U 6.998e+03 0.00e+00 m 0 817 825 816 0 2656 1.677 3.192 31.837 1 U 7.317e+03 0.00e+00 m 0 818 825 816 0 2657 1.725 4.205 31.747 1 U 1.348e+04 0.00e+00 m 0 817 815 816 0 2658 1.677 4.209 31.837 1 U 1.383e+04 0.00e+00 m 0 818 815 816 0 2660 3.110 3.110 43.819 1 U 1.928e+06 0.00e+00 m 0 826 826 824 0 2661 3.110 3.192 43.819 1 U 1.335e+06 0.00e+00 m 0 826 825 824 0 2662 3.192 3.107 43.819 1 U 3.286e+05 0.00e+00 m 0 825 826 824 0 2663 3.110 1.725 43.819 1 U 3.000e+04 0.00e+00 m 0 826 817 824 0 2664 3.110 1.540 43.819 1 U 5.999e+04 0.00e+00 m 0 826 823 824 0 2665 3.110 0.992 43.819 3 U 5.318e+03 0.00e+00 m 0 826 732 824 0 2666 3.110 0.874 43.819 3 U 5.166e+03 0.00e+00 m 0 826 864 824 0 2667 3.192 0.874 43.819 3 U 4.056e+03 0.00e+00 m 0 825 864 824 0 2668 3.110 4.195 43.819 3 U 7.280e+02 0.00e+00 m 0 826 815 824 0 2669 3.110 4.801 43.819 4 U 2.534e+03 0.00e+00 m 0 0 0 0 0 2670 3.110 6.530 43.819 3 U 2.178e+03 0.00e+00 m 0 826 795 824 0 2671 4.257 4.805 56.104 4 U 6.122e+03 0.00e+00 m 0 0 0 0 0 2672 4.257 8.145 56.104 3 U 6.821e+03 0.00e+00 m 0 129 127 128 0 2673 2.880 4.522 38.956 1 U 2.018e+04 0.00e+00 m 0 0 0 0 0 2674 3.022 6.794 38.956 3 U 2.787e+03 0.00e+00 m 0 108 112 107 0 2675 3.022 7.076 38.956 3 U 1.911e+04 0.00e+00 m 0 108 111 107 0 2676 2.880 7.076 38.956 3 U 1.754e+04 0.00e+00 m 0 109 111 107 0 2677 2.880 6.800 38.956 3 U 2.582e+03 0.00e+00 m 0 109 112 107 0 2678 4.356 8.041 58.433 3 U 2.558e+03 0.00e+00 m 0 96 104 95 0 2679 4.330 8.187 55.388 3 U 1.869e+03 0.00e+00 m 0 74 0 73 0 2680 4.330 7.586 55.388 4 U 1.650e+03 0.00e+00 m 0 0 0 0 0 2681 4.417 8.332 58.148 3 U 3.293e+03 0.00e+00 m 0 64 62 63 0 2682 4.067 8.323 62.495 3 U 5.190e+03 0.00e+00 m 0 46 62 45 0 2683 1.683 1.205 29.883 4 U 2.818e+04 0.00e+00 m 0 0 0 0 0 2684 1.683 2.840 29.883 3 U 1.520e+04 0.00e+00 m 0 759 762 756 0 2685 1.683 4.945 29.883 3 U 8.635e+03 0.00e+00 m 0 759 373 756 0 2686 1.683 8.482 29.883 3 U 3.418e+03 0.00e+00 m 0 759 745 756 0 2687 2.173 7.903 29.896 3 U 8.941e+03 0.00e+00 m 0 1074 1084 1073 0 2688 2.173 8.049 29.896 3 U 1.367e+04 0.00e+00 m 0 1074 1070 1073 0 2689 2.060 7.909 29.896 3 U 2.722e+04 0.00e+00 m 0 1134 1129 1132 0 2690 2.060 8.060 29.896 3 U 1.745e+04 0.00e+00 m 0 1075 1070 1073 0 2691 2.055 2.055 29.708 1 U 2.142e+05 0.00e+00 m 0 1134 1134 1132 0 2692 2.121 2.121 29.708 1 U 1.507e+05 0.00e+00 m 0 1133 1133 1132 0 2693 2.121 2.055 29.708 1 U 1.307e+05 0.00e+00 m 0 1133 0 1132 0 2694 2.055 2.121 29.708 1 U 2.345e+05 0.00e+00 m 0 1134 0 1132 0 2695 2.055 2.239 29.708 1 U 7.672e+04 0.00e+00 m 0 0 0 0 0 2696 2.121 2.239 29.708 1 U 3.554e+04 0.00e+00 m 0 0 0 0 0 2697 2.121 2.395 29.708 1 U 1.416e+04 0.00e+00 m 0 0 0 0 0 2698 2.055 2.397 29.708 1 U 2.349e+04 0.00e+00 m 0 0 0 0 0 2699 2.121 3.994 29.708 1 U 9.441e+03 0.00e+00 m 0 1133 1131 1132 0 2700 2.055 3.994 29.708 1 U 1.359e+04 0.00e+00 m 0 1134 1131 1132 0 2701 2.121 7.598 29.708 3 U 3.004e+03 0.00e+00 m 0 1133 1143 1132 0 2702 2.055 7.593 29.708 3 U 3.897e+03 0.00e+00 m 0 1134 1143 1132 0 2703 2.055 7.918 29.708 3 U 1.340e+04 0.00e+00 m 0 0 0 0 0 2704 2.121 7.913 29.708 3 U 8.953e+03 0.00e+00 m 0 1133 1129 1132 0 2705 2.187 7.538 35.396 4 U 2.659e+03 0.00e+00 m 0 0 0 0 0 2706 2.187 8.661 35.396 3 U 3.749e+03 0.00e+00 m 0 849 841 848 0 2707 2.187 9.026 35.396 4 U 6.009e+03 0.00e+00 m 0 0 0 0 0 2708 2.095 7.538 35.396 4 U 2.562e+03 0.00e+00 m 0 0 0 0 0 2709 2.095 8.667 35.396 3 U 3.658e+03 0.00e+00 m 0 850 841 848 0 2710 2.095 9.033 35.396 3 U 5.873e+03 0.00e+00 m 0 850 859 848 0 2711 2.394 4.591 36.691 4 U 2.550e+03 0.00e+00 m 0 0 0 0 0 2712 2.394 7.622 36.691 4 U 2.582e+03 0.00e+00 m 0 0 0 0 0 2713 2.394 7.893 36.691 3 U 8.248e+03 0.00e+00 m 0 1137 1129 1136 0 2714 2.394 8.056 36.691 3 U 1.200e+04 0.00e+00 m 0 1078 1070 1077 0 2715 2.217 4.609 36.691 3 U 2.320e+03 0.00e+00 m 0 1079 1009 1077 0 2716 2.217 8.054 36.691 3 U 9.271e+03 0.00e+00 m 0 0 0 0 0 2717 4.079 7.903 59.152 3 U 5.977e+03 0.00e+00 m 0 1072 1084 1071 0 2718 4.079 8.050 59.152 3 U 1.051e+04 0.00e+00 m 0 1072 1070 1071 0 2719 1.725 8.008 31.747 4 U 1.274e+04 0.00e+00 m 0 0 0 0 0 2720 1.677 8.016 31.837 4 U 1.468e+04 0.00e+00 m 0 0 0 0 0 2721 1.677 8.658 31.837 3 U 4.957e+03 0.00e+00 m 0 818 841 816 0 2722 1.725 8.665 31.747 3 U 4.772e+03 0.00e+00 m 0 817 841 816 0 2723 0.757 8.488 22.981 3 U 1.109e+04 0.00e+00 m 0 733 745 738 0 2724 0.757 9.009 22.981 3 U 9.100e+03 0.00e+00 m 0 733 723 738 0 2725 0.757 9.292 22.981 4 U 5.061e+03 0.00e+00 m 0 0 0 0 0 2726 0.794 6.762 23.237 3 U 6.516e+03 0.00e+00 m 0 1117 1092 1122 0 2727 0.794 7.060 23.237 3 U 1.158e+04 0.00e+00 m 0 1117 1091 1122 0 2728 0.794 7.893 23.237 3 U 4.749e+03 0.00e+00 m 0 1117 1129 1122 0 2729 0.794 8.458 23.237 3 U 7.453e+03 0.00e+00 m 0 1117 1107 1122 0 2730 3.792 3.792 63.870 1 U 2.254e+06 0.00e+00 m 0 68 68 65 0 2731 2.674 7.275 40.194 1 U 1.395e+03 0.00e+00 m 0 0 0 0 0 2732 4.428 8.292 63.167 1 U 1.663e+04 0.00e+00 m 0 30 44 29 0 2733 0.845 4.740 62.223 1 U -5.977e+03 0.00e+00 m 0 682 648 674 0 2734 0.845 4.608 62.223 1 U -4.414e+03 0.00e+00 m 0 682 489 674 0 2735 0.845 5.638 62.223 1 U -3.516e+03 0.00e+00 m 0 682 879 674 0 2736 0.845 8.836 62.223 1 U -2.012e+04 0.00e+00 m 0 682 667 674 0 2737 0.845 9.038 62.223 1 U -8.941e+03 0.00e+00 m 0 682 461 674 0 2738 0.845 9.308 62.223 1 U -6.371e+03 0.00e+00 m 0 682 685 674 0 2739 2.669 7.610 39.091 1 U 3.377e+03 0.00e+00 m 0 804 808 802 0 2740 2.669 7.965 39.091 1 U 2.811e+03 0.00e+00 m 0 804 0 802 0 2741 4.197 7.586 57.084 1 U 3.863e+03 0.00e+00 m 0 815 808 814 0 2742 3.699 0.846 44.682 1 U 2.502e+03 0.00e+00 m 0 0 0 0 0 2743 0.630 9.316 54.580 1 U -1.812e+03 0.00e+00 m 0 900 685 901 0 2747 2.630 7.171 42.361 1 U 2.598e+03 0.00e+00 m 0 0 0 0 0 2748 2.630 6.984 42.361 1 U 1.854e+03 0.00e+00 m 0 0 0 0 0 2749 2.630 8.060 42.361 1 U 1.917e+03 0.00e+00 