#peak 574 40 ALA HA 41 ARG+ HN 2.71 #peak 575 42 LEU HN 47 ARG+ HN 3.67 #peak 579 41 ARG+ HA 42 LEU HN 2.59 #peak 580 42 LEU HA 43 LYS+ HN 2.87 #peak 587 23 VAL HA 43 LYS+ HN 3.36 #peak 588 23 VAL HA 42 LEU HN 4.57 #peak 589 44 ASN HA 45 ASN HN 4.07 #peak 605 42 LEU HN 47 ARG+ HN 3.52 #peak 629 41 ARG+ HA 47 ARG+ HN 4.38 #peak 630 45 ASN HB3 47 ARG+ HN 3.83 #peak 632 47 ARG+ HB2 48 GLN HN 3.18 #peak 639 40 ALA HN 49 VAL HN 3.33 #peak 649 48 GLN HA 49 VAL HN 2.59 #peak 651 38 ILE HN 51 ILE HN 4.54 #peak 659 49 VAL HA 50 CYSS HN 3.24 #peak 660 49 VAL HB 50 CYSS HN 3.11 #peak 661 51 ILE HN 52 ASP- HN 4.35 #peak 664 15 GLU- HN 52 ASP- HN 3.89 #peak 665 51 ILE HN 52 ASP- HN 4.48 #peak 666 50 CYSS HA 51 ILE HN 2.77 #peak 668 50 CYSS HB2 51 ILE HN 4.01 #peak 670 50 CYSS HB3 51 ILE HN 3.49 #peak 671 51 ILE HA 52 ASP- HN 2.68 #peak 674 52 ASP- HN 52 ASP- HB2 3.05 #peak 677 52 ASP- HN 52 ASP- HB3 2.93 #peak 678 51 ILE HB 52 ASP- HN 3.83 #peak 680 54 LYS+ HN 55 LEU HN 2.90 #peak 684 52 ASP- HB2 54 LYS+ HN 4.42 #peak 687 52 ASP- HB3 54 LYS+ HN 4.51 #peak 688 53 PRO HB2 54 LYS+ HN 4.07 #peak 689 54 LYS+ HN 55 LEU HN 2.87 #peak 691 52 ASP- HB2 55 LEU HN 3.92 #peak 692 52 ASP- HB3 55 LEU HN 4.32 #peak 693 55 LEU HA 56 LYS+ HN 3.58 #peak 700 56 LYS+ HN 56 LYS+ QB 4.98 #peak 701 56 LYS+ HN 56 LYS+ HA 4.17 #peak 703 57 TRP HN 58 ILE HN 3.80 #peak 704 56 LYS+ HA 57 TRP HN 4.29 #peak 707 57 TRP HN 57 TRP HB2 3.98 #peak 708 57 TRP HN 57 TRP HB3 3.52 #peak 709 56 LYS+ QB 57 TRP HN 4.92 #peak 710 55 LEU HB2 57 TRP HN 4.79 #peak 712 55 LEU HB3 57 TRP HN 3.98 #peak 713 58 ILE HN 59 GLN HN 3.27 #peak 726 57 TRP HN 58 ILE HN 3.58 #peak 727 58 ILE HN 60 GLU- HN 4.45 #peak 728 57 TRP HA 58 ILE HN 4.51 #peak 729 57 TRP HB3 58 ILE HN 4.29 #peak 731 58 ILE HN 59 GLN QB 5.73 #peak 733 55 LEU HB3 58 ILE HN 3.70 #peak 737 58 ILE HN 59 GLN HN 3.52 #peak 742 58 ILE HA 59 GLN HN 4.57 #peak 743 58 ILE HB 59 GLN HN 4.01 #peak 744 55 LEU HB3 59 GLN HN 5.13 #peak 745 60 GLU- HN 62 LEU HN 4.32 #peak 776 59 GLN HN 60 GLU- HN 3.02 #peak 778 58 ILE HN 60 GLU- HN 4.26 #peak 779 57 TRP HA 60 GLU- HN 3.83 #peak 780 59 GLN HA 60 GLU- HN 3.58 #peak 781 58 ILE HA 60 GLU- HN 4.11 #peak 782 60 GLU- HN 61 TYR QB 5.42 #peak 783 61 TYR HN 62 LEU HN 3.92 #peak 787 62 LEU HN 63 GLU- HN 2.99 #peak 789 60 GLU- HA 61 TYR HN 4.66 #peak 791 58 ILE HA 61 TYR HN 4.42 #peak 792 60 GLU- HB2 61 TYR HN 4.35 #peak 793 60 GLU- HB3 61 TYR HN 4.35 #peak 794 61 TYR HA 62 LEU HN 3.83 #peak 795 58 ILE HA 62 LEU HN 4.38 #peak 796 61 TYR QB 62 LEU HN 4.39 #peak 797 59 GLN QB 62 LEU HN 5.45 #peak 799 62 LEU HN 63 GLU- HB3 3.98 #peak 800 62 LEU HN 63 GLU- HN 3.14 #peak 801 63 GLU- HN 64 LYS+ HN 3.14 #peak 803 64 LYS+ HN 65 ALA HN 3.14 #peak 804 64 LYS+ HN 65 ALA HN 3.21 #peak 805 62 LEU HB2 63 GLU- HN 3.18 #peak 809 62 LEU HB3 63 GLU- HN 3.49 #peak 810 63 GLU- HA 64 LYS+ HN 4.07 #peak 813 63 GLU- HB3 64 LYS+ HN 3.67 #peak 815 62 LEU HA 65 ALA HN 3.86 #peak 817 64 LYS+ QB 65 ALA HN 4.49 #peak 818 64 LYS+ HA 65 ALA HN 3.30 #peak 819 65 ALA HN 66 LEU HB2 4.01 #peak 820 64 LYS+ HN 66 LEU HN 3.95 #peak 823 65 ALA HA 66 LEU HN 3.67 #peak 824 14 PHE HA 15 GLU- HN 2.96 #peak 848 13 PHE HA 14 PHE HN 2.83 #peak 849 39 VAL HA 51 ILE HN 3.55 #peak 850 23 VAL HN 43 LYS+ HN 4.48 #peak 853 25 HIS+ HN 41 ARG+ HN 3.36 #peak 854 14 PHE HN 14 PHE HB2 3.21 #peak 856 13 PHE HB3 14 PHE HN 3.21 #peak 857 13 PHE HB2 14 PHE HN 3.39 #peak 858 63 GLU- HN 63 GLU- HB2 2.80 #peak 859 33 ASN HB2 34 CYSS HN 