320 0.079 A 497 PHE CB C 13 42.671 0.136 A 497 PHE CDx C 13 132.352 0.061 A 497 PHE CEx C 13 131.843 0.086 A 497 PHE N N 15 125.984 0.093 A 498 LYS H H 1 9.091 0.006 A 498 LYS HA H 1 4.114 0.031 A 498 LYS HBy H 1 2.272 0.013 A 498 LYS HBx H 1 1.815 0.000 A 498 LYS HDx H 1 1.857 0.003 A 498 LYS HDy H 1 1.857 0.003 A 498 LYS HEx H 1 3.012 0.018 A 498 LYS HEy H 1 3.012 0.018 A 498 LYS HGx H 1 1.612 0.013 A 498 LYS HGy H 1 1.612 0.013 A 498 LYS C C 13 176.332 0.011 A 498 LYS CA C 13 60.302 0.331 A 498 LYS CB C 13 34.150 0.071 A 498 LYS CD C 13 29.791 0.135 A 498 LYS CE C 13 42.341 0.018 A 498 LYS CG C 13 26.119 0.012 A 498 LYS N N 15 119.122 0.060 A 499 THR H H 1 7.647 0.011 A 499 THR HA H 1 5.034 0.014 A 499 THR HB H 1 4.703 0.011 A 499 THR HG2% H 1 1.349 0.015 A 499 THR CA C 13 58.929 0.089 A 499 THR CB C 13 71.513 0.058 A 499 THR CG2 C 13 22.422 0.034 A 499 THR N N 15 103.848 0.054 A 500 PRO HA H 1 4.452 0.008 A 500 PRO HBx H 1 1.976 0.027 A 500 PRO HBy H 1 2.591 0.017 A 500 PRO HDx H 1 3.672 0.036 A 500 PRO HDy H 1 3.672 0.036 A 500 PRO HGy H 1 2.296 0.004 A 500 PRO HGx H 1 1.869 0.000 A 500 PRO C C 13 178.960 0.000 A 500 PRO CA C 13 65.178 0.008 A 500 PRO CB C 13 32.441 0.087 A 500 PRO CD C 13 51.185 0.175 A 500 PRO CG C 13 28.164 0.014 A 501 GLU H H 1 8.886 0.005 A 501 GLU HA H 1 3.988 0.024 A 501 GLU HBx H 1 2.217 0.019 A 501 GLU HBy H 1 2.217 0.019 A 501 GLU HGx H 1 2.299 0.000 A 501 GLU HGy H 1 2.299 0.000 A 501 GLU C C 13 179.500 0.000 A 501 GLU CA C 13 61.240 0.127 A 501 GLU CB C 13 28.557 0.049 A 501 GLU CG C 13 37.867 0.119 A 501 GLU N N 15 118.630 0.058 A 502 ASP H H 1 8.067 0.007 A 502 ASP HA H 1 4.487 0.017 A 502 ASP HBy H 1 3.199 0.012 A 502 ASP HBx H 1 2.989 0.017 A 502 ASP C C 13 178.239 0.037 A 502 ASP CA C 13 58.175 0.156 A 502 ASP CB C 13 43.033 0.136 A 502 ASP N N 15 121.145 0.045 A 503 ALA H H 1 7.243 0.008 A 503 ALA HA H 1 2.706 0.016 A 503 ALA HB% H 1 1.338 0.018 A 503 ALA C C 13 178.757 0.019 A 503 ALA CA C 13 55.203 0.096 A 503 ALA CB C 13 18.479 0.049 A 503 ALA N N 15 123.510 0.049 A 504 GLN H H 1 8.404 0.005 A 504 GLN HA H 1 3.737 0.013 A 504 GLN HBy H 1 2.118 0.000 A 504 GLN HBx H 1 2.083 0.017 A 504 GLN HGx H 1 2.435 0.017 A 504 GLN HGy H 1 2.435 0.017 A 504 GLN C C 13 177.519 0.035 A 504 GLN CA C 13 58.260 0.170 A 504 GLN CB C 13 28.346 0.155 A 504 GLN CG C 13 33.853 0.066 A 504 GLN N N 15 116.752 0.049 A 505 ALA H H 1 7.828 0.008 A 505 ALA HA H 1 4.132 0.011 A 505 ALA HB% H 1 1.517 0.013 A 505 ALA C C 13 180.346 0.014 A 505 ALA CA C 13 55.458 0.075 A 505 ALA CB C 13 18.289 0.074 A 505 ALA N N 15 120.760 0.090 A 506 VAL H H 1 6.892 0.007 A 506 VAL HA H 1 3.780 0.014 A 506 VAL HB H 1 2.004 0.009 A 506 VAL HG1% H 1 1.015 0.000 A 506 VAL HG2% H 1 0.910 0.007 A 506 VAL C C 13 176.753 0.015 A 506 VAL CA C 13 66.867 0.146 A 506 VAL CB C 13 31.526 0.107 A 506 VAL CGy C 13 24.563 0.007 A 506 VAL CGx C 13 22.726 0.035 A 506 VAL N N 15 117.172 0.053 A 507 ILE H H 1 7.214 0.011 A 507 ILE HA H 1 3.770 0.019 A 507 ILE HB H 1 2.173 0.035 A 507 ILE HD1% H 1 0.699 0.023 A 507 