data_nef_c19213_2m7u 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 BMRB 19214 PDB 4FOF PDB 4GLQ stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 94 CYS SG 2 1 VRB C02 1 66 CYS SG 2 1 VRB C16 stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 429 MET start . . 2 A 430 ALA middle . . 3 A 431 ALA middle . . 4 A 432 VAL middle . . 5 A 433 GLN middle . . 6 A 434 LEU middle . . 7 A 435 SER middle . . 8 A 436 GLU middle . . 9 A 437 LEU middle . . 10 A 438 ARG middle . . 11 A 439 ASP middle . . 12 A 440 ARG middle . . 13 A 441 GLN middle . . 14 A 442 ALA middle . . 15 A 443 ILE middle . . 16 A 444 PHE middle . . 17 A 445 GLU middle . . 18 A 446 THR middle . . 19 A 447 LEU middle . . 20 A 448 VAL middle . . 21 A 449 ALA middle . . 22 A 450 LYS middle . . 23 A 451 GLY middle . false 24 A 452 ARG middle . . 25 A 453 GLU middle . . 26 A 454 LEU middle . . 27 A 455 LEU middle . . 28 A 456 ALA middle . . 29 A 457 CYS middle . . 30 A 458 ASP middle . . 31 A 459 ARG middle . . 32 A 460 VAL middle . . 33 A 461 ILE middle . . 34 A 462 VAL middle . . 35 A 463 TYR middle . . 36 A 464 ALA middle . . 37 A 465 PHE middle . . 38 A 466 ASP middle . . 39 A 467 ASP middle . . 40 A 468 ASN middle . . 41 A 469 TYR middle . . 42 A 470 VAL middle . . 43 A 471 GLY middle . false 44 A 472 THR middle . . 45 A 473 VAL middle . . 46 A 474 VAL middle . . 47 A 475 ALA middle . . 48 A 476 GLU middle . . 49 A 477 SER middle . . 50 A 478 VAL middle . . 51 A 479 ALA middle . . 52 A 480 GLU middle . . 53 A 481 GLY middle . false 54 A 482 TRP middle . . 55 A 483 PRO middle . false 56 A 484 GLN middle . . 57 A 485 ALA middle . . 58 A 486 ARG middle . . 59 A 487 ASP middle . . 60 A 488 GLN middle . . 61 A 489 VAL middle . . 62 A 490 ILE middle . . 63 A 491 GLU middle . . 64 A 492 ASP middle . . 65 A 493 PRO middle . false 66 A 494 CYS middle -HG . 67 A 495 PHE middle . . 68 A 496 ARG middle . . 69 A 497 GLU middle . . 70 A 498 HIS middle . . 71 A 499 TRP middle . . 72 A 500 VAL middle . . 73 A 501 GLU middle . . 74 A 502 ALA middle . . 75 A 503 TYR middle . . 76 A 504 ARG middle . . 77 A 505 GLN middle . . 78 A 506 GLY middle . false 79 A 507 ARG middle . . 80 A 508 ILE middle . . 81 A 509 GLN middle . . 82 A 510 ALA middle . . 83 A 511 THR middle . . 84 A 512 THR middle . . 85 A 513 ASP middle . . 86 A 514 ILE middle . . 87 A 515 PHE middle . . 88 A 516 LYS middle . . 89 A 517 ALA middle . . 90 A 518 GLY middle . false 91 A 519 LEU middle . . 92 A 520 THR middle . . 93 A 521 GLU middle . . 94 A 522 CYS middle -HG . 95 A 523 HIS middle . . 96 A 524 LEU middle . . 97 A 525 ASN middle . . 98 A 526 GLN middle . . 99 A 527 LEU middle . . 100 A 528 ARG middle . . 101 A 529 PRO middle . false 102 A 530 LEU middle . . 103 A 531 LYS middle . . 104 A 532 VAL middle . . 105 A 533 ARG middle . . 106 A 534 ALA middle . . 107 A 535 ASN middle . . 108 A 536 LEU middle . . 109 A 537 VAL middle . . 110 A 538 VAL middle . . 111 A 539 PRO middle . false 112 A 540 MET middle . . 113 A 541 VAL middle . . 114 A 542 ILE middle . . 115 A 543 ASP middle . . 116 A 544 ASP middle . . 117 A 545 GLN middle . . 118 A 546 LEU middle . . 119 A 547 PHE middle . . 120 A 548 GLY middle . false 121 A 549 LEU middle . . 122 A 550 LEU middle . . 123 A 551 ILE middle . . 124 A 552 ALA middle . . 125 A 553 HIS middle . . 126 A 554 GLN middle . . 127 A 555 ALA middle . . 128 A 556 SER middle . . 129 A 557 GLU middle . . 130 A 558 PRO middle . false 131 A 559 ARG middle . . 132 A 560 GLN middle . . 133 A 561 TRP middle . . 134 A 562 GLN middle . . 135 A 563 GLU middle . . 136 A 564 ILE middle . . 137 A 565 GLU middle . . 138 A 566 ILE middle . . 139 A 567 ASP middle . . 140 A 568 GLN middle . . 141 A 569 PHE middle . . 142 A 570 SER middle . . 143 A 571 GLU middle . . 144 A 572 LEU middle . . 145 A 573 ALA middle . . 146 A 574 SER middle . . 147 A 575 THR middle . . 148 A 576 GLY middle . false 149 A 577 SER middle . . 150 A 578 LEU middle . . 151 A 579 VAL middle . . 152 A 580 LEU middle . . 153 A 581 GLU middle . . 154 A 582 ARG middle . . 155 A 583 LEU middle . . 156 A 584 HIS middle . . 157 A 585 PHE middle . . 158 A 586 LEU middle . . 159 A 587 GLU middle . . 160 A 588 GLN middle . . 161 A 589 THR middle . . 162 A 590 ILE middle . . 163 A 591 ALA middle . . 164 A 592 SER middle . . 165 A 593 LEU end . . 166 B 1 VRB . . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 429 MET HA H 1 4.824 0.04 A 429 MET HB2 H 1 1.880 0.04 A 429 MET HB3 H 1 1.793 0.04 A 429 MET HG2 H 1 2.071 0.04 A 429 MET HG3 H 1 2.141 0.04 A 429 MET C C 13 173.374 0.25 A 429 MET CA C 13 54.314 0.25 A 429 MET CB C 13 32.536 0.25 A 429 MET CG C 13 34.148 0.25 A 430 ALA H H 1 8.772 0.04 A 430 ALA CA C 13 51.092 0.25 A 430 ALA CB C 13 21.474 0.25 A 430 ALA N N 15 132.375 0.25 A 431 ALA H H 1 8.180 0.04 A 431 ALA HA H 1 4.346 0.04 A 431 ALA HB% H 1 1.341 0.04 A 431 ALA C C 13 177.537 0.25 A 431 ALA CA C 13 52.341 0.25 A 431 ALA CB C 13 19.209 0.25 A 431 ALA N N 15 117.710 0.25 A 432 VAL H H 1 8.191 0.04 A 432 VAL HA H 1 4.045 0.04 A 432 VAL HB H 1 1.954 0.04 A 432 VAL HG1% H 1 0.900 0.04 A 432 VAL HG2% H 1 0.860 0.04 A 432 VAL C C 13 175.692 0.25 A 432 VAL CA C 13 62.172 0.25 A 432 VAL CB C 13 33.029 0.25 A 432 VAL CG1 C 13 21.102 0.25 A 432 VAL N N 15 120.378 0.25 A 433 GLN H H 1 8.525 0.04 A 433 GLN HE21 H 1 7.520 0.04 A 433 GLN HE22 H 1 6.860 0.04 A 433 GLN CA C 13 54.855 0.25 A 433 GLN CB C 13 29.530 0.25 A 433 GLN CG C 13 33.500 0.25 A 433 GLN N N 15 124.398 0.25 A 433 GLN NE2 N 15 112.700 0.25 A 435 SER HA H 1 4.074 0.04 A 435 SER HB2 H 1 3.793 0.04 A 435 SER HB3 H 1 3.964 0.04 A 435 SER C C 13 178.865 0.25 A 435 SER CA C 13 60.402 0.25 A 435 SER CB C 13 62.858 0.25 A 436 GLU H H 1 7.847 0.04 A 436 GLU HA H 1 4.309 0.04 A 436 GLU HB2 H 1 1.990 0.04 A 436 GLU HB3 H 1 2.154 0.04 A 436 GLU HG3 H 1 2.199 0.04 A 436 GLU C C 13 176.654 0.25 A 436 GLU CA C 13 56.095 0.25 A 436 GLU CB C 13 30.278 0.25 A 436 GLU CG C 13 36.710 0.25 A 436 GLU N N 15 119.935 0.25 A 437 LEU H H 1 7.349 0.04 A 437 LEU CA C 13 55.492 0.25 A 437 LEU CB C 13 43.512 0.25 A 437 LEU N N 15 120.616 0.25 A 440 ARG HA H 1 3.274 0.04 A 440 ARG HB2 H 1 1.394 0.04 A 440 ARG HB3 H 1 1.526 0.04 A 440 ARG HD3 H 1 3.130 0.04 A 440 ARG HE H 1 7.540 0.04 A 440 ARG HG2 H 1 1.081 0.04 A 440 ARG HG3 H 1 1.330 0.04 A 440 ARG C C 13 175.983 0.25 A 440 ARG CA C 13 60.018 0.25 A 440 ARG CB C 13 30.268 0.25 A 440 ARG CD C 13 43.500 0.25 A 440 ARG CG C 13 28.041 0.25 A 441 GLN H H 1 8.079 0.04 A 441 GLN HA H 1 3.804 0.04 A 441 