3.49 #peak 861 41 ARG+ HA 49 VAL HN 3.36 #peak 862 42 LEU HN 48 GLN HA 3.45 #peak 863 23 VAL HN 43 LYS+ HN 4.79 #peak 864 29 LEU HN 37 GLN HN 4.51 #peak 865 2 PRO HB3 3 VAL HN 4.26 #peak 911 2 PRO HB2 3 VAL HN 4.48 #peak 912 32 PRO HA 33 ASN HN 3.42 #peak 929 9 CYSS HB3 11 CYSS HN 3.83 #peak 941 17 HIS+ HA 18 VAL HN 3.05 #peak 943 1 LYS+ HN 1 LYS+ QG 6.38 #peak 113 1 LYS+ HN 1 LYS+ QE 6.38 #peak 114 8 ARG+ HN 8 ARG+ QG 6.38 #peak 131 8 ARG+ HN 8 ARG+ QD 6.38 #peak 132 15 GLU- HN 15 GLU- HG3 4.26 #peak 144 20 ARG+ HN 20 ARG+ QD 5.85 #peak 159 24 LYS+ HN 24 LYS+ HE2 5.50 #peak 171 24 LYS+ HN 24 LYS+ QG 5.51 #peak 173 27 LYS+ HN 27 LYS+ QE 6.38 #peak 177 27 LYS+ HN 27 LYS+ QD 6.38 #peak 178 27 LYS+ HN 27 LYS+ QG 5.66 #peak 179 36 LEU HN 36 LEU HG 3.30 #peak 202 37 GLN HN 37 GLN HG3 4.38 #peak 207 41 ARG+ HN 41 ARG+ QD 6.35 #peak 219 42 LEU HN 42 LEU HG 3.08 #peak 223 47 ARG+ HN 47 ARG+ HD2 5.00 #peak 231 47 ARG+ HN 47 ARG+ QG 4.52 #peak 233 48 GLN HN 48 GLN HG3 4.48 #peak 235 51 ILE HN 51 ILE HG12 3.86 #peak 248 51 ILE HN 51 ILE HG13 3.76 #peak 249 54 LYS+ HN 54 LYS+ QG 4.86 #peak 256 54 LYS+ HN 54 LYS+ QE 6.38 #peak 257 59 GLN HN 59 GLN HG2 4.11 #peak 266 60 GLU- HN 60 GLU- HG2 3.27 #peak 269 62 LEU HN 62 LEU HG 2.83 #peak 275 63 GLU- HN 63 GLU- HG2 4.14 #peak 279 63 GLU- HN 63 GLU- HG3 4.29 #peak 280 64 LYS+ HN 64 LYS+ QD 6.38 #peak 287 64 LYS+ HN 64 LYS+ HG3 5.47 #peak 288 68 LYS+ HN 68 LYS+ QE 6.38 #peak 298 68 LYS+ HN 68 LYS+ QG 6.38 #peak 300 43 LYS+ HN 43 LYS+ HG3 3.39 #peak 310 68 LYS+ HN 68 LYS+ QD 6.38 #peak 315 15 GLU- HN 15 GLU- HG2 4.17 #peak 326 43 LYS+ HN 43 LYS+ HG2 4.17 #peak 338 48 GLN HN 48 GLN HG2 4.26 #peak 339 11 CYSS HN 37 GLN HE21 5.50 #peak 355 11 CYSS HN 37 GLN HE22 5.50 #peak 356 10 PRO QD 11 CYSS HN 6.13 #peak 358 10 PRO QG 11 CYSS HN 5.51 #peak 361 14 PHE HN 14 PHE HZ 5.50 #peak 377 14 PHE HN 14 PHE QD 7.50 #peak 378 14 PHE QD 15 GLU- HN 7.62 #peak 380 15 GLU- HN 50 CYSS HB2 5.31 #peak 381 15 GLU- HN 50 CYSS HB3 5.50 #peak 382 15 GLU- HG2 16 SER HN 5.50 #peak 387 15 GLU- HG3 16 SER HN 5.50 #peak 388 18 VAL HN 57 TRP HE1 5.50 #peak 406 20 ARG+ HN 57 TRP HE1 5.47 #peak 409 20 ARG+ HN 57 TRP HZ2 5.50 #peak 410 20 ARG+ HN 20 ARG+ HG3 4.76 #peak 413 20 ARG+ HG3 21 ALA HN 5.13 #peak 419 22 ASN HN 43 LYS+ QD 6.38 #peak 427 19 ALA HN 22 ASN HD21 4.85 #peak 432 22 ASN HD22 22 ASN HD21 2.62 #peak 433 22 ASN HB2 22 ASN HD21 4.04 #peak 434 22 ASN HB3 22 ASN HD21 4.45 #peak 435 22 ASN HD21 42 LEU HB3 5.50 #peak 436 22 ASN HD21 22 ASN HD22 2.87 #peak 440 19 ALA HN 22 ASN HD22 5.50 #peak 441 22 ASN HB2 22 ASN HD22 4.91 #peak 442 22 ASN HB3 22 ASN HD22 5.35 #peak 445 22 ASN HD22 42 LEU HB2 5.50 #peak 446 22 ASN HD22 42 LEU HB3 5.10 #peak 447 23 VAL HN 43 LYS+ QD 6.38 #peak 453 24 LYS+ HN 41 ARG+ QD 6.38 #peak 469 25 HIS+ HN 25 HIS+ HD2 5.50 #peak 475 24 LYS+ QG 25 HIS+ HN 6.38 #peak 478 27 LYS+ HN 38 ILE HB 5.50 #peak 482 28 ILE HN 28 ILE HG12 4.51 #peak 486 27 LYS+ QG 28 ILE HN 6.38 #peak 487 28 ILE HN 28 ILE HG13 5.50 #peak 488 48 GLN HE22 48 GLN HE21 2.40 #peak 492 33 ASN HD22 33 ASN HD21 2.40 #peak 516 33 ASN HA 33 ASN HD21 5.50 #peak 517 33 ASN HB3 33 ASN HD21 4.01 #peak 518 32 PRO HB2 33 ASN HD21 5.50 #peak 519 32 PRO HB3 33 ASN HD21 5.50 #peak 520 33 ASN HD21 33 ASN HD22 2.40 #peak 521 33 ASN HA 33 ASN HD22 5.50 #peak 522 33 ASN HB3 33 ASN HD22 4.54 #peak 523 32 PRO HB2 33 ASN HD22 5.50 #peak 524 32 PRO HB3 33 ASN HD22 5.50 #peak 525 37 GLN HG3 38 ILE HN 5.50 #peak 552 38 ILE