ILE HG1y H 1 1.629 0.000 A 507 ILE HG1x H 1 1.378 0.000 A 507 ILE HG2% H 1 0.999 0.004 A 507 ILE C C 13 180.179 0.009 A 507 ILE CA C 13 63.570 0.058 A 507 ILE CB C 13 35.914 0.048 A 507 ILE CD1 C 13 11.848 0.158 A 507 ILE CG1 C 13 28.844 0.071 A 507 ILE CG2 C 13 18.579 0.135 A 507 ILE N N 15 119.362 0.054 A 508 ASN H H 1 8.668 0.009 A 508 ASN HA H 1 4.636 0.023 A 508 ASN HBx H 1 2.933 0.010 A 508 ASN HBy H 1 2.933 0.010 A 508 ASN HD2y H 1 7.754 0.003 A 508 ASN HD2x H 1 7.095 0.004 A 508 ASN C C 13 176.237 0.032 A 508 ASN CA C 13 55.473 0.240 A 508 ASN CB C 13 37.731 0.577 A 508 ASN N N 15 118.729 0.052 A 508 ASN ND2 N 15 111.695 0.073 A 509 ALA H H 1 7.716 0.010 A 509 ALA HA H 1 4.709 0.036 A 509 ALA HB% H 1 1.628 0.019 A 509 ALA C C 13 177.293 0.028 A 509 ALA CA C 13 52.758 0.025 A 509 ALA CB C 13 19.012 0.015 A 509 ALA N N 15 123.315 0.090 A 510 TYR H H 1 7.746 0.009 A 510 TYR HA H 1 4.147 0.018 A 510 TYR HBx H 1 3.333 0.038 A 510 TYR HBy H 1 3.471 0.029 A 510 TYR HDx H 1 7.192 0.011 A 510 TYR HDy H 1 7.206 0.005 A 510 TYR HEx H 1 6.923 0.017 A 510 TYR HEy H 1 6.923 0.017 A 510 TYR C C 13 176.810 0.042 A 510 TYR CA C 13 62.282 0.118 A 510 TYR CB C 13 39.340 0.146 A 510 TYR CDy C 13 135.941 0.030 A 510 TYR CDx C 13 133.577 0.041 A 510 TYR CEx C 13 118.874 0.060 A 510 TYR N N 15 119.644 0.115 A 511 THR H H 1 8.468 0.018 A 511 THR HA H 1 4.250 0.004 A 511 THR HB H 1 3.961 0.014 A 511 THR HG2% H 1 1.285 0.016 A 511 THR C C 13 175.882 0.002 A 511 THR CA C 13 66.183 0.391 A 511 THR CB C 13 68.981 0.065 A 511 THR CG2 C 13 22.301 0.000 A 511 THR N N 15 113.887 0.058 A 512 GLU H H 1 7.733 0.008 A 512 GLU HA H 1 4.210 0.046 A 512 GLU HBx H 1 2.139 0.018 A 512 GLU HBy H 1 2.139 0.018 A 512 GLU HGx H 1 2.313 0.002 A 512 GLU HGy H 1 2.313 0.002 A 512 GLU C C 13 179.085 0.057 A 512 GLU CA C 13 58.872 0.000 A 512 GLU CB C 13 29.820 0.064 A 512 GLU CG C 13 36.102 0.182 A 512 GLU N N 15 121.773 0.081 A 513 ILE H H 1 8.349 0.015 A 513 ILE HA H 1 3.764 0.024 A 513 ILE HB H 1 1.890 0.009 A 513 ILE HD1% H 1 0.911 0.027 A 513 ILE HG1y H 1 1.696 0.009 A 513 ILE HG1x H 1 1.063 0.000 A 513 ILE HG2% H 1 0.869 0.013 A 513 ILE CA C 13 64.812 0.079 A 513 ILE CB C 13 38.765 0.039 A 513 ILE CD1 C 13 14.084 0.107 A 513 ILE CG1 C 13 29.293 0.061 A 513 ILE CG2 C 13 18.126 0.066 A 513 ILE N N 15 121.228 0.104 A 514 ASN H H 1 8.326 0.008 A 514 ASN HA H 1 4.972 0.039 A 514 ASN HBy H 1 2.728 0.029 A 514 ASN HBx H 1 2.676 0.013 A 514 ASN HD2x H 1 7.065 0.020 A 514 ASN HD2y H 1 7.194 0.027 A 514 ASN C C 13 175.676 0.090 A 514 ASN CA C 13 54.770 0.190 A 514 ASN CB C 13 39.026 0.155 A 514 ASN N N 15 117.772 0.079 A 514 ASN ND2 N 15 110.330 0.076 A 515 LYS H H 1 7.585 0.008 A 515 LYS HA H 1 4.151 0.013 A 515 LYS HBy H 1 1.876 0.000 A 515 LYS HBx H 1 1.821 0.004 A 515 LYS HDy H 1 1.902 0.000 A 515 LYS HDx H 1 1.652 0.005 A 515 LYS HEx H 1 2.937 0.024 A 515 LYS HEy H 1 2.937 0.024 A 515 LYS HGx H 1 1.382 0.007 A 515 LYS HGy H 1 1.382 0.007 A 515 LYS C C 13 177.064 0.000 A 515 LYS CA C 13 58.733 0.000 A 515 LYS CB C 13 33.088 0.000 