m 0 911 933 910 0 2750 1.689 7.173 31.649 1 U 2.439e+03 0.00e+00 m 0 939 0 936 0 2751 3.916 6.362 60.116 1 U 1.778e+03 0.00e+00 m 0 983 0 982 0 2752 3.916 8.050 60.116 1 U 2.002e+03 0.00e+00 m 0 983 1070 982 0 2753 3.916 8.805 60.116 1 U 1.974e+03 0.00e+00 m 0 983 981 982 0 2754 3.606 2.656 27.954 1 U 2.391e+03 0.00e+00 m 0 1011 0 1010 0 2755 0.077 6.357 53.391 1 U -3.076e+03 0.00e+00 m 0 1045 1031 1046 0 2757 0.077 7.138 53.391 1 U -2.278e+03 0.00e+00 m 0 1045 959 1046 0 2760 3.814 1.492 59.663 1 U 1.622e+04 0.00e+00 m 0 1054 0 1053 0 2762 3.272 0.090 38.956 1 U 3.072e+03 0.00e+00 m 0 1090 1045 1087 0 2767 1.185 6.767 60.516 1 U -4.777e+03 0.00e+00 m 0 1172 1092 1173 0 2768 1.185 7.074 60.516 1 U -2.904e+03 0.00e+00 m 0 1172 1091 1173 0 2769 1.185 7.613 60.516 1 U -1.548e+03 0.00e+00 m 0 1172 0 1173 0 2770 1.185 7.942 60.516 1 U -3.145e+04 0.00e+00 m 0 1172 1169 1173 0 2771 2.265 0.831 32.484 1 U 1.112e+04 0.00e+00 m 0 168 0 167 0 2773 1.563 7.869 42.488 1 U 1.014e+04 0.00e+00 m 0 610 0 609 0 2774 2.674 2.882 40.194 1 U 7.533e+03 0.00e+00 m 0 160 592 158 0 2775 3.196 2.882 40.194 1 U 6.925e+03 0.00e+00 m 0 159 592 158 0 2776 2.755 7.084 38.122 1 U 9.810e+02 0.00e+00 m 0 0 0 0 0 2777 2.701 7.082 38.122 1 U 9.400e+02 0.00e+00 m 0 0 0 0 0 #!/bin/csh rm *.viol rm *.upl rm *.cor rm *.out rm *.ovw rm *.loners rm *.ps rm *.ang rm *.log info := normal name := sdf1a tf_type := 2 cut_tf := 1000.0 seed := 35621 cut_upl := 0.1 cut_aco := 2.0 cyanalib #dyanalib read seq ./sdf1a.seq read prot ./sdf1a.prot atom shift check read peaks ./c13no_ed.peaks assigned integrated peak set volume=abs(volume) #caliba caliba bb=1.1E+07 dmax=5.5 write upl c13no_cal.upl distance delete read peaks ./no15n_ed.peaks assigned integrated peak set volume=abs(volume) #caliba caliba bb=5.0E+06 dmax=5.5 write upl n15no_cal.upl distance delete read peaks ./c13no_ar_ed.peaks assigned integrated peak set volume=abs(volume) #caliba caliba bb=1.5E+06 dmax=5.5 write upl c13no_ar_cal.upl distance delete read upl c13no_cal.upl read upl cyss.upl append read lol cyss.lol append read upl n15no_cal.upl append read upl c13no_ar_cal.upl append distance modify distance check write upl sdf1a.upl #read upl cycle7.upl read aco sdf1a.aco ssbond 9-34 ssbond 11-50 #distance select all distance stat #dcostat ctmoc_dco #seqplot ctmoc_seq nproc=4 calc_all 100 command=anneal steps=10000 overview structures=20 range=9..64 cor full vdw ramachandran file=rama nobackground label 62 LEU HA 62 LEU HB2 2.87 49 VAL HA 49 VAL HB 2.77 15 GLU- HA 15 GLU- HB2 2.99 15 GLU- HA 15 GLU- HB3 2.99 13 PHE HA 13 PHE HB3 2.93 8 ARG+ HA 8 ARG+ HB2 2.96 8 ARG+ HA 8 ARG+ HB3 2.96 5 LEU HA 5 LEU HB2 3.02 5 LEU HA 5 LEU HB3 3.02 22 ASN HA 22 ASN HB3 3.02 22 ASN HA 22 ASN HB2 3.02 27 LYS+ HA 27 LYS+ HB2 2.99 27 LYS+ HA 27 LYS+ HB3 2.99 39 VAL HA 39 VAL HB 3.02 57 TRP HA 57 TRP HB3 2.71 57 TRP HA 57 TRP HB2 2.71 62 LEU HA 62 LEU HB3 2.87 13 PHE HA 13 PHE HB2 2.93 12 ARG+ HA 12 ARG+ HB3 2.83 12 ARG+ HA 12 ARG+ HB2 2.83 17 HIS+ HA 17 HIS+ HB2 3.02 64 LYS+ QB 65 ALA HA 5.26 58 ILE HA 61 TYR QB 4.18 61 TYR HA 64 LYS+ QB 4.45 57 TRP HA 60 GLU- HB2 3.76 57 TRP HA 60 GLU- HB3 3.76 59 GLN HA 60 GLU- HN 3.52 59 GLN HA 62 LEU HN 3.08 68 LYS+ HN 68 LYS+ HB3 3.55 62 LEU HN 62 LEU HB2 3.24 62 LEU HN 62 LEU HB3 3.24 61 TYR QB 62 LEU HN 4.39 61 TYR HA 64 LYS+ HN 3.89 59 GLN QB 60 GLU- HN 4.27 58 ILE HN 58 ILE HB 3.33 58 ILE HA 61 TYR HN 3.73 57 TRP HN 57 TRP HB3 3.76 56 LYS+ QB 57 TRP HN 4.70 56 LYS+ HA 59 GLN QB 4.21 56 LYS+ HA 59 GLN HN 3.73 55 LEU HB2 58 ILE HN 3.92 55 LEU HN 55 LEU HA 2.87 52 ASP- HN 52 ASP- HB3 3.05 52 ASP- HA 54 LYS+ HN 4.07 50 CYSS HB3 51 ILE HN 3.89 50 CYSS HB2 51 ILE HN 3.89 39 VAL HA 50 CYSS HA 3.21 50 CYSS HA 51 ILE HN 2.77 49 VAL HB 50 CYSS HN 2.96 48 GLN HA 49 VAL HN 2.49 42 LEU HN 42 LEU HB3 3.42 26 LEU HA 40 ALA HA 2.96 40 ALA HA 41 ARG+ HN 2.71 38 ILE HN 38 ILE HB 3.24 37 GLN HN 37 GLN HB2 3.76 36 LEU HB2 37 GLN HN 3.92 36 LEU HB3 37 GLN HN 3.92 32 PRO HA 33 ASN HN 3.42 31 THR HN 31 THR HB 3.52 30 ASN HB3 31 THR HN 4.26 30 ASN HB2 31 THR HN 4.26 28 ILE HB 29 LEU HN 4.17 26 LEU HA 27 LYS+ HB3 4.35 26 LEU HA 27 LYS+ HB2 4.35 27 LYS+ HN 27 LYS+ HB3 3.36 25 HIS+ HN 25 HIS+ HB3 3.89 25 HIS+ HN 25 HIS+ HB2 3.89 24 LYS+ HN 24 LYS+ HB2 3.30 24 LYS+ HN 24 LYS+ HB3 3.30 23 VAL HN 23 VAL HB 2.68 23 VAL HA 42 LEU HA 3.33 23 VAL HA 25 HIS+ HN 3.89 19 ALA HN 22 ASN HB2 3.98 22 ASN HN 22 ASN HB3 2.99 19 ALA HN 22 ASN HB3 3.98 21 ALA HA 22 ASN HN 3.42 20 ARG+ HN 20 ARG+ HB3 3.14 20 ARG+ HB3 21 ALA HN 3.89 20 ARG+ HN 20 ARG+ HB2 3.14 20 ARG+ HA 23 VAL HB 3.76 19 ALA HA 20 ARG+ HA 4.23 19 ALA HA 20 ARG+ HN 2.80 18 VAL HN 18 VAL HB 2.96 18 VAL HA 19 ALA HN 2.49 17 HIS+ HA 17 HIS+ HB3 3.02 15 GLU- HN 15 GLU- HB3 3.14 15 GLU- HN 15 GLU- HB2 3.14 13 PHE HN 13 PHE HB3 3.58 12 ARG+ HB3 13 PHE HN 4.51 12 ARG+ HB2 13 PHE HN 4.51 9 CYSS HB2 11 CYSS HN 3.83 63 GLU- HN 63 GLU- HB3 2.80 63 GLU- HB2 64 LYS+ HN 3.95 63 GLU- HN 63 GLU- HB2 2.80 47 ARG+ HB3 48 GLN HN 3.64 56 LYS+ HA 60 GLU- HN 4.23 43 LYS+ HA 43 LYS+ HE3 4.14 43 LYS+ HA 43 LYS+ HG3 3.24 60 GLU- HA 60 GLU- HG2 3.55 63 GLU- HA 63 GLU- HG3 3.98 56 LYS+ HA 56 LYS+ QD 5.45 56 LYS+ HA 56 LYS+ HG3 3.64 31 THR HA 32 PRO HD2 2.93 15 GLU- HA 15 GLU- HG3 4.23 15 GLU- HA 15 GLU- HG2 4.23 15 GLU- HB2 15 GLU- HG2 3.05 15 GLU- HB2 15 GLU- HG3 3.05 8 ARG+ HA 8 ARG+ QD 6.16 24 LYS+ HA 24 LYS+ QD 6.38 24 LYS+ HB2 43 LYS+ HE2 6.85 24 LYS+ HB3 43 LYS+ HE2 6.85 24 LYS+ HA 24 LYS+ HE2 4.76 24 LYS+ HB2 24 LYS+ HE2 5.58 24 LYS+ HB3 24 LYS+ HE2 5.58 27 LYS+ HA 27 LYS+ QE 6.19 27 LYS+ HA 27 LYS+ QD 6.07 37 GLN HA 37 GLN HG2 3.98 37 GLN HA 37 GLN HG3 3.98 28 ILE HA 28 ILE HG13 4.14 41 ARG+ HA 41 ARG+ QD 4.89 42 LEU HA 42 LEU HG 4.20 47 ARG+ HA 47 ARG+ HD2 5.50 47 ARG+ HA 47 ARG+ QG 4.02 54 LYS+ HA 54 LYS+ QE 6.38 54 LYS+ QB 54 LYS+ QE 