HN 38 ILE HG12 4.29 #peak 555 38 ILE HN 38 ILE HG13 5.00 #peak 556 41 ARG+ QD 42 LEU HN 6.25 #peak 581 42 LEU HN 47 ARG+ QG 5.45 #peak 582 22 ASN HB2 43 LYS+ HN 5.50 #peak 590 43 LYS+ HN 43 LYS+ HE2 5.50 #peak 591 22 ASN HB3 43 LYS+ HN 5.50 #peak 592 24 LYS+ QD 43 LYS+ HN 6.38 #peak 594 44 ASN HD22 44 ASN HD21 2.49 #peak 598 44 ASN HD21 44 ASN HD22 2.46 #peak 600 44 ASN HB2 44 ASN HD21 4.97 #peak 601 44 ASN HB3 44 ASN HD21 5.07 #peak 602 44 ASN HB2 44 ASN HD22 5.13 #peak 603 44 ASN HB3 44 ASN HD22 5.16 #peak 604 45 ASN HD22 45 ASN HD21 2.40 #peak 606 45 ASN HD21 45 ASN HD22 2.40 #peak 607 45 ASN HB2 45 ASN HD21 3.83 #peak 608 45 ASN HB3 45 ASN HD21 3.49 #peak 609 45 ASN HD21 47 ARG+ HD2 5.50 #peak 610 45 ASN HD22 47 ARG+ HD3 5.22 #peak 611 45 ASN HB2 45 ASN HD22 4.60 #peak 612 45 ASN HB3 45 ASN HD22 4.20 #peak 613 42 LEU HB2 45 ASN HD22 5.50 #peak 614 42 LEU HB3 45 ASN HD22 4.91 #peak 615 45 ASN HD22 47 ARG+ QG 6.38 #peak 616 42 LEU HB2 45 ASN HD21 5.50 #peak 618 42 LEU HB3 45 ASN HD21 5.35 #peak 619 45 ASN HD21 47 ARG+ QG 6.38 #peak 620 46 ASN HD22 46 ASN HD21 2.40 #peak 622 46 ASN HD21 46 ASN HD22 2.40 #peak 623 46 ASN HB2 46 ASN HD21 3.95 #peak 624 46 ASN HB3 46 ASN HD21 4.35 #peak 625 46 ASN HB2 46 ASN HD22 4.54 #peak 626 46 ASN HB3 46 ASN HD22 5.10 #peak 627 41 ARG+ QD 47 ARG+ HN 6.04 #peak 631 42 LEU HB2 47 ARG+ HN 3.55 #peak 633 41 ARG+ QD 48 GLN HN 6.38 #peak 638 47 ARG+ QG 48 GLN HN 5.45 #peak 640 48 GLN HE22 48 GLN HE21 2.40 #peak 642 48 GLN HE21 48 GLN HE22 2.40 #peak 643 41 ARG+ QD 48 GLN HE21 5.85 #peak 644 46 ASN HB3 48 GLN HE21 4.51 #peak 645 41 ARG+ QD 48 GLN HE22 6.38 #peak 646 46 ASN HB3 48 GLN HE22 5.22 #peak 647 14 PHE QD 52 ASP- HN 7.62 #peak 667 38 ILE HB 51 ILE HN 4.29 #peak 672 52 ASP- HN 53 PRO HD3 5.50 #peak 675 14 PHE HB2 52 ASP- HN 4.48 #peak 676 52 ASP- HN 55 LEU HG 4.85 #peak 679 51 ILE HG12 52 ASP- HN 5.50 #peak 681 53 PRO HD2 54 LYS+ HN 4.38 #peak 685 53 PRO HD3 54 LYS+ HN 4.17 #peak 686 55 LEU HN 55 LEU HG 3.08 #peak 695 56 LYS+ QD 57 TRP HN 6.38 #peak 711 57 TRP HD1 57 TRP HE1 3.33 #peak 714 20 ARG+ HN 57 TRP HE1 5.47 #peak 715 57 TRP HZ2 57 TRP HE1 4.23 #peak 716 19 ALA HA 57 TRP HE1 4.54 #peak 717 57 TRP HB3 57 TRP HE1 5.50 #peak 718 20 ARG+ HA 57 TRP HE1 5.50 #peak 719 18 VAL HB 57 TRP HE1 5.50 #peak 720 51 ILE HG12 57 TRP HE1 5.50 #peak 721 20 ARG+ HB3 57 TRP HE1 5.50 #peak 725 58 ILE HN 59 GLN HG2 5.50 #peak 732 55 LEU HG 58 ILE HN 5.50 #peak 735 58 ILE HN 58 ILE HG13 4.54 #peak 741 59 GLN HE22 59 GLN HE21 2.56 #peak 748 59 GLN HE21 59 GLN HE22 2.56 #peak 753 59 GLN HA 59 GLN HE22 5.47 #peak 756 59 GLN HA 59 GLN HE21 5.50 #peak 758 59 GLN HG2 59 GLN HE21 4.20 #peak 762 59 GLN QB 59 GLN HE21 6.38 #peak 763 59 GLN HG2 59 GLN HE22 5.00 #peak 770 59 GLN QB 59 GLN HE22 6.38 #peak 771 61 TYR HN 61 TYR QD 7.64 #peak 788 61 TYR QD 62 LEU HN 7.64 #peak 790 63 GLU- HG3 64 LYS+ HN 5.50 #peak 814 64 LYS+ HG2 65 ALA HN 5.31 #peak 821 67 ASN HD21 67 ASN HD22 2.40 #peak 827 67 ASN HD22 67 ASN HD21 2.40 #peak 828 67 ASN HD21 68 LYS+ HB3 5.50 #peak 833 67 ASN HD22 68 LYS+ HB3 5.50 #peak 841 30 ASN HD21 30 ASN HD22 2.40 #peak 871 30 ASN HB3 30 ASN HD22 5.50 #peak 875 30 ASN HB2 30 ASN HD22 5.10 #peak 876 30 ASN HA 30 ASN HD21 5.50 #peak 888 30 ASN HB2 30 ASN HD21 3.89 #peak 891 30 ASN HB3 30 ASN HD21 4.23 #peak 892 48 GLN HG2 48 GLN HE21 4.35 #peak 895 48 GLN HG3 48 GLN HE21 3.95 #peak 901 48 GLN HB2 48 GLN HE21 5.13 #peak 902 48 GLN HB3 48 GLN HE21 4.97 #peak 903 48 GLN HE21 