A 515 LYS CD C 13 29.669 0.090 A 515 LYS CE C 13 42.296 0.014 A 515 LYS CG C 13 25.783 0.210 A 515 LYS N N 15 119.286 0.074 A 516 LYS H H 1 7.618 0.005 A 516 LYS HA H 1 4.202 0.021 A 516 LYS HBy H 1 1.470 0.002 A 516 LYS HBx H 1 1.403 0.013 A 516 LYS HDx H 1 1.555 0.018 A 516 LYS HDy H 1 1.555 0.018 A 516 LYS HEx H 1 2.873 0.010 A 516 LYS HEy H 1 2.873 0.010 A 516 LYS HGx H 1 1.169 0.025 A 516 LYS HGy H 1 1.169 0.025 A 516 LYS CA C 13 56.583 0.239 A 516 LYS CB C 13 34.505 0.059 A 516 LYS CD C 13 29.095 0.102 A 516 LYS CE C 13 42.091 0.091 A 516 LYS CG C 13 25.308 0.096 A 516 LYS N N 15 116.488 0.082 A 517 HIS H H 1 7.819 0.008 A 517 HIS HA H 1 4.529 0.052 A 517 HIS HBx H 1 3.145 0.032 A 517 HIS HBy H 1 3.145 0.032 A 517 HIS HD2 H 1 6.445 0.013 A 517 HIS HE1 H 1 7.798 0.005 A 517 HIS CA C 13 54.912 0.136 A 517 HIS CB C 13 30.529 0.051 A 517 HIS CD2 C 13 121.112 0.086 A 517 HIS CE1 C 13 137.761 0.183 A 517 HIS N N 15 116.726 0.155 A 518 CYS H H 1 7.797 0.003 A 518 CYS HA H 1 4.844 0.016 A 518 CYS HBy H 1 3.290 0.000 A 518 CYS HBx H 1 2.906 0.060 A 518 CYS CB C 13 28.386 0.000 A 518 CYS N N 15 117.102 0.064 A 519 TRP H H 1 9.886 0.001 A 519 TRP HA H 1 5.606 0.021 A 519 TRP HBy H 1 2.979 0.024 A 519 TRP HBx H 1 2.934 0.012 A 519 TRP HD1 H 1 7.136 0.022 A 519 TRP HE1 H 1 9.706 0.000 A 519 TRP HE3 H 1 6.946 0.050 A 519 TRP HH2 H 1 6.727 0.035 A 519 TRP HZ2 H 1 6.784 0.011 A 519 TRP HZ3 H 1 6.984 0.022 A 519 TRP CA C 13 53.898 0.093 A 519 TRP CB C 13 33.199 0.033 A 519 TRP CD1 C 13 123.452 0.084 A 519 TRP CE3 C 13 119.880 0.037 A 519 TRP CH2 C 13 123.879 0.084 A 519 TRP CZ2 C 13 113.599 0.076 A 519 TRP CZ3 C 13 122.207 0.047 A 519 TRP N N 15 127.330 0.028 A 520 LYS H H 1 9.152 0.015 A 520 LYS HA H 1 4.811 0.018 A 520 LYS HBx H 1 1.864 0.011 A 520 LYS HBy H 1 1.864 0.011 A 520 LYS HDx H 1 1.752 0.030 A 520 LYS HDy H 1 1.752 0.030 A 520 LYS HEx H 1 3.105 0.000 A 520 LYS HEy H 1 3.105 0.000 A 520 LYS HGx H 1 1.530 0.021 A 520 LYS HGy H 1 1.530 0.021 A 520 LYS CA C 13 55.967 0.175 A 520 LYS CB C 13 34.631 0.029 A 520 LYS CD C 13 29.690 0.083 A 520 LYS CE C 13 42.463 0.146 A 520 LYS CG C 13 25.477 0.082 A 520 LYS N N 15 122.340 0.086 A 521 LEU H H 1 8.252 0.013 A 521 LEU HA H 1 5.457 0.017 A 521 LEU HBy H 1 1.605 0.012 A 521 LEU HBx H 1 1.295 0.025 A 521 LEU HD1% H 1 0.825 0.023 A 521 LEU HD2% H 1 0.914 0.015 A 521 LEU HG H 1 1.657 0.011 A 521 LEU C C 13 176.038 0.000 A 521 LEU CA C 13 54.810 0.154 A 521 LEU CB C 13 46.191 0.073 A 521 LEU CDx C 13 27.131 0.067 A 521 LEU CG C 13 28.672 0.012 A 521 LEU N N 15 123.186 0.171 A 522 GLU H H 1 8.587 0.018 A 522 GLU HA H 1 4.583 0.021 A 522 GLU HBx H 1 1.916 0.014 A 522 GLU HBy H 1 1.916 0.014 A 522 GLU HGx H 1 2.056 0.004 A 522 GLU HGy H 1 2.056 0.004 A 522 GLU C C 13 174.188 0.017 A 522 GLU CA C 13 55.393 0.206 A 522 GLU CB C 13 34.242 0.089 A 522 GLU CG C 13 36.153 0.302 A 522 GLU N N 15 119.705 0.088 A 523 ILE H H 1 8.929 0.007 A 523 ILE HA H 1 4.744 0.023 A 523 ILE HB H 1 1.711 0.020 A 523 ILE HD1% H 1 0.889 0.076 A 523 ILE HG1y H 1 1.588 0.007 A 523 