GLN HB2 H 1 2.041 0.04 A 441 GLN HB3 H 1 2.252 0.04 A 441 GLN HE21 H 1 8.260 0.04 A 441 GLN HE22 H 1 7.110 0.04 A 441 GLN HG2 H 1 2.510 0.04 A 441 GLN HG3 H 1 2.560 0.04 A 441 GLN C C 13 178.030 0.25 A 441 GLN CA C 13 58.764 0.25 A 441 GLN CB C 13 27.434 0.25 A 441 GLN CG C 13 33.207 0.25 A 441 GLN N N 15 117.801 0.25 A 441 GLN NE2 N 15 112.600 0.25 A 442 ALA H H 1 7.914 0.04 A 442 ALA HA H 1 4.123 0.04 A 442 ALA HB% H 1 1.505 0.04 A 442 ALA C C 13 181.577 0.25 A 442 ALA CA C 13 54.940 0.25 A 442 ALA CB C 13 18.705 0.25 A 442 ALA N N 15 120.194 0.25 A 443 ILE H H 1 7.663 0.04 A 443 ILE HA H 1 3.445 0.04 A 443 ILE HB H 1 1.793 0.04 A 443 ILE HD1% H 1 0.540 0.04 A 443 ILE HG12 H 1 0.919 0.04 A 443 ILE HG13 H 1 1.205 0.04 A 443 ILE HG2% H 1 0.618 0.04 A 443 ILE C C 13 177.663 0.25 A 443 ILE CA C 13 65.907 0.25 A 443 ILE CB C 13 37.169 0.25 A 443 ILE CD1 C 13 14.700 0.25 A 443 ILE CG1 C 13 30.840 0.25 A 443 ILE CG2 C 13 16.409 0.25 A 443 ILE N N 15 120.712 0.25 A 444 PHE H H 1 8.077 0.04 A 444 PHE HA H 1 4.311 0.04 A 444 PHE HB2 H 1 2.991 0.04 A 444 PHE HB3 H 1 3.313 0.04 A 444 PHE HD2 H 1 6.950 0.04 A 444 PHE HE2 H 1 7.090 0.04 A 444 PHE HZ H 1 7.110 0.04 A 444 PHE C C 13 178.273 0.25 A 444 PHE CA C 13 58.956 0.25 A 444 PHE CB C 13 38.154 0.25 A 444 PHE CD2 C 13 129.600 0.25 A 444 PHE CE2 C 13 131.500 0.25 A 444 PHE CZ C 13 129.800 0.25 A 444 PHE N N 15 119.033 0.25 A 445 GLU H H 1 8.746 0.04 A 445 GLU HA H 1 4.399 0.04 A 445 GLU HB2 H 1 2.170 0.04 A 445 GLU HB3 H 1 1.961 0.04 A 445 GLU HG2 H 1 2.560 0.04 A 445 GLU HG3 H 1 2.780 0.04 A 445 GLU C C 13 179.822 0.25 A 445 GLU CA C 13 58.472 0.25 A 445 GLU CB C 13 28.797 0.25 A 445 GLU CG C 13 35.503 0.25 A 445 GLU N N 15 115.469 0.25 A 446 THR H H 1 8.139 0.04 A 446 THR HA H 1 4.067 0.04 A 446 THR HB H 1 4.136 0.04 A 446 THR HG2% H 1 1.168 0.04 A 446 THR C C 13 175.802 0.25 A 446 THR CA C 13 66.959 0.25 A 446 THR CB C 13 68.289 0.25 A 446 THR CG2 C 13 21.727 0.25 A 446 THR N N 15 117.987 0.25 A 447 LEU H H 1 8.608 0.04 A 447 LEU HA H 1 3.874 0.04 A 447 LEU HB2 H 1 1.409 0.04 A 447 LEU HB3 H 1 1.902 0.04 A 447 LEU HD1% H 1 0.760 0.04 A 447 LEU HD2% H 1 0.730 0.04 A 447 LEU HG H 1 1.770 0.04 A 447 LEU C C 13 179.377 0.25 A 447 LEU CA C 13 58.858 0.25 A 447 LEU CB C 13 42.709 0.25 A 447 LEU CD1 C 13 25.788 0.25 A 447 LEU CD2 C 13 24.830 0.25 A 447 LEU CG C 13 26.500 0.25 A 447 LEU N N 15 122.061 0.25 A 448 VAL H H 1 7.783 0.04 A 448 VAL HA H 1 3.973 0.04 A 448 VAL HB H 1 1.999 0.04 A 448 VAL HG1% H 1 0.812 0.04 A 448 VAL HG2% H 1 1.052 0.04 A 448 VAL C C 13 177.414 0.25 A 448 VAL CA C 13 64.624 0.25 A 448 VAL CB C 13 29.895 0.25 A 448 VAL CG1 C 13 24.798 0.25 A 448 VAL CG2 C 13 20.496 0.25 A 448 VAL N N 15 108.293 0.25 A 449 ALA H H 1 7.477 0.04 A 449 ALA HA H 1 4.291 0.04 A 449 ALA HB% H 1 1.601 0.04 A 449 ALA C C 13 181.177 0.25 A 449 ALA CA C 13 55.144 0.25 A 449 ALA CB C 13 18.558 0.25 A 449 ALA N N 15 124.901 0.25 A 450 LYS H H 1 8.835 0.04 A 450 LYS HA H 1 4.194 0.04 A 450 LYS HB2 H 1 1.864 0.04 A 450 LYS HB3 H 1 2.017 0.04 A 450 LYS HD3 H 1 1.670 0.04 A 450 LYS HE2 H 1 2.920 0.04 A 450 LYS HE3 H 1 2.980 0.04 A 450 LYS HG3 H 1 1.612 0.04 A 450 LYS C C 13 180.027 0.25 A 450 LYS CA C 13 58.274 0.25 A 450 LYS CB C 13 31.673 0.25 A 450 LYS CD C 13 28.501 0.25 A 450 LYS CE C 13 42.072 0.25 A 450 LYS CG C 13 25.218 0.25 A 450 LYS N N 15 118.438 0.25 A 451 GLY H H 1 8.765 0.04 A 451 GLY HA2 H 1 3.617 0.04 A 451 GLY HA3 H 1 3.813 0.04 A 451 GLY C C 13 173.706 0.25 A 451 GLY CA C 13 47.992 0.25 A 451 GLY N N 15 108.035 0.25 A 452 ARG H H 1 8.272 0.04 A 452 ARG HA H 1 4.080 0.04 A 452 ARG HB2 H 1 1.510 0.04 A 452 ARG HB3 H 1 1.640 0.04 A 452 ARG HD3 H 1 2.880 0.04 A 452 ARG HE H 1 7.400 0.04 A 452 ARG HG2 H 1 1.750 0.04 A 452 ARG HG3 H 1 2.170 0.04 A 452 ARG C C 13 178.863 0.25 A 452 ARG CA C 13 60.572 0.25 A 452 ARG CB C 13 30.407 0.25 A 452 ARG CD C 13 43.740 0.25 A 452 ARG CG C 13 30.400 0.25 A 452 ARG N N 15 122.460 0.25 A 452 ARG NE N 15 82.800 0.25 A 453 GLU H H 1 7.894 0.04 A 453 GLU HA H 1 4.096 0.04 A 453 GLU HB3 H 1 2.191 0.04 A 453 GLU HG2 H 1 2.230 0.04 A 453 GLU HG3 H 1 2.400 0.04 A 453 GLU C C 13 178.778 0.25 A 453 GLU CA C 13 59.023 0.25 A 453 GLU CB C 13 30.241 0.25 A 453 GLU CG C 13 36.218 0.25 A 453 GLU N N 15 119.784 0.25 A 454 LEU H H 1 8.328 0.04 A 454 LEU HA H 1 4.171 0.04 A 454 LEU HB2 H 1 1.743 0.04 A 454 LEU HB3 H 1 1.915 0.04 A 454 LEU HD1% H 1 0.965 0.04 A 454 LEU HD2% H 1 0.910 0.04 A 454 LEU HG H 1 1.840 0.04 A 454 LEU C C 13 178.457 0.25 A 454 LEU CA C 13 57.869 0.25 A 454 LEU CB C 13 42.922 0.25 A 454 LEU CD1 C 13 25.343 0.25 A 454 LEU CD2 C 13 24.222 0.25 A 454 LEU CG C 13 26.897 0.25 A 454 LEU N N 15 119.313 0.25 A 455 LEU H H 1 7.424 0.04 A 455 LEU HA H 1 4.380 0.04 A 455 LEU HB2 H 1 1.357 0.04 A 455 LEU HB3 H 1 1.825 0.04 A 455 LEU HD1% H 1 0.693 0.04 A 455 LEU HG H 1 -0.042 0.04 A 455 LEU C C 13 176.795 0.25 A 455 LEU CA C 13 54.643 0.25 A 455 LEU CB C 13 43.897 0.25 A 455 LEU CD1 C 13 22.510 0.25 A 455 LEU CG C 13 26.861 0.25 A 455 LEU N N 15 113.192 0.25 A 456 ALA H H 1 8.573 0.04 A 456 ALA HA H 1 4.244 0.04 A 456 ALA HB% H 1 1.462 0.04 A 456 ALA C C 13 177.051 0.25 A 456 ALA CA C 13 52.975 0.25 A 456 ALA CB C 13 16.514 0.25 A 456 ALA N N 15 124.175 0.25 A 457 CYS H H 1 7.000 0.04 A 457 CYS HA H 1 5.592 0.04 A 457 CYS HB2 H 1 2.564 0.04 A 457 CYS HB3 H 1 3.714 0.04 A 457 CYS C C 13 172.935 0.25 A 457 CYS CA C 13 54.876 0.25 A 457 CYS CB C 13 29.887 0.25 A 457 CYS N N 15 111.282 0.25 A 458 ASP H H 1 7.265 0.04 A 458 ASP HA H 1 4.834 0.04 A 458 ASP HB2 H 1 1.892 0.04 A 458 ASP HB3 H 1 2.062 0.04 A 458 ASP C C 13 175.463 0.25 A 458 ASP CA C 13 57.972 0.25 A 458 ASP CB C 13 42.753 0.25 A 458 ASP N N 15 117.373 0.25 A 459 ARG H H 1 8.099 0.04 A 459 ARG HA H 1 5.511 0.04 A 459 ARG HB2 H 1 1.836 0.04 A 459 ARG HB3 H 1 1.948 0.04 A 459 ARG HD3 H 1 3.700 0.04 A 459 ARG HE H 1 6.360 0.04 A 459 ARG HG2 H 1 1.360 0.04 A 459 ARG HG3 H 1 1.860 0.04 A 459 ARG HH11 H 1 8.880 0.04 A 459 ARG HH12 H 1 7.000 0.04 A 459 ARG HH21 H 1 9.540 0.04 A 459 ARG HH22 H 1 5.640 0.04 A 459 ARG C C 13 174.652 0.25 A 459 ARG CA C 13 55.593 0.25 A 459 ARG CB C 13 35.294 0.25 A 459 ARG CD C 13 43.700 0.25 A 459 ARG CG C 13 30.144 0.25 A 459 ARG N N 15 117.328 0.25 A 459 ARG NE N 15 83.200 0.25 A 459 ARG NH1 N 15 73.200 0.25 A 459 ARG NH2 N 15 74.100 0.25 A 460 VAL H H 1 9.215 0.04 A 460 VAL HA H 1 5.182 0.04 A 460 VAL HB H 1 2.129 0.04 A 460 VAL HG1% H 1 1.047 0.04 A 460 VAL HG2% H 1 0.761 0.04 A 460 VAL C C 13 174.538 0.25 A 460 VAL CA C 13 61.684 