5.05 54 LYS+ HA 54 LYS+ QD 5.26 55 LEU HA 55 LEU HG 3.49 56 LYS+ HA 56 LYS+ QE 6.38 56 LYS+ QB 56 LYS+ QE 7.25 56 LYS+ HA 56 LYS+ HG2 3.64 58 ILE HA 58 ILE HG12 4.07 58 ILE HA 58 ILE HG13 4.07 59 GLN HA 59 GLN HG3 3.21 59 GLN HA 59 GLN HG2 3.21 15 GLU- HB3 15 GLU- HG3 3.05 15 GLU- HB3 15 GLU- HG2 3.05 60 GLU- HA 60 GLU- HG3 3.55 62 LEU HA 62 LEU HG 4.14 63 GLU- HA 63 GLU- HG2 3.98 64 LYS+ HA 64 LYS+ HG2 3.39 64 LYS+ QB 64 LYS+ QE 6.91 64 LYS+ HA 64 LYS+ QE 6.10 64 LYS+ HA 64 LYS+ QD 4.55 64 LYS+ HA 64 LYS+ HG3 3.39 26 LEU HA 26 LEU HG 3.11 68 LYS+ HA 68 LYS+ QD 5.66 68 LYS+ HA 68 LYS+ QE 6.38 68 LYS+ HB2 68 LYS+ QE 5.23 68 LYS+ HB3 68 LYS+ QE 5.23 12 ARG+ HA 12 ARG+ HG3 3.55 12 ARG+ HA 12 ARG+ HG2 3.55 12 ARG+ HA 12 ARG+ QD 5.51 43 LYS+ HA 43 LYS+ HE2 4.14 43 LYS+ HG2 43 LYS+ HE2 3.80 43 LYS+ HG2 43 LYS+ HE3 3.80 43 LYS+ HG3 43 LYS+ HE2 3.80 43 LYS+ HB3 43 LYS+ HE2 5.39 43 LYS+ HB3 43 LYS+ HE3 5.39 43 LYS+ HB2 43 LYS+ HE3 5.39 43 LYS+ HB2 43 LYS+ HE2 5.39 43 LYS+ HG3 43 LYS+ HE3 3.80 24 LYS+ HE2 43 LYS+ HG2 4.54 24 LYS+ HE2 43 LYS+ HG3 4.54 20 ARG+ HA 20 ARG+ HG2 3.45 20 ARG+ HA 20 ARG+ HG3 3.45 20 ARG+ HA 20 ARG+ QD 3.34 28 ILE HA 28 ILE HG12 4.14 41 ARG+ HA 41 ARG+ HG3 3.92 1 LYS+ HA 1 LYS+ QE 6.38 1 LYS+ HA 1 LYS+ QD 6.38 66 LEU HA 66 LEU HG 3.08 9 CYSS HB3 10 PRO QD 5.63 9 CYSS HB2 10 PRO QD 5.63 43 LYS+ HA 43 LYS+ HG2 3.24 24 LYS+ HE3 43 LYS+ HG3 4.54 24 LYS+ HE3 43 LYS+ HG2 4.54 56 LYS+ QD 59 GLN QB 7.25 55 LEU HB2 58 ILE HG13 7.13 66 LEU HN 66 LEU HG 3.73 63 GLU- HN 63 GLU- HG2 4.29 62 LEU HG 63 GLU- HN 5.25 61 TYR QB 62 LEU HG 6.38 61 TYR QD 62 LEU HA 6.71 58 ILE HN 58 ILE HG12 4.54 58 ILE HA 61 TYR QD 6.62 57 TRP HE3 58 ILE HA 5.25 55 LEU HN 55 LEU HG 3.08 42 LEU HN 42 LEU HG 3.08 55 LEU HB3 58 ILE HG13 7.13 54 LYS+ HN 54 LYS+ QD 6.38 54 LYS+ HN 54 LYS+ QG 4.86 53 PRO HD3 54 LYS+ HN 4.38 53 PRO HG3 54 LYS+ HN 4.35 53 PRO HG2 54 LYS+ HN 4.35 53 PRO HA 58 ILE HB 4.38 52 ASP- HB3 55 LEU HG 4.07 16 SER HA 52 ASP- HB3 4.66 52 ASP- HB2 55 LEU HG 4.07 16 SER HA 52 ASP- HB2 4.66 51 ILE HN 51 ILE HG13 3.86 38 ILE HB 51 ILE HB 3.67 41 ARG+ HG2 48 GLN HB3 5.61 41 ARG+ HG2 48 GLN HB2 5.61 47 ARG+ QG 48 GLN HA 5.48 24 LYS+ HA 43 LYS+ HG2 4.82 24 LYS+ HA 43 LYS+ HG3 4.82 42 LEU HA 43 LYS+ HG2 5.10 42 LEU HA 43 LYS+ HG3 5.10 43 LYS+ HN 43 LYS+ HG2 4.07 43 LYS+ HN 43 LYS+ HG3 4.07 42 LEU HB3 47 ARG+ HN 5.25 41 ARG+ QD 46 ASN HA 6.07 41 ARG+ QD 48 GLN HE22 6.38 41 ARG+ QD 42 LEU HN 6.00 35 ALA HA 36 LEU HG 4.20 36 LEU HN 36 LEU HG 3.30 36 LEU HG 37 GLN HN 4.48 41 ARG+ HG3 42 LEU HN 4.76 41 ARG+ HA 41 ARG+ HG2 3.92 41 ARG+ HG2 42 LEU HN 4.76 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 5.32 27 LYS+ HN 39 VAL HB 4.38 38 ILE HN 38 ILE HG12 5.00 38 ILE HB 51 ILE HN 4.29 59 GLN HN 59 GLN HG3 3.95 59 GLN HN 59 GLN HG2 3.95 36 LEU HB2 37 GLN HG3 7.16 36 LEU HB2 37 GLN HG2 7.16 37 GLN HN 37 GLN HG3 5.28 37 GLN HN 37 GLN HG2 5.28 31 THR HB 34 CYSS HB2 4.23 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 2.93 10 PRO QG 37 GLN HE22 6.38 10 PRO QG 37 GLN HE21 6.38 31 THR HB 34 C973 83 GLN HA 84 PHE HN 3.39 #peak 2994 84 PHE HN 84 PHE HB2 4.14 #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 4.20 #peak 3067 89 ASP- HN 89 ASP- HB2 4.14 #peak 3068 89 ASP- HB2 90 ARG+ HN 3.89 #peak 3069 89 ASP- HN 89 ASP- HB3 3.92 #peak 3070 89 ASP- HB3 90 ARG+ HN 3.76 #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 3.11 #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 4.35 #peak 3123 93 TYR HA 94 VAL HN 3.21 #peak 3127 43 LEU HN 93 TYR HA 3.95 #peak 3128 93 TYR HN 93 TYR HA 4.01 #peak 3129 93 TYR HB2 94 VAL HN 4.42 #peak 3130 94 VAL HN 94 VAL HB 3.73 #peak 3133 94 VAL HB 95 ILE HN 4.51 #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 4.26 #peak 3261 49 SER QB 50 TRP HN 4.70 #peak 3270 49 SER HA 50 TRP HN 3.61 #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 4.07 #peak 3282 33 PRO HA 33 PRO HB3 3.39 #peak 3317 15 SER HA 15 SER QB 3.99 #peak 3324 36 PHE HN 36 PHE HB3 3.36 #peak 3333 36 PHE HN 36 PHE HB2 3.27 #peak 3334 36 PHE HA 36 PHE HB2 3.33 #peak 3339 36 PHE HA 36 PHE HB3 3.39 #peak 3343 37 PRO HA 38 ILE HN 2.96 #peak 3360 33 PRO HB2 34 ALA HN 3.86 #peak 3372 33 PRO HA 33 PRO HB2 3.55 #peak 3376 86 TYR HA 92 PHE HA 3.92 #peak 3388 86 TYR HA 92 PHE HA 4.01 #peak 3389 56 LYS+ HA 61 VAL HA 3.39 #peak 3406 54 MET HA 63 LEU HA 4.01 #peak 3408 65 VAL HN 65 VAL HA 4.07 #peak 3409 1 MET HA 1 MET HG2 4.85 #peak 4 1 MET HA 1 MET HG3 4.32 #peak 5 1 MET HB3 1 MET HB2 2.40 #peak 8 1 MET HB2 1 MET HG2 3.33 #peak 9 1 MET HB2 1 MET HG3 3.02 #peak 10 1 MET HB2 1 MET HB3 2.40 #peak 12 1 MET HB3 1 MET HG2 3.45 #peak 14 1 MET HB3 1 MET HG3 3.33 #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 2.99 #peak 23 1 MET HG2 1 MET HG3 2.40 #peak 24 6 GLU- HA 6 GLU- QG 5.23 #peak 46 6 GLU- QB 6 GLU- QG 5.67 #peak 49 6 GLU- HA 6 GLU- QG 5.07 #peak 50 6 GLU- QB 6 GLU- QG 5.33 #peak 51 8 GLN HA 8 GLN QG 5.20 #peak 72 8 GLN HB3 8 GLN HB2 2.59 #peak 75 8 GLN HB2 8 GLN QG 4.45 #peak 76 8 GLN HB2 8 GLN HB3 2.77 #peak 78 8 GLN HB3 8 GLN QG 4.42 #peak 80 8 GLN HA 8 GLN QG 6.10 #peak 81 8 GLN HB2 8 GLN QG 4.89 #peak 82 8 GLN HB3 8 GLN QG 4.92 #peak 83 9 PHE HB3 9 PHE HB2 3.83 #peak 90 9 PHE HB2 9 PHE HB3 3.79 #peak 92 10 MET HA 10 MET HG3 4.54 #peak 96 10 MET QB 10 MET HG3 5.20 #peak 99 10 MET HA 10 MET HG3 4.60 #peak 100 10 MET QB 10 MET HG3 4.33 #peak 101 11 LYS+ HA 11 LYS+ QD 5.73 #peak 106 11 LYS+ HA 11 LYS+ QE 6.38 #peak 107 11 LYS+ HB3 11 LYS+ HB2 2.93 #peak 110 11 LYS+ HB2 11 LYS+ QD 4.89 #peak 111 11 LYS+ HB2 11 LYS+ QE 6.38 #peak 112 11 LYS+ HB2 11 LYS+ HB3 2.86 #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 5.48 #peak 119 72 LYS+ QB 72 LYS+ QE 6.32 #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 7.19 #peak 124 12 PRO QG 12 PRO QD 6.91 #peak 125 12 PRO QG 12 PRO HA 5.51 #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 6.04 #peak 135 12 PRO QB 12 PRO QG 6.63 #peak 136 12 PRO QD 12 PRO QG 6.60 #peak 138 13 PHE HB3 13 PHE HB2 4.26 #peak 144 13 PHE HB2 13 PHE HB3 4.07 #peak 146 14 ILE HA 14 ILE HG12 4.66 #peak 151 14 ILE HA 14 ILE HG13 5.50 #peak 152 14 ILE HB 14 ILE HG12 4.17 #peak 157 14 ILE HB 14 ILE HG13 4.97 #peak 158 14 ILE HA 14 ILE HG12 5.38 #peak 166 14 ILE HB 14 ILE HG12 3.79 #peak 167 14 ILE HG13 14 ILE HG12 2.93 #peak 170 14 ILE HA 14 ILE HG13 4.72 #peak 172 14 ILE HB 14 ILE HG13 4.10 #peak 173 14 ILE HG12 14 ILE HG13 2.90 #peak 175 16 GLU- HA 16 GLU- QG 5.23 #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 4.18 #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 5.22 #peak 207 17 LYS+ HA 17 LYS+ HG3 5.50 #peak 208 17 LYS+ HA 17 LYS+ QD 5.66 #peak 209 17 LYS+ HA 17 LYS+ QE 6.38 #peak 210 17 LYS+ HB3 17 LYS+ HB2 3.14 #peak 213 17 LYS+ HB2 17 LYS+ HG2 4.35 #peak 214 17 LYS+ HB2 17 LYS+ HG3 4.32 #peak 215 17 LYS+ HB2 17 LYS+ QD 5.51 #peak 216 17 LYS+ HB2 17 LYS+ QE 6.38 #peak 217 17 LYS+ HB2 17 LYS+ HB3 3.24 #peak 219 17 LYS+ HB3 17 LYS+ HG2 3.08 #peak 221 17 LYS+ HB3 17 LYS+ HG3 3.61 #peak 222 17 LYS+ HB3 17 LYS+ QD 4.30 #peak 223 17 LYS+ HB3 17 LYS+ QE 6.38 #peak 224 17 LYS+ HA 17 LYS+ HG2 4.23 #peak 225 17 LYS+ HB2 17 LYS+ HG2 3.67 #peak 226 17 LYS+ HB3 17 LYS+ HG2 3.14 #peak 227 17 LYS+ HG3 17 LYS+ HG2 2.40 #peak 229 17 LYS+ HG2 17 LYS+ QD 3.96 #peak 230 17 LYS+ HG2 17 LYS+ QE 5.38 #peak 231 17 LYS+ HA 17 LYS+ HG3 4.14 #peak 232 17 LYS+ HB2 17 LYS+ HG3 3.08 #peak 233 17 LYS+ HB3 17 LYS+ HG3 2.80 #peak 234 17 LYS+ HG2 17 LYS+ HG3 2.40 #peak 235 17 LYS+ HG3 17 LYS+ QD 3.46 #peak 237 17 LYS+ HG3 17 LYS+ QE 5.01 #peak 238 18 SER HB3 18 SER HB2 5.50 #peak 244 18 SER HB2 18 SER HB3 4.23 #peak 246 20 LYS+ HA 20 LYS+ QE 6.38 #peak 255 20 LYS+ HB3 20 LYS+ HB2 3.17 #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 4.07 #peak 282 23 GLU- HB2 23 GLU- HB3 4.42 #peak 284 25 PRO HB3 25 PRO HB2 2.90 #peak 291 25 PRO HB2 25 PRO HB3 3.30 #peak 293 31 TYR HB3 31 TYR HB2 4.42 #peak 317 31 TYR HB2 31 TYR HB3 4.63 #peak 319 37 PRO HB3 37 PRO HB2 2.90 #peak 326 37 PRO HB2 37 PRO HB3 3.05 #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 4.42 #peak 365 48 ARG+ HB2 48 ARG+ HB3 4.54 #peak 367 56 LYS+ HB3 56 LYS+ HB2 2.65 #peak 402 56 LYS+ HB2 56 LYS+ HB3 2.83 #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 3.48 #peak 424 60 LYS+ HB2 60 LYS+ HB3 3.86 #peak 426 67 TRP HB3 67 TRP HB2 4.69 #peak 457 67 TRP HB2 67 TRP HB3 4.60 #peak 459 69 ASN HB3 69 ASN HB2 2.65 #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 4.14 #peak 508 76 LEU HB2 76 LEU HB3 3.86 #peak 510 77 GLU- HB3 77 GLU- HB2 2.80 #peak 517 77 GLU- HB2 77 GLU- HB3 2.46 #peak 519 81 TYR HB3 81 TYR HB2 4.14 #peak 535 81 TYR HB2 81 TYR HB3 4.26 #peak 537 82 LEU HB3 82 LEU HB2 3.52 #peak 544 82 LEU HB2 82 LEU HB3 3.95 #peak 546 83 GLN HA 83 GLN HG2 5.13 #peak 549 83 GLN HA 83 GLN HG3 5.50 #peak 550 83 GLN HA 83 GLN HG2 5.44 #peak 551 83 GLN HG3 83 GLN HG2 3.67 #peak 553 83 GLN HA 83 GLN HG3 5.50 #peak 554 83 GLN HG2 83 GLN HG3 3.67 #peak 555 84 PHE HB3 84 PHE HB2 4.20 #peak 562 84 PHE HB2 84 PHE HB3 4.14 #peak 564 86 TYR HB3 86 TYR HB2 3.92 #peak 575 86 TYR HB2 86 TYR HB3 3.73 #peak 577 89 ASP- HB3 89 ASP- HB2 3.70 #peak 588 89 ASP- HB2 89 ASP- HB3 3.61 #peak 590 90 ARG+ HB3 90 ARG+ HB2 4.07 #peak 597 90 ARG+ HB2 90 ARG+ HB3 4.35 #peak 599 92 PHE HB3 92 PHE HB2 4.26 #peak 607 92 PHE HB2 92 PHE HB3 4.01 #peak 609 97 TYR HB3 97 TYR HB2 4.20 #peak 632 97 TYR HB2 97 TYR HB3 4.38 #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 5.00 #peak 663 22 LEU HB2 22 LEU HG 5.50 #peak 666 22 LEU HA 22 LEU HG 5.34 #peak 669 23 GLU- HA 23 GLU- HG3 5.07 #peak 674 23 GLU- HA 23 GLU- HG2 5.41 #peak 675 23 GLU- HA 23 GLU- HG2 4.38 #peak 676 23 GLU- HA 23 GLU- HG3 4.85 #peak 677 25 PRO HA 25 PRO HG2 5.22 #peak 678 25 PRO HA 25 PRO HG3 4.94 #peak 679 35 PRO HB3 35 PRO QG 4.55 #peak 727 48 ARG+ HA 48 ARG+ HG2 4.69 #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 4.48 #peak 819 54 MET HA 54 MET HG3 4.54 #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 4.23 #peak 933 72 LYS+ HA 72 LYS+ HG3 4.20 #peak 935 82 LEU HA 82 LEU HG 5.16 #peak 989 88 ARG+ HA 88 ARG+ HG2 5.34 #peak 1028 88 ARG+ HA 88 ARG+ HG3 5.28 #peak 1029 6 GLU- HN 6 GLU- QG 5.57 #peak 1528 6 GLU- QG 7 VAL HN 6.04 #peak 1529 80 LYS+ QB 97 TYR QD 8.52 #peak 1532 8 GLN HB2 8 GLN HE21 4.76 #peak 1551 8 GLN HB2 85 ILE HA 5.19 #peak 1552 8 GLN HB3 8 GLN HE21 5.41 #peak 1555 8 GLN QG 9 PHE HN 6.22 #peak 1558 9 PHE HA 9 PHE QD 7.28 #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 4.57 #peak 1568 10 MET HG3 97 TYR QE 7.63 #peak 1569 10 MET HN 10 MET HG3 4.72 #peak 1570 10 MET HG3 11 LYS+ HN 4.97 #peak 1571 10 MET QB 10 MET HG2 4.18 #peak 1576 11 LYS+ HA 12 PRO QD 5.23 #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 5.17 #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 5.07 #peak 1647 63 LEU HN 63 LEU HG 5.50 #peak 1648 14 ILE HN 14 ILE HG13 5.19 #peak 1649 68 GLU- HA 68 GLU- HG3 4.51 #peak 1661 16 GLU- QG 17 LYS+ HN 6.38 #peak 1677 16 GLU- HN 16 GLU- QG 5.94 #peak 1678 17 LYS+ HN 17 LYS+ HG2 4.82 #peak 1698 17 LYS+ HG2 18 SER HN 5.50 #peak 1699 17 LYS+ HN 17 LYS+ HG3 4.54 #peak 1700 17 LYS+ HG3 18 SER HN 5.50 #peak 1701 21 SER HB2 64 THR HA 4.57 #peak 1716 21 SER HB3 64 THR HA 5.19 #peak 1718 21 SER HB2 21 SER HB3 2.93 #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 5.22 #peak 1735 11 LYS+ QE 22 LEU HG 6.38 #peak 1736 22 LEU HA 22 LEU HG 5.22 #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 4.94 #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 4.07 #peak 1795 24 ILE HA 24 ILE HG12 5.50 #peak 1796 24 ILE HA 24 ILE HG13 5.10 #peak 1797 24 ILE HB 24 ILE HG13 3.89 #peak 1801 24 ILE HA 25 PRO