ILE HG1x H 1 0.848 0.002 A 523 ILE HG2% H 1 0.941 0.005 A 523 ILE C C 13 177.157 0.015 A 523 ILE CA C 13 60.904 0.206 A 523 ILE CB C 13 38.970 0.070 A 523 ILE CD1 C 13 14.130 0.050 A 523 ILE CG1 C 13 29.696 0.032 A 523 ILE CG2 C 13 17.665 0.034 A 523 ILE N N 15 125.723 0.064 A 524 LEU H H 1 8.607 0.006 A 524 LEU HA H 1 4.501 0.018 A 524 LEU HBy H 1 1.967 0.043 A 524 LEU HBx H 1 1.267 0.039 A 524 LEU HD1% H 1 0.888 0.020 A 524 LEU HD2% H 1 0.962 0.010 A 524 LEU HG H 1 1.351 0.077 A 524 LEU C C 13 176.385 0.037 A 524 LEU CA C 13 56.098 0.169 A 524 LEU CB C 13 43.482 0.141 A 524 LEU CDy C 13 23.629 0.092 A 524 LEU CG C 13 27.212 0.000 A 524 LEU N N 15 127.413 0.102 A 525 SER H H 1 8.757 0.018 A 525 SER HA H 1 4.856 0.019 A 525 SER HBy H 1 4.051 0.029 A 525 SER HBx H 1 3.916 0.019 A 525 SER C C 13 174.975 0.028 A 525 SER CA C 13 57.227 0.111 A 525 SER CB C 13 66.749 0.357 A 525 SER N N 15 115.245 0.088 A 526 GLY H H 1 9.056 0.004 A 526 GLY HAx H 1 4.080 0.007 A 526 GLY HAy H 1 4.080 0.007 A 526 GLY C C 13 175.982 0.000 A 526 GLY CA C 13 47.115 0.180 A 526 GLY N N 15 108.880 0.079 A 527 ASP H H 1 9.192 0.002 A 527 ASP HA H 1 4.463 0.018 A 527 ASP HBx H 1 2.610 0.024 A 527 ASP HBy H 1 2.610 0.024 A 527 ASP CA C 13 57.409 0.143 A 527 ASP CB C 13 41.071 0.158 A 527 ASP N N 15 126.437 0.090 A 528 HIS H H 1 8.321 0.046 A 528 HIS HA H 1 4.446 0.014 A 528 HIS HBx H 1 3.289 0.039 A 528 HIS HBy H 1 3.569 0.028 A 528 HIS HD2 H 1 7.317 0.016 A 528 HIS HE1 H 1 7.944 0.010 A 528 HIS C C 13 179.016 0.000 A 528 HIS CA C 13 59.617 0.148 A 528 HIS CB C 13 30.867 0.194 A 528 HIS CD2 C 13 119.493 0.076 A 528 HIS CE1 C 13 139.197 0.363 A 528 HIS N N 15 117.849 0.104 A 529 GLU H H 1 7.498 0.017 A 529 GLU HA H 1 4.091 0.018 A 529 GLU HBy H 1 2.493 0.043 A 529 GLU HBx H 1 1.706 0.012 A 529 GLU HGx H 1 2.462 0.049 A 529 GLU HGy H 1 2.462 0.049 A 529 GLU C C 13 176.981 0.027 A 529 GLU CA C 13 59.812 0.114 A 529 GLU CB C 13 30.284 0.078 A 529 GLU CG C 13 38.061 0.148 A 529 GLU N N 15 121.080 0.082 A 530 GLN H H 1 7.984 0.015 A 530 GLN HA H 1 4.042 0.023 A 530 GLN HBy H 1 2.288 0.017 A 530 GLN HBx H 1 2.244 0.017 A 530 GLN HE2y H 1 7.541 0.005 A 530 GLN HE2x H 1 6.872 0.007 A 530 GLN HGx H 1 2.309 0.023 A 530 GLN HGy H 1 2.309 0.023 A 530 GLN C C 13 178.692 0.066 A 530 GLN CA C 13 59.770 0.188 A 530 GLN CB C 13 28.450 0.083 A 530 GLN CG C 13 33.948 0.173 A 530 GLN N N 15 118.478 0.111 A 530 GLN NE2 N 15 111.561 0.068 A 531 ARG H H 1 8.533 0.003 A 531 ARG HA H 1 4.059 0.001 A 531 ARG HBx H 1 1.933 0.007 A 531 ARG HBy H 1 1.956 0.001 A 531 ARG HDx H 1 3.250 0.015 A 531 ARG HDy H 1 3.250 0.015 A 531 ARG HGy H 1 1.923 0.004 A 531 ARG HGx H 1 1.672 0.010 A 531 ARG C C 13 178.770 0.079 A 531 ARG CA C 13 59.688 0.009 A 531 ARG CB C 13 30.659 0.100 A 531 ARG CD C 13 43.717 0.145 A 531 ARG CG C 13 28.400 0.190 A 531 ARG N N 15 117.883 0.061 A 532 TYR H H 1 7.780 0.003 A 532 TYR HA H 1 3.958 0.014 A 532 TYR HBy H 1 2.903 0.017 A 532 TYR HBx H 1 2.855 0.005 A 532 TYR HDx H 1 6.224 0.035 A 532 TYR HDy H 1 6.960 0.012 A 532 TYR HEx