48 GLN HE22 2.40 #peak 905 48 GLN HG2 48 GLN HE22 5.50 #peak 906 48 GLN HG3 48 GLN HE22 5.04 #peak 907 48 GLN HB2 48 GLN HE22 5.50 #peak 908 48 GLN HB3 48 GLN HE22 5.50 #peak 909 37 GLN HE21 37 GLN HE22 2.40 #peak 914 37 GLN HE22 37 GLN HE21 2.40 #peak 916 37 GLN HA 37 GLN HE21 5.50 #peak 917 37 GLN HA 37 GLN HE22 5.50 #peak 918 11 CYSS HB2 37 GLN HE21 4.85 #peak 919 11 CYSS HB2 37 GLN HE22 5.07 #peak 920 37 GLN HG3 37 GLN HE22 4.57 #peak 921 37 GLN HB2 37 GLN HE22 5.50 #peak 922 37 GLN HB3 37 GLN HE22 5.22 #peak 923 37 GLN HG3 37 GLN HE21 3.98 #peak 925 37 GLN HB2 37 GLN HE21 4.97 #peak 926 37 GLN HB3 37 GLN HE21 4.82 #peak 927 30 ASN HD21 31 THR HB 5.50 #peak 930 3 VAL HN 3 VAL QQG 6.91 #peak 118 18 VAL HN 18 VAL QQG 6.20 #peak 155 21 ALA HN 21 ALA QB 3.74 #peak 163 23 VAL HN 23 VAL QQG 5.45 #peak 169 28 ILE HN 28 ILE QD1 5.04 #peak 182 31 THR HN 31 THR QG2 5.57 #peak 191 35 ALA HN 35 ALA QB 4.42 #peak 199 38 ILE HN 38 ILE QG2 5.85 #peak 212 39 VAL HN 39 VAL QQG 6.57 #peak 215 40 ALA HN 40 ALA QB 4.64 #peak 217 51 ILE HN 51 ILE QD1 5.19 #peak 250 55 LEU HN 55 LEU QD2 4.08 #peak 260 58 ILE HN 58 ILE QG2 4.95 #peak 264 62 LEU HN 62 LEU QD2 4.51 #peak 276 65 ALA HN 65 ALA QB 4.08 #peak 290 66 LEU HN 66 LEU QQD 7.63 #peak 294 42 LEU HN 42 LEU QD1 5.35 #peak 306 49 VAL HN 49 VAL QG1 4.64 #peak 311 49 VAL HN 49 VAL QG2 4.30 #peak 313 36 LEU HN 36 LEU QD1 5.35 #peak 332 38 ILE HN 38 ILE QD1 5.85 #peak 335 51 ILE HN 51 ILE QG2 4.67 #peak 341 31 THR QG2 34 CYSS HN 6.47 #peak 373 15 GLU- HN 18 VAL QQG 7.62 #peak 384 18 VAL HN 51 ILE QD1 6.53 #peak 397 18 VAL QQG 19 ALA HN 6.32 #peak 405 19 ALA QB 20 ARG+ HN 4.67 #peak 412 19 ALA QB 22 ASN HN 4.17 #peak 428 22 ASN HN 23 VAL QQG 6.85 #peak 431 19 ALA QB 22 ASN HD21 6.16 #peak 437 22 ASN HD21 42 LEU QD1 6.34 #peak 438 22 ASN HD21 42 LEU QD2 6.16 #peak 439 19 ALA QB 22 ASN HD22 6.53 #peak 448 22 ASN HD22 42 LEU QD1 5.88 #peak 449 22 ASN HD22 42 LEU QD2 6.28 #peak 450 21 ALA QB 23 VAL HN 5.23 #peak 451 23 VAL QQG 24 LYS+ HN 6.17 #peak 471 25 HIS+ HN 40 ALA QB 6.22 #peak 477 27 LYS+ HN 39 VAL QQG 7.62 #peak 483 26 LEU QD1 27 LYS+ HN 5.78 #peak 484 26 LEU QD2 27 LYS+ HN 6.53 #peak 485 29 LEU HN 29 LEU QQD 6.95 #peak 489 31 THR HN 36 LEU QD2 6.22 #peak 504 36 LEU QD2 37 GLN HN 4.85 #peak 540 38 ILE HN 39 VAL QQG 7.62 #peak 557 38 ILE QG2 39 VAL HN 5.38 #peak 558 39 VAL QQG 40 ALA HN 6.57 #peak 571 40 ALA HN 51 ILE QD1 6.19 #peak 572 40 ALA QB 41 ARG+ HN 4.39 #peak 576 23 VAL QQG 41 ARG+ HN 6.51 #peak 577 42 LEU HN 42 LEU QD2 4.88 #peak 584 42 LEU QD1 43 LYS+ HN 6.19 #peak 595 42 LEU QD2 43 LYS+ HN 4.85 #peak 596 42 LEU QD1 45 ASN HD22 5.32 #peak 617 42 LEU QD1 45 ASN HD21 5.78 #peak 621 42 LEU QD1 47 ARG+ HN 5.44 #peak 634 48 GLN HN 49 VAL QG1 6.43 #peak 641 49 VAL QG1 50 CYSS HN 5.38 #peak 662 49 VAL QG2 50 CYSS HN 5.69 #peak 663 39 VAL QQG 51 ILE HN 7.56 #peak 673 52 ASP- HN 55 LEU QD1 5.23 #peak 682 51 ILE QG2 52 ASP- HN 4.64 #peak 683 54 LYS+ HN 55 LEU QD2 6.19 #peak 690 51 ILE QG2 55 LEU HN 6.22 #peak 696 55 LEU HN 58 ILE QG2 5.54 #peak 697 55 LEU QD2 56 LYS+ HN 6.53 #peak 702 55 LEU QD1 57 TRP HE1 4.70 #peak 722 23 VAL QQG 57 TRP HE1 7.62 #peak 723 51 ILE QG2 57 TRP HE1 6.53 #peak 724 58 ILE HN 62 LEU QD1 6.53 #peak 738 58 ILE HN 58 ILE QD1 6.53 #peak 739 59 GLN HN 62 LEU QD1 6.53 #peak 746 58 ILE QG2 59 GLN HN 5.88 #peak 747 59 GLN HE21 62 LEU QD1 6.53 #peak 767 59 GLN HE22 62 LEU QD1 6.53 #peak 775 60 GLU- HN 62 LEU QD1 6.53 #peak 785 58 ILE QG2 60 GLU- HN 