1 MET HA 1 MET HB2 3.33 #peak 2 1 MET HA 1 MET HB3 3.52 #peak 3 1 MET HA 1 MET HB2 4.10 #peak 6 1 MET HA 1 MET HB3 4.17 #peak 11 3 ASP- HA 3 ASP- QB 4.08 #peak 31 3 ASP- HA 3 ASP- QB 4.61 #peak 32 6 GLU- HA 6 GLU- QB 4.21 #peak 45 6 GLU- HA 6 GLU- QB 4.52 #peak 47 7 VAL HA 7 VAL HB 3.24 #peak 54 7 VAL HA 7 VAL HB 3.33 #peak 57 8 GLN HA 8 GLN HB2 4.20 #peak 70 8 GLN HA 8 GLN HB3 3.83 #peak 71 8 GLN HA 8 GLN HB2 4.01 #peak 73 8 GLN HA 8 GLN HB3 4.07 #peak 77 9 PHE HA 9 PHE HB2 3.45 #peak 86 9 PHE HA 9 PHE HB3 3.83 #peak 87 9 PHE HA 9 PHE HB2 4.10 #peak 88 9 PHE HA 9 PHE HB3 3.86 #peak 91 10 MET HA 10 MET QB 4.52 #peak 95 10 MET HA 10 MET QB 4.76 #peak 97 11 LYS+ HA 11 LYS+ HB2 3.42 #peak 104 11 LYS+ HA 11 LYS+ HB3 3.86 #peak 105 11 LYS+ HA 11 LYS+ HB2 3.86 #peak 108 11 LYS+ HA 11 LYS+ HB3 3.67 #peak 113 12 PRO QB 12 PRO HA 5.04 #peak 128 12 PRO HA 12 PRO QB 5.11 #peak 131 13 PHE HA 13 PHE HB2 4.32 #peak 140 13 PHE HA 13 PHE HB3 4.10 #peak 141 13 PHE HA 13 PHE HB2 4.32 #peak 142 13 PHE HA 13 PHE HB3 3.92 #peak 145 14 ILE HA 14 ILE HB 3.86 #peak 149 14 ILE HA 14 ILE HB 4.17 #peak 154 16 GLU- HA 16 GLU- HB2 3.05 #peak 189 16 GLU- HA 16 GLU- HB3 3.11 #peak 190 16 GLU- HA 16 GLU- HB2 3.17 #peak 192 16 GLU- HA 16 GLU- HB3 3.21 #peak 196 17 LYS+ HA 17 LYS+ HB2 3.70 #peak 205 17 LYS+ HA 17 LYS+ HB3 3.89 #peak 206 17 LYS+ HA 17 LYS+ HB2 3.58 #peak 211 17 LYS+ HA 17 LYS+ HB3 3.73 #peak 218 18 SER HA 18 SER HB2 3.39 #peak 240 18 SER HA 18 SER HB3 3.89 #peak 241 18 SER HA 18 SER HB2 4.35 #peak 242 18 SER HA 18 SER HB3 4.26 #peak 245 20 LYS+ HA 20 LYS+ HB2 4.82 #peak 253 20 LYS+ HA 20 LYS+ HB3 3.61 #peak 254 20 LYS+ HA 20 LYS+ HB2 3.83 #peak 256 20 LYS+ HA 20 LYS+ HB3 3.73 #peak 260 21 SER HA 21 SER HB2 3.61 #peak 266 22 LEU HA 22 LEU HB2 3.83 #peak 269 22 LEU HA 22 LEU HB3 4.97 #peak 270 22 LEU HA 22 LEU HB2 4.42 #peak 271 22 LEU HA 22 LEU HB3 4.10 #peak 274 23 GLU- HA 23 GLU- HB2 3.70 #peak 278 23 GLU- HA 23 GLU- HB3 3.89 #peak 279 23 GLU- HA 23 GLU- HB3 4.26 #peak 283 25 PRO HB2 25 PRO HA 3.30 #peak 287 25 PRO HB3 25 PRO HA 3.14 #peak 288 25 PRO HA 25 PRO HB2 3.24 #peak 289 25 PRO HA 25 PRO HB3 3.52 #peak 292 26 LEU HA 26 LEU QB 4.49 #peak 297 28 PHE HA 28 PHE HB2 3.48 #peak 301 28 PHE HA 28 PHE HB2 3.95 #peak 302 29 ASN HA 29 ASN QB 4.67 #peak 305 29 ASN HA 29 ASN QB 4.98 #peak 306 30 GLU- HA 30 GLU- QB 3.96 #peak 309 30 GLU- HA 30 GLU- QB 4.30 #peak 310 31 TYR HA 31 TYR HB2 4.42 #peak 313 31 TYR HA 31 TYR HB3 4.69 #peak 314 31 TYR HA 31 TYR HB2 3.89 #peak 315 31 TYR HA 31 TYR HB3 4.07 #peak 318 37 PRO HA 37 PRO HB2 3.33 #peak 324 37 PRO HA 37 PRO HB3 3.42 #peak 327 39 THR HA 39 THR HB 3.45 #peak 332 39 THR HA 39 THR HB 3.67 #peak 333 40 VAL HA 40 VAL HB 3.58 #peak 336 40 VAL HA 40 VAL HB 3.52 #peak 337 41 ASP- HA 41 ASP- HB2 3.83 #peak 340 41 ASP- HA 41 ASP- HB2 3.95 #peak 341 42 LEU HA 42 LEU HB2 4.10 #peak 344 42 LEU HA 42 LEU HB3 4.14 #peak 345 43 LEU HA 43 LEU HB2 4.17 #peak 348 43 LEU HA 43 LEU HB3 4.63 #peak 349 43 LEU HA 43 LEU HB2 3.64 #peak 350 43 LEU HA 43 LEU HB3 3.89 #peak 353 58 GLY HA2 58 GLY HA1 3.14 #peak 357 58 GLY HA1 58 GLY HA2 3.17 #peak 358 48 ARG+ HA 48 ARG+ HB2 3.89 #peak 361 48 ARG+ HA 48 ARG+ HB3 3.70 #peak 362 48 ARG+ HA 48 ARG+ HB2 4.69 #peak 363 48 ARG+ HA 48 ARG+ HB3 4.35 #peak 366 49 SER HA 49 SER QB 4.89 #peak 370 49 SER HA 49 SER QB 4.36 #peak 371 50 TRP HA 50 TRP HB2 5.50 #peak 374 50 TRP HA 50 TRP HB2 4.42 #peak 375 51 THR HA 51 THR HB 4.42 #peak 379 52 VAL HA 52 VAL HB 3.73 #peak 382 52 VAL HA 52 VAL HB 3.76 #peak 383 53 ARG+ HA 53 ARG+ HB2 4.57 #peak 386 53 ARG+ HA 53 ARG+ HB2 4.23 #peak 387 54 MET HA 54 MET QB 4.89 #peak 390 54 MET HA 54 MET QB 5.26 #peak 391 55 LYS+ HA 55 LYS+ HB3 4.14 #peak 394 55 LYS+ HA 55 LYS+ HB3 3.58 #peak 395 56 LYS+ HA 56 LYS+ HB2 3.42 #peak 398 56 LYS+ HA 56 LYS+ HB3 4.23 #peak 399 56 LYS+ HA 56 LYS+ HB2 3.58 #peak 400 56 LYS+ HA 56 LYS+ HB3 3.73 #peak 403 47 GLY HA2 47 GLY HA1 2.86 #peak 407 47 GLY HA1 47 GLY HA2 2.86 #peak 408 59 GLU- HA 59 GLU- HB2 3.05 #peak 411 59 GLU- HA 59 GLU- HB3 3.24 #peak 412 59 GLU- HA 59 GLU- HB2 3.27 #peak 413 59 GLU- HA 59 GLU- HB3 3.30 #peak 416 60 LYS+ HA 60 LYS+ HB2 3.83 #peak 420 60 LYS+ HA 60 LYS+ HB3 4.26 #peak 421 60 LYS+ HA 60 LYS+ HB2 4.01 #peak 422 60 LYS+ HA 60 LYS+ HB3 4.20 #peak 425 61 VAL HA 61 VAL HB 4.04 #peak 429 61 VAL HA 61 VAL HB 3.98 #peak 430 62 PHE HA 62 PHE QB 4.67 #peak 433 62 PHE HA 62 PHE QB 5.26 #peak 434 63 LEU HA 63 LEU HB2 5.00 #peak 437 63 LEU HA 63 LEU HB2 4.69 #peak 438 64 THR HA 64 THR HB 4.66 #peak 441 64 THR HA 64 THR HB 3.98 #peak 442 65 VAL HA 65 VAL HB 4.04 #peak 445 65 VAL HA 65 VAL HB 3.86 #peak 446 66 GLY HA2 66 GLY HA1 3.05 #peak 449 66 GLY HA1 66 GLY HA2 3.08 #peak 450 67 TRP HA 67 TRP HB2 4.07 #peak 453 67 TRP HA 67 TRP HB3 3.92 #peak 454 67 TRP HA 67 TRP HB2 5.38 #peak 455 67 TRP HA 67 TRP HB3 4.66 #peak 458 68 GLU- HA 68 GLU- QB 4.24 #peak 462 68 GLU- HA 68 GLU- QB 4.24 #peak 463 69 ASN HA 69 ASN HB2 3.55 #peak 466 69 ASN HA 69 ASN HB3 3.52 #peak 467 69 ASN HA 69 ASN HB2 3.67 #peak 468 69 ASN HA 69 ASN HB3 3.83 #peak 471 70 PHE HA 70 PHE QB 4.89 #peak 475 70 PHE HA 70 PHE QB 4.73 #peak 476 72 LYS+ HA 72 LYS+ QB 4.08 #peak 483 72 LYS+ HA 72 LYS+ QB 4.33 #peak 484 73 ASP- HA 73 ASP- HB2 3.33 #peak 487 73 ASP- HA 73 ASP- HB2 3.67 #peak 488 74 ASN HA 74 ASN HB2 3.58 #peak 491 74 ASN HA 74 ASN HB2 3.86 #peak 492 75 ASN HA 75 ASN HB2 3.21 #peak 495 75 ASN HA 75 ASN HB3 3.33 #peak 496 75 ASN HA 75 ASN HB2 3.11 #peak 497 75 ASN HA 75 ASN HB3 3.21 #peak 500 76 LEU HA 76 LEU HB2 3.79 #peak 504 76 LEU HA 76 LEU HB3 3.89 #peak 505 76 LEU HA 76 LEU HB2 4.32 #peak 506 76 LEU HA 76 LEU HB3 3.98 #peak 509 77 GLU- HA 77 GLU- HB2 3.27 #peak 513 77 GLU- HA 77 GLU- HB3 3.58 #peak 514 77 GLU- HA 77 GLU- HB2 3.58 #peak 515 77 GLU- HA 77 GLU- HB3 3.67 #peak 518 78 ASP- HA 78 ASP- QB 5.29 #peak 522 78 ASP- HA 78 ASP- QB 4.73 #peak 523 79 GLY HA2 79 GLY HA1 2.71 #peak 526 79 GLY HA1 79 GLY HA2 2.74 #peak 527 81 TYR HA 81 TYR HB2 5.50 #peak 531 81 TYR HA 81 TYR HB3 5.50 #peak 532 81 TYR HA 81 TYR HB2 4.66 #peak 533 81 TYR HA 81 TYR HB3 3.92 #peak 536 82 LEU HA 82 LEU HB2 3.79 #peak 540 82 LEU HA 82 LEU HB3 3.89 #peak 541 82 LEU HA 82 LEU HB2 4.20 #peak 542 82 LEU HA 82 LEU HB3 4.04 #peak 545 84 PHE HA 84 PHE HB2 3.86 #peak 558 84 PHE HA 84 PHE HB3 4.14 #peak 559 84 PHE HA 84 PHE HB2 4.60 #peak 560 84 PHE HA 84 PHE HB3 4.23 #peak 563 85 ILE HA 85 ILE HB 4.32 #peak 567 85 ILE HA 85 ILE HB 5.25 #peak 568 86 TYR HA 86 TYR HB2 4.54 #peak 571 86 TYR HA 86 TYR HB3 4.72 #peak 572 86 TYR HA 86 TYR HB2 5.34 #peak 573 86 TYR HA 86 TYR HB3 5.50 #peak 576 88 ARG+ HA 88 ARG+ QB 4.89 #peak 580 88 ARG+ HA 88 ARG+ QB 5.11 #peak 581 89 ASP- HA 89 ASP- HB2 4.69 #peak 584 89 ASP- HA 89 ASP- HB3 3.39 #peak 585 89 ASP- HA 89 ASP- HB2 4.01 #peak 586 89 ASP- HA 89 ASP- HB3 3.70 #peak 589 90 ARG+ HA 90 ARG+ HB2 3.33 #peak 593 90 ARG+ HA 90 ARG+ HB3 3.64 #peak 594 90 ARG+ HA 90 ARG+ HB2 3.79 #peak 595 90 ARG+ HA 90 ARG+ HB3 4.32 #peak 598 92 PHE HA 92 PHE HB2 3.92 #peak 603 92 PHE HA 92 PHE HB3 3.98 #peak 604 92 PHE HA 92 PHE HB3 4.60 #peak 608 93 TYR HA 93 TYR HB2 4.04 #peak 612 93 TYR HA 93 TYR HB2 4.07 #peak 613 94 VAL HA 94 VAL HB 4.79 #peak 616 94 VAL HA 94 VAL HB 3.58 #peak 617 95 ILE HA 95 ILE HB 4.04 #peak 620 95 ILE HA 95 ILE HB 4.60 #peak 621 96 ILE HA 96 ILE HB 4.32 #peak 624 96 ILE HA 96 ILE HB 4.32 #peak 625 97 TYR HA 97 TYR HB2 5.28 #peak 628 97 TYR HA 97 TYR HB3 3.42 #peak 629 97 TYR HA 97 TYR HB2 4.48 #peak 630 97 TYR HA 97 TYR HB3 3.70 #peak 633 99 HIS HA 99 HIS QB 6.22 #peak 636 100 ASN HA 100 ASN HB2 3.36 #peak 639 100 ASN HA 100 ASN HB3 3.39 #peak 640 100 ASN HA 100 ASN HB2 3.52 #peak 641 100 ASN HA 100 ASN HB3 3.52 #peak 644 21 SER HA 21 SER HB3 3.86 #peak 647 21 SER HA 21 SER HB2 3.42 #peak 648 21 SER HA 21 SER HB3 3.64 #peak 649 28 PHE HA 28 PHE HB3 3.76 #peak 700 41 ASP- HA 41 ASP- HB3 4.14 #peak 759 41 ASP- HA 41 ASP- HB3 3.89 #peak 762 50 TRP HA 50 TRP HB3 5.50 #peak 793 20 LYS+ HA 20 LYS+ HB3 5.50 #peak 804 53 ARG+ HA 53 ARG+ HB3 3.58 #peak 805 55 LYS+ HA 55 LYS+ HB2 4.10 #peak 826 63 LEU HA 63 LEU HB3 4.60 #peak 883 71 VAL HA 71 VAL HB 4.04 #peak 925 74 ASN HA 74 ASN HB3 3.83 #peak 947 73 ASP- HA 73 ASP- HB3 3.36 #peak 949 77 GLU- HA 77 GLU- HB2 3.27 #peak 964 83 GLN HA 83 GLN HB3 4.45 #peak 1001 83 GLN HA 83 GLN HB2 5.50 #peak 1002 93 TYR HA 93 TYR HB3 3.86 #peak 1051 2 ALA HA 3 ASP- HN 3.33 #peak 1484 4 THR HN 4 THR HA 3.89 #peak 1489 4 THR HA 5 GLY HN 3.55 #peak 1490 4 THR HN 4 THR HB 4.20 #peak 1493 4 THR HB 5 GLY HN 4.04 #peak 1496 5 GLY HA1 6 GLU- HN 3.30 #peak 1505 5 GLY HN 5 GLY HA1 3.48 #peak 1506 5 GLY HA2 6 GLU- HN 3.17 #peak 1507 5 GLY HN 5 GLY HA2 3.52 #peak 