H 1 6.054 0.022 A 532 TYR HEy H 1 6.768 0.009 A 532 TYR C C 13 177.375 0.033 A 532 TYR CA C 13 62.924 0.072 A 532 TYR CB C 13 38.948 0.041 A 532 TYR CDy C 13 132.451 0.059 A 532 TYR CDx C 13 131.018 0.068 A 532 TYR CEx C 13 117.996 0.040 A 532 TYR CEy C 13 120.789 0.118 A 532 TYR N N 15 121.125 0.057 A 533 TRP H H 1 7.992 0.013 A 533 TRP HA H 1 4.040 0.021 A 533 TRP HBy H 1 3.242 0.035 A 533 TRP HBx H 1 3.040 0.036 A 533 TRP HD1 H 1 7.325 0.025 A 533 TRP HE1 H 1 10.980 0.004 A 533 TRP HE3 H 1 7.599 0.012 A 533 TRP HH2 H 1 7.160 0.014 A 533 TRP HZ2 H 1 7.415 0.014 A 533 TRP HZ3 H 1 7.006 0.031 A 533 TRP C C 13 178.204 0.010 A 533 TRP CA C 13 61.386 0.098 A 533 TRP CB C 13 29.080 0.079 A 533 TRP CD1 C 13 126.940 0.036 A 533 TRP CE3 C 13 120.855 0.106 A 533 TRP CH2 C 13 124.663 0.157 A 533 TRP CZ2 C 13 114.066 0.055 A 533 TRP CZ3 C 13 122.088 0.229 A 533 TRP N N 15 117.784 0.097 A 533 TRP NE1 N 15 130.900 0.032 A 534 GLN H H 1 8.110 0.006 A 534 GLN HA H 1 4.060 0.012 A 534 GLN HBy H 1 2.208 0.016 A 534 GLN HBx H 1 2.198 0.010 A 534 GLN HE2y H 1 7.678 0.001 A 534 GLN HE2x H 1 6.399 0.011 A 534 GLN HGx H 1 2.535 0.032 A 534 GLN HGy H 1 2.535 0.032 A 534 GLN C C 13 177.730 0.023 A 534 GLN CA C 13 59.211 0.186 A 534 GLN CB C 13 28.508 0.103 A 534 GLN CG C 13 34.178 0.052 A 534 GLN N N 15 117.921 0.051 A 534 GLN NE2 N 15 112.415 0.096 A 535 LYS H H 1 7.442 0.006 A 535 LYS HA H 1 4.030 0.027 A 535 LYS HBx H 1 1.749 0.025 A 535 LYS HBy H 1 1.749 0.025 A 535 LYS HDx H 1 1.497 0.010 A 535 LYS HDy H 1 1.497 0.010 A 535 LYS HEx H 1 2.850 0.017 A 535 LYS HEy H 1 2.850 0.017 A 535 LYS HGy H 1 1.416 0.023 A 535 LYS HGx H 1 1.250 0.015 A 535 LYS C C 13 177.957 0.030 A 535 LYS CA C 13 59.115 0.206 A 535 LYS CB C 13 32.333 0.108 A 535 LYS CD C 13 29.577 0.084 A 535 LYS CE C 13 42.139 0.044 A 535 LYS CG C 13 25.184 0.131 A 535 LYS N N 15 118.371 0.095 A 536 ILE H H 1 7.371 0.007 A 536 ILE HA H 1 3.793 0.023 A 536 ILE HB H 1 1.818 0.019 A 536 ILE HD1% H 1 0.126 0.026 A 536 ILE HG1y H 1 1.083 0.020 A 536 ILE HG1x H 1 0.790 0.021 A 536 ILE HG2% H 1 0.658 0.020 A 536 ILE C C 13 177.851 0.010 A 536 ILE CA C 13 63.652 0.086 A 536 ILE CB C 13 38.161 0.101 A 536 ILE CD1 C 13 12.574 0.073 A 536 ILE CG1 C 13 27.623 0.120 A 536 ILE CG2 C 13 17.804 0.060 A 536 ILE N N 15 117.044 0.096 A 537 LEU H H 1 8.022 0.010 A 537 LEU HA H 1 4.238 0.017 A 537 LEU HBy H 1 1.868 0.009 A 537 LEU HBx H 1 1.657 0.028 A 537 LEU HD1% H 1 1.023 0.002 A 537 LEU HD2% H 1 1.010 0.006 A 537 LEU HG H 1 2.009 0.000 A 537 LEU C C 13 178.368 0.096 A 537 LEU CA C 13 56.827 0.138 A 537 LEU CB C 13 42.232 0.160 A 537 LEU CDy C 13 25.672 0.247 A 537 LEU CDx C 13 23.426 0.074 A 537 LEU CG C 13 27.457 0.011 A 537 LEU N N 15 120.529 0.075 A 538 VAL H H 1 7.806 0.003 A 538 VAL HA H 1 3.965 0.006 A 538 VAL HB H 1 2.190 0.018 A 538 VAL HG1% H 1 0.983 0.017 A 538 VAL HG2% H 1 0.983 0.017 A 538 VAL C C 13 177.021 0.004 A 538 VAL CA C 13 64.529 0.042 A 538 VAL CB C 13 32.589 0.088 A 538 VAL CGx C 13 21.811 0.124 A 538 VAL N N 15 119.329 0.063 A 539 ASP H H 1 8.275 