6.53 #peak 786 62 LEU QD1 63 GLU- HN 5.41 #peak 812 64 LYS+ HN 65 ALA QB 6.53 #peak 816 62 LEU QD2 65 ALA HN 6.28 #peak 822 65 ALA QB 66 LEU HN 5.23 #peak 826 28 ILE QD1 30 ASN HD22 6.00 #peak 878 30 ASN HD21 36 LEU QD1 5.07 #peak 893 39 VAL QQG 48 GLN HE21 7.16 #peak 904 39 VAL QQG 48 GLN HE22 7.62 #peak 910 58 ILE QG2 62 LEU HN 6.06 #peak 933 14 PHE QD 14 PHE QE 7.05 #peak 35 14 PHE HA 14 PHE QE 7.62 #peak 36 14 PHE QE 52 ASP- HA 7.28 #peak 37 13 PHE HB2 14 PHE QE 7.22 #peak 38 14 PHE HB2 14 PHE QE 6.47 #peak 39 13 PHE HB3 14 PHE QE 6.41 #peak 40 14 PHE HB3 14 PHE QE 6.97 #peak 41 14 PHE QE 52 ASP- HB3 7.22 #peak 42 13 PHE HA 13 PHE QD 5.85 #peak 44 13 PHE HB2 13 PHE QD 5.64 #peak 45 13 PHE HB3 13 PHE QD 5.48 #peak 46 13 PHE QD 15 GLU- HB2 7.62 #peak 48 13 PHE QD 15 GLU- HB3 7.62 #peak 49 12 ARG+ HB3 13 PHE QD 6.75 #peak 50 13 PHE QD 14 PHE HN 7.62 #peak 53 14 PHE QE 14 PHE QD 6.86 #peak 54 14 PHE QD 52 ASP- HN 7.62 #peak 55 14 PHE HN 14 PHE QD 7.16 #peak 56 14 PHE QD 15 GLU- HN 7.59 #peak 57 14 PHE HA 14 PHE QD 6.78 #peak 58 13 PHE HA 14 PHE QD 6.85 #peak 59 14 PHE QD 52 ASP- HA 6.51 #peak 60 14 PHE QD 53 PRO HD3 7.62 #peak 61 13 PHE HB3 14 PHE QD 5.45 #peak 63 14 PHE HB2 14 PHE QD 5.64 #peak 64 14 PHE HB3 14 PHE QD 5.70 #peak 65 14 PHE QD 52 ASP- HB3 6.82 #peak 66 7 TYR QE 7 TYR QD 6.67 #peak 70 7 TYR HA 7 TYR QD 5.69 #peak 73 7 TYR HB2 7 TYR QD 5.25 #peak 79 7 TYR HB3 7 TYR QD 5.31 #peak 80 7 TYR QD 8 ARG+ QG 8.45 #peak 84 61 TYR QB 61 TYR QE 8.51 #peak 91 7 TYR HB2 7 TYR QE 6.92 #peak 98 7 TYR HB3 7 TYR QE 6.92 #peak 99 16 SER HB2 17 HIS+ HD2 4.73 #peak 105 16 SER HB3 17 HIS+ HD2 4.20 #peak 106 17 HIS+ HB3 17 HIS+ HD2 3.42 #peak 107 17 HIS+ HA 17 HIS+ HE1 4.97 #peak 109 25 HIS+ HE1 25 HIS+ HD2 5.13 #peak 110 25 HIS+ HN 25 HIS+ HD2 5.10 #peak 111 25 HIS+ HA 25 HIS+ HD2 4.38 #peak 112 25 HIS+ HB3 25 HIS+ HD2 3.52 #peak 113 25 HIS+ HD2 27 LYS+ QE 6.10 #peak 114 24 LYS+ QD 25 HIS+ HD2 5.17 #peak 115 24 LYS+ QG 25 HIS+ HD2 6.04 #peak 117 25 HIS+ HE1 27 LYS+ HA 5.07 #peak 120 25 HIS+ HE1 27 LYS+ QE 6.04 #peak 122 25 HIS+ HE1 27 LYS+ QD 4.80 #peak 123 25 HIS+ HE1 27 LYS+ QG 5.97 #peak 124 57 TRP HE1 57 TRP HD1 2.56 #peak 126 19 ALA HA 57 TRP HD1 4.26 #peak 128 55 LEU HA 57 TRP HD1 4.91 #peak 129 57 TRP HB3 57 TRP HD1 2.80 #peak 131 56 LYS+ QB 57 TRP HD1 6.28 #peak 133 55 LEU HG 57 TRP HD1 4.97 #peak 134 55 LEU HB2 57 TRP HD1 4.32 #peak 135 55 LEU HB3 57 TRP HD1 2.74 #peak 136 57 TRP HZ2 57 TRP HE3 4.91 #peak 138 57 TRP HZ3 57 TRP HE3 2.96 #peak 139 57 TRP HB2 57 TRP HE3 4.79 #peak 140 57 TRP HB3 57 TRP HE3 5.10 #peak 141 20 ARG+ QD 57 TRP HE3 6.38 #peak 142 20 ARG+ HG3 57 TRP HE3 3.86 #peak 144 57 TRP HE3 57 TRP HZ3 2.77 #peak 147 20 ARG+ QD 57 TRP HZ3 5.85 #peak 151 20 ARG+ HG3 57 TRP HZ3 4.29 #peak 153 57 TRP HZ3 58 ILE HG12 4.69 #peak 154 20 ARG+ HB3 57 TRP HZ3 5.25 #peak 155 57 TRP HH2 57 TRP HZ2 2.40 #peak 157 57 TRP HE1 57 TRP HZ2 3.42 #peak 158 19 ALA HA 57 TRP HZ2 4.91 #peak 159 20 ARG+ HA 57 TRP HZ2 3.98 #peak 160 18 VAL HB 57 TRP HZ2 4.23 #peak 161 51 ILE HG12 57 TRP HZ2 4.82 #peak 162 57 TRP HZ2 57 TRP HH2 2.71 #peak 167 57 TRP HZ3 57 TRP HH2 4.54 #peak 168 20 ARG+ HA 57 TRP HH2 4.23 #peak 169 23 VAL HB 57 TRP HH2 4.97 #peak 170 61 TYR HN 61 TYR QD 7.02 #peak 176 61 TYR QD 62 LEU HN 7.24 #peak 177 61 TYR QE 61 TYR QD 6.67 #peak 178 61 TYR HA 61 TYR QD 5.81 #peak 180 61 TYR QD 62 LEU HA 6.71 #peak 181 58 ILE HA 61 TYR QD 6.62 #peak 182 61 TYR QB 61 TYR QD 6.69 #peak 183 61 TYR QD 62 