HD2 4.32 #peak 1809 24 ILE HG13 25 PRO HD3 4.20 #peak 1815 24 ILE HG12 25 PRO HD3 4.04 #peak 1816 24 ILE HA 24 ILE HG12 5.50 #peak 1817 24 ILE HA 24 ILE HG13 5.19 #peak 1818 24 ILE HG12 32 PHE QE 7.62 #peak 1827 24 ILE HN 24 ILE HG12 4.79 #peak 1828 24 ILE HN 24 ILE HG13 4.66 #peak 1829 24 ILE HA 25 PRO HD2 4.14 #peak 1836 25 PRO HD2 25 PRO HD3 3.89 #peak 1837 24 ILE HA 25 PRO HD3 4.32 #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 4.42 #peak 1848 25 PRO HD3 25 PRO HD2 3.64 #peak 1852 25 PRO HG3 25 PRO HD2 4.82 #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 4.76 #peak 1861 25 PRO HD2 25 PRO HG2 5.07 #peak 1862 25 PRO HD2 25 PRO HB3 5.50 #peak 1863 26 LEU HA 26 LEU HG 3.27 #peak 1864 26 LEU HG 60 LYS+ HE3 5.50 #peak 1868 26 LEU HA 26 LEU HG 4.45 #peak 1876 26 LEU HN 26 LEU HG 4.60 #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 7.31 #peak 1894 28 PHE QD 28 PHE HB2 7.62 #peak 1900 28 PHE QD 28 PHE HB3 7.50 #peak 1901 25 PRO HB3 28 PHE HB2 5.50 #peak 1906 29 ASN HA 32 PHE QD 6.60 #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 4.73 #peak 1929 35 PRO QG 35 PRO HB3 4.27 #peak 1933 35 PRO HB2 35 PRO HB3 2.59 #peak 1935 35 PRO HD3 35 PRO HB3 4.29 #peak 1936 35 PRO HB2 35 PRO QG 4.89 #peak 1940 35 PRO HA 35 PRO QG 6.00 #peak 1942 35 PRO HB2 35 PRO HD3 4.63 #peak 1943 35 PRO HB3 35 PRO HD3 4.54 #peak 1944 35 PRO QG 35 PRO HD3 4.64 #peak 1945 35 PRO HA 35 PRO HD3 5.10 #peak 1947 35 PRO HA 35 PRO HD2 5.22 #peak 1948 35 PRO HB2 35 PRO HD2 4.82 #peak 1949 35 PRO QG 35 PRO HD2 4.73 #peak 1950 35 PRO HB3 35 PRO HD2 4.48 #peak 1951 35 PRO HA 35 PRO HD3 5.10 #peak 1956 37 PRO HG2 37 PRO HD3 4.20 #peak 1958 37 PRO HG3 37 PRO HD3 3.95 #peak 1959 36 PHE HB2 37 PRO HD3 5.00 #peak 1960 37 PRO HD2 37 PRO HD3 3.76 #peak 1961 36 PHE HA 37 PRO HD3 4.07 #peak 1962 36 PHE HB2 37 PRO HD2 4.79 #peak 1964 37 PRO HB2 37 PRO HD2 5.28 #peak 1966 37 PRO HG2 37 PRO HD2 4.10 #peak 1967 37 PRO HG3 37 PRO HD2 4.23 #peak 1968 25 PRO HG3 25 PRO HD3 4.76 #peak 1971 25 PRO HG2 25 PRO HD3 4.10 #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 4.60 #peak 1976 33 PRO HG2 33 PRO HD2 4.72 #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 4.76 #peak 1980 33 PRO HG2 33 PRO HD3 4.63 #peak 1981 33 PRO HD2 33 PRO HD3 4.20 #peak 1983 32 PHE HA 33 PRO HD2 4.82 #peak 1984 32 PHE HA 33 PRO HD3 4.48 #peak 1985 32 PHE HA 33 PRO HD3 4.76 #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 4.17 #peak 1999 37 PRO HD3 37 PRO HG2 4.23 #peak 2012 37 PRO HD3 37 PRO HG3 4.14 #peak 2018 37 PRO HA 37 PRO HG2 4.29 #peak 2021 37 PRO HA 37 PRO HG3 5.07 #peak 2022 37 PRO HG2 55 LYS+ HA 4.63 #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 3.76 #peak 2034 38 ILE HB 38 ILE HG13 4.07 #peak 2035 38 ILE HA 38 ILE HG12 4.38 #peak 2041 38 ILE HA 38 ILE HG13 4.57 #peak 2042 38 ILE HG13 38 ILE HG12 2.74 #peak 2044 38 ILE HB 38 ILE HG12 3.67 #peak 2047 38 ILE HG12 38 ILE HG13 2.62 #peak 2050 38 ILE HB 38 ILE HG13 3.98 #peak 2051 38 ILE HA 38 ILE HG13 4.17 #peak 2057 38 ILE HA 38 ILE HG12 4.45 #peak 2058 38 ILE HG12 39 THR HN 5.50 #peak 2090 38 ILE HN 38 ILE HG12 4.17 #peak 2091 38 ILE HG13 39 THR HN 5.50 #peak 2092 38 ILE HN 38 ILE HG13 4.26 #peak 2093 55 LYS+ HB2 62 PHE QB 6.38 #peak 2125 41 ASP- HB2 91 THR HA 5.47 #peak 2129 41 ASP- HB3 91 THR HA 5.50 #peak 2130 62 PHE QD 62 PHE QB 8.50 #peak 2145 42 LEU HB3 42 LEU HB2 4.07 #peak 2153 42 LEU HB3 42 LEU HG 5.50 #peak 2160 42 LEU HB2 42 LEU HB3 4.07 #peak 2161 42 LEU HB2 42 LEU HG 5.50 #peak 2170 53 ARG+ HG2 54 MET HN 4.94 #peak 2190 53 ARG+ HN 53 ARG+ HG2 4.54 #peak 2191 42 LEU HN 42 LEU HG 5.07 #peak 2192 42 LEU HB2 49 SER HA 5.50 #peak 2195 42 LEU HA 42 LEU HG 5.16 #peak 2222 43 LEU HB3 43 LEU HG 3.76 #peak 2225 43 LEU HB3 93 TYR HA 5.04 #peak 2230 43 LEU HG 49 SER QB 6.38 #peak 2232 43 LEU HA 43 LEU HG 4.57 #peak 2234 43 LEU HG 44 ASP- HN 5.50 #peak 2261 43 LEU HN 43 LEU HG 4.76 #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 4.07 #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 4.85 #peak 2284 48 ARG+ HA 48 ARG+ HG2 4.76 #peak 2285 48 ARG+ HA 48 ARG+ HG3 4.45 #peak 2286 48 ARG+ HG3 49 SER HN 5.47 #peak 2287 48 ARG+ HN 48 ARG+ HG3 5.44 #peak 2288 48 ARG+ HD2 48 ARG+ HD3 2.55 #peak 2289 48 ARG+ HA 48 ARG+ HD3 5.47 #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 4.42 #peak 2296 48 ARG+ HD2 49 SER HN 5.50 #peak 2299 48 ARG+ HA 48 ARG+ HD2 5.50 #peak 2301 49 SER HA 50 TRP HE3 5.07 #peak 2302 48 ARG+ HA 48 ARG+ HG3 4.57 #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 4.54 #peak 2306 48 ARG+ HG3 48 ARG+ HD3 4.79 #peak 2307 48 ARG+ HG2 48 ARG+ HD3 4.45 #peak 2308 48 ARG+ HG2 48 ARG+ HG3 3.24 #peak 2309 48 ARG+ HB2 48 ARG+ HG3 4.82 #peak 2310 48 ARG+ HB2 48 ARG+ HG2 3.45 #peak 2311 48 ARG+ HB3 48 ARG+ HG3 4.14 #peak 2312 48 ARG+ HB3 48 ARG+ HD2 4.63 #peak 2313 48 ARG+ HG3 48 ARG+ HD2 3.83 #peak 2314 48 ARG+ HG2 48 ARG+ HD2 3.83 #peak 2315 48 ARG+ HB2 48 ARG+ HD2 4.51 #peak 2316 48 ARG+ HB3 48 ARG+ HD3 4.42 #peak 2319 48 ARG+ HG3 48 ARG+ HD3 3.64 #peak 2320 48 ARG+ HG2 48 ARG+ HD3 4.26 #peak 2321 48 ARG+ HB2 48 ARG+ HD3 4.85 #peak 2322 88 ARG+ QB 88 ARG+ HD3 5.82 #peak 2323 43 LEU HG 49 SER QB 6.25 #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 4.69 #peak 2417 53 ARG+ HB2 65 VAL HN 4.88 #peak 2421 53 ARG+ HA 53 ARG+ HG3 4.32 #peak 2422 53 ARG+ HA 53 ARG+ HG2 4.79 #peak 2424 53 ARG+ HB2 53 ARG+ QD 6.38 #peak 2425 53 ARG+ HG2 53 ARG+ QD 5.32 #peak 2426 53 ARG+ HA 53 ARG+ QD 6.25 #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 5.10 #peak 2449 54 MET HA 54 MET HG2 5.41 #peak 2450 54 MET HA 63 LEU HG 5.50 #peak 2454 54 MET QB 54 MET HG3 4.58 #peak 2455 11 LYS+ HB2 11 LYS+ HB3 3.24 #peak 2456 24 ILE HB 24 ILE HG13 4.35 #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 4.97 #peak 2474 54 MET HN 54 MET HG3 5.50 #peak 2475 