0.003 A 539 ASP HA H 1 4.566 0.032 A 539 ASP HBy H 1 2.733 0.009 A 539 ASP HBx H 1 2.704 0.017 A 539 ASP C C 13 177.362 0.003 A 539 ASP CA C 13 55.751 0.145 A 539 ASP CB C 13 41.237 0.067 A 539 ASP N N 15 122.566 0.095 A 540 ARG H H 1 8.203 0.008 A 540 ARG HA H 1 4.208 0.019 A 540 ARG HBy H 1 1.925 0.000 A 540 ARG HBx H 1 1.901 0.017 A 540 ARG HDx H 1 3.195 0.029 A 540 ARG HDy H 1 3.195 0.029 A 540 ARG HGx H 1 1.718 0.005 A 540 ARG HGy H 1 1.718 0.005 A 540 ARG C C 13 177.327 0.029 A 540 ARG CA C 13 57.655 0.188 A 540 ARG CB C 13 30.594 0.041 A 540 ARG CD C 13 43.659 0.080 A 540 ARG CG C 13 27.622 0.036 A 540 ARG N N 15 120.570 0.083 A 541 GLN H H 1 8.178 0.006 A 541 GLN HA H 1 4.214 0.000 A 541 GLN HBy H 1 2.196 0.000 A 541 GLN HBx H 1 2.125 0.015 A 541 GLN HE2y H 1 7.592 0.005 A 541 GLN HE2x H 1 6.924 0.030 A 541 GLN HGx H 1 2.423 0.022 A 541 GLN HGy H 1 2.423 0.022 A 541 GLN C C 13 176.503 0.000 A 541 GLN CA C 13 56.994 0.204 A 541 GLN CB C 13 29.279 0.230 A 541 GLN CG C 13 34.145 0.054 A 541 GLN N N 15 119.103 0.082 A 541 GLN NE2 N 15 112.350 0.153 A 542 ALA H H 1 8.099 0.006 A 542 ALA HA H 1 4.247 0.017 A 542 ALA HB% H 1 1.463 0.016 A 542 ALA C C 13 178.341 0.011 A 542 ALA CA C 13 53.705 0.095 A 542 ALA CB C 13 19.221 0.073 A 542 ALA N N 15 123.609 0.116 A 543 LYS H H 1 8.085 0.006 A 543 LYS HA H 1 4.265 0.015 A 543 LYS HBx H 1 1.848 0.010 A 543 LYS HBy H 1 1.848 0.010 A 543 LYS HDx H 1 1.711 0.000 A 543 LYS HDy H 1 1.711 0.000 A 543 LYS HEx H 1 3.032 0.015 A 543 LYS HEy H 1 3.032 0.015 A 543 LYS HGx H 1 1.493 0.001 A 543 LYS HGy H 1 1.493 0.001 A 543 LYS C C 13 176.974 0.006 A 543 LYS CA C 13 56.957 0.066 A 543 LYS CB C 13 33.115 0.063 A 543 LYS CD C 13 29.338 0.024 A 543 LYS CE C 13 42.403 0.032 A 543 LYS CG C 13 25.364 0.028 A 543 LYS N N 15 119.015 0.085 A 544 LEU H H 1 8.058 0.011 A 544 LEU HA H 1 4.316 0.015 A 544 LEU HBy H 1 1.666 0.041 A 544 LEU HBx H 1 1.623 0.007 A 544 LEU HD2% H 1 0.874 0.006 A 544 LEU HG H 1 1.584 0.000 A 544 LEU C C 13 177.147 0.005 A 544 LEU CA C 13 55.764 0.118 A 544 LEU CB C 13 42.651 0.080 A 544 LEU CDy C 13 25.086 0.000 A 544 LEU CDx C 13 23.735 0.186 A 544 LEU CG C 13 27.309 0.144 A 544 LEU N N 15 121.654 0.107 A 545 ASN H H 1 8.330 0.007 A 545 ASN HA H 1 4.810 0.040 A 545 ASN HBy H 1 2.872 0.000 A 545 ASN HBx H 1 2.819 0.011 A 545 ASN HD2y H 1 7.658 0.002 A 545 ASN HD2x H 1 6.977 0.003 A 545 ASN C C 13 174.594 0.005 A 545 ASN CA C 13 53.453 0.207 A 545 ASN CB C 13 39.170 0.092 A 545 ASN N N 15 118.688 0.088 A 545 ASN ND2 N 15 112.962 0.125 A 546 GLN H H 1 8.162 0.007 A 546 GLN HA H 1 4.639 0.021 A 546 GLN HBx H 1 2.053 0.030 A 546 GLN HBy H 1 2.053 0.030 A 546 GLN HGx H 1 2.393 0.013 A 546 GLN HGy H 1 2.393 0.013 A 546 GLN C C 13 173.715 0.000 A 546 GLN CA C 13 54.403 0.126 A 546 GLN CB C 13 29.288 0.071 A 546 GLN CG C 13 33.982 0.024 A 546 GLN N N 15 121.250 0.060 A 547 PRO HA H 1 4.463 0.003 A 547 PRO HBy H 1 2.360 0.014 A 547 PRO HBx H 1 1.960 0.003 A 547 PRO HDy H 1 3.827 0.026 A 547 PRO HDx H 1 3.733 0.043 A 547 PRO HGx H 1 2.064 0.020 A 