1508 6 GLU- HA 7 VAL HN 2.90 #peak 1509 6 GLU- HN 6 GLU- QB 4.83 #peak 1526 6 GLU- QB 7 VAL HN 4.70 #peak 1527 7 VAL HN 7 VAL HA 3.52 #peak 1530 7 VAL HA 8 GLN HN 2.90 #peak 1531 7 VAL HN 7 VAL HB 4.20 #peak 1533 7 VAL HB 8 GLN HN 3.36 #peak 1534 8 GLN HN 8 GLN HA 3.64 #peak 1549 8 GLN HN 8 GLN HB2 3.55 #peak 1550 8 GLN HA 9 PHE HN 3.45 #peak 1554 8 GLN HN 8 GLN HB3 3.64 #peak 1556 8 GLN HB3 9 PHE HN 4.42 #peak 1557 9 PHE HA 10 MET HN 3.42 #peak 1561 9 PHE HB3 10 MET HN 4.17 #peak 1564 9 PHE HB2 10 MET HN 4.14 #peak 1565 10 MET HA 83 GLN HA 3.58 #peak 1566 10 MET HN 10 MET QB 4.80 #peak 1572 10 MET QB 11 LYS+ HN 5.23 #peak 1573 10 MET HN 10 MET HA 3.83 #peak 1574 10 MET HA 11 LYS+ HN 3.21 #peak 1575 82 LEU HA 83 GLN HN 3.36 #peak 1598 24 ILE HN 24 ILE HB 3.76 #peak 1601 54 MET QB 55 LYS+ HN 5.66 #peak 1602 11 LYS+ HN 11 LYS+ HB3 4.01 #peak 1603 11 LYS+ HN 11 LYS+ HB2 3.83 #peak 1604 12 PRO HA 13 PHE HN 3.52 #peak 1606 12 PRO QB 13 PHE HN 5.38 #peak 1609 82 LEU HN 82 LEU HA 3.67 #peak 1614 13 PHE HA 14 ILE HN 3.30 #peak 1621 13 PHE HN 13 PHE HA 3.89 #peak 1622 13 PHE HN 13 PHE HB2 3.98 #peak 1624 13 PHE HN 13 PHE HB3 3.92 #peak 1626 14 ILE HA 78 ASP- HA 3.89 #peak 1629 14 ILE HA 15 SER HN 3.24 #peak 1630 14 ILE HB 17 LYS+ HN 4.29 #peak 1631 14 ILE HN 14 ILE HB 3.61 #peak 1632 68 GLU- HA 71 VAL HB 3.39 #peak 1658 68 GLU- HA 71 VAL HN 3.89 #peak 1662 68 GLU- HA 72 LYS+ HN 4.01 #peak 1663 68 GLU- HN 68 GLU- HA 3.48 #peak 1664 16 GLU- HA 17 LYS+ HN 4.14 #peak 1666 16 GLU- HN 16 GLU- HA 3.79 #peak 1667 16 GLU- HB3 17 LYS+ HN 3.92 #peak 1671 16 GLU- HB2 17 LYS+ HN 3.98 #peak 1673 16 GLU- HN 16 GLU- HB2 3.64 #peak 1674 16 GLU- HN 16 GLU- HB3 3.67 #peak 1675 15 SER HA 15 SER QB 4.11 #peak 1682 15 SER QB 17 LYS+ HN 5.11 #peak 1684 15 SER HN 15 SER QB 5.11 #peak 1686 15 SER HA 17 LYS+ HN 3.58 #peak 1689 15 SER HA 78 ASP- HN 4.01 #peak 1691 15 SER HA 16 GLU- HN 3.98 #peak 1692 15 SER HN 15 SER HA 3.30 #peak 1693 17 LYS+ HN 17 LYS+ HB2 3.95 #peak 1694 17 LYS+ HB2 18 SER HN 4.45 #peak 1695 17 LYS+ HN 17 LYS+ HB3 4.10 #peak 1696 17 LYS+ HB3 18 SER HN 4.14 #peak 1697 18 SER HN 18 SER HA 3.89 #peak 1702 18 SER HA 21 SER HN 3.61 #peak 1703 18 SER HA 20 LYS+ HN 4.01 #peak 1704 14 ILE HN 18 SER HB3 4.35 #peak 1707 18 SER HN 18 SER HB3 4.10 #peak 1708 20 LYS+ HN 20 LYS+ HB3 4.10 #peak 1714 20 LYS+ HN 20 LYS+ HB2 4.54 #peak 1715 21 SER HB3 22 LEU HN 3.86 #peak 1725 21 SER HB2 22 LEU HN 3.76 #peak 1726 22 LEU HN 22 LEU HB2 4.66 #peak 1732 22 LEU HN 22 LEU HB3 4.54 #peak 1733 22 LEU HB3 23 GLU- HN 4.63 #peak 1734 23 GLU- HA 62 PHE HA 3.79 #peak 1780 23 GLU- HA 24 ILE HN 3.45 #peak 1782 23 GLU- HA 63 LEU HN 4.20 #peak 1783 23 GLU- HN 23 GLU- HB2 4.26 #peak 1786 23 GLU- HN 23 GLU- HA 4.35 #peak 1788 23 GLU- HN 23 GLU- HB3 4.26 #peak 1790 24 ILE HN 24 ILE HA 4.42 #peak 1793 19 SER HN 19 SER HA 3.61 #peak 1843 19 SER HA 20 LYS+ HN 3.79 #peak 1844 25 PRO HA 26 LEU HN 3.08 #peak 1845 25 PRO HB2 26 LEU HN 3.95 #peak 1846 26 LEU HA 26 LEU QB 4.24 #peak 1865 26 LEU HN 26 LEU HA 3.55 #peak 1877 26 LEU HA 27 GLY HN 3.98 #peak 1878 26 LEU HN 26 LEU QB 4.58 #peak 1879 26 LEU QB 27 GLY HN 5.35 #peak 1880 27 GLY HA2 28 PHE HN 4.10 #peak 1887 27 GLY HN 27 GLY HA2 4.10 #peak 1888 27 GLY HA1 28 PHE HN 4.26 #peak 1889 27 GLY HN 27 GLY HA1 4.42 #peak 1890 28 PHE HN 28 PHE HA 3.98 #peak 1895 28 PHE HN 28 PHE HB3 3.76 #peak 1898 28 PHE HN 28 PHE HB2 3.92 #peak 1899 70 PHE HN 73 ASP- HB2 3.89 #peak 1902 30 GLU- HN 30 GLU- HA 3.21 #peak 1912 30 GLU- HN 30 GLU- QB 4.39 #peak 1919 30 GLU- HN 30 GLU- QB 4.39 #peak 1920 30 GLU- HA 31 TYR HN 3.21 #peak 1921 31 TYR HN 31 TYR HB3 3.76 #peak 1925 31 TYR HN 31 TYR HB2 4.35 #peak 1927 35 PRO HA 35 PRO HB2 3.08 #peak 1932 35 PRO HA 35 PRO HB3 3.08 #peak 1937 35 PRO HB2 36 PHE HN 3.79 #peak 1953 35 PRO HB3 36 PHE HN 3.61 #peak 1955 32 PHE HN 32 PHE HA 3.92 #peak 1990 32 PHE HN 32 PHE QB 4.98 #peak 1993 32 PHE HA 32 PHE QB 4.95 #peak 1998 37 PRO HB2 38 ILE HN 3.89 #peak 2002 37 PRO HB2 39 THR HN 4.45 #peak 2004 37 PRO HB3 38 ILE HN 4.07 #peak 2027 38 ILE HA 38 ILE HB 3.27 #peak 2040 38 ILE HA 38 ILE HB 3.27 #peak 2070 39 THR HB 40 VAL HN 3.52 #peak 2074 39 THR HA 54 MET HN 3.70 #peak 2075 39 THR HN 39 THR HA 4.23 #peak 2076 39 THR HA 53 ARG+ HN 3.83 #peak 2077 39 THR HA 40 VAL HN 3.42 #peak 2078 38 ILE HA 39 THR HN 3.70 #peak 2083 38 ILE HB 39 THR HN 3.42 #peak 2085 38 ILE HN 38 ILE HB 3.24 #peak 2086 41 ASP- HA 51 THR HA 3.73 #peak 2121 42 LEU HA 42 LEU HB3 3.95 #peak 2128 40 VAL HA 41 ASP- HN 3.73 #peak 2132 41 ASP- HN 41 ASP- HA 4.38 #peak 2141 41 ASP- HA 42 LEU HN 3.17 #peak 2142 41 ASP- HN 41 ASP- HB2 4.07 #peak 2143 41 ASP- HB2 42 LEU HN 4.20 #peak 2144 41 ASP- HN 41 ASP- HB3 3.79 #peak 2146 41 ASP- HB3 42 LEU HN 4.38 #peak 2147 42 LEU HA 43 LEU HN 3.36 #peak 2148 42 LEU HN 42 LEU HA 4.10 #peak 2149 42 LEU HA 42 LEU HB2 4.14 #peak 2162 42 LEU HN 42 LEU HB3 4.17 #peak 2193 42 LEU HN 42 LEU HB2 4.48 #peak 2194 43 LEU HA 44 ASP- HN 3.73 #peak 2209 43 LEU HN 43 LEU HA 4.57 #peak 2210 43 LEU HB2 44 ASP- HN 4.07 #peak 2212 43 LEU HN 43 LEU HB2 3.86 #peak 2213 43 LEU HB3 44 ASP- HN 4.26 #peak 2265 43 LEU HN 43 LEU HB3 3.67 #peak 2267 47 GLY HA1 48 ARG+ HN 3.79 #peak 2269 47 GLY HA2 48 ARG+ HN 3.58 #peak 2270 47 GLY HN 47 GLY HA2 4.17 #peak 2271 48 ARG+ HA 49 SER HN 3.02 #peak 2272 48 ARG+ HN 48 ARG+ HA 3.76 #peak 2274 48 ARG+ HN 48 ARG+ HB2 3.64 #peak 2275 48 ARG+ HB3 49 SER HN 4.63 #peak 2276 48 ARG+ HN 48 ARG+ HB3 4.29 #peak 2277 86 TYR HB3 87 ASP- HN 4.14 #peak 2298 49 SER HN 49 SER QB 4.73 #peak 2331 50 TRP HB2 51 THR HN 4.48 #peak 2336 50 TRP HN 50 TRP HB2 4.51 #peak 2337 50 TRP HA 50 TRP HB3 4.29 #peak 2339 50 TRP HN 50 TRP HB3 5.19 #peak 2342 41 ASP- HA 51 THR HA 3.70 #peak 2343 41 ASP- HN 91 THR HA 3.92 #peak 2353 91 THR HA 92 PHE HN 3.21 #peak 2354 51 THR HN 51 THR HA 4.20 #peak 2355 51 THR HA 52 VAL HN 3.24 #peak 2356 51 THR HN 51 THR HB 3.48 #peak 2357 51 THR HB 52 VAL HN 4.38 #peak 2358 52 VAL HB 53 ARG+ HN 4.04 #peak 2362 52 VAL HN 52 VAL HB 3.95 #peak 2364 52 VAL HA 53 ARG+ HN 3.24 #peak 2365 52 VAL HN 52 VAL HA 4.14 #peak 2366 53 ARG+ HA 53 ARG+ HB3 4.32 #peak 2415 53 ARG+ HN 53 ARG+ HB3 3.61 #peak 2416 53 ARG+ HN 53 ARG+ HB2 3.73 #peak 2420 54 MET HN 54 MET HA 4.17 #peak 2466 54 MET HA 55 LYS+ HN 3.39 #peak 2467 54 MET QB 55 LYS+ HN 5.57 #peak 2468 54 MET HN 54 MET QB 5.69 #peak 2469 11 LYS+ HA 11 LYS+ HB3 4.04 #peak 2470 55 LYS+ HA 55 LYS+ HB2 3.61 #peak 2491 30 GLU- HA 30 GLU- QB 4.39 #peak 2498 30 GLU- HN 30 GLU- QB 4.55 #peak 2508 55 LYS+ HB3 56 LYS+ HN 4.10 #peak 2513 55 LYS+ HN 55 LYS+ HB3 3.76 #peak 2514 55 LYS+ HB2 56 LYS+ HN 4.32 #peak 2515 55 LYS+ HN 55 LYS+ HB2 3.73 #peak 2516 56 LYS+ HA 57 ARG+ HN 3.08 #peak 2519 56 LYS+ HN 56 LYS+ HA 3.89 #peak 2520 56 LYS+ HN 56 LYS+ HB2 3.52 #peak 2521 56 LYS+ HB2 57 ARG+ HN 3.86 #peak 2522 56 LYS+ HN 56 LYS+ HB3 3.61 #peak 2523 56 LYS+ HB3 57 ARG+ HN 3.98 #peak 2524 81 TYR HA 81 TYR HB3 3.61 #peak 2555 81 TYR HN 81 TYR HB3 4.20 #peak 2570 81 TYR HB3 82 LEU HN 4.42 #peak 2571 58 GLY HA1 59 GLU- HN 4.29 #peak 2573 58 GLY HA2 60 LYS+ HN 4.85 #peak 2574 58 GLY HA2 59 GLU- HN 4.29 #peak 2575 59 GLU- HA 60 LYS+ HN 4.01 #peak 2577 59 GLU- HB2 60 LYS+ HN 4.45 #peak 2578 59 GLU- HB3 60 LYS+ HN 4.72 #peak 2579 59 GLU- HN 59 GLU- HB3 4.32 #peak 2582 59 GLU- HN 59 GLU- HB2 4.35 #peak 2584 59 GLU- HN 59 GLU- HA 4.48 #peak 2585 60 LYS+ HN 60 LYS+ HB3 4.23 #peak 2597 60 LYS+ HN 60 LYS+ HB2 3.86 #peak 2600 61 VAL HN 61 VAL HB 3.95 #peak 2643 62 PHE HN 62 PHE QB 4.89 #peak 2645 62 PHE HA 63 LEU HN 3.30 #peak 2647 23 GLU- HA 62 PHE HA 4.07 #peak 2650 63 LEU HA 63 LEU HB3 4.60 #peak 2666 63 LEU HN 63 LEU HB3 4.79 #peak 2676 63 LEU HN 63 LEU HB2 4.82 #peak 2677 65 VAL HA 68 GLU- HN 3.42 #peak 2716 66 GLY HA2 68 GLU- HN 4.04 #peak 2723 66 GLY HA1 68 GLU- HN 3.76 #peak 2724 67 TRP HN 67 TRP HB2 4.07 #peak 2725 67 TRP HN 67 TRP HB3 4.26 #peak 2726 68 GLU- QB 69 ASN HN 4.89 #peak 2746 68 GLU- QB 72 LYS+ HN 5.97 #peak 2747 68 GLU- HN 68 GLU- QB 4.27 #peak 2748 69 ASN HB2 70 PHE HN 4.26 #peak 2753 69 ASN HN 69 ASN HB2 3.83 #peak 2755 69 ASN HB3 70 PHE HN 4.04 #peak 2758 69 ASN HN 69 ASN HB3 3.79 #peak 2760 70 PHE HN 70 PHE HA 3.61 #peak 2763 70 PHE HA 71 VAL HN 4.32 #peak 2765 70 PHE HN 70 PHE QB 4.95 #peak 2767 70 PHE QB 71 VAL HN 5.20 #peak 2768 71 VAL HN 71 VAL HA 3.58 #peak 2773 71 VAL HN 71 VAL HB 3.64 #peak 2808 71 VAL HB 72 LYS+ HN 3.61 #peak 2809 69 ASN HA 72 LYS+ QB 4.70 #peak 2818 72 LYS+ HN 72 LYS+ HA 3.21 #peak 2819 72 LYS+ HA 73 ASP- HN 4.07 #peak 2820 72 LYS+ HN 72 LYS+ QB 4.33 #peak 2821 72 LYS+ QB 73 ASP- HN 4.80 #peak 2822 73 ASP- HA 75 ASN HN 4.04 #peak 2826 73 ASP- HN 73 ASP- HA 3.45 #peak 2827 73 ASP- HA 74 ASN HN 4.10 #peak 2828 