0.25 A 460 VAL CB C 13 35.157 0.25 A 460 VAL CG1 C 13 22.800 0.25 A 460 VAL CG2 C 13 23.300 0.25 A 460 VAL N N 15 127.029 0.25 A 461 ILE H H 1 9.051 0.04 A 461 ILE HA H 1 5.269 0.04 A 461 ILE HB H 1 1.925 0.04 A 461 ILE HD1% H 1 0.580 0.04 A 461 ILE HG13 H 1 1.257 0.04 A 461 ILE HG2% H 1 0.765 0.04 A 461 ILE C C 13 174.436 0.25 A 461 ILE CA C 13 58.897 0.25 A 461 ILE CB C 13 41.973 0.25 A 461 ILE CD1 C 13 13.910 0.25 A 461 ILE CG1 C 13 25.565 0.25 A 461 ILE CG2 C 13 18.590 0.25 A 461 ILE N N 15 118.191 0.25 A 462 VAL H H 1 7.266 0.04 A 462 VAL HA H 1 4.218 0.04 A 462 VAL HB H 1 1.413 0.04 A 462 VAL HG1% H 1 0.726 0.04 A 462 VAL HG2% H 1 0.304 0.04 A 462 VAL C C 13 173.040 0.25 A 462 VAL CA C 13 62.382 0.25 A 462 VAL CB C 13 33.016 0.25 A 462 VAL CG1 C 13 21.364 0.25 A 462 VAL CG2 C 13 21.000 0.25 A 462 VAL N N 15 119.036 0.25 A 463 TYR H H 1 8.796 0.04 A 463 TYR HA H 1 4.634 0.04 A 463 TYR HB2 H 1 2.067 0.04 A 463 TYR HB3 H 1 2.649 0.04 A 463 TYR HD1 H 1 6.130 0.04 A 463 TYR HE1 H 1 6.370 0.04 A 463 TYR C C 13 172.062 0.25 A 463 TYR CA C 13 54.971 0.25 A 463 TYR CB C 13 40.572 0.25 A 463 TYR CD1 C 13 132.200 0.25 A 463 TYR CE1 C 13 118.000 0.25 A 463 TYR N N 15 131.813 0.25 A 464 ALA H H 1 8.423 0.04 A 464 ALA HA H 1 3.810 0.04 A 464 ALA HB% H 1 0.786 0.04 A 464 ALA C C 13 176.605 0.25 A 464 ALA CA C 13 50.931 0.25 A 464 ALA CB C 13 21.945 0.25 A 464 ALA N N 15 127.309 0.25 A 465 PHE H H 1 7.687 0.04 A 465 PHE HA H 1 4.635 0.04 A 465 PHE HB2 H 1 2.482 0.04 A 465 PHE HB3 H 1 2.970 0.04 A 465 PHE HD2 H 1 6.510 0.04 A 465 PHE HE2 H 1 6.630 0.04 A 465 PHE HZ H 1 5.690 0.04 A 465 PHE C C 13 176.576 0.25 A 465 PHE CA C 13 57.430 0.25 A 465 PHE CB C 13 41.434 0.25 A 465 PHE CD2 C 13 130.100 0.25 A 465 PHE CE2 C 13 131.300 0.25 A 465 PHE CZ C 13 128.200 0.25 A 465 PHE N N 15 119.567 0.25 A 466 ASP H H 1 7.829 0.04 A 466 ASP HA H 1 4.699 0.04 A 466 ASP HB2 H 1 2.638 0.04 A 466 ASP HB3 H 1 3.200 0.04 A 466 ASP C C 13 178.481 0.25 A 466 ASP CA C 13 51.837 0.25 A 466 ASP CB C 13 40.950 0.25 A 466 ASP N N 15 120.914 0.25 A 467 ASP H H 1 8.138 0.04 A 467 ASP HA H 1 4.018 0.04 A 467 ASP HB2 H 1 2.520 0.04 A 467 ASP HB3 H 1 2.570 0.04 A 467 ASP C C 13 176.022 0.25 A 467 ASP CA C 13 56.052 0.25 A 467 ASP CB C 13 40.144 0.25 A 467 ASP N N 15 115.889 0.25 A 468 ASN H H 1 8.076 0.04 A 468 ASN HA H 1 4.954 0.04 A 468 ASN HB2 H 1 2.526 0.04 A 468 ASN HB3 H 1 2.869 0.04 A 468 ASN HD21 H 1 7.770 0.04 A 468 ASN HD22 H 1 6.810 0.04 A 468 ASN C C 13 174.155 0.25 A 468 ASN CA C 13 52.052 0.25 A 468 ASN CB C 13 39.733 0.25 A 468 ASN N N 15 116.903 0.25 A 468 ASN ND2 N 15 113.800 0.25 A 469 TYR H H 1 7.785 0.04 A 469 TYR HA H 1 3.249 0.04 A 469 TYR HB2 H 1 2.513 0.04 A 469 TYR HB3 H 1 2.752 0.04 A 469 TYR HD1 H 1 5.950 0.04 A 469 TYR HE1 H 1 6.620 0.04 A 469 TYR C C 13 175.377 0.25 A 469 TYR CA C 13 61.891 0.25 A 469 TYR CB C 13 34.352 0.25 A 469 TYR CD1 C 13 131.900 0.25 A 469 TYR CE1 C 13 118.500 0.25 A 469 TYR N N 15 112.788 0.25 A 470 VAL H H 1 8.666 0.04 A 470 VAL HA H 1 4.010 0.04 A 470 VAL HB H 1 2.240 0.04 A 470 VAL HG1% H 1 0.870 0.04 A 470 VAL HG2% H 1 0.690 0.04 A 470 VAL CA C 13 63.699 0.25 A 470 VAL CB C 13 30.721 0.25 A 470 VAL CG1 C 13 21.100 0.25 A 470 VAL N N 15 122.718 0.25 A 471 GLY HA3 H 1 4.191 0.04 A 471 GLY C C 13 170.959 0.25 A 471 GLY CA C 13 43.674 0.25 A 472 THR H H 1 8.150 0.04 A 472 THR HA H 1 4.931 0.04 A 472 THR HB H 1 3.520 0.04 A 472 THR HG2% H 1 0.820 0.04 A 472 THR C C 13 174.282 0.25 A 472 THR CA C 13 61.142 0.25 A 472 THR CB C 13 70.941 0.25 A 472 THR CG2 C 13 20.627 0.25 A 472 THR N N 15 118.003 0.25 A 473 VAL H H 1 8.740 0.04 A 473 VAL HA H 1 4.552 0.04 A 473 VAL HB H 1 2.515 0.04 A 473 VAL HG1% H 1 0.763 0.04 A 473 VAL HG2% H 1 0.968 0.04 A 473 VAL C C 13 175.472 0.25 A 473 VAL CA C 13 62.066 0.25 A 473 VAL CB C 13 29.572 0.25 A 473 VAL CG1 C 13 22.325 0.25 A 473 VAL CG2 C 13 20.864 0.25 A 473 VAL N N 15 126.802 0.25 A 474 VAL H H 1 7.753 0.04 A 474 VAL HA H 1 4.394 0.04 A 474 VAL HB H 1 2.285 0.04 A 474 VAL HG1% H 1 0.745 0.04 A 474 VAL HG2% H 1 0.264 0.04 A 474 VAL C C 13 175.653 0.25 A 474 VAL CA C 13 62.168 0.25 A 474 VAL CB C 13 32.041 0.25 A 474 VAL CG1 C 13 22.063 0.25 A 474 VAL CG2 C 13 19.229 0.25 A 474 VAL N N 15 122.729 0.25 A 475 ALA H H 1 7.366 0.04 A 475 ALA HA H 1 4.493 0.04 A 475 ALA HB% H 1 1.228 0.04 A 475 ALA C C 13 174.317 0.25 A 475 ALA CA C 13 52.144 0.25 A 475 ALA CB C 13 23.434 0.25 A 475 ALA N N 15 117.768 0.25 A 476 GLU H H 1 8.455 0.04 A 476 GLU HA H 1 5.143 0.04 A 476 GLU HB2 H 1 1.630 0.04 A 476 GLU HB3 H 1 1.970 0.04 A 476 GLU HG3 H 1 1.857 0.04 A 476 GLU C C 13 173.452 0.25 A 476 GLU CA C 13 55.216 0.25 A 476 GLU CB C 13 36.288 0.25 A 476 GLU CG C 13 37.512 0.25 A 476 GLU N N 15 122.294 0.25 A 477 SER H H 1 8.867 0.04 A 477 SER HA H 1 4.910 0.04 A 477 SER HB3 H 1 3.592 0.04 A 477 SER C C 13 173.417 0.25 A 477 SER CA C 13 56.576 0.25 A 477 SER CB C 13 63.836 0.25 A 477 SER N N 15 121.014 0.25 A 478 VAL H H 1 9.143 0.04 A 478 VAL HA H 1 5.361 0.04 A 478 VAL HB H 1 2.077 0.04 A 478 VAL HG1% H 1 1.402 0.04 A 478 VAL HG2% H 1 1.000 0.04 A 478 VAL C C 13 172.729 0.25 A 478 VAL CA C 13 58.657 0.25 A 478 VAL CB C 13 35.971 0.25 A 478 VAL CG1 C 13 21.585 0.25 A 478 VAL CG2 C 13 18.830 0.25 A 478 VAL N N 15 128.791 0.25 A 479 ALA H H 1 8.632 0.04 A 479 ALA HA H 1 4.373 0.04 A 479 ALA HB% H 1 1.837 0.04 A 479 ALA C C 13 176.732 0.25 A 479 ALA CA C 13 52.231 0.25 A 479 ALA CB C 13 20.053 0.25 A 479 ALA N N 15 129.671 0.25 A 480 GLU H H 1 8.558 0.04 A 480 GLU HA H 1 4.028 0.04 A 480 GLU HB2 H 1 1.929 0.04 A 480 GLU HB3 H 1 1.996 0.04 A 480 GLU HG3 H 1 2.295 0.04 A 480 GLU C C 13 177.151 0.25 A 480 GLU CA C 13 58.179 0.25 A 480 GLU CB C 13 29.797 0.25 A 480 GLU CG C 13 36.265 0.25 A 480 GLU N N 15 120.434 0.25 A 481 GLY H H 1 8.539 0.04 A 481 GLY HA2 H 1 3.401 0.04 A 481 GLY HA3 H 1 3.860 0.04 A 481 GLY C C 13 174.073 0.25 A 481 GLY CA C 13 44.681 0.25 A 481 GLY N N 15 110.914 0.25 A 482 TRP H H 1 7.009 0.04 A 482 TRP HA H 1 5.290 0.04 A 482 TRP HB2 H 1 2.910 0.04 A 482 TRP HB3 H 1 3.120 0.04 A 482 TRP HD1 H 1 7.140 0.04 A 482 TRP HE1 H 1 9.910 0.04 A 482 TRP HE3 H 1 7.410 0.04 A 482 TRP HH2 H 1 7.100 0.04 A 482 TRP HZ2 H 1 7.430 0.04 A 482 TRP HZ3 H 1 7.020 0.04 A 482 TRP CA C 13 53.659 0.25 A 482 TRP CB C 13 29.487 0.25 A 482 TRP CD1 C 13 128.300 0.25 A 482 TRP CE3 C 13 120.100 0.25 A 482 TRP CH2 C 13 124.500 0.25 A 482 TRP CZ2 C 13 115.100 0.25 A 482 TRP CZ3 C 13 122.000 0.25 A 482 TRP N N 15 119.508 0.25 A 482 TRP NE1 N 15 127.700 0.25 A 483 PRO HA H 