547 PRO HGy H 1 2.064 0.020 A 547 PRO C C 13 176.837 0.000 A 547 PRO CA C 13 63.642 0.129 A 547 PRO CB C 13 32.515 0.073 A 547 PRO CD C 13 51.035 0.071 A 547 PRO CG C 13 27.824 0.043 A 548 ARG H H 1 8.533 0.002 A 548 ARG HA H 1 4.333 0.010 A 548 ARG HBy H 1 1.915 0.000 A 548 ARG HBx H 1 1.852 0.002 A 548 ARG HDx H 1 3.262 0.022 A 548 ARG HDy H 1 3.262 0.022 A 548 ARG HGx H 1 1.722 0.011 A 548 ARG HGy H 1 1.722 0.011 A 548 ARG C C 13 176.250 0.045 A 548 ARG CA C 13 56.578 0.214 A 548 ARG CB C 13 31.104 0.177 A 548 ARG CD C 13 43.561 0.081 A 548 ARG CG C 13 27.416 0.148 A 548 ARG N N 15 121.594 0.061 A 549 GLU H H 1 8.484 0.002 A 549 GLU HA H 1 4.306 0.002 A 549 GLU HBy H 1 2.292 0.010 A 549 GLU HBx H 1 2.019 0.013 A 549 GLU HGx H 1 2.324 0.008 A 549 GLU HGy H 1 2.324 0.008 A 549 GLU C C 13 176.227 0.016 A 549 GLU CA C 13 56.672 0.149 A 549 GLU CB C 13 30.773 0.128 A 549 GLU CG C 13 36.614 0.194 A 549 GLU N N 15 122.040 0.065 A 550 LYS H H 1 8.456 0.004 A 550 LYS HA H 1 4.365 0.013 A 550 LYS HBx H 1 2.227 0.573 A 550 LYS HBy H 1 2.227 0.573 A 550 LYS HDx H 1 1.751 0.017 A 550 LYS HDy H 1 1.751 0.017 A 550 LYS HEx H 1 2.818 0.000 A 550 LYS HEy H 1 2.818 0.000 A 550 LYS HGx H 1 1.476 0.019 A 550 LYS HGy H 1 1.476 0.019 A 550 LYS C C 13 176.332 0.016 A 550 LYS CA C 13 56.479 0.128 A 550 LYS CB C 13 33.413 0.066 A 550 LYS CD C 13 29.400 0.022 A 550 LYS CE C 13 42.263 0.060 A 550 LYS CG C 13 25.032 0.086 A 550 LYS N N 15 123.419 0.120 A 551 LYS H H 1 8.430 0.003 A 551 LYS HA H 1 4.261 0.032 A 551 LYS HBx H 1 1.816 0.017 A 551 LYS HBy H 1 1.816 0.017 A 551 LYS HDx H 1 1.697 0.007 A 551 LYS HDy H 1 1.697 0.007 A 551 LYS HEx H 1 3.003 0.014 A 551 LYS HEy H 1 3.003 0.014 A 551 LYS HGx H 1 1.461 0.001 A 551 LYS HGy H 1 1.461 0.001 A 551 LYS C C 13 176.416 0.046 A 551 LYS CA C 13 56.701 0.288 A 551 LYS CB C 13 33.320 0.113 A 551 LYS CD C 13 29.379 0.007 A 551 LYS CE C 13 42.353 0.138 A 551 LYS CG C 13 25.465 0.266 A 551 LYS N N 15 123.331 0.094 A 552 ARG H H 1 8.599 0.005 A 552 ARG HA H 1 4.395 0.011 A 552 ARG HBx H 1 1.877 0.007 A 552 ARG HBy H 1 1.877 0.007 A 552 ARG HDx H 1 3.251 0.008 A 552 ARG HDy H 1 3.251 0.008 A 552 ARG HGx H 1 1.723 0.000 A 552 ARG HGy H 1 1.723 0.000 A 552 ARG C C 13 176.770 0.028 A 552 ARG CA C 13 56.739 0.138 A 552 ARG CB C 13 31.291 0.088 A 552 ARG CD C 13 43.534 0.101 A 552 ARG CG C 13 27.457 0.154 A 552 ARG N N 15 123.502 0.118 A 553 GLY H H 1 8.647 0.005 A 553 GLY HAx H 1 4.075 0.018 A 553 GLY HAy H 1 4.108 0.004 A 553 GLY C C 13 174.385 0.021 A 553 GLY CA C 13 45.649 0.167 A 553 GLY N N 15 110.826 0.086 A 554 THR H H 1 8.151 0.012 A 554 THR HA H 1 4.359 0.011 A 554 THR HB H 1 4.306 0.006 A 554 THR HG2% H 1 1.261 0.019 A 554 THR C C 13 174.718 0.009 A 554 THR CA C 13 62.181 0.206 A 554 THR CB C 13 69.968 0.113 A 554 THR CG2 C 13 21.920 0.000 A 554 THR N N 15 113.264 0.085 A 555 GLU H H 1 8.655 0.007 A 555 GLU HA H 1 4.306 0.000 A 555 GLU HBx H 1 2.044 0.011 A 555 GLU HBy H 1 2.044 0.011 A 555 GLU HGx H 1 2.304 0.002 A 555 GLU HGy H 1 2.304 0.002 A 555 GLU C C 13 176.238 