55 LYS+ HB3 55 LYS+ QG 5.42 #peak 2484 55 LYS+ HB3 62 PHE QB 6.38 #peak 2486 55 LYS+ HB2 55 LYS+ QG 5.45 #peak 2488 55 LYS+ HB2 62 PHE QB 6.38 #peak 2490 55 LYS+ QG 55 LYS+ QE 7.25 #peak 2493 17 LYS+ HA 17 LYS+ HG2 4.57 #peak 2494 55 LYS+ HA 55 LYS+ QG 6.31 #peak 2495 55 LYS+ HD2 55 LYS+ QE 6.07 #peak 2496 55 LYS+ HD3 55 LYS+ QE 3.74 #peak 2497 55 LYS+ HA 55 LYS+ HD3 3.39 #peak 2499 55 LYS+ HA 55 LYS+ HD2 4.69 #peak 2500 55 LYS+ QG 55 LYS+ QE 5.83 #peak 2503 55 LYS+ HD3 55 LYS+ QE 3.56 #peak 2504 55 LYS+ HD2 55 LYS+ QE 4.45 #peak 2505 55 LYS+ HB3 55 LYS+ QG 4.27 #peak 2506 55 LYS+ QG 55 LYS+ HD2 4.86 #peak 2507 17 LYS+ HN 17 LYS+ HG2 5.25 #peak 2510 55 LYS+ QG 56 LYS+ HN 6.38 #peak 2511 55 LYS+ HN 55 LYS+ QG 6.38 #peak 2512 56 LYS+ HA 56 LYS+ HG2 5.34 #peak 2517 56 LYS+ HN 56 LYS+ HG3 5.19 #peak 2525 56 LYS+ HN 56 LYS+ HG2 5.50 #peak 2527 56 LYS+ HG2 57 ARG+ HN 5.41 #peak 2528 56 LYS+ HB2 56 LYS+ HG2 3.45 #peak 2529 56 LYS+ HG2 56 LYS+ HE3 5.50 #peak 2533 56 LYS+ HG2 56 LYS+ HE2 5.00 #peak 2534 56 LYS+ HG3 56 LYS+ HE3 5.50 #peak 2535 56 LYS+ HG3 56 LYS+ HE2 4.63 #peak 2536 56 LYS+ HG3 56 LYS+ HD3 3.17 #peak 2538 56 LYS+ HD2 56 LYS+ HD3 2.40 #peak 2539 56 LYS+ HB2 56 LYS+ HD3 4.26 #peak 2540 56 LYS+ HD3 56 LYS+ HE3 4.79 #peak 2541 56 LYS+ HD3 56 LYS+ HE2 4.69 #peak 2542 56 LYS+ HG3 56 LYS+ HD2 3.14 #peak 2544 56 LYS+ HD3 56 LYS+ HD2 2.40 #peak 2545 56 LYS+ HB2 56 LYS+ HD2 4.10 #peak 2546 56 LYS+ HD2 56 LYS+ HE3 4.42 #peak 2547 56 LYS+ HD2 56 LYS+ HE2 4.42 #peak 2548 56 LYS+ HE3 56 LYS+ HE2 2.40 #peak 2549 56 LYS+ HG3 56 LYS+ HE2 3.61 #peak 2551 56 LYS+ HD3 56 LYS+ HE2 3.52 #peak 2552 56 LYS+ HB2 56 LYS+ HE2 4.63 #peak 2553 33 PRO HD2 56 LYS+ HE2 4.57 #peak 2554 56 LYS+ HG3 56 LYS+ HE3 3.52 #peak 2557 56 LYS+ HE2 56 LYS+ HE3 2.40 #peak 2561 33 PRO HD2 56 LYS+ HE3 5.19 #peak 2562 36 PHE QD 56 LYS+ HE3 7.62 #peak 2567 59 GLU- QG 60 LYS+ HN 6.38 #peak 2580 59 GLU- HA 59 GLU- QG 5.79 #peak 2583 60 LYS+ HA 60 LYS+ QG 6.38 #peak 2590 60 LYS+ HB3 60 LYS+ QG 5.91 #peak 2591 60 LYS+ HB2 60 LYS+ QG 5.57 #peak 2592 60 LYS+ HB2 60 LYS+ QG 6.38 #peak 2593 63 LEU HN 63 LEU HG 5.50 #peak 2595 60 LYS+ HN 60 LYS+ QG 6.38 #peak 2598 24 ILE HN 61 VAL HB 5.50 #peak 2642 62 PHE QD 62 PHE QB 8.50 #peak 2644 62 PHE HA 62 PHE QD 7.62 #peak 2646 55 LYS+ HB3 62 PHE QB 6.38 #peak 2648 63 LEU HB3 63 LEU HB2 4.48 #peak 2653 67 TRP HA 67 TRP HE3 3.92 #peak 2727 68 GLU- QB 72 LYS+ QE 7.25 #peak 2730 20 LYS+ HA 68 GLU- QB 6.00 #peak 2731 68 GLU- HG3 72 LYS+ HG3 5.50 #peak 2734 68 GLU- HA 68 GLU- HG3 5.31 #peak 2736 20 LYS+ HA 68 GLU- HG3 5.50 #peak 2737 68 GLU- HG2 72 LYS+ HG3 5.50 #peak 2738 68 GLU- HG2 72 LYS+ QE 6.38 #peak 2741 68 GLU- HA 68 GLU- HG2 4.79 #peak 2742 20 LYS+ HA 68 GLU- HG2 5.50 #peak 2743 68 GLU- QB 72 LYS+ HG3 6.38 #peak 2745 68 GLU- HG2 69 ASN HN 5.50 #peak 2749 68 GLU- HN 68 GLU- HG2 4.57 #peak 2750 68 GLU- HG3 69 ASN HN 5.19 #peak 2751 68 GLU- HN 68 GLU- HG3 4.82 #peak 2752 50 TRP HD1 69 ASN HB2 4.66 #peak 2754 69 ASN HB2 69 ASN HD21 5.50 #peak 2756 50 TRP HD1 69 ASN HB3 4.20 #peak 2759 70 PHE HA 70 PHE QD 7.50 #peak 2762 50 TRP HD1 70 PHE HA 5.50 #peak 2764 70 PHE QD 70 PHE QB 8.50 #peak 2766 71 VAL HA 76 LEU HB3 5.50 #peak 2770 71 VAL HA 76 LEU HG 4.66 #peak 2771 72 LYS+ QB 72 LYS+ HG3 5.01 #peak 2811 72 LYS+ QB 72 LYS+ HG2 4.76 #peak 2812 72 LYS+ HG2 72 LYS+ QE 5.79 #peak 2813 72 LYS+ HG3 72 LYS+ QE 4.86 #peak 2814 72 LYS+ HA 72 LYS+ HG3 4.07 #peak 2815 72 LYS+ HA 72 LYS+ HG2 4.35 #peak 2816 72 LYS+ HN 72 LYS+ HG3 4.38 #peak 2823 72 LYS+ HN 72 LYS+ HG2 4.51 #peak 2824 72 LYS+ HG3 73 ASP- HN 5.50 #peak 2825 74 ASN HB2 74 ASN HB3 3.98 #peak 2829 74 ASN HB3 74 ASN HB2 3.95 #peak 2832 75 ASN HB3 75 ASN HD22 5.10 #peak 2837 75 ASN HB3 75 ASN HD21 4.10 #peak 2838 75 ASN HB2 75 ASN HD22 5.50 #peak 2840 75 ASN HB2 75 ASN HD21 3.95 #peak 2842 70 PHE QD 74 ASN HB3 7.62 #peak 2845 70 PHE QD 74 ASN HB2 7.62 #peak 2848 76 LEU HB3 76 LEU HG 5.38 #peak 2851 71 VAL HA 76 LEU HG 4.54 #peak 2853 76 LEU HA 76 LEU HG 5.50 #peak 2883 76 LEU HB2 76 LEU HG 5.47 #peak 2884 76 LEU HB3 76 LEU HG 5.44 #peak 2885 70 PHE QE 76 LEU HG 7.62 #peak 2892 76 LEU HN 76 LEU HG 4.38 #peak 2893 77 GLU- HN 77 GLU- QG 6.38 #peak 2911 77 GLU- QG 78 ASP- HN 6.31 #peak 2912 77 GLU- HA 77 GLU- QG 5.94 #peak 2913 77 GLU- HB2 80 LYS+ QG 6.38 #peak 2921 77 GLU- HB3 77 GLU- QG 4.18 #peak 2922 77 GLU- QG 80 LYS+ QG 7.25 #peak 2923 77 GLU- QG 80 LYS+ QG 7.25 #peak 2929 80 LYS+ HA 80 LYS+ QG 6.38 #peak 2931 77 GLU- HN 80 LYS+ QG 6.38 #peak 2932 80 LYS+ HN 80 LYS+ QG 6.38 #peak 2933 80 LYS+ QG 81 TYR HN 6.38 #peak 2934 82 LEU HB2 82 LEU HG 5.16 #peak 2936 82 LEU HB3 82 LEU HG 5.13 #peak 2940 82 LEU HB3 82 LEU HG 3.42 #peak 2942 82 LEU HA 82 LEU HG 5.34 #peak 2946 56 LYS+ HB2 56 LYS+ HG3 3.17 #peak 2961 56 LYS+ HG3 56 LYS+ HE2 4.54 #peak 2964 82 LEU HN 82 LEU HG 4.35 #peak 2974 56 LYS+ HN 56 LYS+ HG3 4.60 #peak 2987 83 GLN HG2 83 GLN HE22 5.50 #peak 2991 83 GLN HG2 83 GLN HE21 5.50 #peak 2992 84 PHE QD 84 PHE HB2 7.62 #peak 2995 84 PHE HB2 92 PHE QD 7.62 #peak 2996 9 PHE HN 84 PHE HB2 5.50 #peak 2997 84 PHE QD 84 PHE HB3 7.59 #peak 2999 84 PHE HB3 92 PHE QD 7.62 #peak 3000 33 PRO HG3 33 PRO HB3 2.99 #peak 3003 85 ILE HB 85 ILE HG12 5.16 #peak 3007 85 ILE HB 85 ILE HG13 4.01 #peak 3015 85 ILE HB 85 ILE HG12 3.76 #peak 3016 85 ILE HG12 85 ILE HG13 3.33 #peak 3017 85 ILE HA 85 ILE HG13 5.28 #peak 3018 85 ILE HA 85 ILE HG12 5.31 #peak 3019 85 ILE HN 85 ILE HG12 4.63 #peak 3031 85 ILE HN 85 ILE HG13 4.88 #peak 3032 88 ARG+ QB 88 ARG+ HG2 6.38 #peak 3035 88 ARG+ QB 88 ARG+ HG3 6.38 #peak 3036 88 ARG+ HG3 88 ARG+ HG2 3.58 #peak 3037 88 ARG+ QB 88 ARG+ HG2 6.22 #peak 3040 88 ARG+ HA 88 ARG+ HG2 4.79 #peak 3041 88 ARG+ QB 88 ARG+ HG3 6.10 #peak 3043 88 ARG+ HG3 88 ARG+ HD3 4.69 #peak 3044 88 ARG+ HA 88 ARG+ HG3 5.19 #peak 3045 88 ARG+ HG3 