LEU HG 6.31 #peak 184 61 TYR QE 65 ALA QB 7.23 #peak 92 61 TYR QE 62 LEU QD2 6.71 #peak 93 25 HIS+ HD2 40 ALA QB 5.75 #peak 116 23 VAL QQG 25 HIS+ HD2 7.62 #peak 118 51 ILE QD1 57 TRP HD1 6.53 #peak 137 57 TRP HZ3 58 ILE QD1 5.69 #peak 156 55 LEU QD1 57 TRP HZ2 4.39 #peak 163 23 VAL QQG 57 TRP HZ2 5.30 #peak 164 51 ILE QD1 57 TRP HZ2 4.05 #peak 165 23 VAL QQG 57 TRP HH2 5.45 #peak 173 51 ILE QD1 57 TRP HH2 4.30 #peak 174 57 TRP HH2 58 ILE QD1 5.32 #peak 175 61 TYR QD 65 ALA QB 7.83 #peak 185 61 TYR QD 62 LEU QD2 6.47 #peak 186 58 ILE QD1 61 TYR QD 8.48 #peak 188 Structural statistics: str target upper limits lower limits van der Waals torsion angles function # sum max # sum max # sum max # sum max 1 0.41 7 3.9 0.18 0 0.0 0.01 0 1.2 0.12 1 8.9 2.04 2 0.42 5 3.6 0.18 0 0.1 0.03 0 1.4 0.14 0 7.8 1.19 3 0.42 10 4.1 0.18 0 0.1 0.03 0 1.1 0.08 0 6.6 1.23 4 0.42 8 3.7 0.18 0 0.0 0.01 0 1.3 0.08 0 8.4 1.42 5 0.44 10 3.9 0.18 0 0.0 0.00 0 1.2 0.11 0 9.1 1.13 6 0.44 5 3.4 0.18 0 0.0 0.01 0 1.6 0.14 0 8.0 1.15 7 0.44 12 4.0 0.18 0 0.1 0.04 0 1.3 0.11 0 7.4 0.95 8 0.47 9 3.7 0.18 0 0.0 0.01 0 1.3 0.14 0 8.9 1.72 9 0.49 12 3.9 0.18 0 0.0 0.01 0 1.3 0.14 1 8.7 2.51 10 0.50 9 3.6 0.18 0 0.0 0.01 0 1.4 0.14 1 11.3 3.26 11 0.50 10 3.8 0.21 0 0.1 0.07 0 1.3 0.17 0 7.0 0.90 12 0.51 8 3.7 0.18 0 0.1 0.03 0 1.6 0.11 0 12.4 1.14 13 0.52 11 4.1 0.19 0 0.0 0.01 0 1.6 0.08 0 10.0 1.85 14 0.53 9 4.2 0.18 0 0.1 0.05 0 1.6 0.14 0 10.6 1.81 15 0.54 14 4.0 0.23 0 0.0 0.00 0 1.3 0.14 0 5.8 0.78 16 0.55 8 4.3 0.24 0 0.2 0.07 0 1.5 0.10 0 10.5 1.29 17 0.57 13 4.5 0.18 0 0.0 0.02 0 1.4 0.14 1 7.4 2.10 18 0.57 9 4.0 0.27 0 0.1 0.02 0 1.7 0.13 0 10.2 1.83 19 0.58 11 4.5 0.18 0 0.0 0.03 0 1.7 0.14 0 12.6 1.90 20 0.60 13 4.3 0.18 0 0.1 0.04 0 1.8 0.15 0 10.1 1.73 Ave 0.49 10 4.0 0.19 0 0.1 0.02 0 1.4 0.13 0 9.1 1.60 +/- 6.01E-02 2 0.3 0.02 0 0.0 0.02 0 0.2 0.02 0 1.8 0.59 Min 0.41 5 3.4 0.18 0 0.0 0.00 0 1.1 0.08 0 5.8 0.78 Max 0.60 14 4.5 0.27 0 0.2 0.07 0 1.8 0.17 1 12.6 3.26 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 HA PHE 13 - HB2 PHE 13 2.93 1 0.03 0.14 * Upper HN LEU 62 - HB3 LEU 62 3.24 20 0.18 0.18 +++++*++++++++++++++ Upper HN LEU 42 - HB3 LEU 42 3.42 11 0.08 0.15 + *+ +++++ ++ + Upper HN ILE 38 - HB ILE 38 3.24 1 0.02 0.13 * Upper HA LEU 26 - HB3 LYS+ 27 4.35 1 0.08 0.16 * Upper HA LEU 26 - HB2 LYS+ 27 4.35 1 0.08 0.10 * Upper HN HIS+ 25 - HB2 HIS+ 25 3.89 5 0.06 0.14 +++ * + Upper HA VAL 23 - HN HIS+ 25 3.89 10 0.09 0.17 + ++++ + + *+ + Upper HN GLU- 15 - HB2 GLU- 15 3.14 1 0.01 0.21 * Upper HN PHE 13 - HB3 PHE 13 3.58 2 0.01 0.13 + * Upper HA ARG+ 20 - HG2 ARG+ 20 3.45 1 0.01 0.15 * Upper HA LEU 66 - HG LEU 66 3.08 1 0.01 0.23 * Upper HN LEU 66 - HG LEU 66 3.73 1 0.01 0.17 * Upper HA LEU 42 - HG2 LYS+ 43 5.10 1 0.05 0.18 * Upper HA ALA 35 - HG LEU 36 4.20 1 0.04 0.13 * Upper HG LEU 36 - HN GLN 37 4.48 3 0.04 0.13 * ++ Upper HB2 HIS+ 25 - HN ARG+ 41 5.50 2 0.03 0.12 + * Upper QB ALA 40 - HB2 GLN 48 6.16 2 0.02 0.15 * + Upper QD1 LEU 36 - HN GLN 37 4.85 10 0.08 0.18 + ++ + ++ +*++ Upper HN CYSS 11 - HB3 CYSS 11 3.27 1 0.02 0.12 * Upper HN PHE 13 - HB2 PHE 13 3.58 3 0.03 0.27 + *+ Upper HN GLN 37 - HB3 GLN 37 3.76 2 0.03 0.17 + * Upper HN VAL 49 - HB VAL 49 3.39 3 0.07 0.13 + * + Upper HB3 HIS+ 17 - HN VAL 18 4.04 3 0.08 0.12 + + * Upper HB VAL 18 - HN ALA 19 3.92 1 0.04 0.10 * Upper HA ALA 19 - HN ASN 22 4.11 3 0.06 0.12 + * + Upper HN THR 31 - HN CYSS 34 4.57 2 0.04 0.15 * + Upper HA ALA 35 - HN LEU 36 2.56 1 