0.008 A 555 GLU CA C 13 57.117 0.168 A 555 GLU CB C 13 30.538 0.070 A 555 GLU CG C 13 36.587 0.198 A 555 GLU N N 15 123.807 0.055 A 556 LYS H H 1 8.385 0.002 A 556 LYS HA H 1 4.327 0.019 A 556 LYS HBx H 1 1.786 0.023 A 556 LYS HBy H 1 1.786 0.023 A 556 LYS HDx H 1 1.698 0.001 A 556 LYS HDy H 1 1.698 0.001 A 556 LYS HEx H 1 3.011 0.007 A 556 LYS HEy H 1 3.011 0.007 A 556 LYS HGx H 1 1.448 0.002 A 556 LYS HGy H 1 1.448 0.002 A 556 LYS C C 13 176.089 0.022 A 556 LYS CA C 13 56.588 0.209 A 556 LYS CB C 13 33.352 0.113 A 556 LYS CD C 13 29.407 0.042 A 556 LYS CE C 13 42.348 0.079 A 556 LYS CG C 13 25.204 0.052 A 556 LYS N N 15 122.532 0.057 A 557 LEU H H 1 8.291 0.002 A 557 LEU HA H 1 4.408 0.020 A 557 LEU HBy H 1 1.642 0.029 A 557 LEU HBx H 1 1.623 0.012 A 557 LEU HD1% H 1 0.920 0.014 A 557 LEU HD2% H 1 0.930 0.000 A 557 LEU HG H 1 1.595 0.010 A 557 LEU C C 13 176.913 0.007 A 557 LEU CA C 13 55.429 0.150 A 557 LEU CB C 13 42.668 0.130 A 557 LEU CDy C 13 24.840 0.176 A 557 LEU CDx C 13 24.122 0.000 A 557 LEU CG C 13 27.432 0.121 A 557 LEU N N 15 124.079 0.077 A 558 ILE H H 1 8.289 0.014 A 558 ILE HA H 1 4.285 0.011 A 558 ILE HB H 1 1.919 0.005 A 558 ILE HD1% H 1 0.902 0.009 A 558 ILE HG1y H 1 1.523 0.009 A 558 ILE HG1x H 1 1.245 0.005 A 558 ILE HG2% H 1 0.940 0.009 A 558 ILE C C 13 176.228 0.000 A 558 ILE CA C 13 61.181 0.091 A 558 ILE CB C 13 38.963 0.043 A 558 ILE CD1 C 13 13.040 0.134 A 558 ILE CG1 C 13 27.539 0.000 A 558 ILE CG2 C 13 17.921 0.079 A 558 ILE N N 15 123.091 0.156 A 559 THR H H 1 8.292 0.002 A 559 THR HA H 1 4.371 0.019 A 559 THR HB H 1 4.262 0.037 A 559 THR HG2% H 1 1.220 0.017 A 559 THR CA C 13 62.023 0.248 A 559 THR CB C 13 70.098 0.162 A 559 THR CG2 C 13 21.937 0.034 A 559 THR N N 15 119.455 0.070 A 560 LYS H H 1 8.367 0.002 A 560 LYS HA H 1 4.353 0.022 A 560 LYS HBx H 1 1.809 0.012 A 560 LYS HBy H 1 1.809 0.012 A 560 LYS HDx H 1 1.719 0.021 A 560 LYS HDy H 1 1.719 0.021 A 560 LYS HEx H 1 3.011 0.020 A 560 LYS HEy H 1 3.011 0.020 A 560 LYS HGx H 1 1.472 0.018 A 560 LYS HGy H 1 1.472 0.018 A 560 LYS CA C 13 56.594 0.164 A 560 LYS CB C 13 33.525 0.076 A 560 LYS CD C 13 29.421 0.054 A 560 LYS CE C 13 42.343 0.099 A 560 LYS CG C 13 25.012 0.111 A 560 LYS N N 15 124.959 0.079 A 561 ALA H H 1 8.092 0.003 A 561 ALA HA H 1 4.372 0.009 A 561 ALA HB% H 1 1.395 0.000 A 561 ALA CA C 13 53.207 0.000 A 561 ALA CB C 13 19.671 0.000 A 561 ALA N N 15 132.022 0.053 stop_ save_ save_CNS/XPLOR_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_5 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.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 ppm 1H 12.3984 'not observed' 2 ppm 13C 67.9999 'not observed' 3 ppm 1H 12.40 'not observed' 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.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 ppm 1H 13.0183 'not observed' 2 ppm 15N 34 'not observed' 3 ppm 1H 13 'not observed' stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 ppm 1H 12.3984 'not observed' 2 ppm 13C 49.9998 'not observed' 3 ppm 1H 12.40 'not observed' stop_ save_