88 ARG+ HD2 5.07 #peak 3046 88 ARG+ HG2 88 ARG+ HD3 4.38 #peak 3047 88 ARG+ HG2 88 ARG+ HD2 5.28 #peak 3048 88 ARG+ HA 88 ARG+ HD2 3.14 #peak 3049 88 ARG+ HD3 88 ARG+ HD2 2.77 #peak 3050 88 ARG+ HD2 88 ARG+ HD3 2.74 #peak 3051 88 ARG+ QB 88 ARG+ HD3 5.51 #peak 3052 88 ARG+ HG2 88 ARG+ HD3 4.10 #peak 3053 88 ARG+ HG3 88 ARG+ HD3 3.86 #peak 3054 88 ARG+ QB 88 ARG+ HD2 5.11 #peak 3055 88 ARG+ HG2 88 ARG+ HD2 4.07 #peak 3057 88 ARG+ HG3 88 ARG+ HD2 3.48 #peak 3058 88 ARG+ HD2 89 ASP- HN 5.41 #peak 3065 90 ARG+ HB2 90 ARG+ QG 6.38 #peak 3074 90 ARG+ QG 90 ARG+ HD2 6.38 #peak 3075 90 ARG+ QG 90 ARG+ HD3 6.38 #peak 3076 90 ARG+ HD3 90 ARG+ HD2 3.48 #peak 3077 90 ARG+ HB3 90 ARG+ HD2 5.07 #peak 3079 90 ARG+ QG 90 ARG+ HD2 5.91 #peak 3080 90 ARG+ HN 90 ARG+ QG 6.38 #peak 3083 90 ARG+ HD2 90 ARG+ HE 5.13 #peak 3084 42 LEU HA 92 PHE HB3 5.50 #peak 3106 92 PHE QD 92 PHE HB3 7.62 #peak 3107 42 LEU HA 92 PHE HB2 5.50 #peak 3110 92 PHE QD 92 PHE HB2 7.62 #peak 3111 85 ILE HB 93 TYR HB3 4.88 #peak 3114 85 ILE HB 93 TYR HB2 4.79 #peak 3117 43 LEU HB2 93 TYR HA 5.31 #peak 3120 93 TYR QE 93 TYR HB3 7.63 #peak 3121 93 TYR QD 93 TYR HB3 7.64 #peak 3122 85 ILE HN 93 TYR HB3 4.82 #peak 3124 93 TYR QD 93 TYR HB2 7.64 #peak 3125 85 ILE HN 93 TYR HB2 5.22 #peak 3126 84 PHE QE 94 VAL HB 7.62 #peak 3132 95 ILE HA 95 ILE HG13 4.85 #peak 3156 95 ILE HB 95 ILE HG12 4.82 #peak 3160 95 ILE HB 95 ILE HG13 5.13 #peak 3161 83 GLN HG2 95 ILE HB 5.50 #peak 3165 83 GLN HB3 95 ILE HB 5.31 #peak 3166 83 GLN HB2 95 ILE HB 4.69 #peak 3167 95 ILE HG13 95 ILE HG12 2.96 #peak 3177 95 ILE HG12 95 ILE HG13 2.99 #peak 3188 95 ILE HB 95 ILE HG13 4.72 #peak 3190 95 ILE HA 95 ILE HG13 5.07 #peak 3197 95 ILE HA 95 ILE HG12 4.69 #peak 3198 95 ILE HN 95 ILE HG12 4.97 #peak 3211 45 TYR QE 95 ILE HG13 7.63 #peak 3212 95 ILE HN 95 ILE HG13 5.50 #peak 3213 96 ILE HB 96 ILE QG1 5.26 #peak 3225 96 ILE HB 96 ILE QG1 5.11 #peak 3243 96 ILE HA 96 ILE QG1 6.38 #peak 3244 96 ILE HN 96 ILE QG1 6.38 #peak 3257 97 TYR QD 97 TYR HB2 7.64 #peak 3258 46 SER HB2 46 SER HB3 3.14 #peak 3274 46 SER HB3 46 SER HB2 2.99 #peak 3275 37 PRO HG2 37 PRO HG3 2.96 #peak 3283 33 PRO HD3 33 PRO HG3 4.85 #peak 3295 33 PRO HD2 33 PRO HG3 5.22 #peak 3296 33 PRO HG3 56 LYS+ HE2 5.50 #peak 3302 37 PRO HD3 37 PRO HD2 4.17 #peak 3303 90 ARG+ HB3 90 ARG+ QG 5.69 #peak 3319 90 ARG+ HB2 90 ARG+ QG 6.38 #peak 3321 90 ARG+ HB2 90 ARG+ HD3 5.50 #peak 3322 37 PRO HD2 37 PRO HG2 3.89 #peak 3328 37 PRO HD2 37 PRO HG3 4.32 #peak 3329 36 PHE HB2 36 PHE HB3 2.59 #peak 3335 36 PHE QD 36 PHE HB2 7.09 #peak 3338 36 PHE HB2 37 PRO HD2 5.10 #peak 3340 36 PHE HB2 37 PRO HD3 4.79 #peak 3341 36 PHE HB3 37 PRO HD2 5.50 #peak 3342 36 PHE QD 36 PHE HB3 7.06 #peak 3344 36 PHE HB3 37 PRO HD3 5.50 #peak 3345 33 PRO HD2 33 PRO HG2 4.66 #peak 3355 33 PRO HG3 33 PRO HG2 3.14 #peak 3356 33 PRO HD3 33 PRO HG2 4.07 #peak 3359 36 PHE HB2 56 LYS+ HB3 5.50 #peak 3364 33 PRO HG2 33 PRO HG3 3.24 #peak 3366 33 PRO HB3 33 PRO HB2 3.14 #peak 3370 33 PRO HA 33 PRO HG3 5.04 #peak 3378 35 PRO HD3 35 PRO HB2 4.38 #peak 3381 35 PRO HD3 35 PRO QG 4.21 #peak 3382 85 ILE HB 93 TYR HB3 5.34 #peak 3384 85 ILE HB 93 TYR HB2 4.94 #peak 3385 43 LEU HB2 93 TYR HA 5.50 #peak 3390 2 ALA QB 2 ALA HA 3.99 #peak 27 2 ALA HA 2 ALA QB 4.11 #peak 28 4 THR HA 4 THR QG2 4.08 #peak 36 4 THR QG2 4 THR HB 3.61 #peak 39 4 THR HB 4 THR QG2 3.43 #peak 40 4 THR HB 4 THR QG2 3.43 #peak 41 7 VAL HA 7 VAL QG1 4.73 #peak 55 7 VAL HA 7 VAL QG2 6.19 #peak 56 7 VAL QG1 7 VAL HB 4.33 #peak 59 7 VAL QG2 7 VAL HB 4.48 #peak 60 7 VAL HA 7 VAL QG1 4.23 #peak 61 7 VAL HB 7 VAL QG1 3.99 #peak 62 7 VAL QG2 7 VAL QG1 5.42 #peak 64 7 VAL HA 7 VAL QG2 5.07 #peak 65 7 VAL HB 7 VAL QG2 4.33 #peak 66 7 VAL QG1 7 VAL QG2 5.60 #peak 67 14 ILE HA 14 ILE QG2 5.04 #peak 150 14 ILE HA 14 ILE QD1 5.41 #peak 153 14 ILE QG2 14 ILE HB 4.79 #peak 156 14 ILE HB 14 ILE QD1 5.35 #peak 159 14 ILE HA 14 ILE QG2 4.33 #peak 160 14 ILE HB 14 ILE QG2 3.80 #peak 161 14 ILE QG2 14 ILE HG12 4.05 #peak 163 14 ILE QG2 14 ILE HG13 4.14 #peak 164 14 ILE QG2 14 ILE QD1 5.01 #peak 165 14 ILE QG2 14 ILE HG12 4.73 #peak 168 14 ILE QD1 14 ILE HG12 4.39 #peak 171 14 ILE QG2 14 ILE HG13 4.82 #peak 174 14 ILE QD1 14 ILE HG13 4.45 #peak 177 14 ILE HA 14 ILE QD1 4.64 #peak 178 14 ILE HB 14 ILE QD1 4.05 #peak 179 14 ILE QG2 14 ILE QD1 6.59 #peak 180 14 ILE HG12 14 ILE QD1 3.71 #peak 181 14 ILE HG13 14 ILE QD1 3.83 #peak 182 22 LEU QD1 22 LEU HG 5.16 #peak 650 22 LEU HG 22 LEU QD2 3.43 #peak 654 22 LEU QD1 22 LEU QD2 5.14 #peak 655 22 LEU HB3 22 LEU QD2 4.61 #peak 656 22 LEU HB2 22 LEU QD2 3.43 #peak 657 22 LEU QD2 22 LEU QD1 5.97 #peak 658 22 LEU HG 22 LEU QD1 4.42 #peak 659 22 LEU HB3 22 LEU QD1 5.16 #peak 660 22 LEU HB3 22 LEU QD2 5.50 #peak 661 22 LEU HB3 22 LEU QD1 5.54 #peak 662 22 LEU HB2 22 LEU QD2 5.75 #peak 664 22 LEU HB2 22 LEU QD1 5.75 #peak 665 22 LEU HA 22 LEU QD2 5.41 #peak 667 22 LEU HA 22 LEU QD1 6.53 #peak 668 22 LEU QD2 22 LEU HG 4.54 #peak 670 22 LEU HA 22 LEU QD2 4.30 #peak 672 22 LEU HA 22 LEU QD1 5.04 #peak 673 26 LEU HA 26 LEU QD1 4.48 #peak 690 40 VAL HB 40 VAL QG1 4.33 #peak 755 61 VAL HA 61 VAL QG1 5.29 #peak 871 61 VAL HA 61 VAL QG2 5.44 #peak 873 63 LEU HA 63 LEU QD2 6.53 #peak 893 65 VAL HA 65 VAL QG1 4.57 #peak 901 65 VAL HA 65 VAL QG2 4.57 #peak 902 71 VAL HA 71 VAL QG1 4.92 #peak 926 71 VAL HA 71 VAL QG2 5.07 #peak 927 91 THR HA 91 THR QG2 5.10 #peak 977 24 ILE QG2 24 ILE QD1 5.45 #peak 1086 24 ILE HG13 24 ILE QD1 3.80 #peak 1091 24 ILE HG12 24 ILE QD1 4.23 #peak 1092 24 ILE HB 24 ILE QD1 4.36 #peak 1096 24 ILE HA 24 ILE QD1 4.82 #peak 1102 34 ALA HN 34 ALA QB 4.08 #peak 1475 34 ALA HA 34 ALA QB 3.61 #peak 1477 34 ALA QB 35 PRO HD3 6.28 #peak 1478 2 ALA HN 2 ALA QB 5.54 #peak 1485 39 THR HB 39 THR QG2 4.67 #peak 1499 39 THR QG2 53 ARG+ HA 4.45 #peak 1500 39 