74 ASN HA 74 ASN HB3 4.07 #peak 2836 75 ASN HB3 76 LEU HN 3.45 #peak 2838 75 ASN HN 75 ASN HB3 3.67 #peak 2839 75 ASN HN 75 ASN HB2 3.58 #peak 2841 75 ASN HB2 76 LEU HN 3.36 #peak 2842 75 ASN HA 76 LEU HN 3.30 #peak 2843 75 ASN HN 75 ASN HA 2.93 #peak 2844 74 ASN HN 74 ASN HB3 4.04 #peak 2846 74 ASN HB3 75 ASN HN 4.85 #peak 2847 74 ASN HN 74 ASN HB2 3.98 #peak 2849 74 ASN HN 74 ASN HA 3.58 #peak 2850 76 LEU HA 77 GLU- HN 3.21 #peak 2886 76 LEU HN 76 LEU HA 3.83 #peak 2887 76 LEU HB2 77 GLU- HN 4.79 #peak 2888 76 LEU HN 76 LEU HB2 4.04 #peak 2889 76 LEU HB3 77 GLU- HN 4.38 #peak 2890 76 LEU HN 76 LEU HB3 4.32 #peak 2891 77 GLU- HN 77 GLU- HB2 4.26 #peak 2907 77 GLU- HB2 78 ASP- HN 3.55 #peak 2908 77 GLU- HN 77 GLU- HB3 4.07 #peak 2909 77 GLU- HB3 78 ASP- HN 3.58 #peak 2910 78 ASP- HN 78 ASP- QB 4.55 #peak 2916 78 ASP- QB 79 GLY HN 5.14 #peak 2917 79 GLY HA2 80 LYS+ HN 3.83 #peak 2918 79 GLY HN 79 GLY HA2 3.33 #peak 2919 79 GLY HN 79 GLY HA1 3.33 #peak 2920 80 LYS+ HA 81 TYR HN 3.14 #peak 2935 82 LEU HN 82 LEU HB2 4.04 #peak 2970 82 LEU HN 82 LEU HB3 4.14 #peak 2972 82 LEU HB3 83 GLN HN 4.23 #peak 2973 33 PRO HB3 34 ALA HN 3.52 #peak 2990 83 GLN HA 84 PHE HN 3.42 #peak 2994 84 PHE HN 84 PHE HB2 4.17 #peak 2998 84 PHE HN 84 PHE HB3 3.98 #peak 3001 85 ILE HN 85 ILE HB 3.73 #peak 3002 88 ARG+ HA 89 ASP- HN 4.23 #peak 3067 89 ASP- HN 89 ASP- HB2 4.17 #peak 3068 89 ASP- HB2 90 ARG+ HN 3.89 #peak 3069 89 ASP- HN 89 ASP- HB3 3.95 #peak 3070 89 ASP- HB3 90 ARG+ HN 3.79 #peak 3071 91 THR HA 91 THR HB 4.76 #peak 3086 91 THR HN 91 THR HB 3.95 #peak 3097 92 PHE HA 93 TYR HN 3.14 #peak 3105 92 PHE HB3 93 TYR HN 3.98 #peak 3108 92 PHE HB2 93 TYR HN 4.42 #peak 3113 93 TYR HA 93 TYR HB3 3.95 #peak 3116 93 TYR HB3 94 VAL HN 4.38 #peak 3123 93 TYR HN 93 TYR HB3 3.86 #peak 3124 93 TYR HN 93 TYR HB2 4.04 #peak 3126 93 TYR HA 94 VAL HN 3.21 #peak 3127 43 LEU HN 93 TYR HA 3.98 #peak 3128 93 TYR HN 93 TYR HA 4.04 #peak 3129 93 TYR HB2 94 VAL HN 4.45 #peak 3130 94 VAL HN 94 VAL HB 3.76 #peak 3133 94 VAL HB 95 ILE HN 4.54 #peak 3134 94 VAL HA 95 ILE HN 3.52 #peak 3136 95 ILE HA 96 ILE HN 3.14 #peak 3200 95 ILE HN 95 ILE HB 3.76 #peak 3203 96 ILE HN 96 ILE HB 3.45 #peak 3250 98 GLY HA2 98 GLY HA1 3.02 #peak 3259 98 GLY HA1 98 GLY HA2 2.90 #peak 3260 98 GLY HN 98 GLY HA2 4.29 #peak 3261 49 SER QB 50 TRP HN 4.73 #peak 3270 49 SER HA 50 TRP HN 3.64 #peak 3271 46 SER HN 46 SER HB2 4.04 #peak 3280 46 SER HN 46 SER HB3 4.01 #peak 3281 46 SER HB2 48 ARG+ HN 4.10 #peak 3282 33 PRO HA 33 PRO HB3 3.42 #peak 3317 15 SER HA 15 SER QB 4.02 #peak 3324 36 PHE HN 36 PHE HB3 3.36 #peak 3333 36 PHE HN 36 PHE HB2 3.30 #peak 3334 36 PHE HA 36 PHE HB2 3.36 #peak 3339 36 PHE HA 36 PHE HB3 3.39 #peak 3343 37 PRO HA 38 ILE HN 2.96 #peak 3360 33 PRO HA 33 PRO HB3 3.52 #peak 3368 33 PRO HB2 34 ALA HN 3.89 #peak 3372 33 PRO HB3 34 ALA HN 3.52 #peak 3375 33 PRO HA 33 PRO HB2 3.55 #peak 3376 1 MET HA 1 MET HG2 4.88 #peak 4 1 MET HA 1 MET HG3 4.35 #peak 5 1 MET HB3 1 MET HB2 2.40 #peak 8 1 MET HB2 1 MET HG2 3.36 #peak 9 1 MET HB2 1 MET HG3 3.05 #peak 10 1 MET HB2 1 MET HB3 2.40 #peak 12 1 MET HB3 1 MET HG2 3.48 #peak 14 1 MET HB3 1 MET HG3 3.36 #peak 15 1 MET HA 1 MET HG2 5.50 #peak 16 10 MET QB 10 MET HG3 4.08 #peak 17 1 MET HB3 1 MET HG2 2.90 #peak 18 1 MET HG3 1 MET HG2 2.40 #peak 20 1 MET HA 1 MET HG3 5.50 #peak 21 1 MET HB2 1 MET HG3 2.86 #peak 22 1 MET HB3 1 MET HG3 3.02 #peak 23 1 MET HG2 1 MET HG3 2.40 #peak 24 6 GLU- HA 6 GLU- QG 5.26 #peak 46 6 GLU- QB 6 GLU- QG 5.67 #peak 49 6 GLU- HA 6 GLU- QG 5.11 #peak 50 6 GLU- QB 6 GLU- QG 5.36 #peak 51 8 GLN HA 8 GLN QG 5.23 #peak 72 8 GLN HB3 8 GLN HB2 2.59 #peak 75 8 GLN HB2 8 GLN QG 4.49 #peak 76 8 GLN HB2 8 GLN HB3 2.80 #peak 78 8 GLN HB3 8 GLN QG 4.45 #peak 80 8 GLN HA 8 GLN QG 6.13 #peak 81 8 GLN HB2 8 GLN QG 4.92 #peak 82 8 GLN HB3 8 GLN QG 4.95 #peak 83 9 PHE HB3 9 PHE HB2 3.86 #peak 90 9 PHE HB2 9 PHE HB3 3.83 #peak 92 10 MET HA 10 MET HG3 4.57 #peak 96 10 MET QB 10 MET HG3 5.23 #peak 99 10 MET HA 10 MET HG3 4.63 #peak 100 10 MET QB 10 MET HG3 4.33 #peak 101 11 LYS+ HA 11 LYS+ QD 5.76 #peak 106 11 LYS+ HA 11 LYS+ QE 6.38 #peak 107 11 LYS+ HB3 11 LYS+ HB2 2.96 #peak 110 11 LYS+ HB2 11 LYS+ QD 4.92 #peak 111 11 LYS+ HB2 11 LYS+ QE 6.38 #peak 112 11 LYS+ HB2 11 LYS+ HB3 2.90 #peak 114 11 LYS+ HB3 11 LYS+ QE 6.38 #peak 117 11 LYS+ HA 11 LYS+ QE 6.38 #peak 118 11 LYS+ HB2 11 LYS+ QE 5.51 #peak 119 72 LYS+ QB 72 LYS+ QE 6.35 #peak 120 11 LYS+ QD 11 LYS+ QE 4.65 #peak 121 12 PRO HA 12 PRO QD 6.38 #peak 123 12 PRO QB 12 PRO QD 7.22 #peak 124 12 PRO QG 12 PRO QD 6.94 #peak 125 12 PRO QG 12 PRO HA 5.54 #peak 129 12 PRO QD 12 PRO HA 6.38 #peak 130 12 PRO QG 12 PRO QB 5.98 #peak 133 12 PRO QD 12 PRO QB 7.25 #peak 134 12 PRO HA 12 PRO QG 6.07 #peak 135 12 PRO QB 12 PRO QG 6.66 #peak 136 12 PRO QD 12 PRO QG 6.63 #peak 138 13 PHE HB3 13 PHE HB2 4.29 #peak 144 13 PHE HB2 13 PHE HB3 4.10 #peak 146 14 ILE HA 14 ILE HG12 4.69 #peak 151 14 ILE HA 14 ILE HG13 5.50 #peak 152 14 ILE HB 14 ILE HG12 4.20 #peak 157 14 ILE HB 14 ILE HG13 5.00 #peak 158 14 ILE HA 14 ILE HG12 5.41 #peak 166 14 ILE HB 14 ILE HG12 3.83 #peak 167 14 ILE HG13 14 ILE HG12 2.96 #peak 170 14 ILE HA 14 ILE HG13 4.76 #peak 172 14 ILE HB 14 ILE HG13 4.14 #peak 173 14 ILE HG12 14 ILE HG13 2.93 #peak 175 16 GLU- HA 16 GLU- QG 5.26 #peak 191 16 GLU- HB3 16 GLU- HB2 2.40 #peak 194 16 GLU- HB2 16 GLU- QG 4.14 #peak 195 16 GLU- HB2 16 GLU- HB3 2.40 #peak 197 16 GLU- HB3 16 GLU- QG 4.21 #peak 199 16 GLU- HA 16 GLU- QG 6.38 #peak 200 16 GLU- HB2 16 GLU- QG 4.30 #peak 201 16 GLU- HB3 16 GLU- QG 4.67 #peak 202 17 LYS+ HA 17 LYS+ HG2 5.25 #peak 207 17 LYS+ HA 17 LYS+ HG3 5.50 #peak 208 17 LYS+ HA 17 LYS+ QD 5.69 #peak 209 17 LYS+ HA 17 LYS+ QE 6.38 #peak 210 17 LYS+ HB3 17 LYS+ HB2 3.17 #peak 213 17 LYS+ HB2 17 LYS+ HG2 4.38 #peak 214 17 LYS+ HB2 17 LYS+ HG3 4.35 #peak 215 17 LYS+ HB2 17 LYS+ QD 5.54 #peak 216 17 LYS+ HB2 17 LYS+ QE 6.38 #peak 217 17 LYS+ HB2 17 LYS+ HB3 3.27 #peak 219 17 LYS+ HB3 17 LYS+ HG2 3.11 #peak 221 17 LYS+ HB3 17 LYS+ HG3 3.64 #peak 222 17 LYS+ HB3 17 LYS+ QD 4.33 #peak 223 17 LYS+ HB3 17 LYS+ QE 6.38 #peak 224 17 LYS+ HA 17 LYS+ HG2 4.26 #peak 225 17 LYS+ HB2 17 LYS+ HG2 3.70 #peak 226 17 LYS+ HB3 17 LYS+ HG2 3.17 #peak 227 17 LYS+ HG3 17 LYS+ HG2 2.40 #peak 229 17 LYS+ HG2 17 LYS+ QD 3.99 #peak 230 17 LYS+ HG2 17 LYS+ QE 5.42 #peak 231 17 LYS+ HA 17 LYS+ HG3 4.17 #peak 232 17 LYS+ HB2 17 LYS+ HG3 3.08 #peak 233 17 LYS+ HB3 17 LYS+ HG3 2.83 #peak 234 17 LYS+ HG2 17 LYS+ HG3 2.40 #peak 235 17 LYS+ HG3 17 LYS+ QD 3.49 #peak 237 17 LYS+ HG3 17 LYS+ QE 5.04 #peak 238 18 SER HB3 18 SER HB2 5.50 #peak 244 18 SER HB2 18 SER HB3 4.26 #peak 246 20 LYS+ HA 20 LYS+ QE 6.38 #peak 255 20 LYS+ HB3 20 LYS+ HB2 3.21 #peak 258 20 LYS+ HB2 20 LYS+ QE 6.38 #peak 259 20 LYS+ HB2 20 LYS+ HB3 3.14 #peak 261 20 LYS+ HB3 20 LYS+ QE 6.38 #peak 263 22 LEU HB3 22 LEU HB2 4.57 #peak 273 22 LEU HB2 22 LEU HB3 4.04 #peak 275 23 GLU- HB3 23 GLU- HB2 4.10 #peak 282 23 GLU- HB2 23 GLU- HB3 4.45 #peak 284 25 PRO HB3 25 PRO HB2 2.93 #peak 291 25 PRO HB2 25 PRO HB3 3.30 #peak 293 31 TYR HB3 31 TYR HB2 4.45 #peak 317 31 TYR HB2 31 TYR HB3 4.66 #peak 319 37 PRO HB3 37 PRO HB2 2.93 #peak 326 37 PRO HB2 37 PRO HB3 3.08 #peak 328 43 LEU HB3 43 LEU HB2 3.30 #peak 352 43 LEU HB2 43 LEU HB3 3.17 #peak 354 48 ARG+ HB3 48 ARG+ HB2 4.45 #peak 365 48 ARG+ HB2 48 ARG+ HB3 4.57 #peak 367 56 LYS+ HB3 56 LYS+ HB2 2.68 #peak 402 56 LYS+ HB2 56 LYS+ HB3 2.86 #peak 404 59 GLU- HB3 59 GLU- HB2 2.80 #peak 415 59 GLU- HB2 59 GLU- HB3 2.49 #peak 417 60 LYS+ HB3 60 LYS+ HB2 3.52 #peak 424 60 LYS+ HB2 60 LYS+ HB3 3.89 #peak 426 67 TRP HB3 67 TRP HB2 4.72 #peak 457 67 TRP HB2 67 TRP HB3 4.63 #peak 459 69 ASN HB3 69 ASN HB2 2.68 #peak 470 69 ASN HB2 69 ASN HB3 3.70 #peak 472 75 ASN HB3 75 ASN HB2 2.40 #peak 499 75 ASN HB2 75 ASN HB3 2.40 #peak 501 76 LEU HB3 76 LEU HB2 4.17 #peak 508 76 LEU HB2 76 LEU HB3 3.89 #peak 510 77 GLU- HB3 77 GLU- HB2 2.83 #peak 517 77 GLU- HB2 77 GLU- HB3 2.49 #peak 519 81 TYR HB3 81 TYR HB2 4.17 #peak 535 81 TYR HB2 81 TYR HB3 4.29 #peak 537 82 LEU HB3 82 LEU HB2 3.55 #peak 544 82 LEU HB2 82 LEU HB3 3.98 #peak 546 83 GLN HA 83 GLN HG2 5.16 #peak 549 83 GLN HA 83 GLN HG3 5.50 #peak 550 83 GLN HA 83 GLN HG2 5.50 #peak 551 83 GLN HG3 83 GLN HG2 3.70 #peak 553 83 GLN HA 83 GLN HG3 5.50 #peak 554 83 GLN HG2 83 GLN HG3 3.70 #peak 555 84 PHE HB3 84 PHE HB2 4.23 #peak 562 84 PHE HB2 84 PHE HB3 4.17 #peak 564 86 TYR HB3 86 TYR HB2 3.95 #peak 575 86 TYR HB2 86 TYR HB3 3.76 #peak 577 89 ASP- HB3 89 ASP- HB2 3.70 #peak 588 89 ASP- HB2 89 ASP- HB3 3.64 #peak 590 90 ARG+ HB3 90 ARG+ HB2 4.10 #peak 597 90 ARG+ HB2 90 ARG+ HB3 4.38 #peak 599 92 PHE HB3 92 PHE HB2 4.29 #peak 607 92 PHE HB2 92 PHE HB3 4.01 #peak 609 97 TYR HB3 97 TYR HB2 4.23 #peak 632 97 TYR HB2 97 TYR HB3 4.42 #peak 634 100 ASN HB3 100 ASN HB2 2.40 #peak 643 100 ASN HB2 100 ASN HB3 2.40 #peak 645 22 LEU HB3 22 LEU HG 5.04 #peak 663 22 LEU HB2 22 LEU HG 5.50 #peak 666 22 LEU HA 22 LEU HG 5.38 #peak 669 23 GLU- HA 23 GLU- HG3 5.10 #peak 674 23 GLU- HA 23 GLU- HG2 5.44 #peak 675 23 GLU- HA 23 GLU- HG2 4.42 #peak 676 23 GLU- HA 23 GLU- HG3 4.88 #peak 677 25 PRO HA 25 PRO HG2 5.25 #peak 678 25 PRO HA 25 PRO HG3 4.97 #peak 679 35 PRO HB3 35 PRO QG 4.58 #peak 727 48 ARG+ HA 48 ARG+ HG2 4.72 #peak 778 53 ARG+ HA 53 ARG+ HG2 5.50 #peak 803 53 ARG+ HA 53 ARG+ QD 6.38 #peak 806 54 MET HA 54 MET HG2 4.88 #peak 819 54 MET HA 54 MET HG3 4.66 #peak 823 56 LYS+ HB2 56 LYS+ HE2 5.50 #peak 839 63 LEU HA 63 LEU HG 5.50 #peak 886 72 LYS+ HA 72 LYS+ HG2 4.26 #peak 933 72 LYS+ HA 72 LYS+ HG3 4.23 #peak 935 82 LEU HA 82 LEU HG 5.19 #peak 989 85 ILE HA 85 ILE HG12 5.50 #peak 1006 85 ILE HA 85 ILE HG13 5.50 #peak 1007 88 ARG+ HA 88 ARG+ HG2 5.38 #peak 1028 88 ARG+ HA 88 ARG+ HG3 5.31 #peak 1029 6 GLU- HN 6 GLU- QG 5.60 #peak 1528 6 GLU- QG 7 VAL HN 6.07 #peak 1529 80 LYS+ QB 97 TYR QD 8.52 #peak 1532 8 GLN HB2 8 GLN HE21 4.79 #peak 1551 8 GLN HB2 85 ILE HA 5.22 #peak 1552 8 GLN HB3 8 GLN HE21 5.44 #peak 1555 8 GLN QG 9 PHE HN 6.25 #peak 1558 9 PHE HA 9 PHE QD 7.31 #peak 1559 9 PHE QD 9 PHE HB2 7.62 #peak 1562 9 PHE QD 9 PHE HB3 7.62 #peak 1563 10 MET HG3 83 GLN HA 4.60 #peak 1568 10 MET HG3 97 TYR QE 7.63 #peak 1569 10 MET HN 10 MET HG3 4.76 #peak 1570 10 MET HG3 11 LYS+ HN 5.00 #peak 1571 10 MET QB 10 MET HG2 4.21 #peak 1576 11 LYS+ HA 12 PRO QD 5.26 #peak 1592 11 LYS+ HB2 12 PRO QD 6.38 #peak 1593 11 LYS+ HB3 12 PRO QD 6.38 #peak 1594 11 LYS+ HB3 12 PRO QD 6.38 #peak 1597 12 PRO QG 13 PHE HN 6.38 #peak 1611 11 LYS+ HA 12 PRO QD 5.20 #peak 1612 11 LYS+ HN 12 PRO QD 6.38 #peak 1613 11 LYS+ HA 12 PRO QG 6.38 #peak 1615 13 PHE HB3 82 LEU HG 5.50 #peak 1628 14 ILE HN 14 ILE HG12 5.10 #peak 1647 63 LEU HN 63 LEU HG 5.50 #peak 1648 14 ILE HN 14 ILE HG13 5.22 #peak 1649 68 GLU- HA 68 GLU- HG3 4.54 #peak 1661 16 GLU- QG 17 LYS+ HN 6.38 #peak 1677 16 GLU- HN 16 GLU- QG 5.97 #peak 1678 17 LYS+ HN 17 LYS+ HG2 4.85 #peak 1698 17 LYS+ HG2 18 SER HN 5.50 #peak 1699 17 LYS+ HN 17 LYS+ HG3 4.57 #peak 1700 17 LYS+ HG3 18 SER HN 5.50 #peak 1701 21 SER HB2 64 THR HA 4.60 #peak 1716 21 SER HB3 64 THR HA 5.22 #peak 1718 21 SER HB2 21 SER HB3 2.96 #peak 1719 21 SER HB3 62 PHE QB 6.38 #peak 1720 21 SER HB2 62 PHE QB 6.38 #peak 1721 22 LEU HB3 63 LEU HB3 5.50 #peak 1727 22 LEU HB3 63 LEU HB2 5.50 #peak 1728 22 LEU HB2 63 LEU HB3 5.50 #peak 1729 22 LEU HB2 63 LEU HB2 5.50 #peak 1730 22 LEU HB3 22 LEU HG 5.25 #peak 1735 11 LYS+ QE 22 LEU HG 6.38 #peak 1736 22 LEU HA 22 LEU HG 5.25 #peak 1737 22 LEU HG 67 TRP HH2 5.50 #peak 1738 22 LEU HG 23 GLU- HN 5.50 #peak 1739 23 GLU- HB2 23 GLU- HG3 4.97 #peak 1758 23 GLU- HA 62 PHE QD 7.62 #peak 1781 14 ILE HN 23 GLU- HB2 5.50 #peak 1785 23 GLU- HG3 24 ILE HN 5.50 #peak 1791 14 ILE HN 23 GLU- HG3 5.50 #peak 1792 24 ILE HA 25 PRO HD3 4.10 #peak 1795 24 ILE HA 24 ILE HG12 5.50 #peak 1796 24 ILE HA 24 ILE HG13 5.13 #peak 1797 24 ILE HB 24 ILE HG13 3.92 #peak 1801 24 ILE HA 25 PRO HD2 4.32 #peak 1809 24 ILE HG13 25 PRO HD3 4.23 #peak 1815 24 ILE HG12 25 PRO HD3 4.07 #peak 1816 24 ILE HA 24 ILE HG12 5.50 #peak 1817 24 ILE HA 24 ILE HG13 5.22 #peak 1818 24 ILE HG12 32 PHE QE 7.62 #peak 1827 24 ILE HN 24 ILE HG12 4.82 #peak 1828 24 ILE HN 24 ILE HG13 4.69 #peak 1829 24 ILE HA 25 PRO HD2 4.17 #peak 1836 25 PRO HD2 25 PRO HD3 3.92 #peak 1837 24 ILE HA 25 PRO HD3 4.35 #peak 1838 9 PHE QD 25 PRO HD3 7.62 #peak 1839 9 PHE QD 25 PRO HD2 7.62 #peak 1840 25 PRO HG3 25 PRO HA 4.45 #peak 1848 25 PRO HD3 25 PRO HD2 3.67 #peak 1852 25 PRO HG3 25 PRO HD2 4.85 #peak 1853 25 PRO HG2 25 PRO HD2 3.92 #peak 1854 25 PRO HG2 25 PRO HG3 2.86 #peak 1858 25 PRO HB2 25 PRO HG3 4.20 #peak 1859 25 PRO HD2 25 PRO HG3 4.79 #peak 1861 25 PRO HD2 25 PRO HG2 5.10 #peak 1862 25 PRO HD2 25 PRO HB3 5.50 #peak 1863 26 LEU HA 26 LEU HG 3.30 #peak 1864 26 LEU HG 60 LYS+ HE3 5.50 #peak 1868 26 LEU HA 26 LEU HG 4.48 #peak 1876 26 LEU HN 26 LEU HG 4.63 #peak 1881 28 PHE HA 31 TYR QD 7.64 #peak 1892 28 PHE HA 31 TYR QE 7.63 #peak 1893 28 PHE HA 28 PHE QD 7.37 #peak 1894 28 PHE QD 28 PHE HB2 7.62 #peak 1900 28 PHE QD 28 PHE HB3 7.53 #peak 1901 25 PRO HB3 28 PHE HB2 5.50 #peak 1906 29 ASN HA 32 PHE QD 6.63 #peak 1908 29 ASN QB 29 ASN HD21 6.38 #peak 1909 29 ASN QB 32 PHE QD 8.50 #peak 1910 55 LYS+ HA 55 LYS+ HD3 4.20 #peak 1917 31 TYR QD 31 TYR HB3 7.64 #peak 1924 31 TYR QD 31 TYR HB2 7.64 #peak 1926 35 PRO HB3 35 PRO HB2 2.59 #peak 1928 35 PRO QG 35 PRO HB2 4.70 #peak 1929 35 PRO QG 35 PRO HB3 4.30 #peak 1933 35 PRO HB2 35 PRO HB3 2.59 #peak 1935 35 PRO HD3 35 PRO HB3 4.32 #peak 1936 35 PRO HB2 35 PRO QG 4.89 #peak 1940 35 PRO HA 35 PRO QG 6.04 #peak 1942 35 PRO HB2 35 PRO HD3 4.66 #peak 1943 35 PRO HB3 35 PRO HD3 4.57 #peak 1944 35 PRO QG 35 PRO HD3 4.64 #peak 1945 35 PRO HA 35 PRO HD3 5.13 #peak 1947 35 PRO HA 35 PRO HD2 5.25 #peak 1948 35 PRO HB2 35 PRO HD2 4.85 #peak 1949 35 PRO QG 35 PRO HD2 4.76 #peak 1950 35 PRO HB3 35 PRO HD2 4.51 #peak 1951 35 PRO HA 35 PRO HD3 5.13 #peak 1956 37 PRO HG2 37 PRO HD3 4.23 #peak 1958 37 PRO HG3 37 PRO HD3 3.95 #peak 1959 36 PHE HB2 37 PRO HD3 5.04 #peak 1960 37 PRO HD2 37 PRO HD3 3.79 #peak 1961 36 PHE HA 37 PRO HD3 4.10 #peak 1962 36 PHE HB2 37 PRO HD2 4.82 #peak 1964 37 PRO HB2 37 PRO HD2 5.31 #peak 1966 37 PRO HG2 37 PRO HD2 4.14 #peak 1967 37 PRO HG3 37 PRO HD2 4.26 #peak 1968 25 PRO HG3 25 PRO HD3 4.79 #peak 1971 25 PRO HG2 25 PRO HD3 4.14 #peak 1972 33 PRO HD3 33 PRO HD2 4.20 #peak 1973 32 PHE QB 33 PRO HD2 6.38 #peak 1974 33 PRO HG3 33 PRO HD2 4.63 #peak 1976 33 PRO HG2 33 PRO HD2 4.76 #peak 1977 32 PHE QB 33 PRO HD3 6.38 #peak 1978 33 PRO HD3 56 LYS+ HE2 5.50 #peak 1979 33 PRO HG3 33 PRO HD3 4.79 #peak 1980 33 PRO HG2 33 PRO HD3 4.66 #peak 1981 33 PRO HD2 33 PRO HD3 4.23 #peak 1983 32 PHE HA 33 PRO HD2 4.85 #peak 1984 32 PHE HA 33 PRO HD3 4.51 #peak 1985 32 PHE HA 33 PRO HD3 4.79 #peak 1987 32 PHE QD 32 PHE QB 8.50 #peak 1994 32 PHE QB 33 PRO HD2 6.38 #peak 1996 32 PHE QB 33 PRO HD3 6.38 #peak 1997 36 PHE HA 37 PRO HD2 4.20 #peak 1999 37 PRO HD3 37 PRO HG2 4.26 #peak 2012 37 PRO HD3 37 PRO HG3 4.14 #peak 2018 37 PRO HA 37 PRO HG2 4.32 #peak 2021 37 PRO HA 37 PRO HG3 5.10 #peak 2022 37 PRO HG2 55 LYS+ HA 4.66 #peak 2024 32 PHE QE 33 PRO HD2 7.62 #peak 2030 32 PHE QD 33 PRO HD3 7.62 #peak 2031 38 ILE HB 38 ILE HG12 3.79 #peak 2034 38 ILE HB 38 ILE HG13 4.10 #peak 2035 38 ILE HA 38 ILE HG12 4.42 #peak 2041 38 ILE HA 38 ILE HG13 4.60 #peak 2042 38 ILE HG13 38 ILE HG12 2.74 #peak 2044 38 ILE HB 38 ILE HG12 3.70 #peak 2047 38 ILE HG12 38 ILE HG13 2.65 #peak 2050 38 ILE HB 38 ILE HG13 4.01 #peak 2051 38 ILE HA 38 ILE HG13 4.20 #peak 2057 38 ILE HA 38 ILE HG12 4.48 #peak 2058 38 ILE HG12 39 THR HN 5.50 #peak 2090 38 ILE HN 38 ILE HG12 4.20 #peak 2091 38 ILE HG13 39 THR HN 5.50 #peak 2092 38 ILE HN 38 ILE HG13 4.29 #peak 2093 55 LYS+ HB2 62 PHE QB 6.38 #peak 2125 41 ASP- HB2 91 THR HA 5.50 #peak 2129 62 PHE QD 62 PHE QB 8.50 #peak 2145 42 LEU HB3 42 LEU HB2 4.10 #peak 2153 42 LEU HB3 42 LEU HG 5.50 #peak 2160 42 LEU HB2 42 LEU HB3 4.10 #peak 2161 42 LEU HB2 42 LEU HG 5.50 #peak 2170 53 ARG+ HG2 54 MET HN 4.97 #peak 2190 53 ARG+ HN 53 ARG+ HG2 4.57 #peak 2191 42 LEU HN 42 LEU HG 5.10 #peak 2192 42 LEU HB2 49 SER HA 5.50 #peak 2195 42 LEU HA 42 LEU HG 5.19 #peak 2222 43 LEU HB3 43 LEU HG 3.79 #peak 2225 43 LEU HB3 93 TYR HA 5.07 #peak 2230 43 LEU HG 49 SER QB 6.38 #peak 2232 43 LEU HA 43 LEU HG 4.60 #peak 2234 43 LEU HG 44 ASP- HN 5.50 #peak 2261 43 LEU HN 43 LEU HG 4.79 #peak 2262 43 LEU HB3 93 TYR QD 7.64 #peak 2264 43 LEU HB3 94 VAL HN 5.50 #peak 2266 48 ARG+ HB3 48 ARG+ HG2 4.10 #peak 2278 48 ARG+ HG3 48 ARG+ HG2 3.14 #peak 2279 48 ARG+ HG2 49 SER HN 5.50 #peak 2283 48 ARG+ HN 48 ARG+ HG2 4.88 #peak 2284 48 ARG+ HA 48 ARG+ HG2 4.79 #peak 2285 48 ARG+ HA 48 ARG+ HG3 4.45 #peak 2286 48 ARG+ HG3 49 SER HN 5.50 #peak 2287 48 ARG+ HN 48 ARG+ HG3 5.47 #peak 2288 48 ARG+ HD2 48 ARG+ HD3 2.59 #peak 2289 48 ARG+ HA 48 ARG+ HD3 5.50 #peak 2290 31 TYR QD 88 ARG+ HD3 7.64 #peak 2292 48 ARG+ HN 48 ARG+ HD3 5.50 #peak 2295 48 ARG+ HG3 48 ARG+ HD2 4.45 #peak 2296 48 ARG+ HD2 49 SER HN 5.50 #peak 2299 48 ARG+ HA 48 ARG+ HD2 5.50 #peak 2301 48 ARG+ HA 48 ARG+ HG3 4.60 #peak 2303 48 ARG+ HB3 48 ARG+ HG2 5.50 #peak 2304 48 ARG+ HB3 48 ARG+ HG3 5.50 #peak 2305 48 ARG+ HG2 48 ARG+ HD2 4.57 #peak 2306 48 ARG+ HG3 48 ARG+ HD3 4.82 #peak 2307 48 ARG+ HG2 48 ARG+ HD3 4.48 #peak 2308 48 ARG+ HG2 48 ARG+ HG3 3.27 #peak 