1 4.426 0.04 A 483 PRO HB2 H 1 1.722 0.04 A 483 PRO HB3 H 1 2.518 0.04 A 483 PRO HG2 H 1 2.210 0.04 A 483 PRO HG3 H 1 2.300 0.04 A 483 PRO C C 13 175.722 0.25 A 483 PRO CA C 13 63.259 0.25 A 483 PRO CB C 13 33.238 0.25 A 483 PRO CG C 13 28.171 0.25 A 484 GLN H H 1 8.646 0.04 A 484 GLN HA H 1 4.936 0.04 A 484 GLN HB2 H 1 2.020 0.04 A 484 GLN HB3 H 1 2.170 0.04 A 484 GLN HE21 H 1 7.700 0.04 A 484 GLN HE22 H 1 6.890 0.04 A 484 GLN HG2 H 1 2.313 0.04 A 484 GLN HG3 H 1 2.480 0.04 A 484 GLN C C 13 176.405 0.25 A 484 GLN CA C 13 55.688 0.25 A 484 GLN CB C 13 29.565 0.25 A 484 GLN CG C 13 34.632 0.25 A 484 GLN N N 15 121.488 0.25 A 484 GLN NE2 N 15 112.400 0.25 A 485 ALA H H 1 11.964 0.04 A 485 ALA HA H 1 4.340 0.04 A 485 ALA HB% H 1 1.293 0.04 A 485 ALA C C 13 176.317 0.25 A 485 ALA CA C 13 51.289 0.25 A 485 ALA CB C 13 20.581 0.25 A 485 ALA N N 15 133.617 0.25 A 486 ARG H H 1 8.235 0.04 A 486 ARG HA H 1 3.300 0.04 A 486 ARG HB2 H 1 2.120 0.04 A 486 ARG HB3 H 1 1.590 0.04 A 486 ARG HD3 H 1 3.370 0.04 A 486 ARG HE H 1 7.820 0.04 A 486 ARG HG2 H 1 1.170 0.04 A 486 ARG HG3 H 1 1.616 0.04 A 486 ARG C C 13 175.502 0.25 A 486 ARG CA C 13 59.200 0.25 A 486 ARG CB C 13 30.648 0.25 A 486 ARG CD C 13 43.100 0.25 A 486 ARG CG C 13 27.962 0.25 A 486 ARG N N 15 119.720 0.25 A 486 ARG NE N 15 85.400 0.25 A 487 ASP H H 1 9.023 0.04 A 487 ASP HA H 1 4.141 0.04 A 487 ASP HB2 H 1 2.807 0.04 A 487 ASP HB3 H 1 3.175 0.04 A 487 ASP C C 13 175.557 0.25 A 487 ASP CA C 13 57.148 0.25 A 487 ASP CB C 13 39.031 0.25 A 487 ASP N N 15 119.936 0.25 A 488 GLN H H 1 8.200 0.04 A 488 GLN HA H 1 4.147 0.04 A 488 GLN HB2 H 1 1.961 0.04 A 488 GLN HB3 H 1 2.132 0.04 A 488 GLN HE21 H 1 7.300 0.04 A 488 GLN HE22 H 1 6.500 0.04 A 488 GLN HG2 H 1 2.297 0.04 A 488 GLN HG3 H 1 2.381 0.04 A 488 GLN C C 13 174.993 0.25 A 488 GLN CA C 13 57.475 0.25 A 488 GLN CB C 13 28.866 0.25 A 488 GLN CG C 13 34.773 0.25 A 488 GLN N N 15 119.954 0.25 A 488 GLN NE2 N 15 110.100 0.25 A 489 VAL H H 1 8.379 0.04 A 489 VAL HA H 1 4.593 0.04 A 489 VAL HB H 1 1.907 0.04 A 489 VAL HG1% H 1 0.953 0.04 A 489 VAL HG2% H 1 0.723 0.04 A 489 VAL C C 13 177.060 0.25 A 489 VAL CA C 13 61.871 0.25 A 489 VAL CB C 13 32.575 0.25 A 489 VAL CG1 C 13 20.863 0.25 A 489 VAL CG2 C 13 20.800 0.25 A 489 VAL N N 15 124.202 0.25 A 490 ILE H H 1 8.952 0.04 A 490 ILE HA H 1 4.433 0.04 A 490 ILE HB H 1 1.836 0.04 A 490 ILE HD1% H 1 0.810 0.04 A 490 ILE HG12 H 1 1.500 0.04 A 490 ILE HG13 H 1 1.110 0.04 A 490 ILE HG2% H 1 0.850 0.04 A 490 ILE C C 13 174.634 0.25 A 490 ILE CA C 13 60.464 0.25 A 490 ILE CB C 13 41.025 0.25 A 490 ILE CD1 C 13 13.643 0.25 A 490 ILE CG1 C 13 26.762 0.25 A 490 ILE CG2 C 13 17.539 0.25 A 490 ILE N N 15 128.772 0.25 A 491 GLU H H 1 9.289 0.04 A 491 GLU HA H 1 4.598 0.04 A 491 GLU HG2 H 1 2.010 0.04 A 491 GLU HG3 H 1 2.137 0.04 A 491 GLU C C 13 174.015 0.25 A 491 GLU CA C 13 55.930 0.25 A 491 GLU CB C 13 28.942 0.25 A 491 GLU CG C 13 36.481 0.25 A 491 GLU N N 15 130.867 0.25 A 492 ASP H H 1 9.437 0.04 A 492 ASP HA H 1 5.210 0.04 A 492 ASP HB2 H 1 2.900 0.04 A 492 ASP HB3 H 1 3.450 0.04 A 492 ASP CA C 13 50.160 0.25 A 492 ASP CB C 13 43.965 0.25 A 492 ASP N N 15 130.401 0.25 A 493 PRO HA H 1 4.359 0.04 A 493 PRO HB2 H 1 1.894 0.04 A 493 PRO HB3 H 1 2.239 0.04 A 493 PRO HD2 H 1 3.610 0.04 A 493 PRO HD3 H 1 3.640 0.04 A 493 PRO HG2 H 1 1.540 0.04 A 493 PRO HG3 H 1 1.800 0.04 A 493 PRO C C 13 176.079 0.25 A 493 PRO CA C 13 63.617 0.25 A 493 PRO CB C 13 33.300 0.25 A 493 PRO CD C 13 51.643 0.25 A 493 PRO CG C 13 26.302 0.25 A 494 CYS H H 1 8.806 0.04 A 494 CYS HA H 1 4.147 0.04 A 494 CYS HB2 H 1 2.415 0.04 A 494 CYS HB3 H 1 3.198 0.04 A 494 CYS C C 13 176.789 0.25 A 494 CYS CA C 13 58.195 0.25 A 494 CYS CB C 13 33.343 0.25 A 494 CYS N N 15 117.251 0.25 A 495 PHE H H 1 6.799 0.04 A 495 PHE HA H 1 4.328 0.04 A 495 PHE HB2 H 1 2.583 0.04 A 495 PHE HB3 H 1 3.385 0.04 A 495 PHE HD2 H 1 7.000 0.04 A 495 PHE HE2 H 1 6.030 0.04 A 495 PHE HZ H 1 6.270 0.04 A 495 PHE C C 13 176.529 0.25 A 495 PHE CA C 13 63.265 0.25 A 495 PHE CB C 13 37.239 0.25 A 495 PHE CD2 C 13 133.200 0.25 A 495 PHE CE2 C 13 129.800 0.25 A 495 PHE N N 15 118.785 0.25 A 496 ARG H H 1 9.000 0.04 A 496 ARG HA H 1 3.692 0.04 A 496 ARG HB2 H 1 1.748 0.04 A 496 ARG HB3 H 1 1.982 0.04 A 496 ARG HD3 H 1 3.310 0.04 A 496 ARG HE H 1 7.350 0.04 A 496 ARG HG2 H 1 1.470 0.04 A 496 ARG HG3 H 1 1.730 0.04 A 496 ARG C C 13 178.119 0.25 A 496 ARG CA C 13 58.495 0.25 A 496 ARG CB C 13 29.942 0.25 A 496 ARG CD C 13 43.566 0.25 A 496 ARG CG C 13 26.888 0.25 A 496 ARG N N 15 118.755 0.25 A 496 ARG NE N 15 84.500 0.25 A 497 GLU H H 1 7.849 0.04 A 497 GLU HA H 1 3.858 0.04 A 497 GLU HB2 H 1 1.440 0.04 A 497 GLU HB3 H 1 1.349 0.04 A 497 GLU HG2 H 1 2.310 0.04 A 497 GLU HG3 H 1 2.003 0.04 A 497 GLU C C 13 177.981 0.25 A 497 GLU CA C 13 58.920 0.25 A 497 GLU CB C 13 29.841 0.25 A 497 GLU CG C 13 36.805 0.25 A 497 GLU N N 15 115.895 0.25 A 498 HIS H H 1 7.717 0.04 A 498 HIS HA H 1 4.710 0.04 A 498 HIS HB2 H 1 1.790 0.04 A 498 HIS HB3 H 1 2.430 0.04 A 498 HIS HE1 H 1 7.980 0.04 A 498 HIS CA C 13 55.904 0.25 A 498 HIS CB C 13 30.890 0.25 A 498 HIS CE1 C 13 137.100 0.25 A 498 HIS N N 15 111.119 0.25 A 499 TRP HA H 1 5.476 0.04 A 499 TRP HB2 H 1 3.082 0.04 A 499 TRP HB3 H 1 4.210 0.04 A 499 TRP HD1 H 1 6.940 0.04 A 499 TRP HE1 H 1 11.720 0.04 A 499 TRP HH2 H 1 7.020 0.04 A 499 TRP HZ2 H 1 7.300 0.04 A 499 TRP C C 13 176.398 0.25 A 499 TRP CA C 13 58.111 0.25 A 499 TRP CB C 13 34.294 0.25 A 499 TRP CD1 C 13 127.900 0.25 A 499 TRP CH2 C 13 124.300 0.25 A 499 TRP CZ2 C 13 114.900 0.25 A 499 TRP NE1 N 15 131.600 0.25 A 500 VAL H H 1 8.071 0.04 A 500 VAL HA H 1 3.421 0.04 A 500 VAL HB H 1 1.681 0.04 A 500 VAL HG1% H 1 0.028 0.04 A 500 VAL HG2% H 1 0.575 0.04 A 500 VAL C C 13 177.163 0.25 A 500 VAL CA C 13 68.043 0.25 A 500 VAL CB C 13 31.127 0.25 A 500 VAL CG1 C 13 21.076 0.25 A 500 VAL CG2 C 13 20.900 0.25 A 500 VAL N N 15 121.907 0.25 A 501 GLU H H 1 8.188 0.04 A 501 GLU HA H 1 4.130 0.04 A 501 GLU HB2 H 1 1.888 0.04 A 501 GLU HB3 H 1 1.909 0.04 A 501 GLU HG3 H 1 2.253 0.04 A 501 GLU C C 13 178.314 0.25 A 501 GLU CA C 13 58.781 0.25 A 501 GLU CB C 13 28.631 0.25 A 501 GLU CG C 13 35.661 0.25 A 501 GLU N N 15 117.634 0.25 A 502 ALA H H 1 7.996 0.04 A 502 ALA HA H 1 4.106 0.04 A 502 ALA HB% H 1 1.686 0.04 A 502 ALA C C 13 181.963 0.25 A 502 ALA CA C 13 54.953 0.25 A 502 ALA CB C 13 18.558 0.25 A 502 ALA N N 15 120.830 0.25 A 503 TYR H H 1 8.665 0.04 A 503 TYR HA H 1 4.362 0.04 A 503 TYR HB2 H 1 2.930 0.04 A 503 TYR HB3 H 1 2.976 0.04 A 