0.03 0.15 * Upper HA VAL 23 - HN LEU 42 4.57 4 0.08 0.15 + + * + Upper HN ILE 51 - HN ASP- 52 4.35 20 0.14 0.16 +++++++++++++++*++++ Upper HA LYS+ 64 - HN ALA 65 2.99 16 0.10 0.12 + +++++ +*++ ++++ ++ Upper HB3 PHE 13 - HN PHE 14 3.39 1 0.01 0.10 * Upper HB2 PHE 13 - HN PHE 14 3.39 4 0.03 0.12 + ++ * Upper HA ARG+ 41 - HN VAL 49 3.36 2 0.04 0.19 + * Upper HB3 CYSS 9 - HN CYSS 11 3.83 1 0.01 0.24 * Upper HA HIS+ 17 - HN VAL 18 3.05 20 0.13 0.14 *+++++++++++++++++++ Upper HN GLU- 15 - HG3 GLU- 15 4.17 20 0.13 0.14 +++++++++++++++++*++ Upper QD LYS+ 24 - HN LYS+ 43 6.38 1 0.02 0.16 * Upper HA GLN 37 - HE22 GLN 37 5.50 1 0.02 0.11 * Upper QD2 LEU 36 - HN GLN 37 4.85 2 0.02 0.13 * + Upper HA HIS+ 25 - HD2 HIS+ 25 4.38 1 0.02 0.14 * Upper HA LYS+ 1 - QD PRO 2 3.31 4 0.03 0.15 + + + * Upper HN VAL 18 - QB ASN 22 5.11 1 0.05 0.14 * Upper HB3 LEU 36 - HG2 GLN 37 7.16 1 0.01 0.14 * Angle PHI HIS+ 25 198.00 264.00 1 0.73 2.10 * Angle PHI GLN 48 238.00 274.00 3 0.94 3.26 + +* 44 violated distance constraints. 0 violated van der Waals constraints. 2 violated angle constraints. RMSDs for residues 9..64: Average backbone RMSD to mean : 0.62 +/- 0.12 A (0.39..0.82 A) Average heavy atom RMSD to mean : 1.11 +/- 0.12 A (0.95..1.36 A) Pairwise RMSD table [A]: (Mean structure is "selected atoms" fitted for residues 9..64.) 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 mean 1 1.06 0.66 0.76 0.88 0.81 0.75 0.79 0.68 0.90 0.57 0.96 0.80 0.56 1.18 0.71 1.12 0.69 0.77 0.78 0.50 2 1.96 1.04 1.32 0.92 0.93 1.01 0.61 1.21 1.11 0.89 0.82 1.00 0.78 0.73 1.11 0.71 0.93 0.80 0.90 0.69 3 1.42 1.68 0.57 1.04 0.91 0.92 0.96 0.81 0.84 0.79 0.90 0.98 0.74 1.12 0.61 0.95 0.78 0.83 0.70 0.56 4 1.44 1.99 1.30 1.18 0.98 1.01 1.21 0.84 0.91 1.01 0.98 1.14 0.97 1.31 0.70 1.14 0.86 1.04 0.85 0.75 5 1.43 1.66 1.62 1.76 0.91 1.03 0.81 1.28 1.27 0.85 1.05 0.72 0.81 1.11 0.99 1.19 0.55 0.81 0.87 0.72 6 1.57 1.54 1.39 1.60 1.53 1.09 0.81 0.87 1.09 0.87 0.95 0.87 0.68 1.05 0.90 0.99 0.75 0.72 0.75 0.61 7 1.25 2.02 1.67 1.69 1.68 1.92 0.93 0.99 0.75 0.66 0.80 1.11 0.79 1.05 1.04 0.92 0.84 0.86 0.85 0.64 8 1.72 1.27 1.54 1.74 1.68 1.49 1.91 1.06 1.11 0.70 1.02 0.84 0.47 0.75 1.08 0.97 0.78 0.57 0.88 0.59 9 1.12 2.09 1.59 1.41 1.80 1.56 1.58 1.73 0.72 0.84 1.02 1.19 0.78 1.27 0.91 1.05 0.99 0.91 0.92 0.72 10 1.42 1.80 1.55 1.50 1.66 1.70 1.48 1.78 1.28 0.79 0.67 1.34 0.86 1.10 1.05 0.67 1.01 0.98 0.75 0.69 11 1.42 1.77 1.56 1.57 1.63 1.66 1.48 1.44 1.46 1.48 0.82 0.88 0.48 1.09 0.88 0.93 0.78 0.78 0.68 0.49 12 1.68 1.56 1.47 1.51 1.75 1.51 1.72 1.68 1.73 1.36 1.56 1.20 0.90 0.95 0.97 0.54 0.92 1.01 0.64 0.63 13 1.68 1.85 1.69 1.63 1.64 1.68 1.96 1.64 1.83 1.85 1.61 1.80 0.78 1.28 0.92 1.28 0.71 0.92 0.93 0.76 14 1.18 1.69 1.42 1.66 1.32 1.30 1.64 1.49 1.37 1.46 1.53 1.65 1.80 0.89 0.91 0.89 0.65 0.52 0.68 0.39 15 1.97 1.60 1.70 1.99 1.90 1.57 2.05 1.48 1.99 1.90 1.91 1.55 2.00 1.71 1.36 0.82 1.02 0.76 1.07 0.82 16 1.27 1.90 1.30 1.39 1.54 1.52 1.61 1.72 1.50 1.54 1.64 1.63 1.65 1.46 1.99 1.14 0.81 1.00 0.79 0.69 17 1.96 1.37 1.48 1.80 1.74 1.53 1.90 1.70 2.01 1.53 1.87 1.29 2.06 1.66 1.66 1.80 1.02 0.93 0.70 0.70 18 1.52 1.62 1.58 1.57 1.60 1.50 1.68 1.50 1.68 1.65 1.57 1.54 1.69 1.57 1.76 1.60 1.84 0.63 0.73 0.50 19 1.42 1.65 1.49 1.62 1.37 1.42 1.67 1.40 1.51 1.62 1.62 1.71 1.87 1.14 1.62 1.49 1.71 1.43 0.79 0.51 20 1.45 1.62 1.33 1.46 1.51 1.45 1.57 1.53 1.64 1.46 1.43 1.36 1.73 1.38 1.82 1.50 1.58 1.47 1.52 0.48 mean 1.00 1.26 0.97 1.12 