2309 48 ARG+ HB2 48 ARG+ HG3 4.85 #peak 2310 48 ARG+ HB2 48 ARG+ HG2 3.48 #peak 2311 48 ARG+ HB3 48 ARG+ HG3 4.17 #peak 2312 48 ARG+ HB3 48 ARG+ HD2 4.66 #peak 2313 48 ARG+ HG3 48 ARG+ HD2 3.86 #peak 2314 48 ARG+ HG2 48 ARG+ HD2 3.86 #peak 2315 48 ARG+ HB2 48 ARG+ HD2 4.54 #peak 2316 48 ARG+ HB3 48 ARG+ HD3 4.45 #peak 2319 48 ARG+ HG3 48 ARG+ HD3 3.67 #peak 2320 48 ARG+ HG2 48 ARG+ HD3 4.26 #peak 2321 48 ARG+ HB2 48 ARG+ HD3 4.88 #peak 2322 88 ARG+ QB 88 ARG+ HD3 5.85 #peak 2323 43 LEU HG 49 SER QB 6.28 #peak 2325 50 TRP HB2 50 TRP HD1 5.50 #peak 2334 50 TRP HB3 50 TRP HD1 5.50 #peak 2340 50 TRP HB3 50 TRP HE3 5.50 #peak 2341 53 ARG+ HB3 65 VAL HN 4.72 #peak 2417 53 ARG+ HB2 65 VAL HN 4.91 #peak 2421 53 ARG+ HA 53 ARG+ HG3 4.35 #peak 2422 53 ARG+ HA 53 ARG+ HG2 4.82 #peak 2424 53 ARG+ HB2 53 ARG+ QD 6.38 #peak 2425 53 ARG+ HG2 53 ARG+ QD 5.35 #peak 2426 53 ARG+ HA 53 ARG+ QD 6.28 #peak 2428 53 ARG+ QD 54 MET HN 6.38 #peak 2429 1 MET HB3 1 MET HG3 2.77 #peak 2446 54 MET HA 54 MET HG3 5.47 #peak 2449 54 MET HA 54 MET HG2 5.34 #peak 2450 54 MET HA 63 LEU HG 5.50 #peak 2454 54 MET QB 54 MET HG3 4.61 #peak 2455 11 LYS+ HB2 11 LYS+ HB3 3.27 #peak 2456 24 ILE HB 24 ILE HG13 4.38 #peak 2458 54 MET HG2 55 LYS+ HN 5.50 #peak 2472 54 MET HN 54 MET HG2 5.50 #peak 2473 54 MET HG3 55 LYS+ HN 5.00 #peak 2474 54 MET HN 54 MET HG3 5.50 #peak 2475 55 LYS+ HB3 55 LYS+ QG 5.45 3.70 63 GLU- HB3 63 GLU- HG2 2.62 60 GLU- HA 60 GLU- HG3 4.11 63 GLU- HB2 63 GLU- HG2 2.62 64 LYS+ HA 64 LYS+ QE 6.38 64 LYS+ HA 64 LYS+ HG3 3.95 64 LYS+ QB 64 LYS+ QE 7.25 64 LYS+ HA 64 LYS+ QD 5.14 64 LYS+ HA 64 LYS+ HG2 3.95 1 LYS+ HA 1 LYS+ QE 6.38 26 LEU HA 26 LEU HG 3.61 68 LYS+ HA 68 LYS+ QD 6.38 68 LYS+ HA 68 LYS+ QE 6.38 68 LYS+ HB2 68 LYS+ QE 5.91 68 LYS+ HB3 68 LYS+ QE 5.91 12 ARG+ HA 12 ARG+ HG3 4.11 12 ARG+ HA 12 ARG+ HG2 4.11 12 ARG+ HA 12 ARG+ QD 6.25 43 LYS+ HB2 43 LYS+ HE2 5.50 43 LYS+ HB3 43 LYS+ HE2 5.50 43 LYS+ HB3 43 LYS+ HE3 5.50 43 LYS+ HB2 43 LYS+ HE3 5.50 24 LYS+ HE2 43 LYS+ HG2 5.25 24 LYS+ HE2 43 LYS+ HG3 5.25 20 ARG+ HA 20 ARG+ HG2 4.01 20 ARG+ HA 20 ARG+ HG3 4.01 20 ARG+ HA 20 ARG+ QD 3.74 41 ARG+ HA 41 ARG+ QD 5.54 1 LYS+ HA 1 LYS+ QD 6.38 66 LEU HA 66 LEU HG 3.58 9 CYSS HB3 10 PRO QD 6.38 9 CYSS HB2 10 PRO QD 6.38 24 LYS+ HE3 43 LYS+ HG3 5.25 24 LYS+ HE3 43 LYS+ HG2 5.25 61 TYR QB 62 LEU HG 6.38 56 LYS+ QD 59 GLN QB 7.25 58 ILE HN 58 ILE HG13 5.25 55 LEU HB2 58 ILE HG13 7.25 68 LYS+ HN 68 LYS+ QG 6.38 66 LEU HN 66 LEU HG 4.32 62 LEU HG 63 GLU- HN 5.50 58 ILE HN 58 ILE HG12 5.25 57 TRP HE3 58 ILE HA 5.50 52 ASP- HB2 55 LEU HG 4.76 55 LEU HB3 58 ILE HG13 7.25 54 LYS+ HN 54 LYS+ QD 6.38 54 LYS+ HA 67 ASN HD22 5.50 54 LYS+ HA 67 ASN HD21 5.50 53 PRO HD3 54 LYS+ HN 5.16 55 LEU HN 55 LEU HG 3.61 53 PRO HG3 54 LYS+ HN 5.07 53 PRO HG2 54 LYS+ HN 5.07 53 PRO HA 58 ILE HB 5.07 52 ASP- HB3 55 LEU HG 4.76 16 SER HA 52 ASP- HB3 5.41 16 SER HA 52 ASP- HB2 5.41 51 ILE HN 51 ILE HG13 4.54 51 ILE HN 51 ILE HG12 4.54 38 ILE HB 51 ILE HB 4.26 41 ARG+ HG2 48 GLN HB3 6.23 41 ARG+ HG2 48 GLN HB2 6.23 47 ARG+ QG 48 GLN HA 6.22 24 LYS+ HA 43 LYS+ HG2 5.50 24 LYS+ HA 43 LYS+ HG3 5.50 42 LEU HA 43 LYS+ HG3 5.50 43 LYS+ HN 43 LYS+ HG2 4.73 43 LYS+ HN 43 LYS+ HG3 4.73 42 LEU HB2 47 ARG+ HN 5.50 42 LEU HB3 47 ARG+ HN 5.50 41 ARG+ QD 46 ASN HA 6.38 41 ARG+ QD 48 GLN HE22 6.38 41 ARG+ HN 41 ARG+ QD 6.38 35 ALA HA 36 LEU HG 4.88 29 LEU HA 36 LEU HG 5.50 41 ARG+ HG3 42 LEU HN 5.50 41 ARG+ HG2 42 LEU HN 5.50 24 LYS+ HE2 41 ARG+ HB2 7.25 24 LYS+ HE2 41 ARG+ HB3 7.25 25 HIS+ HN 41 ARG+ HB2 5.50 25 HIS+ HN 41 ARG+ HB3 5.50 27 LYS+ QG 39 VAL HB 6.07 27 LYS+ HN 39 VAL HB 5.10 38 ILE HN 38 ILE HG13 5.50 38 ILE HN 38 ILE HG12 5.50 38 ILE HB 51 ILE HN 5.04 59 GLN HG3 67 ASN HD21 5.50 59 GLN HN 59 GLN HG3 4.57 59 GLN HG2 67 ASN HD21 5.50 59 GLN HN 59 GLN HG2 4.57 36 LEU HB2 37 GLN HG3 7.25 36 LEU HB2 37 GLN HG2 7.25 34 CYSS HB3 59 GLN HG3 7.25 59 GLN HG2 67 ASN HD22 5.50 59 GLN HG3 67 ASN HD22 5.50 37 GLN HN 37 GLN HG3 5.50 37 GLN HN 37 GLN HG2 5.50 36 LEU HN 36 LEU HG 5.50 36 LEU HG 37 GLN HN 5.19 34 CYSS HB2 59 GLN HG2 7.25 34 CYSS HB2 37 GLN HE22 5.50 34 CYSS HB2 37 GLN HE21 5.50 34 CYSS HB3 37 GLN HE22 5.50 34 CYSS HB3 37 GLN HE21 5.50 31 THR HA 32 PRO HD3 3.39 10 PRO QG 37 GLN HE22 6.38 10 PRO QG 37 GLN HE21 6.38 31 THR HB 34 CYSS HB2 4.91 31 THR HB 34 CYSS HB3 4.91 9 CYSS HA 31 THR HB 5.50 31 THR HB 37 GLN HE22 5.50 31 THR HB 37 GLN HE21 5.50 29 LEU HN 29 LEU HG 4.94 27 LYS+ QG 28 ILE HN 6.38 25 HIS+ HE1 27 LYS+ HB2 5.50 25 HIS+ HE1 27 LYS+ HB3 5.50 27 LYS+ HB3 39 VAL HN 5.50 27 LYS+ HB2 39 VAL HN 5.50 26 LEU HG 27 LYS+ HN 5.50 26 LEU HB3 27 LYS+ QD 6.38 26 LEU HB2 27 LYS+ QD 6.38 24 LYS+ QD 25 HIS+ HB2 6.38 24 LYS+ QD 25 HIS+ HB3 6.38 24 LYS+ QG 25 HIS+ HB3 6.38 25 HIS+ HB3 41 ARG+ HN 5.50 25 HIS+ HB2 41 ARG+ HN 5.50 14 PHE HB3 52 ASP- HB3 7.25 14 PHE HB2 52 ASP- HB3 7.25 14 PHE HB3 52 ASP- HN 5.47 14 PHE HB2 52 ASP- HN 5.47 24 LYS+ QD 43 LYS+ HA 6.38 24 LYS+ QD 25 HIS+ HD2 5.17 24 LYS+ HN 24 LYS+ QD 6.38 24 LYS+ QG 25 HIS+ HB2 6.38 24 LYS+ QG 43 LYS+ HA 6.38 24 LYS+ HN 24 LYS+ QG 6.31 24 LYS+ HB2 43 LYS+ HA 5.41 24 LYS+ HB3 43 LYS+ HA 5.41 23 VAL HB 57 TRP HH2 4.97 20 ARG+ QD 21 ALA HA 6.38 20 ARG+ QD 57 TRP HH2 6.38 20 ARG+ HA 57 TRP HH2 4.23 19 ALA HA 57 TRP HZ2 4.91 18 VAL HB 51 ILE HG13 5.50 18 VAL HB 51 ILE HG12 5.50 15 GLU- HG2 17 HIS+ HA 5.50 15 GLU- HG3 17 HIS+ HA 5.50 15 GLU- HN 15 GLU- HG3 4.88 15 GLU- HN 15 GLU- HG2 4.88 12 ARG+ QD 13 PHE QE 8.50 23 VAL HA 43 LYS+ HG2 5.50 42 LEU HA 43 LYS+ HG2 5.50 23 VAL HA 43 LYS+ HG3 5.50 12 ARG+ HB3 13 PHE QD 7.62 12 ARG+ HB2 13 PHE QD 7.62 12 ARG+ HA 13 PHE QE 7.62 10 PRO QD 37 GLN HE22 6.38 10 PRO QD 37 GLN HE21 6.38 9 CYSS HB2 37 GLN HE22 7.25 9 CYSS HB2 37 GLN HE21 7.25 45 ASN HD22 47 ARG+ HD2 7.23 45 ASN HD21 47 ARG+ HD2 7.23 47 ARG+ HA 47 ARG+ HD3 5.50 22 ASN HA 43 LYS+ QD 6.22 43 LYS+ HN 43 LYS+ QD 6.38 63 GLU- HB3 63 GLU- HG3 2.62 63 GLU- HB2 63 GLU- HG3 2.62 63 GLU- HN 63 GLU- HG2 5.04 60 GLU- HN 60 GLU- HG3 4.42 38 ILE QG2 38 ILE QD1 4.46 36 LEU HA 36 LEU QD2 4.95 55 LEU HA 55 LEU QD2 6.19 55 LEU HA 55 LEU QD1 6.19 58 ILE HA 58 ILE QD1 4.82 62 LEU HA 62 LEU QD1 5.16 62 LEU HA 62 LEU QD2 5.16 26 LEU HA 26 LEU QD2 6.12 26 LEU HA 26 LEU QD1 6.12 42 LEU HA 42 LEU QD1 6.53 42 LEU HA 42 LEU QD2 6.53 10 PRO QG 31 THR QG2 6.63 10 PRO QD 31 THR QG2 6.78 19 ALA QB 22 ASN HB3 6.06 22 ASN HB3 23 VAL QQG 7.28 9 CYSS HA 31 THR QG2 5.85 65 ALA QB 66 LEU HA 5.23 62 LEU HA 65 ALA QB 4.82 65 ALA QB 66 LEU QQD 7.48 65 ALA HA 66 LEU QQD 7.63 59 GLN HG2 62 LEU QD1 9.23 58 ILE QG2 59 GLN HA 5.38 55 LEU HB2 58 ILE QD1 6.53 53 PRO HA 58 ILE QD1 5.78 57 TRP HH2 58 ILE QD1 5.32 62 LEU HN 62 LEU QD1 6.53 58 ILE QG2 62 LEU HG 5.72 58 ILE QG2 61 TYR QB 7.40 58 ILE QG2 59 GLN QB 7.40 55 LEU HN 58 ILE QG2 6.31 52 ASP- HB2 55 LEU QD2 7.56 55 LEU HN 55 LEU QD2 5.57 55 LEU QD2 57 TRP HE1 5.50 55 LEU HN 55 LEU QD1 5.57 42 LEU QD1 47 ARG+ HD3 9.26 55 LEU HB3 58 ILE QG2 5.97 55 LEU HB3 58 ILE QD1 6.53 55 LEU HB2 58 ILE QG2 5.97 38 ILE QD1 53 PRO HA 4.70 53 PRO HA 58 ILE QG2 4.30 52 ASP- HB3 55 LEU QD2 7.56 18 VAL HB 51 ILE QD1 5.38 51 ILE QD1 57 TRP HH2 4.30 51 ILE QD1 57 TRP HZ2 4.05 51 ILE QD1 52 ASP- HN 6.53 38 ILE HB 51 ILE QG2 6.12 51 ILE QG2 58 ILE QD1 6.72 51 ILE QG2 57 TRP HH2 6.53 51 ILE QG2 57 TRP HZ2 6.25 51 ILE QG2 52 ASP- HN 5.13 39 VAL QQG 50 CYSS HA 7.62 48 GLN HA 49 VAL QG2 6.25 40 ALA QB 48 GLN HB3 6.53 40 ALA QB 48 GLN HB2 6.53 48 GLN HA 49 VAL QG1 6.25 42 LEU HN 42 LEU QD1 6.09 52 ASP- HB2 55 LEU QD1 7.56 23 VAL QQG 41 ARG+ QD 8.50 23 VAL QQG 41 ARG+ HA 7.62 23 VAL QQG 41 ARG+ HB3 7.62 23 VAL QQG 41 ARG+ HB2 7.62 23 VAL QQG 40 ALA QB 6.79 40 ALA QB 51 ILE QD1 5.48 26 LEU HA 40 ALA QB 4.85 23 VAL HA 40 ALA QB 6.34 25 HIS+ HN 40 ALA QB 6.53 40 ALA QB 49 VAL HN 5.35 23 VAL QQG 40 ALA HA 7.62 38 ILE QD1 58 ILE QD1 6.78 38 ILE QG2 58 ILE QD1 6.53 38 ILE QG2 51 ILE HN 6.50 27 LYS+ HN 38 ILE QG2 5.81 38 ILE HB 58 ILE QD1 6.53 59 GLN HG3 62 LEU QD1 9.23 58 ILE QG2 59 GLN HG3 6.53 58 ILE QG2 59 GLN HG2 6.53 36 LEU QD1 37 GLN HB2 9.67 36 LEU QD1 37 GLN HB3 9.67 36 LEU HA 36 LEU QD1 4.95 30 ASN HA 36 LEU QD1 6.53 30 ASN HA 36 LEU QD2 6.53 36 LEU HN 36 LEU QD1 6.43 36 LEU HN 36 LEU QD2 6.43 2 PRO QG 5 LEU QQD 8.51 35 ALA QB 36 LEU HN 4.23 31 THR QG2 32 PRO HD2 4.82 31 THR QG2 32 PRO HD3 4.82 31 THR QG2 34 CYSS HB2 6.53 31 THR QG2 34 CYSS HB3 6.53 30 ASN HB3 36 LEU QD2 8.68 30 ASN HB2 36 LEU QD2 8.68 28 ILE QG2 29 LEU HN 5.04 27 LYS+ HB2 39 VAL QQG 6.94 27 LYS+ HB3 39 VAL QQG 6.94 26 LEU QD2 57 TRP HH2 5.78 26 LEU QD2 61 TYR QD 8.67 26 LEU QD2 27 LYS+ HN 6.53 26 LEU QD1 57 TRP HH2 5.78 26 LEU QD1 61 TYR QD 8.67 26 LEU QD1 27 LYS+ HN 6.53 23 VAL QQG 26 LEU HB2 7.41 23 VAL QQG 26 LEU HB3 7.41 23 VAL QQG 