503 TYR HD1 H 1 7.220 0.04 A 503 TYR HE1 H 1 6.570 0.04 A 503 TYR C C 13 178.723 0.25 A 503 TYR CA C 13 64.148 0.25 A 503 TYR CB C 13 39.126 0.25 A 503 TYR CD1 C 13 132.800 0.25 A 503 TYR CE1 C 13 119.900 0.25 A 503 TYR N N 15 118.238 0.25 A 504 ARG H H 1 8.824 0.04 A 504 ARG HA H 1 3.905 0.04 A 504 ARG HB2 H 1 1.978 0.04 A 504 ARG HB3 H 1 2.131 0.04 A 504 ARG HD2 H 1 3.080 0.04 A 504 ARG HD3 H 1 3.470 0.04 A 504 ARG HE H 1 7.550 0.04 A 504 ARG HG3 H 1 1.570 0.04 A 504 ARG C C 13 177.714 0.25 A 504 ARG CA C 13 59.679 0.25 A 504 ARG CB C 13 30.495 0.25 A 504 ARG CD C 13 43.408 0.25 A 504 ARG CG C 13 28.356 0.25 A 504 ARG N N 15 121.723 0.25 A 504 ARG NE N 15 83.200 0.25 A 505 GLN H H 1 7.613 0.04 A 505 GLN HA H 1 4.332 0.04 A 505 GLN HB2 H 1 1.948 0.04 A 505 GLN HB3 H 1 2.464 0.04 A 505 GLN HE21 H 1 7.530 0.04 A 505 GLN HE22 H 1 6.760 0.04 A 505 GLN HG2 H 1 2.367 0.04 A 505 GLN HG3 H 1 2.558 0.04 A 505 GLN C C 13 176.403 0.25 A 505 GLN CA C 13 55.387 0.25 A 505 GLN CB C 13 28.792 0.25 A 505 GLN CG C 13 34.006 0.25 A 505 GLN N N 15 113.473 0.25 A 505 GLN NE2 N 15 111.800 0.25 A 506 GLY H H 1 7.867 0.04 A 506 GLY HA2 H 1 3.671 0.04 A 506 GLY HA3 H 1 4.370 0.04 A 506 GLY C C 13 174.133 0.25 A 506 GLY CA C 13 45.874 0.25 A 506 GLY N N 15 106.968 0.25 A 507 ARG H H 1 7.858 0.04 A 507 ARG HA H 1 3.717 0.04 A 507 ARG HB2 H 1 0.360 0.04 A 507 ARG HB3 H 1 1.030 0.04 A 507 ARG HG2 H 1 0.385 0.04 A 507 ARG HG3 H 1 1.268 0.04 A 507 ARG C C 13 171.000 0.25 A 507 ARG CA C 13 58.285 0.25 A 507 ARG CB C 13 29.901 0.25 A 507 ARG CG C 13 27.976 0.25 A 507 ARG N N 15 123.761 0.25 A 508 ILE H H 1 7.180 0.04 A 508 ILE HA H 1 4.859 0.04 A 508 ILE HB H 1 1.626 0.04 A 508 ILE HD1% H 1 0.890 0.04 A 508 ILE HG12 H 1 1.129 0.04 A 508 ILE HG13 H 1 1.850 0.04 A 508 ILE HG2% H 1 0.854 0.04 A 508 ILE C C 13 176.521 0.25 A 508 ILE CA C 13 59.199 0.25 A 508 ILE CB C 13 42.573 0.25 A 508 ILE CD1 C 13 14.322 0.25 A 508 ILE CG1 C 13 27.255 0.25 A 508 ILE CG2 C 13 17.735 0.25 A 508 ILE N N 15 119.641 0.25 A 509 GLN H H 1 8.536 0.04 A 509 GLN HA H 1 4.918 0.04 A 509 GLN HB2 H 1 1.759 0.04 A 509 GLN HB3 H 1 1.881 0.04 A 509 GLN HE21 H 1 6.950 0.04 A 509 GLN HE22 H 1 6.480 0.04 A 509 GLN HG3 H 1 2.063 0.04 A 509 GLN C C 13 173.750 0.25 A 509 GLN CA C 13 54.255 0.25 A 509 GLN CB C 13 32.267 0.25 A 509 GLN CG C 13 33.671 0.25 A 509 GLN N N 15 125.871 0.25 A 509 GLN NE2 N 15 111.100 0.25 A 510 ALA H H 1 8.865 0.04 A 510 ALA HA H 1 4.946 0.04 A 510 ALA HB% H 1 1.347 0.04 A 510 ALA C C 13 175.742 0.25 A 510 ALA CA C 13 51.009 0.25 A 510 ALA CB C 13 21.245 0.25 A 510 ALA N N 15 133.952 0.25 A 511 THR H H 1 9.368 0.04 A 511 THR HA H 1 4.652 0.04 A 511 THR HB H 1 4.345 0.04 A 511 THR HG2% H 1 1.020 0.04 A 511 THR C C 13 174.487 0.25 A 511 THR CA C 13 62.152 0.25 A 511 THR CB C 13 69.678 0.25 A 511 THR CG2 C 13 22.281 0.25 A 511 THR N N 15 121.442 0.25 A 512 THR H H 1 8.829 0.04 A 512 THR HA H 1 4.706 0.04 A 512 THR HB H 1 3.959 0.04 A 512 THR HG2% H 1 1.009 0.04 A 512 THR C C 13 173.054 0.25 A 512 THR CA C 13 63.609 0.25 A 512 THR CB C 13 69.408 0.25 A 512 THR CG2 C 13 22.254 0.25 A 512 THR N N 15 126.491 0.25 A 513 ASP H H 1 7.272 0.04 A 513 ASP HA H 1 5.022 0.04 A 513 ASP HB2 H 1 2.657 0.04 A 513 ASP HB3 H 1 2.370 0.04 A 513 ASP C C 13 179.097 0.25 A 513 ASP CA C 13 52.164 0.25 A 513 ASP CB C 13 42.331 0.25 A 513 ASP N N 15 113.706 0.25 A 514 ILE H H 1 8.916 0.04 A 514 ILE HA H 1 3.636 0.04 A 514 ILE HB H 1 1.409 0.04 A 514 ILE HD1% H 1 0.270 0.04 A 514 ILE HG13 H 1 0.575 0.04 A 514 ILE HG2% H 1 0.428 0.04 A 514 ILE C C 13 175.769 0.25 A 514 ILE CA C 13 63.545 0.25 A 514 ILE CB C 13 38.180 0.25 A 514 ILE CD1 C 13 14.926 0.25 A 514 ILE CG1 C 13 26.255 0.25 A 514 ILE CG2 C 13 17.239 0.25 A 514 ILE N N 15 123.327 0.25 A 515 PHE H H 1 8.154 0.04 A 515 PHE HA H 1 4.517 0.04 A 515 PHE HB2 H 1 3.011 0.04 A 515 PHE HB3 H 1 3.398 0.04 A 515 PHE HD1 H 1 7.260 0.04 A 515 PHE HE1 H 1 7.270 0.04 A 515 PHE C C 13 176.514 0.25 A 515 PHE CA C 13 58.401 0.25 A 515 PHE CB C 13 37.600 0.25 A 515 PHE CD1 C 13 131.400 0.25 A 515 PHE N N 15 117.344 0.25 A 516 LYS H H 1 7.634 0.04 A 516 LYS HA H 1 4.715 0.04 A 516 LYS HB2 H 1 1.505 0.04 A 516 LYS HB3 H 1 2.176 0.04 A 516 LYS HD2 H 1 1.640 0.04 A 516 LYS HD3 H 1 1.680 0.04 A 516 LYS HE3 H 1 2.987 0.04 A 516 LYS HG3 H 1 1.305 0.04 A 516 LYS C C 13 175.486 0.25 A 516 LYS CA C 13 54.831 0.25 A 516 LYS CB C 13 33.581 0.25 A 516 LYS CD C 13 29.254 0.25 A 516 LYS CE C 13 42.293 0.25 A 516 LYS CG C 13 25.084 0.25 A 516 LYS N N 15 120.351 0.25 A 517 ALA H H 1 7.552 0.04 A 517 ALA HA H 1 4.561 0.04 A 517 ALA HB% H 1 1.290 0.04 A 517 ALA C C 13 176.799 0.25 A 517 ALA CA C 13 51.980 0.25 A 517 ALA CB C 13 20.779 0.25 A 517 ALA N N 15 122.264 0.25 A 518 GLY H H 1 8.499 0.04 A 518 GLY HA2 H 1 3.746 0.04 A 518 GLY HA3 H 1 3.890 0.04 A 518 GLY C C 13 175.260 0.25 A 518 GLY CA C 13 46.252 0.25 A 518 GLY N N 15 110.102 0.25 A 519 LEU H H 1 8.418 0.04 A 519 LEU HA H 1 4.285 0.04 A 519 LEU HB2 H 1 0.740 0.04 A 519 LEU HB3 H 1 1.593 0.04 A 519 LEU HD1% H 1 0.248 0.04 A 519 LEU HD2% H 1 0.052 0.04 A 519 LEU HG H 1 1.220 0.04 A 519 LEU C C 13 176.687 0.25 A 519 LEU CA C 13 54.291 0.25 A 519 LEU CB C 13 42.942 0.25 A 519 LEU CD1 C 13 23.500 0.25 A 519 LEU CD2 C 13 21.200 0.25 A 519 LEU CG C 13 26.300 0.25 A 519 LEU N N 15 120.980 0.25 A 520 THR H H 1 6.149 0.04 A 520 THR HA H 1 4.420 0.04 A 520 THR HG2% H 1 1.360 0.04 A 520 THR CA C 13 60.231 0.25 A 520 THR CB C 13 71.205 0.25 A 520 THR N N 15 107.429 0.25 A 521 GLU H H 1 7.290 0.04 A 521 GLU HA H 1 4.173 0.04 A 521 GLU HB3 H 1 1.988 0.04 A 521 GLU HG2 H 1 2.219 0.04 A 521 GLU HG3 H 1 2.940 0.04 A 521 GLU C C 13 176.567 0.25 A 521 GLU CA C 13 57.220 0.25 A 521 GLU CB C 13 30.353 0.25 A 521 GLU CG C 13 36.281 0.25 A 521 GLU N N 15 118.700 0.25 A 522 CYS H H 1 8.218 0.04 A 522 CYS HA H 1 4.139 0.04 A 522 CYS HB2 H 1 2.620 0.04 A 522 CYS HB3 H 1 3.084 0.04 A 522 CYS C C 13 177.769 0.25 A 522 CYS CA C 13 61.379 0.25 A 522 CYS CB C 13 32.851 0.25 A 522 CYS N N 15 121.185 0.25 A 523 HIS H H 1 7.333 0.04 A 523 HIS HA H 1 3.796 0.04 A 523 HIS HB3 H 1 3.170 0.04 A 523 HIS HD2 H 1 6.100 0.04 A 523 HIS HE1 H 1 7.700 0.04 A 523 HIS C C 13 177.832 0.25 A 523 HIS CA C 13 59.058 0.25 A 523 HIS CB C 13 28.841 0.25 A 523 HIS CE1 C 13 138.400 0.25 A 523 HIS N N 15 117.000 0.25 A 524 LEU H H 1 8.582 0.04 A 524 LEU HA H 1 3.792 0.04 A 524 LEU HB2 H 1 1.279 0.04 A 524 LEU HB3 H 1 1.890 0.04 A 524 LEU HD1% H 1 0.840 0.04 A 524 LEU HD2% H 1 0.570 0.04 A 524 LEU HG H 1 1.590 0.04 A 524 LEU C C 13 180.184 