1.13 1.02 1.25 1.10 1.15 1.07 1.08 1.07 1.32 0.95 1.36 1.07 1.25 1.09 1.01 0.97 Average pairwise RMSD of each structure to the rest of the bundle: Structure 1 (bb ): 0.81 +/- 0.17 A (0.56..1.18 A) (heavy): 1.52 +/- 0.25 A (1.12..1.97 A) Structure 2 (bb ): 0.94 +/- 0.18 A (0.61..1.32 A) (heavy): 1.72 +/- 0.22 A (1.27..2.09 A) Structure 3 (bb ): 0.85 +/- 0.15 A (0.57..1.12 A) (heavy): 1.51 +/- 0.13 A (1.30..1.70 A) Structure 4 (bb ): 0.99 +/- 0.20 A (0.57..1.32 A) (heavy): 1.61 +/- 0.19 A (1.30..1.99 A) Structure 5 (bb ): 0.96 +/- 0.19 A (0.55..1.28 A) (heavy): 1.62 +/- 0.15 A (1.32..1.90 A) Structure 6 (bb ): 0.89 +/- 0.12 A (0.68..1.09 A) (heavy): 1.55 +/- 0.13 A (1.30..1.92 A) Structure 7 (bb ): 0.92 +/- 0.13 A (0.66..1.11 A) (heavy): 1.71 +/- 0.21 A (1.25..2.05 A) Structure 8 (bb ): 0.86 +/- 0.19 A (0.47..1.21 A) (heavy): 1.60 +/- 0.16 A (1.27..1.91 A) Structure 9 (bb ): 0.97 +/- 0.18 A (0.68..1.28 A) (heavy): 1.62 +/- 0.25 A (1.12..2.09 A) Structure 10 (bb ): 0.94 +/- 0.20 A (0.67..1.34 A) (heavy): 1.58 +/- 0.17 A (1.28..1.90 A) Structure 11 (bb ): 0.80 +/- 0.14 A (0.48..1.09 A) (heavy): 1.59 +/- 0.14 A (1.42..1.91 A) Structure 12 (bb ): 0.90 +/- 0.16 A (0.54..1.20 A) (heavy): 1.58 +/- 0.14 A (1.29..1.80 A) Structure 13 (bb ): 0.99 +/- 0.20 A (0.71..1.34 A) (heavy): 1.77 +/- 0.14 A (1.61..2.06 A) Structure 14 (bb ): 0.74 +/- 0.15 A (0.47..0.97 A) (heavy): 1.50 +/- 0.19 A (1.14..1.80 A) Structure 15 (bb ): 1.05 +/- 0.19 A (0.73..1.36 A) (heavy): 1.80 +/- 0.18 A (1.48..2.05 A) Structure 16 (bb ): 0.94 +/- 0.18 A (0.61..1.36 A) (heavy): 1.58 +/- 0.18 A (1.27..1.99 A) Structure 17 (bb ): 0.95 +/- 0.19 A (0.54..1.28 A) (heavy): 1.71 +/- 0.21 A (1.29..2.06 A) Structure 18 (bb ): 0.81 +/- 0.14 A (0.55..1.02 A) (heavy): 1.60 +/- 0.10 A (1.43..1.84 A) Structure 19 (bb ): 0.82 +/- 0.14 A (0.52..1.04 A) (heavy): 1.54 +/- 0.16 A (1.14..1.87 A) Structure 20 (bb ): 0.80 +/- 0.11 A (0.64..1.07 A) (heavy): 1.52 +/- 0.12 A (1.33..1.82 A) Mean structure (bb ): 0.62 +/- 0.12 A (0.39..0.82 A) (heavy): 1.11 +/- 0.12 A (0.95..1.36 A) Average global and local displacements [A]: backbone heavy atoms backbone heavy atoms 1 LYS+ : 9.05 9.72 0.00 0.00 2 PRO : 7.83 7.97 0.75 1.43 3 VAL : 6.77 7.03 0.65 1.61 4 SER : 5.81 6.07 0.72 1.67 5 LEU : 5.23 5.83 0.74 2.13 6 SER : 4.82 5.32 0.83 1.78 7 TYR : 3.48 5.65 0.81 3.52 8 ARG+ : 1.97 3.50 0.74 3.64 9 CYSS : 1.13 1.18 0.37 QG 6.57 76 LEU QQD 81 TYR HN 8.10 76 LEU QQD 82 LEU HG 6.58 76 LEU QQD 82 LEU QQD 6.23 76 LEU QQD 96 ILE HB 7.73 76 LEU QQD 96 ILE QG2 7.17 76 LEU QQD 96 ILE QG1 8.97 76 LEU QQD 96 ILE QD1 6.01 77 GLU- QB 80 LYS+ QG 7.26 81 TYR HN 97 TYR QB 6.38 82 LEU HN 82 LEU QQD 5.95 82 LEU QQD 83 GLN HN 6.83 82 LEU QQD 96 ILE HA 6.86 82 LEU QQD 96 ILE QG1 8.97 82 LEU QQD 96 ILE QD1 6.86 83 GLN HN 83 GLN QE2 6.37 83 GLN QB 95 ILE HN 6.38 83 GLN QB 95 ILE HB 4.93 83 GLN QB 95 ILE QG2 7.41 83 GLN QB 97 TYR QD 7.22 83 GLN QB 97 TYR QE 5.59 83 GLN QG 95 ILE HB 6.38 83 GLN QG 95 ILE QD1 7.41 83 GLN QG 97 TYR QE 6.53 83 GLN QE2 95 ILE QD1 6.99 84 PHE QB 92 PHE QD 7.07 84 PHE QD 93 TYR QB 7.54 84 PHE QD 94 VAL QQG 8.38 85 ILE HN 85 ILE QG1 4.68 85 ILE HN 93 TYR QB 4.95 85 ILE QG2 93 TYR QB 5.50 85 ILE QD1 93 TYR QB 6.17 86 TYR QB 87 ASP- HN 4.32 88 ARG+ HA 88 ARG+ QD 4.02 88 ARG+ QG 89 ASP- HN 6.38 88 ARG+ QD 89 ASP- HN 6.29 89 ASP- QB 90 ARG+ HN 3.72 92 PHE QB 93 TYR HN 4.07 92 PHE QB 94 VAL HN 4.95 93 TYR HA 94 VAL QQG 7.68 94 VAL QQG 95 ILE HN 6.48 95 ILE HN 95 ILE QG1 5.17