24 LYS+ HB2 7.62 23 VAL QQG 24 LYS+ HB3 7.62 23 VAL QQG 24 LYS+ HA 7.62 23 VAL QQG 57 TRP HH2 5.45 23 VAL QQG 57 TRP HZ2 5.30 23 VAL HB 40 ALA QB 5.07 23 VAL QQG 25 HIS+ HN 7.62 19 ALA QB 22 ASN HB2 6.06 22 ASN HB2 23 VAL QQG 7.28 21 ALA QB 22 ASN HA 6.53 21 ALA QB 23 VAL HN 5.97 21 ALA HA 23 VAL QQG 7.62 19 ALA QB 20 ARG+ HA 6.53 17 HIS+ HA 19 ALA QB 6.53 19 ALA QB 21 ALA HN 5.91 19 ALA QB 57 TRP HE1 6.53 18 VAL QQG 19 ALA HA 7.62 18 VAL HB 51 ILE QG2 5.07 18 VAL HA 19 ALA QB 5.57 15 GLU- HG2 18 VAL QQG 6.69 15 GLU- HG3 18 VAL QQG 6.69 15 GLU- HB3 18 VAL QQG 6.72 15 GLU- HB2 18 VAL QQG 6.72 42 LEU QD1 47 ARG+ HD2 9.26 47 ARG+ HD3 49 VAL QG1 9.59 47 ARG+ HD2 49 VAL QG1 9.59 42 LEU QD2 43 LYS+ HN 6.53 62 LEU QD2 63 GLU- HN 6.25 62 LEU HN 62 LEU QD2 6.53 38 ILE HA 39 VAL QQG 7.62 28 ILE HA 39 VAL QQG 7.62 39 VAL QQG 40 ALA HN 7.34 58 ILE HN 58 ILE QD1 6.53 55 LEU HN 58 ILE QD1 6.53 58 ILE QD1 61 TYR QB 7.40 61 TYR QE 65 ALA QB 7.23 3 VAL HN 3 VAL HB 3.86 11 CYSS HN 11 CYSS HB3 3.64 13 PHE HN 13 PHE HB3 3.95 14 PHE HN 14 PHE HB3 3.55 15 GLU- HN 15 GLU- HB2 3.49 15 GLU- HN 15 GLU- HB3 3.49 22 ASN HN 22 ASN HB2 3.33 22 ASN HN 22 ASN HB3 3.33 25 HIS+ HN 25 HIS+ HB3 4.07 28 ILE HN 28 ILE HB 3.21 31 THR HN 31 THR HB 3.89 34 CYSS HN 34 CYSS HB3 3.70 38 ILE HN 38 ILE HB 3.58 39 VAL HN 39 VAL HB 3.92 41 ARG+ HN 41 ARG+ HB3 3.39 42 LEU HN 42 LEU HB2 3.76 49 VAL HN 49 VAL HB 3.80 50 CYSS HN 50 CYSS HB3 3.73 60 GLU- HN 60 GLU- HB2 3.24 66 LEU HN 66 LEU HB2 4.14 66 LEU HN 66 LEU HB3 4.14 68 LYS+ HN 68 LYS+ HB2 3.92 11 CYSS HN 11 CYSS HB2 3.64 24 LYS+ HN 24 LYS+ HB2 3.67 41 ARG+ HN 41 ARG+ HB2 3.39 60 GLU- HN 60 GLU- HB3 3.24 2 PRO HA 3 VAL HN 3.02 9 CYSS HB2 11 CYSS HN 4.51 10 PRO HB2 11 CYSS HN 4.20 10 PRO HB3 11 CYSS HN 4.20 31 THR HB 34 CYSS HN 4.29 14 PHE HN 15 GLU- HN 4.69 15 GLU- HN 52 ASP- HN 4.32 14 PHE HB2 15 GLU- HN 3.73 15 GLU- HA 16 SER HN 3.42 15 GLU- HB2 16 SER HN 4.94 15 GLU- HB3 16 SER HN 4.94 17 HIS+ HN 18 VAL HN 4.73 17 HIS+ HB2 18 VAL HN 4.51 17 HIS+ HB3 18 VAL HN 4.51 18 VAL HN 19 ALA HN 4.42 18 VAL HA 19 ALA HN 2.77 18 VAL HB 19 ALA HN 4.35 20 ARG+ HN 21 ALA HN 4.04 19 ALA HN 20 ARG+ HN 4.97 19 ALA HA 21 ALA HN 4.85 20 ARG+ HB2 21 ALA HN 4.32 20 ARG+ HB3 21 ALA HN 4.32 21 ALA HN 22 ASN HN 3.55 19 ALA HN 22 ASN HN 4.11 19 ALA HA 22 ASN HN 4.57 22 ASN HN 23 VAL HB 4.48 20 ARG+ HA 23 VAL HN 3.95 22 ASN HN 23 VAL HN 2.93 21 ALA HN 23 VAL HN 4.97 24 LYS+ HN 25 HIS+ HN 3.33 24 LYS+ HN 42 LEU HA 4.07 23 VAL HA 24 LYS+ HN 2.96 27 LYS+ HN 40 ALA HA 4.51 26 LEU HA 27 LYS+ HN 3.27 30 ASN HB3 31 THR HN 4.76 30 ASN HB2 31 THR HN 4.76 31 THR HN 35 ALA HA 4.60 30 ASN HA 31 THR HN 3.14 31 THR HN 34 CYSS HN 5.07 33 ASN HN 34 CYSS HN 4.07 35 ALA HN 36 LEU HN 5.13 34 CYSS HN 35 ALA HN 4.32 34 CYSS HB2 35 ALA HN 4.85 35 ALA HA 36 LEU HN 2.87 37 GLN HN 38 ILE HN 4.97 38 ILE HN 39 VAL HN 5.07 38 ILE HN 51 ILE HN 4.94 37 GLN HB2 38 ILE HN 4.63 37 GLN HB3 38 ILE HN 4.63 37 GLN HA 38 ILE HN 3.30 27 LYS+ HN 39 VAL HN 4.07 40 ALA HN 49 VAL HN 3.70 40 ALA HN 51 ILE HN 4.91 41 ARG+ HN 42 LEU HN 4.42 24 LYS+ HN 41 ARG+ HN 4.11 40 ALA HA 41 ARG+ HN 2.99 41 ARG+ HA 42 LEU HN 2.87 24 LYS+ HN 43 LYS+ HN 4.14 42 LEU HA 43 LYS+ HN 3.21 23 VAL HA 43 LYS+ HN 3.76 23 VAL HA 42 LEU HN 5.07 42 LEU HN 47 ARG+ HN 3.92 41 ARG+ HA 47 ARG+ HN 4.85 48 GLN HA 49 VAL HN 2.74 49 VAL HA 50 CYSS HN 3.61 49 VAL HB 50 CYSS HN 3.27 51 ILE HN 52 ASP- HN 4.85 50 CYSS HB2 51 ILE HN 4.29 52 ASP- HN 52 ASP- HB3 3.39 51 ILE HB 52 ASP- HN 4.26 54 LYS+ HN 55 LEU HN 3.18 52 ASP- HB3 54 LYS+ HN 5.04 52 ASP- HB2 55 LEU HN 4.82 52 ASP- HB3 55 LEU HN 4.82 57 TRP HN 58 ILE HN 3.98 57 TRP HN 57 TRP HB2 4.14 57 TRP HN 57 TRP HB3 4.14 55 LEU HB2 57 TRP HN 5.31 55 LEU HB3 57 TRP HN 5.31 58 ILE HN 60 GLU- HN 4.73 58 ILE HN 59 GLN QB 6.25 55 LEU HB3 58 ILE HN 4.32 58 ILE HN 59 GLN HN 3.64 60 GLU- HN 62 LEU HN 4.79 59 GLN HN 60 GLU- HN 3.36 57 TRP HA 60 GLU- HN 4.26 58 ILE HA 60 GLU- HN 4.54 60 GLU- HN 61 TYR QB 5.91 61 TYR HN 62 LEU HN 4.38 58 ILE HA 61 TYR HN 4.14 60 GLU- HB2 61 TYR HN 4.85 60 GLU- HB3 61 TYR HN 4.85 58 ILE HA 62 LEU HN 4.88 59 GLN QB 62 LEU HN 5.94 62 LEU HN 63 GLU- HN 3.33 63 GLU- HN 64 LYS+ HN 3.49 64 LYS+ HN 65 ALA HN 3.49 62 LEU HB3 63 GLU- HN 3.89 63 GLU- HB3 64 LYS+ HN 4.35 64 LYS+ QB 65 ALA HN 4.89 64 LYS+ HN 66 LEU HN 4.38 64 LYS+ QB 66 LEU HN 6.10 13 PHE HN 14 PHE HN 5.13 14 PHE HA 15 GLU- HN 3.30 13 PHE HA 14 PHE HN 3.14 39 VAL HA 51 ILE HN 3.95 25 HIS+ HN 41 ARG+ HN 3.73 14 PHE HN 14 PHE HB2 3.55 13 PHE HB3 14 PHE HN 3.76 41 ARG+ HA 49 VAL HN 3.73 42 LEU HN 48 GLN HA 3.83 23 VAL HN 43 LYS+ HN 4.97 29 LEU HN 37 GLN HN 4.76 1 LYS+ HN 1 LYS+ QG 6.38 1 LYS+ HN 1 LYS+ QE 6.38 8 ARG+ HN 8 ARG+ QG 6.38 8 ARG+ HN 8 ARG+ QD 6.38 20 ARG+ HN 20 ARG+ QD 6.38 27 LYS+ HN 27 LYS+ QE 6.38 27 LYS+ HN 27 LYS+ QD 6.38 27 LYS+ HN 27 LYS+ QG 6.38 42 LEU HN 42 LEU HG 3.61 47 ARG+ HN 47 ARG+ QG 5.14 48 GLN HN 48 GLN HG3 5.25 54 LYS+ HN 54 LYS+ QG 5.57 54 LYS+ HN 54 LYS+ QE 6.38 60 GLU- HN 60 GLU- HG2 4.42 62 LEU HN 62 LEU HG 3.33 63 GLU- HN 63 GLU- HG3 5.04 64 LYS+ HN 64 LYS+ QD 6.38 68 LYS+ HN 68 LYS+ QE 6.38 68 LYS+ HN 68 LYS+ QD 6.38 48 GLN HN 48 GLN HG2 5.25 11 CYSS HN 37 GLN HE21 5.50 11 CYSS HN 37 GLN HE22 5.50 14 PHE HN 14 PHE HZ 5.50 15 GLU- HG2 16 SER HN 5.50 15 GLU- HG3 16 SER HN 5.50 18 VAL HN 57 TRP HE1 5.50 20 ARG+ HN 57 TRP HE1 5.50 20 ARG+ HN 57 TRP HZ2 5.50 22 ASN HN 43 LYS+ QD 6.38 19 ALA HN 22 ASN HD21 5.50 22 ASN HD21 42 LEU HB3 7.23 19 ALA HN 22 ASN HD22 5.50 22 ASN HD22 42 LEU HB2 7.23 22 ASN HD22 42 LEU HB3 7.23 23 VAL HN 43 LYS+ QD 6.38 24 LYS+ HN 41 ARG+ QD 6.38 25 HIS+ HN 25 HIS+ HD2 5.10 24 LYS+ QG 25 HIS+ HN 6.38 27 LYS+ HN 38 ILE HB 5.50 28 ILE HN 28 ILE HG12 5.50 28 ILE HN 28 ILE HG13 5.50 33 ASN HA 33 ASN HD21 5.50 32 PRO HB2 33 ASN HD21 5.50 32 PRO HB3 33 ASN HD21 5.50 33 ASN HA 33 ASN HD22 5.50 32 PRO HB2 33 ASN HD22 5.50 32 PRO HB3 33 ASN HD22 5.50 41 ARG+ QD 42 LEU HN 6.38 42 LEU HN 47 ARG+ QG 6.25 22 ASN HB2 43 LYS+ HN 5.50 22 ASN HB3 43 LYS+ HN 5.50 24 LYS+ QD 43 LYS+ HN 6.38 45 ASN HD22 47 ARG+ HD3 7.23 42 LEU HB2 45 ASN HD22 5.50 42 LEU HB3 45 ASN HD22 5.50 45 ASN HD22 47 ARG+ QG 6.38 42 LEU HB2 45 ASN HD21 5.50 42 LEU HB3 45 ASN HD21 5.50 45 ASN HD21 47 ARG+ QG 6.38 41 ARG+ QD 47 ARG+ HN 6.38 41 ARG+ QD 48 GLN HN 6.38 47 ARG+ QG 48 GLN HN 6.25 41 ARG+ QD 48 GLN HE21 6.38 46 ASN HB3 48 GLN HE21 7.25 46 ASN HB3 48 GLN HE22 7.25 52 ASP- HN 55 LEU HG 5.50 53 PRO HD2 54 LYS+ HN 5.16 56 LYS+ QD 57 TRP HN 6.38 19 ALA HA 57 TRP HE1 4.69 20 ARG+ HA 57 TRP HE1 5.50 18 VAL HB 57 TRP HE1 5.50 55 LEU HG 58 ILE HN 5.50 59 GLN HA 59 GLN HE22 5.50 59 GLN HA 59 GLN HE21 5.50 59 GLN QB 59 GLN HE21 6.38 59 GLN QB 59 GLN HE22 6.38 63 GLU- HG2 67 ASN HD21 7.00 63 GLU- HB2 67 ASN HD21 7.25 67 ASN HD21 68 LYS+ HB3 7.25 63 GLU- HG2 67 ASN HD22 7.00 63 GLU- HB2 67 ASN HD22 7.25 67 ASN HD22 68 LYS+ HB3 7.25 48 GLN HB2 48 GLN HE21 5.50 48 GLN HB3 48 GLN HE21 5.50 48 GLN HB2 48 GLN HE22 5.50 48 GLN HB3 48 GLN HE22 5.50 37 GLN HA 37 GLN HE21 5.50 37 GLN HA 37 GLN HE22 5.50 11 CYSS HB2 37 GLN HE21 7.25 11 CYSS HB2 37 GLN HE22 7.25 37 GLN HB2 37 GLN HE22 5.50 37 GLN HB3 37 GLN HE22 5.50 37 GLN HB2 37 GLN HE21 5.50 37 GLN HB3 37 GLN HE21 5.50 28 ILE HN 28 ILE QD1 5.72 51 ILE HN 51 ILE QD1 5.91 66 LEU HN 66 LEU QQD 7.63 38 ILE HN 38 ILE QD1 6.53 31 THR QG2 34 CYSS HN 6.53 15 GLU- HN 18 VAL QQG 7.62 18 VAL HN 19 ALA QB 6.53 18 VAL HN 51 ILE QD1 6.53 18 VAL QQG 19 ALA HN 7.03 19 ALA QB 22 ASN HN 4.73 22 ASN HN 23 VAL QQG 7.62 19 ALA QB 22 ASN HD21 6.53 22 ASN HD21 42 LEU QD1 6.53 22 ASN HD21 42 LEU QD2 6.53 19 ALA QB 22 ASN HD22 6.53 22 ASN HD22 42 LEU QD1 6.53 22 ASN HD22 42 LEU QD2 6.53 23 VAL QQG 24 LYS+ HN 6.88 27 LYS+ HN 39 VAL QQG 7.41 29 LEU HN 29 LEU QQD 7.63 38 ILE HN 39 VAL QQG 7.62 38 ILE QG2 39 VAL HN 4.98 40 ALA HN 51 ILE QD1 6.53 23 VAL QQG 41 ARG+ HN 7.28 42 LEU HN 42 LEU QD2 6.09 42 LEU QD1 43 LYS+ HN 6.53 42 LEU QD1 45 ASN HD22 9.67 42 LEU QD1 45 ASN HD21 9.67 49 VAL QG1 50 CYSS HN 6.16 49 VAL QG2 50 CYSS HN 6.16 39 VAL QQG 51 ILE HN 7.62 51 ILE QG2 55 LEU HN 6.53 55 LEU QD1 57 TRP HE1 5.50 23 VAL QQG 57 TRP HE1 7.62 51 ILE QG2 57 TRP HE1 6.53 58 ILE QG2 59 GLN HN 5.69 59 GLN HE21 62 LEU QD1 9.67 59 GLN HE22 62 LEU QD1 9.67 58 ILE QG2 60 GLU- HN 6.53 62 LEU QD1 63 GLU- HN 6.25 64 LYS+ HN 65 ALA QB 6.53 39 VAL QQG 48 GLN HE21 7.62 39 VAL QQG 48 GLN HE22 7.62 58 ILE QG2 62 LEU HN 6.53 14 PHE QE 52 ASP- HA 7.28 13 PHE HB2 14 PHE QE 7.22 13 PHE HB3 14 PHE QE 7.22 13 PHE QD 15 GLU- HB2 7.62 13 PHE QD 15 GLU- HB3 7.62 13 PHE QD 14 PHE HN 7.62 14 PHE QD 52 ASP- HN 7.62 14 PHE QD 15 GLU- HN 7.59 13 PHE HA 14 PHE QD 6.85 14 PHE QD 52 ASP- HA 6.51 61 TYR QD 62 LEU HA 6.71 58 ILE HA 61 TYR QD 6.62 7 TYR QD 8 ARG+ QG 8.45 7 TYR