0.25 A 524 LEU CA C 13 58.223 0.25 A 524 LEU CB C 13 41.482 0.25 A 524 LEU CD1 C 13 25.662 0.25 A 524 LEU CD2 C 13 22.969 0.25 A 524 LEU N N 15 117.403 0.25 A 525 ASN H H 1 9.226 0.04 A 525 ASN HA H 1 4.534 0.04 A 525 ASN HB2 H 1 2.845 0.04 A 525 ASN HB3 H 1 2.985 0.04 A 525 ASN HD21 H 1 7.760 0.04 A 525 ASN HD22 H 1 7.050 0.04 A 525 ASN C C 13 177.023 0.25 A 525 ASN CA C 13 55.784 0.25 A 525 ASN CB C 13 38.017 0.25 A 525 ASN N N 15 118.149 0.25 A 525 ASN ND2 N 15 112.900 0.25 A 526 GLN H H 1 7.290 0.04 A 526 GLN HA H 1 4.358 0.04 A 526 GLN HB2 H 1 1.913 0.04 A 526 GLN HB3 H 1 2.062 0.04 A 526 GLN HE21 H 1 7.260 0.04 A 526 GLN HE22 H 1 6.810 0.04 A 526 GLN HG2 H 1 2.273 0.04 A 526 GLN HG3 H 1 2.561 0.04 A 526 GLN C C 13 175.801 0.25 A 526 GLN CA C 13 57.008 0.25 A 526 GLN CB C 13 28.586 0.25 A 526 GLN CG C 13 33.783 0.25 A 526 GLN N N 15 115.619 0.25 A 526 GLN NE2 N 15 112.300 0.25 A 527 LEU H H 1 6.944 0.04 A 527 LEU HA H 1 4.130 0.04 A 527 LEU HB2 H 1 1.130 0.04 A 527 LEU HB3 H 1 1.581 0.04 A 527 LEU HD1% H 1 0.632 0.04 A 527 LEU HD2% H 1 0.220 0.04 A 527 LEU HG H 1 1.540 0.04 A 527 LEU C C 13 178.587 0.25 A 527 LEU CA C 13 55.568 0.25 A 527 LEU CB C 13 42.148 0.25 A 527 LEU CD1 C 13 25.624 0.25 A 527 LEU CD2 C 13 22.000 0.25 A 527 LEU CG C 13 27.000 0.25 A 527 LEU N N 15 115.651 0.25 A 528 ARG H H 1 8.246 0.04 A 528 ARG HA H 1 4.310 0.04 A 528 ARG HB2 H 1 1.720 0.04 A 528 ARG HB3 H 1 1.870 0.04 A 528 ARG HD3 H 1 3.270 0.04 A 528 ARG HG3 H 1 1.970 0.04 A 528 ARG CA C 13 61.278 0.25 A 528 ARG CB C 13 28.800 0.25 A 528 ARG CD C 13 43.400 0.25 A 528 ARG N N 15 121.110 0.25 A 529 PRO HA H 1 4.432 0.04 A 529 PRO HB2 H 1 1.774 0.04 A 529 PRO HB3 H 1 2.390 0.04 A 529 PRO HD2 H 1 3.360 0.04 A 529 PRO HD3 H 1 3.750 0.04 A 529 PRO HG3 H 1 2.010 0.04 A 529 PRO C C 13 177.119 0.25 A 529 PRO CA C 13 65.500 0.25 A 529 PRO CB C 13 31.079 0.25 A 529 PRO CD C 13 51.400 0.25 A 529 PRO CG C 13 28.353 0.25 A 530 LEU H H 1 6.908 0.04 A 530 LEU HA H 1 4.186 0.04 A 530 LEU HB2 H 1 1.320 0.04 A 530 LEU HB3 H 1 1.700 0.04 A 530 LEU HD1% H 1 0.790 0.04 A 530 LEU HD2% H 1 0.700 0.04 A 530 LEU HG H 1 1.630 0.04 A 530 LEU C C 13 176.839 0.25 A 530 LEU CA C 13 54.360 0.25 A 530 LEU CB C 13 42.962 0.25 A 530 LEU CD1 C 13 25.865 0.25 A 530 LEU CD2 C 13 22.906 0.25 A 530 LEU N N 15 113.140 0.25 A 531 LYS H H 1 8.120 0.04 A 531 LYS HA H 1 3.881 0.04 A 531 LYS HB2 H 1 2.029 0.04 A 531 LYS HB3 H 1 2.377 0.04 A 531 LYS HD2 H 1 1.830 0.04 A 531 LYS HD3 H 1 1.990 0.04 A 531 LYS HE2 H 1 3.080 0.04 A 531 LYS HE3 H 1 3.100 0.04 A 531 LYS HG2 H 1 1.419 0.04 A 531 LYS HG3 H 1 1.586 0.04 A 531 LYS C C 13 173.063 0.25 A 531 LYS CA C 13 57.573 0.25 A 531 LYS CB C 13 28.802 0.25 A 531 LYS CD C 13 29.100 0.25 A 531 LYS CE C 13 42.618 0.25 A 531 LYS CG C 13 25.556 0.25 A 531 LYS N N 15 114.250 0.25 A 532 VAL H H 1 6.477 0.04 A 532 VAL HA H 1 3.000 0.04 A 532 VAL HB H 1 1.400 0.04 A 532 VAL HG1% H 1 0.415 0.04 A 532 VAL HG2% H 1 -0.069 0.04 A 532 VAL C C 13 174.337 0.25 A 532 VAL CA C 13 64.525 0.25 A 532 VAL CB C 13 32.785 0.25 A 532 VAL CG1 C 13 21.600 0.25 A 532 VAL CG2 C 13 21.300 0.25 A 532 VAL N N 15 115.759 0.25 A 533 ARG H H 1 8.917 0.04 A 533 ARG HA H 1 4.457 0.04 A 533 ARG HB2 H 1 1.272 0.04 A 533 ARG HB3 H 1 1.444 0.04 A 533 ARG HD3 H 1 3.040 0.04 A 533 ARG HG2 H 1 1.130 0.04 A 533 ARG HG3 H 1 1.280 0.04 A 533 ARG C C 13 173.662 0.25 A 533 ARG CA C 13 53.844 0.25 A 533 ARG CB C 13 31.242 0.25 A 533 ARG CG C 13 27.176 0.25 A 533 ARG N N 15 123.594 0.25 A 534 ALA H H 1 8.338 0.04 A 534 ALA HA H 1 4.663 0.04 A 534 ALA HB% H 1 1.779 0.04 A 534 ALA C C 13 176.608 0.25 A 534 ALA CA C 13 51.456 0.25 A 534 ALA CB C 13 25.134 0.25 A 534 ALA N N 15 123.107 0.25 A 535 ASN H H 1 9.052 0.04 A 535 ASN HA H 1 6.000 0.04 A 535 ASN HB2 H 1 2.840 0.04 A 535 ASN HB3 H 1 3.060 0.04 A 535 ASN C C 13 170.841 0.25 A 535 ASN CA C 13 52.258 0.25 A 535 ASN CB C 13 42.060 0.25 A 535 ASN N N 15 117.841 0.25 A 536 LEU H H 1 8.163 0.04 A 536 LEU HA H 1 4.667 0.04 A 536 LEU HB2 H 1 -0.730 0.04 A 536 LEU HB3 H 1 0.367 0.04 A 536 LEU HD1% H 1 0.477 0.04 A 536 LEU HD2% H 1 -0.030 0.04 A 536 LEU HG H 1 1.052 0.04 A 536 LEU C C 13 173.345 0.25 A 536 LEU CA C 13 54.258 0.25 A 536 LEU CB C 13 43.282 0.25 A 536 LEU CD1 C 13 24.104 0.25 A 536 LEU CD2 C 13 25.991 0.25 A 536 LEU CG C 13 27.400 0.25 A 536 LEU N N 15 123.199 0.25 A 537 VAL H H 1 8.881 0.04 A 537 VAL HA H 1 4.428 0.04 A 537 VAL HB H 1 2.268 0.04 A 537 VAL HG1% H 1 0.740 0.04 A 537 VAL HG2% H 1 0.770 0.04 A 537 VAL C C 13 174.411 0.25 A 537 VAL CA C 13 62.112 0.25 A 537 VAL CB C 13 34.747 0.25 A 537 VAL CG1 C 13 23.356 0.25 A 537 VAL CG2 C 13 19.480 0.25 A 537 VAL N N 15 128.390 0.25 A 538 VAL H H 1 8.456 0.04 A 538 VAL HA H 1 5.360 0.04 A 538 VAL HB H 1 2.320 0.04 A 538 VAL HG1% H 1 1.030 0.04 A 538 VAL HG2% H 1 0.720 0.04 A 538 VAL CA C 13 56.783 0.25 A 538 VAL CB C 13 33.069 0.25 A 538 VAL CG1 C 13 22.000 0.25 A 538 VAL CG2 C 13 21.800 0.25 A 538 VAL N N 15 118.758 0.25 A 539 PRO HA H 1 4.832 0.04 A 539 PRO HB2 H 1 1.836 0.04 A 539 PRO HB3 H 1 2.187 0.04 A 539 PRO HD3 H 1 3.770 0.04 A 539 PRO HG2 H 1 2.220 0.04 A 539 PRO HG3 H 1 2.610 0.04 A 539 PRO C C 13 175.835 0.25 A 539 PRO CA C 13 62.909 0.25 A 539 PRO CB C 13 34.483 0.25 A 539 PRO CD C 13 49.868 0.25 A 539 PRO CG C 13 26.822 0.25 A 540 MET H H 1 8.212 0.04 A 540 MET HA H 1 4.372 0.04 A 540 MET HB2 H 1 1.661 0.04 A 540 MET HB3 H 1 2.105 0.04 A 540 MET HE% H 1 1.730 0.04 A 540 MET HG3 H 1 2.170 0.04 A 540 MET C C 13 173.982 0.25 A 540 MET CA C 13 55.763 0.25 A 540 MET CB C 13 35.394 0.25 A 540 MET CE C 13 16.100 0.25 A 540 MET CG C 13 32.019 0.25 A 540 MET N N 15 116.774 0.25 A 541 VAL H H 1 8.342 0.04 A 541 VAL HA H 1 4.851 0.04 A 541 VAL HB H 1 2.059 0.04 A 541 VAL HG1% H 1 0.996 0.04 A 541 VAL HG2% H 1 0.844 0.04 A 541 VAL C C 13 174.789 0.25 A 541 VAL CA C 13 61.847 0.25 A 541 VAL CB C 13 33.092 0.25 A 541 VAL CG1 C 13 22.255 0.25 A 541 VAL CG2 C 13 20.698 0.25 A 541 VAL N N 15 127.382 0.25 A 542 ILE H H 1 8.687 0.04 A 542 ILE HA H 1 4.225 0.04 A 542 ILE HB H 1 1.613 0.04 A 542 ILE HD1% H 1 0.357 0.04 A 542 ILE HG12 H 1 1.050 0.04 A 542 ILE HG13 H 1 1.404 0.04 A 542 ILE HG2% H 1 0.647 0.04 A 542 ILE C C 13 176.127 0.25 A 542 ILE CA C 13 60.535 0.25 A 542 ILE CB C 13 41.569 0.25 A 542 ILE CD1 C 13 15.183 0.25 A 542 ILE CG1 C 13 27.601 0.25 A 542 ILE CG2 C 13 16.897 0.25 A 542 ILE N N 15 126.100 0.25 A 543 ASP H H 1 10.386 0.04 A 543 ASP HA H 1 4.203 0.04 A 543 ASP HB2 H 1 2.361 0.04 A 543 ASP HB3 H 1 2.979 0.04 A 543 ASP C C 13 175.231 