QE 10 PRO QD 8.51 7 TYR QE 10 PRO QG 8.51 16 SER HB2 17 HIS+ HD2 4.73 16 SER HB3 17 HIS+ HD2 4.73 17 HIS+ HA 17 HIS+ HE1 4.97 25 HIS+ HA 25 HIS+ HD2 4.38 25 HIS+ HD2 27 LYS+ QE 6.10 24 LYS+ QG 25 HIS+ HD2 6.04 25 HIS+ HE1 27 LYS+ HA 5.07 25 HIS+ HE1 27 LYS+ QE 6.04 25 HIS+ HE1 27 LYS+ QD 4.80 25 HIS+ HE1 27 LYS+ QG 5.97 19 ALA HA 57 TRP HD1 4.26 55 LEU HA 57 TRP HD1 4.91 56 LYS+ QB 57 TRP HD1 6.28 55 LEU HG 57 TRP HD1 4.97 55 LEU HB2 57 TRP HD1 4.32 55 LEU HB3 57 TRP HD1 4.32 20 ARG+ QD 57 TRP HE3 6.38 20 ARG+ QD 57 TRP HZ3 5.85 20 ARG+ HA 57 TRP HZ2 3.98 18 VAL HB 57 TRP HZ2 4.23 61 TYR QD 62 LEU HN 7.24 61 TYR QD 62 LEU HG 6.31 58 ILE QD1 61 TYR QD 8.67 25 HIS+ HD2 40 ALA QB 5.75 23 VAL QQG 25 HIS+ HD2 7.62 51 ILE QD1 57 TRP HD1 6.53 57 TRP HE3 58 ILE QG2 5.26 57 TRP HZ3 58 ILE QD1 5.69 61 TYR QD 65 ALA QB 7.83 1 LYS+ HA 2 PRO QD 3.49 1 LYS+ QB 1 LYS+ QE 7.26 1 LYS+ QG 2 PRO QD 7.26 5 LEU QB 6 SER HA 5.45 5 LEU QQD 10 PRO QB 7.83 8 ARG+ QG 9 CYSS QB 7.26 9 CYSS QB 10 PRO QG 7.26 9 CYSS QB 10 PRO QD 5.98 9 CYSS QB 11 CYSS HN 4.21 9 CYSS QB 31 THR QG2 7.41 9 CYSS QB 37 GLN QE2 6.32 9 CYSS HB3 37 GLN HE21 7.25 9 CYSS HB3 37 GLN HE22 7.25 10 PRO QB 11 CYSS HN 3.98 11 CYSS HN 11 CYSS QB 3.44 11 CYSS HA 12 ARG+ QG 6.07 11 CYSS QB 37 GLN QE2 6.32 11 CYSS HB3 37 GLN HE21 7.25 11 CYSS HB3 37 GLN HE22 7.25 11 CYSS QB 50 CYSS QB 5.98 12 ARG+ QB 13 PHE QD 7.14 13 PHE HN 13 PHE QB 3.74 13 PHE QB 14 PHE HN 3.55 13 PHE QB 14 PHE QD 6.33 13 PHE QB 14 PHE QE 6.77 14 PHE HA 15 GLU- QB 4.25 14 PHE HA 50 CYSS QB 5.26 14 PHE QB 52 ASP- HN 5.30 14 PHE QB 52 ASP- HA 5.88 14 PHE QB 52 ASP- QB 6.21 14 PHE HB2 52 ASP- HB2 7.25 14 PHE HB3 52 ASP- HB2 7.25 14 PHE QD 50 CYSS QB 8.50 14 PHE QD 52 ASP- QB 7.70 14 PHE QD 53 PRO QD 8.50 14 PHE QE 52 ASP- QB 8.10 14 PHE QE 53 PRO QD 8.50 15 GLU- HN 15 GLU- QB 3.30 15 GLU- HN 50 CYSS QB 6.38 15 GLU- HA 49 VAL QQG 8.09 15 GLU- QB 18 VAL QQG 6.48 15 GLU- QB 49 VAL QQG 8.22 15 GLU- QG 18 VAL QQG 6.42 15 GLU- QG 49 VAL QQG 8.13 16 SER QB 17 HIS+ HD2 4.39 17 HIS+ QB 17 HIS+ HD2 3.62 18 VAL HN 22 ASN QB 5.54 18 VAL HB 51 ILE QG1 4.87 19 ALA HN 22 ASN QB 4.27 19 ALA HA 20 ARG+ QB 4.32 19 ALA QB 22 ASN QB 5.65 20 ARG+ HN 20 ARG+ QG 6.38 20 ARG+ HA 20 ARG+ QG 3.71 20 ARG+ QB 21 ALA HN 3.95 20 ARG+ QB 22 ASN HN 5.76 20 ARG+ QB 57 TRP HE1 6.38 20 ARG+ QB 57 TRP HZ3 6.13 20 ARG+ QG 21 ALA HN 6.38 20 ARG+ QG 57 TRP HE3 4.74 20 ARG+ QG 57 TRP HZ3 5.17 20 ARG+ QD 57 TRP QB 7.26 22 ASN HN 22 ASN QB 3.09 22 ASN HA 43 LYS+ QB 5.70 22 ASN QB 42 LEU QB 7.25 22 ASN QB 42 LEU QQD 8.11 22 ASN QD2 42 LEU QB 5.85 22 ASN HD21 42 LEU HB2 7.23 22 ASN QD2 42 LEU QQD 6.17 23 VAL HN 24 LYS+ QB 6.13 23 VAL HA 42 LEU QQD 6.45 23 VAL QQG 26 LEU QB 7.26 24 LYS+ HN 24 LYS+ QB 3.42 24 LYS+ HN 24 LYS+ QE 6.38 24 LYS+ HA 24 LYS+ QE 6.38 24 LYS+ HA 43 LYS+ QE 6.10 24 LYS+ QB 25 HIS+ HN 3.53 24 LYS+ QB 25 HIS+ QB 7.25 24 LYS+ QB 41 ARG+ QD 7.26 24 LYS+ QB 43 LYS+ QG 4.68 24 LYS+ QB 43 LYS+ QE 5.04 24 LYS+ HB2 43 LYS+ HE3 6.20 24 LYS+ HB3 43 LYS+ HE3 6.20 24 LYS+ QE 41 ARG+ QB 6.32 24 LYS+ HE3 41 ARG+ HB2 7.25 24 LYS+ HE3 41 ARG+ HB3 7.25 24 LYS+ QE 43 LYS+ HA 5.30 24 LYS+ QE 43 LYS+ QG 4.45 25 HIS+ QB 25 HIS+ HE1 4.85 26 LEU QB 27 LYS+ HN 4.06 26 LEU QQD 40 ALA HA 7.26 27 LYS+ QB 27 LYS+ QE 5.75 27 LYS+ QB 39 VAL QQG 6.82 28 ILE HN 28 ILE QG1 5.32 28 ILE HB 28 ILE QG1 2.65 28 ILE QD1 30 ASN QD2 7.40 29 LEU HA 36 LEU QQD 6.67 30 ASN HA 36 LEU QQD 6.07 30 ASN QB 36 LEU QQD 7.02 30 ASN HB2 36 LEU QD1 8.68 30 ASN HB3 36 LEU QD1 8.68 30 ASN QD2 36 LEU QQD 8.19 31 THR HN 34 CYSS QB 5.64 31 THR HN 36 LEU QQD 8.10 31 THR HA 32 PRO QG 5.71 31 THR HA 32 PRO QD 3.09 31 THR HB 32 PRO QD 5.39 31 THR HB 34 CYSS QB 4.63 31 THR QG2 32 PRO QD 4.65 31 THR QG2 34 CYSS QB 6.41 34 CYSS HN 34 CYSS QB 3.42 34 CYSS QB 35 ALA HN 4.45 34 CYSS QB 59 GLN QG 6.32 34 CYSS HB2 59 GLN HG3 7.25 34 CYSS HB3 59 GLN HG2 7.25 35 ALA HA 36 LEU QQD 8.10 35 ALA QB 37 GLN QE2 7.21 36 LEU HN 36 LEU QB 3.57 36 LEU HN 36 LEU QQD 6.06 36 LEU QB 37 GLN HN 4.20 36 LEU QB 37 GLN QB 6.75 36 LEU QB 37 GLN QG 6.22 36 LEU HB3 37 GLN HG2 7.25 36 LEU HB3 37 GLN HG3 7.25 36 LEU QQD 37 GLN HN 7.11 36 LEU QQD 37 GLN QB 7.47 36 LEU QD2 37 GLN HB2 9.67 36 LEU QD2 37 GLN HB3 9.67 36 LEU QQD 37 GLN QG 8.98 37 GLN HN 37 GLN QG 5.26 37 GLN QB 38 ILE HN 4.30 37 GLN QG 38 ILE HN 6.38 38 ILE HN 38 ILE QG1 5.15 38 ILE QD1 53 PRO QD 7.41 39 VAL QQG 48 GLN QB 8.22 39 VAL QQG 48 GLN QG 7.51 40 ALA HN 49 VAL QQG 7.37 40 ALA HA 41 ARG+ QB 5.48 41 ARG+ HA 41 ARG+ QG 3.88 41 ARG+ QG 42 LEU HN 5.14 41 ARG+ QG 48 GLN QB 5.08 41 ARG+ HG3 48 GLN HB2 6.23 41 ARG+ HG3 48 GLN HB3 6.23 41 ARG+ QG 48 GLN QG 6.48 41 ARG+ QD 48 GLN QB 7.26 42 LEU HN 42 LEU QB 3.44 42 LEU HN 42 LEU QQD 5.57 42 LEU QB 43 LYS+ HN 3.84 42 LEU QB 47 ARG+ HN 4.80 42 LEU QQD 43 LYS+ HN 5.72 42 LEU QQD 45 ASN QD2 7.82 42 LEU QD2 45 ASN HD21 9.67 42 LEU QD2 45 ASN HD22 9.67 42 LEU QQD 47 ARG+ HN 7.79 42 LEU QQD 47 ARG+ QD 7.62 42 LEU QD2 47 ARG+ HD2 9.26 42 LEU QD2 47 ARG+ HD3 9.26 43 LYS+ HN 43 LYS+ QB 3.11 43 LYS+ HN 43 LYS+ QG 4.28 43 LYS+ HN 43 LYS+ QE 6.38 43 LYS+ HA 43 LYS+ QG 3.91 43 LYS+ HA 43 LYS+ QE 5.30 43 LYS+ QB 43 LYS+ QE 4.73 43 LYS+ QG 43 LYS+ QE 3.27 45 ASN QB 47 ARG+ HN 5.14 45 ASN QB 47 ARG+ QG 7.26 45 ASN QD2 47 ARG+ QD 5.85 45 ASN HD21 47 ARG+ HD3 7.23 46 ASN HN 47 ARG+ QD 6.38 46 ASN QB 48 GLN QE2 6.21 46 ASN HB2 48 GLN HE21 7.25 46 ASN HB2 48 GLN HE22 7.25 46 ASN QD2 47 ARG+ HA 6.37 47 ARG+ HN 47 ARG+ QB 3.46 47 ARG+ HN 47 ARG+ QD 6.38 47 ARG+ QB 47 ARG+ QD 3.73 47 ARG+ QB 48 GLN HN 3.67 47 ARG+ QD 49 VAL QQG 7.81 47 ARG+ HD2 49 VAL QG2 9.59 47 ARG+ HD3 49 VAL QG2 9.59 48 GLN HN 48 GLN QG 5.05 48 GLN HN 49 VAL QQG 8.09 48 GLN HA 49 VAL QQG 5.81 48 GLN QG 49 VAL HN 5.82 49 VAL QQG 50 CYSS HN 5.72 50 CYSS HN 50 CYSS QB 3.45 50 CYSS QB 51 ILE HN 3.99 51 ILE HN 51 ILE QG1 4.39 51 ILE QG2 55 LEU QQD 7.85 51 ILE QG1 52 ASP- HN 6.38 51 ILE QG1 57 TRP HE1 6.38 51 ILE QG1 57 TRP HZ2 5.70 52 ASP- HN 52 ASP- QB 3.21 52 ASP- HN 53 PRO QD 6.38 52 ASP- HN 55 LEU QQD 7.20 52 ASP- HA 53 PRO QG 5.39 52 ASP- HA 53 PRO QD 3.68 52 ASP- QB 54 LYS+ HN 4.79 52 ASP- QB 55 LEU HN 4.52 52 ASP- QB 55 LEU HG 4.47 52 ASP- QB 55 LEU QQD 5.96 52 ASP- HB3 55 LEU QD1 7.56 53 PRO HA 55 LEU QB 4.99 53 PRO QD 54 LYS+ HN 4.94 54 LYS+ HN 55 LEU QQD 8.10 54 LYS+ HA 67 ASN QD2 5.26 55 LEU HN 55 LEU QB 3.60 55 LEU HN 55 LEU QQD 4.87 55 LEU QB 57 TRP HN 4.81 55 LEU QB 57 TRP HD1 3.51 55 LEU QB 58 ILE HN 4.12 55 LEU QB 58 ILE QG2 5.66 55 LEU QB 58 ILE QG1 6.27 55 LEU HB2 58 ILE HG12 7.25 55 LEU HB3 58 ILE HG12 7.25 55 LEU QB 58 ILE QD1 6.06 55 LEU QB 59 GLN HN 5.33 55 LEU QQD 56 LYS+ HN 8.10 55 LEU QQD 56 LYS+ QB 8.97 55 LEU QQD 57 TRP HD1 7.42 55 LEU QQD 57 TRP HE1 4.98 55 LEU QQD 57 TRP HZ2 5.96 55 LEU QQD 58 ILE QG1 8.48 56 LYS+ HA 56 LYS+ QG 3.98 56 LYS+ HA 59 GLN QG 5.36 57 TRP HN 57 TRP QB 3.92 57 TRP HA 60 GLU- QB 3.98 57 TRP HA 60 GLU- QG 6.38 57 TRP QB 57 TRP HD1 3.30 57 TRP QB 58 ILE HN 5.67 57 TRP HZ3 58 ILE QG1 5.57 58 ILE HN 59 GLN QG 6.38 58 ILE HN 62 LEU QQD 8.10 58 ILE QD1 62 LEU QQD 9.13 59 GLN HN 62 LEU QQD 8.10 59 GLN HA 62 LEU QQD 6.14 59 GLN QB 62 LEU QQD 8.97 59 GLN QG 60 GLU- HN 6.38 59 GLN QG 62 LEU QQD 7.59 59 GLN HG2 62 LEU QD2 9.23 59 GLN HG3 62 LEU QD2 9.23 59 GLN QG 67 ASN QD2 4.91 59 GLN QE2 62 LEU QQD 8.05 59 GLN HE21 62 LEU QD2 9.67 59 GLN HE22 62 LEU QD2 9.67 60 GLU- HN 60 GLU- QB 2.90 60 GLU- HN 60 GLU- QG 4.04 60 GLU- HN 62 LEU QQD 8.10 60 GLU- QB 61 TYR HN 4.20 61 TYR QB 62 LEU QQD 8.97 61 TYR QD 62 LEU QQD 8.04 61 TYR QE 62 LEU QQD 8.28 62 LEU HN 62 LEU QB 3.41 62 LEU HN 62 LEU QQD 5.66 62 LEU HN 63 GLU- QB 5.33 62 LEU HA 62 LEU QQD 4.29 62 LEU QB 63 GLU- HN 3.60 62 LEU QB 67 ASN HN 5.79 62 LEU HG 67 ASN QD2 6.37 62 LEU QQD 65 ALA HN 8.10 63 GLU- HN 63 GLU- QG 4.72 63 GLU- HN 66 LEU QB 4.52 63 GLU- HA 66 LEU QB 4.74 63 GLU- QB 64 LYS+ HN 4.14 63 GLU- QB 67 ASN HN 4.27 63 GLU- QB 67 ASN QD2 6.29 63 GLU- HB3 67 ASN HD21 7.25 63 GLU- HB3 67 ASN HD22 7.25 63 GLU- QG 64 LYS+ HN 6.38 63 GLU- QG 65 ALA HN 5.79 63 GLU- QG 67 ASN QD2 5.43 63 GLU- HG3 67 ASN HD21 7.00 63 GLU- HG3 67 ASN HD22 7.00 64 LYS+ HN 64 LYS+ QG 5.98 64 LYS+ HA 64 LYS+ QG 3.70 64 LYS+ QG 65 ALA HN 6.38 65 ALA HN 66 LEU QB 5.36 65 ALA HA 66 LEU QB 4.95 66 LEU HN 66 LEU QB 3.64 67 ASN QD2 68 LYS+ QB 6.32 67 ASN HD21 68 LYS+ HB2 7.25 67 ASN HD22 68 LYS+ HB2 7.25 68 LYS+ HN 68 LYS+ QB 3.74 68 LYS+ QB 68 LYS+ QE 5.57 SelectMol '' RemoveMol ReadDg ./sdf1a.cor StyleBond line LineBond solid 2 SelectAtom ':1-68 & bb' Fit to_first 'selected' DefPropAtom 'displayed' 'bb' DefPropBond 'displayed' 'bb' SelectRes '' ColorBond 0.5 0.5 0.5 #SelectRes ':21-38' #StyleBond invisible DefPropRes 'helix' ':57-66' DefPropRes 'sheet1' ':23-30,35-43,48-51' #DefPropRes 