0.25 A 543 ASP CA C 13 55.725 0.25 A 543 ASP CB C 13 39.705 0.25 A 543 ASP N N 15 132.060 0.25 A 544 ASP H H 1 8.812 0.04 A 544 ASP HA H 1 4.109 0.04 A 544 ASP HB2 H 1 2.665 0.04 A 544 ASP HB3 H 1 2.966 0.04 A 544 ASP C C 13 174.479 0.25 A 544 ASP CA C 13 55.744 0.25 A 544 ASP CB C 13 41.048 0.25 A 544 ASP N N 15 111.355 0.25 A 545 GLN H H 1 7.884 0.04 A 545 GLN HA H 1 4.582 0.04 A 545 GLN HB2 H 1 1.965 0.04 A 545 GLN HB3 H 1 2.180 0.04 A 545 GLN HE21 H 1 7.520 0.04 A 545 GLN HE22 H 1 6.820 0.04 A 545 GLN HG2 H 1 2.370 0.04 A 545 GLN HG3 H 1 2.430 0.04 A 545 GLN C C 13 174.762 0.25 A 545 GLN CA C 13 53.703 0.25 A 545 GLN CB C 13 31.687 0.25 A 545 GLN CG C 13 33.251 0.25 A 545 GLN N N 15 117.226 0.25 A 545 GLN NE2 N 15 112.500 0.25 A 546 LEU H H 1 9.175 0.04 A 546 LEU HA H 1 4.590 0.04 A 546 LEU HB2 H 1 1.103 0.04 A 546 LEU HB3 H 1 2.281 0.04 A 546 LEU HD1% H 1 1.038 0.04 A 546 LEU HG H 1 1.000 0.04 A 546 LEU C C 13 174.041 0.25 A 546 LEU CA C 13 55.029 0.25 A 546 LEU CB C 13 42.361 0.25 A 546 LEU CD1 C 13 24.556 0.25 A 546 LEU CG C 13 28.146 0.25 A 546 LEU N N 15 123.783 0.25 A 547 PHE H H 1 8.925 0.04 A 547 PHE HA H 1 4.564 0.04 A 547 PHE HB2 H 1 2.796 0.04 A 547 PHE HB3 H 1 3.336 0.04 A 547 PHE HD2 H 1 7.080 0.04 A 547 PHE HE2 H 1 7.020 0.04 A 547 PHE C C 13 176.063 0.25 A 547 PHE CA C 13 59.445 0.25 A 547 PHE CB C 13 41.069 0.25 A 547 PHE CD2 C 13 132.000 0.25 A 547 PHE CE2 C 13 130.500 0.25 A 547 PHE N N 15 132.161 0.25 A 548 GLY H H 1 8.025 0.04 A 548 GLY HA2 H 1 3.557 0.04 A 548 GLY HA3 H 1 3.805 0.04 A 548 GLY C C 13 169.176 0.25 A 548 GLY CA C 13 45.906 0.25 A 548 GLY N N 15 103.713 0.25 A 549 LEU H H 1 8.738 0.04 A 549 LEU HA H 1 4.872 0.04 A 549 LEU HB2 H 1 1.013 0.04 A 549 LEU HB3 H 1 1.190 0.04 A 549 LEU HD1% H 1 0.124 0.04 A 549 LEU HG H 1 1.129 0.04 A 549 LEU C C 13 174.008 0.25 A 549 LEU CA C 13 52.697 0.25 A 549 LEU CB C 13 44.641 0.25 A 549 LEU CD1 C 13 22.293 0.25 A 549 LEU CG C 13 26.385 0.25 A 549 LEU N N 15 117.457 0.25 A 550 LEU H H 1 9.078 0.04 A 550 LEU HA H 1 4.920 0.04 A 550 LEU HB2 H 1 0.836 0.04 A 550 LEU HB3 H 1 1.553 0.04 A 550 LEU HD1% H 1 0.612 0.04 A 550 LEU HD2% H 1 -0.054 0.04 A 550 LEU HG H 1 1.160 0.04 A 550 LEU C C 13 175.162 0.25 A 550 LEU CA C 13 53.922 0.25 A 550 LEU CB C 13 42.857 0.25 A 550 LEU CD1 C 13 24.688 0.25 A 550 LEU CD2 C 13 26.115 0.25 A 550 LEU CG C 13 27.300 0.25 A 550 LEU N N 15 127.533 0.25 A 551 ILE H H 1 8.382 0.04 A 551 ILE HA H 1 5.332 0.04 A 551 ILE HB H 1 1.173 0.04 A 551 ILE HD1% H 1 0.060 0.04 A 551 ILE HG13 H 1 1.284 0.04 A 551 ILE HG2% H 1 0.530 0.04 A 551 ILE C C 13 174.056 0.25 A 551 ILE CA C 13 59.702 0.25 A 551 ILE CB C 13 41.568 0.25 A 551 ILE CD1 C 13 12.200 0.25 A 551 ILE CG1 C 13 26.950 0.25 A 551 ILE CG2 C 13 17.027 0.25 A 551 ILE N N 15 123.427 0.25 A 552 ALA H H 1 9.245 0.04 A 552 ALA HA H 1 5.130 0.04 A 552 ALA HB% H 1 0.814 0.04 A 552 ALA C C 13 176.892 0.25 A 552 ALA CA C 13 49.481 0.25 A 552 ALA CB C 13 22.936 0.25 A 552 ALA N N 15 129.153 0.25 A 553 HIS H H 1 9.584 0.04 A 553 HIS HA H 1 5.879 0.04 A 553 HIS HB2 H 1 2.666 0.04 A 553 HIS HB3 H 1 3.210 0.04 A 553 HIS HD2 H 1 7.240 0.04 A 553 HIS HE1 H 1 7.110 0.04 A 553 HIS HE2 H 1 12.360 0.04 A 553 HIS C C 13 175.709 0.25 A 553 HIS CA C 13 52.575 0.25 A 553 HIS CB C 13 36.391 0.25 A 553 HIS CE1 C 13 135.200 0.25 A 553 HIS N N 15 117.481 0.25 A 553 HIS NE2 N 15 165.800 0.25 A 554 GLN H H 1 9.240 0.04 A 554 GLN HA H 1 4.604 0.04 A 554 GLN HG3 H 1 2.376 0.04 A 554 GLN C C 13 174.647 0.25 A 554 GLN CA C 13 55.753 0.25 A 554 GLN CB C 13 30.350 0.25 A 554 GLN CG C 13 33.337 0.25 A 554 GLN N N 15 125.534 0.25 A 555 ALA H H 1 11.446 0.04 A 555 ALA HA H 1 4.543 0.04 A 555 ALA HB% H 1 -0.075 0.04 A 555 ALA C C 13 177.707 0.25 A 555 ALA CA C 13 53.062 0.25 A 555 ALA CB C 13 19.238 0.25 A 555 ALA N N 15 135.281 0.25 A 556 SER H H 1 8.106 0.04 A 556 SER HA H 1 4.190 0.04 A 556 SER HB3 H 1 4.120 0.04 A 556 SER C C 13 174.538 0.25 A 556 SER CA C 13 60.691 0.25 A 556 SER CB C 13 63.729 0.25 A 556 SER N N 15 110.784 0.25 A 557 GLU H H 1 7.380 0.04 A 557 GLU CA C 13 53.779 0.25 A 557 GLU CB C 13 30.585 0.25 A 557 GLU N N 15 118.812 0.25 A 558 PRO HA H 1 4.290 0.04 A 558 PRO HB2 H 1 1.683 0.04 A 558 PRO HB3 H 1 2.123 0.04 A 558 PRO HD2 H 1 3.430 0.04 A 558 PRO HD3 H 1 3.640 0.04 A 558 PRO HG2 H 1 1.740 0.04 A 558 PRO HG3 H 1 1.960 0.04 A 558 PRO C C 13 175.238 0.25 A 558 PRO CA C 13 62.733 0.25 A 558 PRO CB C 13 32.892 0.25 A 558 PRO CD C 13 50.400 0.25 A 558 PRO CG C 13 27.772 0.25 A 559 ARG H H 1 8.106 0.04 A 559 ARG HA H 1 3.949 0.04 A 559 ARG HB2 H 1 0.570 0.04 A 559 ARG HB3 H 1 0.873 0.04 A 559 ARG HE H 1 7.520 0.04 A 559 ARG HG2 H 1 -0.290 0.04 A 559 ARG HG3 H 1 0.660 0.04 A 559 ARG HH11 H 1 7.060 0.04 A 559 ARG HH21 H 1 6.070 0.04 A 559 ARG C C 13 171.339 0.25 A 559 ARG CA C 13 55.522 0.25 A 559 ARG CB C 13 33.266 0.25 A 559 ARG CD C 13 42.883 0.25 A 559 ARG CG C 13 25.324 0.25 A 559 ARG N N 15 121.705 0.25 A 559 ARG NE N 15 87.700 0.25 A 559 ARG NH1 N 15 71.000 0.25 A 559 ARG NH2 N 15 69.300 0.25 A 560 GLN H H 1 8.295 0.04 A 560 GLN HA H 1 4.386 0.04 A 560 GLN HB2 H 1 1.738 0.04 A 560 GLN HB3 H 1 1.879 0.04 A 560 GLN HE21 H 1 7.550 0.04 A 560 GLN HE22 H 1 6.860 0.04 A 560 GLN HG2 H 1 2.081 0.04 A 560 GLN HG3 H 1 2.129 0.04 A 560 GLN C C 13 175.691 0.25 A 560 GLN CA C 13 53.655 0.25 A 560 GLN CB C 13 27.650 0.25 A 560 GLN CG C 13 33.611 0.25 A 560 GLN N N 15 125.611 0.25 A 560 GLN NE2 N 15 112.700 0.25 A 561 TRP H H 1 7.899 0.04 A 561 TRP HA H 1 4.449 0.04 A 561 TRP HB2 H 1 2.909 0.04 A 561 TRP HB3 H 1 3.030 0.04 A 561 TRP HD1 H 1 7.450 0.04 A 561 TRP HE1 H 1 11.530 0.04 A 561 TRP HE3 H 1 7.270 0.04 A 561 TRP HZ2 H 1 7.230 0.04 A 561 TRP HZ3 H 1 6.510 0.04 A 561 TRP C C 13 176.089 0.25 A 561 TRP CA C 13 56.370 0.25 A 561 TRP CB C 13 28.641 0.25 A 561 TRP CD1 C 13 129.400 0.25 A 561 TRP CE3 C 13 120.200 0.25 A 561 TRP CZ2 C 13 116.800 0.25 A 561 TRP CZ3 C 13 120.700 0.25 A 561 TRP N N 15 132.619 0.25 A 561 TRP NE1 N 15 130.800 0.25 A 562 GLN H H 1 9.714 0.04 A 562 GLN HA H 1 4.465 0.04 A 562 GLN HB2 H 1 1.810 0.04 A 562 GLN HB3 H 1 2.506 0.04 A 562 GLN HE21 H 1 7.290 0.04 A 562 GLN HE22 H 1 6.900 0.04 A 562 GLN HG2 H 1 2.470 0.04 A 562 GLN HG3 H 1 2.510 0.04 A 562 GLN C C 13 177.060 0.25 A 562 GLN CA C 13 54.712 0.25 A 562 GLN CB C 13 30.536 0.25 A 562 GLN CG C 13 33.940 0.25 A 562 GLN N N 15 124.398 0.25 A 562 GLN NE2 N 15 113.100 0.25 A 563 GLU H H 1 9.197 0.04 A 563 GLU HA H 1 3.913 0.04 A 563 GLU HB3 H 1 2.104 0.04 A 563 GLU HG2 H 1 2.334 0.04 A 563 GLU HG3 H 1 2.406 0.04 A 563 GLU C C 13 178.669 0.25 A 563 GLU CA C 13 61.261 0.25 A 563 GLU CB C 13 29.246 0.25 A 563 GLU CG C 13 36.746 0.25 A 563 GLU N N 15 124.299 0.25 A 564 ILE H H 1 8.482 0.04 A 564 ILE HA H 1 4.217 0.04 A 564 ILE HB H 1 1.903 0.04 A 564 ILE HD1% H 1 0.940 0.04 A 564 ILE HG12 H 1 1.277 0.04 A 564 ILE HG13 H 1 1.533 0.04 A 564 ILE HG2% H 1 0.949 0.04 A 564 ILE C C 13 177.495 0.25 A 564 ILE CA C 13 63.396 0.25 A 564 ILE CB C 13 37.815 0.25 A 564 ILE CD1 C 13 13.897 0.25 A 564 ILE CG1 C 13 28.804 0.25 A 564 ILE CG2 C 13 17.801 0.25 A 564 ILE N N 15 115.325 0.25 A 565 GLU H H 1 6.700 0.04 A 565 GLU HA H 1 4.014 0.04 A 565 GLU HB3 H 1 1.811 0.04 A 565 GLU HG3 H 1 2.314 0.04 A 565 GLU C C 13 178.136 0.25 A 565 GLU CA C 13 58.734 0.25 A 565 GLU CB C 13 29.617 0.25 A 565 GLU CG C 13 36.848 0.25 A 565 GLU N N 15 121.151 0.25 A 566 ILE H H 1 8.122 0.04 A 566 ILE HA H 1 3.450 0.04 A 566 ILE HB H 1 1.940 0.04 A 566 ILE HD1% H 1 0.730 0.04 A 566 ILE HG13 H 1 1.760 0.04 A 566 ILE HG2% H 1 0.972 0.04 A 566 ILE C C 13 178.664 0.25 A 566 ILE CA C 13 66.463 0.25 A 566 ILE CB C 13 38.360 0.25 A 566 ILE CD1 C 13 13.438 0.25 A 566 ILE CG1 C 13 29.173 0.25 A 566 ILE CG2 C 13 17.854 0.25 A 566 ILE N N 15 119.835 0.25 A 567 ASP H H 1 8.503 0.04 A 567 ASP HA H 1 4.372 0.04 A 567 ASP HB2 H 1 2.732 0.04 A 567 ASP HB3 H 1 2.832 0.04 A 567 ASP C C 13 179.395 0.25 A 567 ASP CA C 13 57.846 0.25 A 567 ASP CB C 13 40.610 0.25 A 567 ASP N N 15 120.402 0.25 A 568 GLN H H 1 8.273 0.04 A 568 GLN HA H 1 4.147 0.04 A 568 GLN HB2 H 1 2.099 0.04 A 568 GLN HB3 H 1 2.288 0.04 A 568 GLN HE21 H 1 7.240 0.04 A 568 GLN HE22 H 1 6.730 0.04 A 568 GLN HG2 H 1 2.418 0.04 A 568 GLN HG3 H 1 2.852 0.04 A 568 GLN C C 13 179.163 0.25 A 568 GLN CA C 13 59.243 0.25 A 568 GLN CB C 13 29.668 0.25 A 568 GLN CG C 13 35.125 0.25 A 568 GLN N N 15 118.044 0.25 A 568 GLN NE2 N 15 109.600 0.25 A 569 PHE H H 1 8.962 0.04 A 569 PHE HA H 1 4.303 0.04 A 569 PHE HB2 H 1 2.966 0.04 A 569 PHE HB3 H 1 3.204 0.04 A 569 PHE HD2 H 1 6.920 0.04 A 569 PHE HE2 H 1 6.940 0.04 A 569 PHE HZ H 1 6.760 0.04 A 569 PHE C C 13 177.052 0.25 A 569 PHE CA C 13 61.230 0.25 A 569 PHE CB C 13 40.614 0.25 A 569 PHE CD2 C 13 131.700 0.25 A 569 PHE CE2 C 13 130.700 0.25 A 569 PHE CZ C 13 130.300 0.25 A 569 PHE N N 15 124.363 0.25 A 570 SER H H 1 8.880 0.04 A 570 SER HA H 1 4.353 0.04 A 570 SER HB3 H 1 4.087 0.04 A 570 SER C C 13 177.332 0.25 A 570 SER CA C 13 61.727 0.25 A 570 SER CB C 13 62.752 0.25 A 570 SER N N 15 113.474 0.25 A 571 GLU H H 1 8.251 0.04 A 571 GLU HA H 1 4.151 0.04 A 571 GLU HB2 H 1 2.145 0.04 A 571 GLU HB3 H 1 2.177 0.04 A 571 GLU HG3 H 1 2.355 0.04 A 571 GLU C C 13 178.900 0.25 A 571 GLU CA C 13 59.404 0.25 A 571 GLU CB C 13 29.340 0.25 A 571 GLU CG C 13 36.366 0.25 A 571 GLU N N 15 122.935 0.25 A 572 LEU H H 1 7.811 0.04 A 572 LEU HA H 1 4.040 0.04 A 572 LEU HB2 H 1 1.569 0.04 A 572 LEU HB3 H 1 1.891 0.04 A 572 LEU HD1% H 1 0.878 0.04 A 572 LEU HD2% H 1 0.614 0.04 A 572 LEU HG H 1 1.350 0.04 A 572 LEU C C 13 178.222 0.25 A 572 LEU CA C 13 58.316 0.25 A 572 LEU CB C 13 41.446 0.25 A 572 LEU CD1 C 13 25.980 0.25 A 572 LEU CD2 C 13 23.879 0.25 A 572 LEU CG C 13 26.800 0.25 A 572 LEU N N 15 123.239 0.25 A 573 ALA H H 1 7.636 0.04 A 573 ALA HA H 1 3.704 0.04 A 573 ALA HB% H 1 1.276 0.04 A 573 ALA C C 13 180.552 0.25 A 573 ALA CA C 13 55.596 0.25 A 573 ALA CB C 13 19.404 0.25 A 573 ALA N N 15 120.107 0.25 A 574 SER H H 1 8.675 0.04 A 574 SER HA H 1 4.415 0.04 A 574 SER HB2 H 1 4.020 0.04 A 574 SER HB3 H 1 4.080 0.04 A 574 SER C C 13 177.418 0.25 A 574 SER CA C 13 61.750 0.25 A 574 SER CB C 13 62.688 0.25 A 574 SER N N 15 116.333 0.25 A 575 THR H H 1 8.870 0.04 A 575 THR HA H 1 4.001 0.04 A 575 THR HB H 1 4.283 0.04 A 575 THR HG2% H 1 1.210 0.04 A 575 THR C C 13 177.033 0.25 A 575 THR CA C 13 66.835 0.25 A 575 THR CB C 13 68.384 0.25 A 575 THR CG2 C 13 21.691 0.25 A 575 THR N N 15 120.659 0.25 A 576 GLY H H 1 8.687 0.04 A 576 GLY HA3 H 1 3.530 0.04 A 576 GLY C C 13 174.221 0.25 A 576 GLY CA C 13 47.808 0.25 A 576 GLY N N 15 108.168 0.25 A 577 SER H H 1 8.314 0.04 A 577 SER HA H 1 3.889 0.04 A 577 SER HB2 H 1 4.170 0.04 A 577 SER HB3 H 1 3.996 0.04 A 577 SER C C 13 174.830 0.25 A 577 SER CA C 13 63.606 0.25 A 577 SER CB C 13 62.564 0.25 A 577 SER N N 15 118.111 0.25 A 578 LEU H H 1 7.841 0.04 A 578 LEU HA H 1 3.785 0.04 A 578 LEU HB2 H 1 1.131 0.04 A 578 LEU HB3 H 1 1.890 0.04 A 578 LEU HD1% H 1 0.459 0.04 A 578 LEU HD2% H 1 0.480 0.04 A 578 LEU HG H 1 1.560 0.04 A 578 LEU C C 13 179.351 0.25 A 578 LEU CA C 13 58.109 0.25 A 578 LEU CB C 13 41.837 0.25 A 578 LEU CD1 C 13 25.999 0.25 A 578 LEU CD2 C 13 24.307 0.25 A 578 LEU CG C 13 27.800 0.25 A 578 LEU N N 15 122.532 0.25 A 579 VAL H H 1 8.789 0.04 A 579 VAL CA C 13 59.949 0.25 A 579 VAL CB C 13 31.167 0.25 A 579 VAL N N 15 122.455 0.25 A 582 ARG HA H 1 3.694 0.04 A 582 ARG C C 13 170.822 0.25 A 582 ARG CA C 13 58.211 0.25 A 582 ARG CB C 13 30.031 0.25 A 582 ARG CG C 13 28.307 0.25 A 583 LEU H H 1 7.100 0.04 A 583 LEU CA C 13 58.995 0.25 A 583 LEU CB C 13 42.668 0.25 A 583 LEU N N 15 118.579 0.25 A 585 PHE C C 13 176.850 0.25 A 585 PHE CA C 13 54.882 0.25 A 585 PHE CB C 13 41.019 0.25 A 586 LEU H H 1 8.147 0.04 A 586 LEU CA C 13 55.891 0.25 A 586 LEU CB C 13 42.021 0.25 A 586 LEU N N 15 122.944 0.25 A 587 GLU HA H 1 4.213 0.04 A 587 GLU HB2 H 1 1.941 0.04 A 587 GLU HB3 H 1 2.065 0.04 A 587 GLU HG3 H 1 2.256 0.04 A 587 GLU C C 13 176.917 0.25 A 587 GLU CA C 13 57.437 0.25 A 587 GLU CB C 13 30.047 0.25 A 587 GLU CG C 13 36.517 0.25 A 588 GLN H H 1 8.402 0.04 A 588 GLN CA C 13 57.300 0.25 A 588 GLN CB C 13 30.196 0.25 A 588 GLN N N 15 120.604 0.25 A 589 THR HA H 1 4.167 0.04 A 589 THR HB H 1 4.209 0.04 A 589 THR HG2% H 1 1.127 0.04 A 589 THR C C 13 174.851 0.25 A 589 THR CA C 13 62.959 0.25 A 589 THR CB C 13 69.693 0.25 A 589 THR CG2 C 13 21.546 0.25 A 590 ILE H H 1 8.028 0.04 A 590 ILE CA C 13 61.524 0.25 A 590 ILE CB C 13 38.402 0.25 A 590 ILE N N 15 123.158 0.25 A 591 ALA HA H 1 4.180 0.04 A 591 ALA HB% H 1 1.396 0.04 A 591 ALA C C 13 178.457 0.25 A 591 ALA CA C 13 53.569 0.25 A 591 ALA CB C 13 18.733 0.25 A 592 SER H H 1 7.946 0.04 A 592 SER HA H 1 4.290 0.04 A 592 SER HB2 H 1 3.860 0.04 A 592 SER HB3 H 1 3.900 0.04 A 592 SER C C 13 174.913 0.25 A 592 SER CA C 13 58.992 0.25 A 592 SER CB C 13 63.550 0.25 A 592 SER N N 15 113.507 0.25 A 593 LEU H H 1 7.901 0.04 A 593 LEU CA C 13 55.774 0.25 A 593 LEU CB C 13 42.119 0.25 A 593 LEU N N 15 122.847 0.25 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 save_