'sheet2' ':48-51,102-106,108-113,118-124' #DefPropRes 'wip' ':1-20' SelectRes 'helix' ColorBond 0.8 0.0 0.8 SelectRes 'sheet1' ColorBond 0.0 0.8 0.2 SelectRes ':8-66' Fit to_first #SelectRes 'sheet2' #ColorBond 0.0 0.8 0.8 #SelectRes 'wip' #ColorBond 0.0 0.0 0.6 #Fog linear 0.1 11 17 Structural statistics: str target upper limits lower limits van der Waals torsion angles function # sum max # sum max # sum max # sum max 1 0.34 4 2.2 0.36 0 0.0 0.00 0 1.2 0.12 0 11.3 1.13 2 0.38 4 2.2 0.39 0 0.0 0.00 0 1.0 0.14 0 7.6 1.13 3 0.38 2 2.4 0.39 0 0.0 0.00 0 1.1 0.14 0 11.5 1.52 4 0.41 2 2.4 0.39 0 0.0 0.00 0 1.4 0.11 0 12.1 1.59 5 0.42 4 2.5 0.38 0 0.1 0.05 0 1.5 0.14 0 9.3 1.49 6 0.48 3 2.7 0.39 0 0.0 0.02 0 1.8 0.13 0 15.5 1.82 7 0.50 5 3.0 0.39 0 0.0 0.00 0 1.0 0.13 0 8.9 1.16 8 0.51 5 3.0 0.39 0 0.1 0.05 0 1.4 0.13 1 12.6 2.04 9 0.51 7 3.0 0.34 0 0.0 0.03 0 2.1 0.11 0 13.6 1.50 10 0.53 4 3.2 0.37 0 0.1 0.07 0 2.1 0.15 0 14.0 1.48 11 0.57 8 3.1 0.39 0 0.0 0.02 0 1.9 0.12 0 14.9 1.57 12 0.57 8 3.6 0.37 0 0.0 0.00 0 1.6 0.13 0 11.6 1.37 13 0.59 7 3.5 0.39 0 0.0 0.01 0 1.9 0.12 3 24.3 2.75 14 0.59 6 3.5 0.39 0 0.0 0.03 0 1.7 0.11 1 15.9 2.07 15 0.59 8 3.4 0.39 0 0.0 0.03 0 1.7 0.10 0 9.9 1.66 16 0.59 8 3.3 0.38 0 0.0 0.02 0 1.9 0.12 1 18.0 2.78 17 0.60 4 3.3 0.39 0 0.0 0.03 0 2.0 0.14 3 17.3 2.64 18 0.60 7 3.4 0.39 0 0.0 0.01 0 2.1 0.14 1 18.9 2.48 19 0.62 7 3.7 0.37 0 0.0 0.01 0 1.9 0.13 0 15.4 1.74 20 0.66 10 3.8 0.37 0 0.1 0.02 0 2.2 0.12 1 18.2 2.26 Ave 0.52 6 3.1 0.38 0 0.0 0.02 0 1.7 0.13 1 14.0 1.81 +/- 9.07E-02 2 0.5 0.01 0 0.0 0.02 0 0.4 0.01 1 4.0 0.52 Min 0.34 2 2.2 0.34 0 0.0 0.00 0 1.0 0.10 0 7.6 1.13 Max 0.66 10 3.8 0.39 0 0.1 0.07 0 2.2 0.15 3 24.3 2.78 Constraints violated in 1 or more structures: Cutoffs: Upper distance limits : 0.10 A Lower distance limits : 0.20 A Van der Waals : 0.20 A Angle constraints : 2.00 deg # mean max. 1 5 10 15 20 Upper HN GLN 48 - HB2 GLN 48 3.55 1 0.02 0.10 * Upper HN GLN 48 - HB3 GLN 48 3.55 1 0.01 0.11 * Upper HB3 GLN 48 - HN VAL 49 4.07 1 0.05 0.11 * Upper HN LYS+ 43 - HB3 LYS+ 43 3.45 1 0.04 0.10 * Upper HN LYS+ 43 - HB2 LYS+ 43 3.45 1 0.01 0.14 * Upper HB2 LEU 42 - HN LYS+ 43 4.04 4 0.04 0.13 + ++* Upper HB2 ARG+ 41 - HN LEU 42 4.42 2 0.05 0.18 * + Upper HB2 LYS+ 27 - HN ILE 28 3.92 1 0.02 0.14 * Upper HB3 LYS+ 27 - HN ILE 28 3.92 1 0.02 0.23 * Upper HB3 LYS+ 24 - HN HIS+ 25 3.89 3 0.02 0.15 + * + Upper HB2 LYS+ 24 - HN HIS+ 25 3.89 6 0.05 0.20 * + ++ + + Upper HN VAL 23 - HB VAL 23 2.96 5 0.05 0.17 + * + + + Upper HB VAL 23 - HN HIS+ 25 4.54 2 0.05 0.13 + * Upper HB VAL 23 - HN LYS+ 24 3.98 2 0.04 0.13 * + Upper HB3 CYSS 9 - HN CYSS 11 4.51 1 0.02 0.17 * Upper HB3 GLU- 63 - HG2 GLU- 63 2.62 12 0.23 0.39 +++ ++* + + ++++ Upper HB2 GLU- 63 - HG2 GLU- 63 2.62 8 0.10 0.18 + + *+ + + ++ Upper HN LEU 55 - HG LEU 55 3.61 1 0.01 0.12 * Upper HA ALA 35 - HG LEU 36 4.88 3 0.06 0.19 ++ * Upper HA LEU 29 - HG LEU 36 5.50 5 0.09 0.24 + + + * + Upper HN LYS+ 27 - HB VAL 39 5.10 1 0.04 0.10 * Upper HB ILE 38 - HN ILE 51 5.04 1 0.03 0.10 * Upper HB THR 31 - HB3 CYSS 34 4.91 1 0.04 0.22 * Upper HB3 GLU- 63 - HG3 GLU- 63 2.62 8 0.10 0.18 + + *+ + + ++ Upper HB2 GLU- 63 - HG3 GLU- 63 2.62 8 0.15 0.39 + + ++ + * ++ Upper QB ALA 40 - HB2 GLN 48 6.53 1 0.01 0.11 * Upper HN ARG+ 41 - HB3 ARG+ 41 3.39 1 0.02 0.18 * Upper HN ARG+ 41 - HB2 ARG+ 41 3.39 3 0.02 0.19 + + * Upper HB2 CYSS 9 - HN CYSS 11 4.51 1 0.02 0.18 * Upper HB3 PRO 10 - HN CYSS 11 4.20 5 0.08 0.30 ++ +*+ Upper HA GLU- 15 - HN SER 16 3.42 4 0.03 0.14 +* + + Upper HN THR 31 - HA ALA 35 4.60 1 0.01 0.12 * Upper HN THR 31 - HN CYSS 34 5.07 2 0.03 0.12 + * Upper HN LYS+ 24 - HN LYS+ 43 4.14 2 0.07 0.13 + * Upper HN ASP- 52 - HB3 ASP- 52 3.39 3 0.03 0.10 * + + Upper HB3 LEU 62 - HN GLU- 63 3.89 1 0.01 0.13 * Upper HA GLN 59 - HE22 GLN 59 5.50 2 0.04 0.16 + * Upper HA GLN 37 - HE22 GLN 37 5.50 3 0.05 0.14 + + * Upper HA HIS+ 25 - HD2 HIS+ 25 4.38 1 0.01 0.15 * Upper HE3 TRP 57 - QG2 ILE 58 5.26 2 0.06 0.13 + * Upper HA ALA 65 - QB LEU 66 4.95 1 0.01 0.25 * Angle PSI LEU 29 116.00 144.00 4 1.47 2.78 + + *+ Angle PHI ASN 44 284.00 304.00 2 1.05 2.07 * + Angle PSI GLN 48 125.00 149.00 1 0.73 2.10 * Angle PHI VAL 49 223.00 261.00 3 0.99 2.64 + * + Angle PHI LYS+ 56 282.00 306.00 1 0.40 2.48 * 41 violated distance constraints. 0 violated van der Waals constraints. 5 violated angle constraints. RMSDs for residues 8..66: Average backbone RMSD to mean : 0.66 +/- 0.17 A (0.39..1.01 A) Average heavy atom RMSD to mean : 1.29 +/- 0.22 A (1.09..2.01 A) Pairwise RMSD table [A]: (Mean structure is "selected atoms" fitted for residues 8..66.) 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 mean 1 0.86 0.49 0.70 1.24 0.87 0.75 1.09 0.66 0.73 0.77 0.85 0.90 0.97 0.88 0.99 1.00 1.09 0.94 0.99 0.55 2 1.67 0.73 0.73 0.79 0.80 0.66 1.20 0.86 0.95 0.89 1.08 1.02 0.74 0.68 0.81 1.09 1.27 1.09 1.04 0.59 3 1.43 1.69 0.60 1.02 0.74 0.53 1.08 0.64 0.67 0.74 0.80 0.81 0.77 0.72 0.87 1.02 0.99 0.81 0.91 0.39 4 1.72 1.55 1.50 0.98 0.57 0.50 1.22 0.74 0.93 0.59 0.86 0.86 0.79 0.80 0.85 0.99 0.98 1.11 0.71 0.45 5 2.11 1.53 2.19 2.02 0.91 0.90 1.48 1.30 1.22 1.20 1.29 1.23 0.85 0.92 0.92 1.28 1.37 1.28 1.17 0.88 6 1.81 1.53 1.65 1.24 1.72 0.71 1.30 0.92 0.97 0.66 0.99 1.08 0.83 0.79 1.03 1.00 1.09 1.26 0.89 0.60 7 1.71 1.48 1.44 1.39 2.06 1.63 1.13 0.83 0.90 0.74 0.95 0.84 0.72 0.66 0.73 1.04 1.00 1.02 0.82 0.43 8 2.39 2.53 2.32 2.44 2.64 2.43 2.29 1.12 1.10 1.20 1.32 1.25 1.26 1.19 1.32 1.46 1.47 1.24 1.29 1.01 9 1.39 1.60 1.58 1.72 2.12 1.84 1.81 2.40 0.76 0.84 0.92 0.86 0.95 0.92 1.17 1.07 1.23 0.97 1.16 0.64 10 1.56 1.73 1.51 1.79 2.17 1.85 1.76 2.20 1.64 0.93 0.83 0.86 0.95 0.87 1.03 1.09 1.17 0.76 1.26 0.64 11 1.84 1.78 1.71 1.33 2.21 1.49 1.63 2.32 1.92 1.78 0.76 0.94 0.91 0.89 1.01 1.14 0.87 1.13 0.81 0.57 12 1.77 1.98 1.68 1.54 2.32 1.86 1.88 2.66 1.74 1.79 1.67 0.75 0.99 0.92 1.07 1.16 0.80 0.93 1.15 0.67 13 1.79 1.72 1.91 1.81 2.06 2.04 1.94 2.53 1.66 1.84 1.91 1.72 0.86 0.89 0.88 1.15 1.00 0.85 1.20 0.66 14 1.81 1.56 1.86 1.79 1.63 1.84 1.72 2.58 1.80 1.80 2.10 1.98 1.79 0.53 0.78 0.95 1.24 0.89 1.08 0.57 15 1.84 1.52 1.58 1.74 1.91 1.62 1.54 2.30 1.82 1.61 1.76 1.88 1.87 1.62 0.73 0.79 1.18 0.95 1.13 0.52 16 1.64 1.45 1.76 1.77 1.66 1.89 1.58 2.54 1.88 1.77 1.95 2.00 1.70 1.38 1.57 1.07 1.14 0.96 1.06 0.67 17 1.90 1.75 1.97 1.86 1.91 1.68 2.02 2.77 1.76 2.03 2.15 2.07 2.03 1.84 1.84 1.90 1.47 1.20 1.29 0.87 18 2.00 1.98 1.75 1.65 2.26 1.78 1.79 2.54 2.05 1.89 1.71 1.57 1.93 2.04 1.91 2.04 2.34 1.23 1.20 0.90 19 1.66 2.02 1.57 2.11 2.34 2.33 2.05 2.48 1.62 1.63 2.24 1.86 1.78 1.86 1.88 1.89 2.16 2.18 1.38 0.78 20 1.72 1.78 1.79 1.76 1.88 1.79 1.82 2.29 1.98 1.88 1.93 2.06 1.96 1.67 1.92 1.79 2.11 1.98 2.11 0.82 mean 1.16 1.09 1.09 1.09 1.52 1.18 1.14 2.01 1.20 1.18 1.29 1.33 1.32 1.23 1.15 1.19 1.47 1.42 1.45 1.33 Average pairwise RMSD of each structure to the rest of the bundle: Structure 1 (bb ): 0.88 +/- 0.17 A (0.49..1.24 A) (heavy): 1.78 +/- 0.23 A (1.39..2.39 A) Structure 2 (bb ): 0.91 +/- 0.18 A (0.66..1.27 A) (heavy): 1.73 +/- 0.26 A (1.45..2.53 A) Structure 3 (bb ): 0.79 +/- 0.16 A (0.49..1.08 A) (heavy): 1.73 +/- 0.24 A (1.43..2.32 A) Structure 4 (bb ): 0.82 +/- 0.19 A (0.50..1.22 A) (heavy): 1.72 +/- 0.28 A (1.24..2.44 A) Structure 5 (bb ): 1.12 +/- 0.20 A (0.79..1.48 A) (heavy): 2.04 +/- 0.28 A (1.53..2.64 A) Structure 6 (bb ): 0.92 +/- 0.19 A (0.57..1.30 A) (heavy): 1.79 +/- 0.27 A (1.24..2.43 A) Structure 7 (bb ): 0.81 +/- 0.17 A (0.50..1.13 A) (heavy): 1.77 +/- 0.24 A (1.39..2.29 A) Structure 8 (bb ): 1.25 +/- 0.12 A (1.08..1.48 A) (heavy): 2.46 +/- 0.15 A (2.20..2.77 A) Structure 9 (bb ): 0.94 +/- 0.19 A (0.64..1.30 A) (heavy): 1.81 +/- 0.23 A (1.39..2.40 A) Structure 10 (bb ): 0.95 +/- 0.17 A (0.67..1.26 A) (heavy): 1.80 +/- 0.18 A (1.51..2.20 A) Structure 11 (bb ): 0.90 +/- 0.18 A (0.59..1.20 A) (heavy): 1.86 +/- 0.26 A (1.33..2.32 A) Structure 12 (bb ): 0.97 +/- 0.17 A (0.75..1.32 A) (heavy): 1.90 +/- 0.26 A (1.54..2.66 A) Structure 13 (bb ): 0.96 +/- 0.15 A (0.75..1.25 A) (heavy): 1.89 +/- 0.19 A (1.66..2.53 A) Structure 14 (bb ): 0.90 +/- 0.17 A (0.53..1.26 A) (heavy): 1.83 +/- 0.25 A (1.38..2.58 A) Structure 15 (bb ): 0.87 +/- 0.17 A (0.53..1.19 A) (heavy): 1.78 +/- 0.19 A (1.52..2.30 A) Structure 16 (bb ): 0.97 +/- 0.16 A (0.73..1.32 A) (heavy): 1.80 +/- 0.25 A (1.38..2.54 A) Structure 17 (bb ): 1.12 +/- 0.17 A (0.79..1.47 A) (heavy): 2.00 +/- 0.25 A (1.68..2.77 A) Structure 18 (bb ): 1.15 +/- 0.18 A (0.80..1.47 A) (heavy): 1.97 +/- 0.24 A (1.57..2.54 A) Structure 19 (bb ): 1.05 +/- 0.18 A (0.76..1.38 A) (heavy): 1.99 +/- 0.27 A (1.57..2.48 A) Structure 20 (bb ): 1.08 +/- 0.18 A (0.