THR HA 39 THR QG2 4.95 #peak 1501 39 THR HN 39 THR QG2 6.19 #peak 1502 39 THR QG2 40 VAL HN 5.57 #peak 1504 52 VAL QG2 66 GLY HA2 6.53 #peak 1511 7 VAL QG2 88 ARG+ HG2 5.94 #peak 1514 7 VAL QG2 88 ARG+ HG3 6.16 #peak 1515 8 GLN HA 85 ILE QG2 6.22 #peak 1516 8 GLN HB2 85 ILE QG2 6.22 #peak 1517 7 VAL QG2 88 ARG+ HA 5.63 #peak 1521 7 VAL QG2 86 TYR HB3 5.16 #peak 1522 7 VAL QG1 86 TYR HB3 5.60 #peak 1523 7 VAL QG2 31 TYR QD 8.17 #peak 1537 7 VAL QG2 31 TYR QE 8.66 #peak 1538 7 VAL HN 7 VAL QG2 4.70 #peak 1541 7 VAL QG2 8 GLN HN 5.78 #peak 1542 7 VAL QG1 31 TYR QD 8.08 #peak 1543 7 VAL QG1 31 TYR QE 8.38 #peak 1544 7 VAL HN 7 VAL QG1 5.23 #peak 1547 7 VAL QG1 8 GLN HN 4.95 #peak 1548 10 MET HG2 10 MET QE 5.16 #peak 1577 8 GLN HB3 85 ILE QG2 5.97 #peak 1578 8 GLN QG 85 ILE QG2 7.40 #peak 1579 10 MET QB 10 MET QE 7.00 #peak 1582 10 MET HG3 10 MET QE 5.19 #peak 1583 10 MET QB 10 MET QE 6.04 #peak 1584 10 MET HG2 10 MET QE 4.85 #peak 1585 10 MET HG3 10 MET QE 4.85 #peak 1586 10 MET QE 83 GLN HA 6.47 #peak 1588 10 MET QE 97 TYR QE 8.07 #peak 1590 11 LYS+ HB2 82 LEU QD1 6.16 #peak 1595 13 PHE HA 82 LEU QD1 6.28 #peak 1618 13 PHE HB3 82 LEU QD1 6.37 #peak 1627 8 GLN HB3 85 ILE QG2 4.70 #peak 1634 14 ILE QG2 78 ASP- QB 7.40 #peak 1635 14 ILE QG2 17 LYS+ QE 7.40 #peak 1636 14 ILE QG2 17 LYS+ HA 5.66 #peak 1638 85 ILE HA 85 ILE QG2 5.26 #peak 1639 14 ILE QG2 17 LYS+ HN 4.33 #peak 1640 14 ILE HN 14 ILE QG2 5.23 #peak 1641 14 ILE QG2 18 SER HN 5.72 #peak 1642 14 ILE QG2 16 GLU- HN 4.98 #peak 1643 14 ILE QG2 15 SER HN 4.88 #peak 1644 63 LEU QD1 63 LEU HG 5.47 #peak 1645 63 LEU QD2 63 LEU HG 5.66 #peak 1646 14 ILE QD1 78 ASP- QB 7.40 #peak 1650 14 ILE QD1 17 LYS+ QE 7.25 #peak 1651 14 ILE QD1 17 LYS+ HN 5.88 #peak 1653 14 ILE HN 14 ILE QD1 5.29 #peak 1654 14 ILE QD1 15 SER HN 5.75 #peak 1657 68 GLU- HA 71 VAL QG2 6.00 #peak 1659 26 LEU QD2 59 GLU- QG 6.04 #peak 1676 22 LEU QD1 82 LEU QD1 7.09 #peak 1742 11 LYS+ QD 22 LEU QD1 6.47 #peak 1743 11 LYS+ QE 22 LEU QD1 7.34 #peak 1744 22 LEU QD2 82 LEU QD1 5.79 #peak 1748 11 LYS+ QD 22 LEU QD2 5.73 #peak 1749 11 LYS+ QE 22 LEU QD2 6.35 #peak 1753 22 LEU QD1 67 TRP HZ3 5.35 #peak 1761 22 LEU QD1 67 TRP HZ2 5.69 #peak 1764 22 LEU HN 22 LEU QD1 6.53 #peak 1765 22 LEU QD1 23 GLU- HN 6.53 #peak 1766 22 LEU QD2 67 TRP HZ3 5.44 #peak 1770 22 LEU QD2 84 PHE QE 8.65 #peak 1771 22 LEU QD2 67 TRP HZ2 4.82 #peak 1773 54 MET HN 63 LEU QD2 5.72 #peak 1775 22 LEU QD2 67 TRP HE1 6.53 #peak 1779 22 LEU QD2 23 GLU- HN 5.16 #peak 1789 24 ILE HA 24 ILE QD1 5.78 #peak 1799 24 ILE HB 24 ILE QD1 5.94 #peak 1800 24 ILE QG2 25 PRO HD3 4.05 #peak 1805 24 ILE QG2 25 PRO HD2 4.85 #peak 1806 24 ILE QG2 28 PHE HB2 4.76 #peak 1807 24 ILE HA 24 ILE QG2 5.16 #peak 1808 24 ILE QG2 24 ILE HG12 4.85 #peak 1810 24 ILE QD1 24 ILE HG12 4.88 #peak 1811 24 ILE QD1 24 ILE HG13 4.95 #peak 1812 24 ILE QG2 24 ILE HG13 4.88 #peak 1813 24 ILE QD1 25 PRO HD2 5.81 #peak 1819 24 ILE QD1 63 LEU HG 4.57 #peak 1820 9 PHE QE 24 ILE QG2 8.65 #peak 1822 24 ILE QG2 32 PHE QD 8.65 #peak 1824 24 ILE QG2 28 PHE HN 6.53 #peak 1825 24 ILE HN 24 ILE QG2 6.00 #peak 1826 9 PHE QE 24 ILE QD1 7.63 #peak 1831 24 ILE QD1 32 PHE QE 6.79 #peak 1833 24 ILE HN 24 ILE QD1 5.81 #peak 1834 24 ILE QD1 63 LEU HN 5.97 #peak 1835 19 SER HA 71 VAL QG2 6.53 #peak 1850 24 ILE QG2 25 PRO HD3 5.26 #peak 1851 24 ILE QG2 25 PRO HD2 5.41 #peak 1855 24 ILE QD1 25 PRO HD2 6.53 #peak 1856 24 ILE QD1 25 PRO HD3 6.53 #peak 1857 26 LEU QB 26 LEU QD1 5.64 #peak 1866 26 LEU QB 26 LEU QD1 5.17 #peak 1869 26 LEU HG 26 LEU QD1 3.80 #peak 1870 26 LEU QD1 59 GLU- HB2 4.98 #peak 1871 26 LEU QD1 60 LYS+ HE3 4.98 #peak 1873 26 LEU HA 26 LEU QD1 4.23 #peak 1874 26 LEU QD1 60 LYS+ HA 5.44 #peak 1875 26 LEU QD1 29 ASN HD22 5.69 #peak 1882 26 LEU QD1 29 ASN HD21 5.41 #peak 1883 26 LEU QD1 60 LYS+ HN 5.88 #peak 1884 26 LEU HN 26 LEU QD1 5.23 #peak 1885 26 LEU QD1 27 GLY HN 6.34 #peak 1886 24 ILE QG2 28 PHE HB3 6.12 #peak 1904 24 ILE QG2 28 PHE HB2 6.00 #peak 1905 7 VAL QG1 31 TYR HB2 6.53 #peak 1923 34 ALA QB 35 PRO HD3 6.40 #peak 1946 34 ALA QB 35 PRO HD2 6.53 #peak 1952 37 PRO HD3 54 MET QE 6.22 #peak 1957 37 PRO HD2 54 MET QE 6.53 #peak 1969 37 PRO HB2 54 MET QE 5.91 #peak 2007 37 PRO HB2 40 VAL QG1 5.75 #peak 2008 37 PRO HB3 54 MET QE 5.23 #peak 2010 37 PRO HB3 40 VAL QG1 5.47 #peak 2011 37 PRO HG2 54 MET QE 5.47 #peak 2015 37 PRO HG2 40 VAL QG1 5.81 #peak 2016 38 ILE QG2 38 ILE HB 4.26 #peak 2036 38 ILE HB 38 ILE QD1 4.64 #peak 2037 38 ILE QG2 38 ILE QD1 4.46 #peak 2038 38 ILE HA 38 ILE QD1 5.13 #peak 2043 38 ILE QG2 38 ILE HG12 4.61 #peak 2045 38 ILE QD1 38 ILE HG12 4.30 #peak 2046 38 ILE QG2 38 ILE HG13 4.64 #peak 2048 38 ILE QD1 38 ILE HG13 4.39 #peak 2049 38 ILE HG13 38 ILE QD1 4.05 #peak 2052 38 ILE QD1 55 LYS+ QG 5.51 #peak 2053 38 ILE HG12 38 ILE QD1 3.83 #peak 2054 38 ILE HB 38 ILE QD1 4.30 #peak 2055 38 ILE HA 38 ILE QD1 4.79 #peak 2056 38 ILE QG2 38 ILE HG13 4.11 #peak 2060 38 ILE QG2 38 ILE HG12 4.14 #peak 2061 38 ILE HB 38 ILE QG2 3.71 #peak 2062 38 ILE HA 38 ILE QG2 4.02 #peak 2065 38 ILE QD1 55 LYS+ HA 6.22 #peak 2068 39 THR QG2 39 THR HB 4.67 #peak 2071 39 THR HA 39 THR QG2 5.13 #peak 2073 38 ILE QD1 39 THR HN 6.34 #peak 2080 38 ILE HN 38 ILE QD1 5.35 #peak 2081 38 ILE QG2 39 THR HN 5.16 #peak 2087 38 ILE HN 38 ILE QG2 4.73 #peak 2088 39 THR QG2 53 ARG+ QD 7.40 #peak 2095 39 THR HB 39 THR QG2 4.42 #peak 2096 39 THR QG2 53 ARG+ HA 4.42 #peak 2097 39 THR HA 39 THR QG2 4.67 #peak 2099 39 THR QG2 40 VAL HN 5.19 #peak 2100 40 VAL QG2 40 VAL QG1 5.63 #peak 2101 40 VAL QG1 54 MET QB 5.79 #peak 2102 37 PRO HG2 40 VAL QG1 4.82 #peak 2103 40 VAL QG1 90 ARG+ HB2 4.76 #peak 2104 40 VAL QG2 52 VAL HB 4.61 #peak 2106 40 VAL HB 40 VAL QG2 4.48 #peak 2107 40 VAL HA 40 VAL QG2 5.50 #peak 2108 40 VAL HA 40 VAL QG1 4.64 #peak 2113 40 VAL HA 40 VAL QG1 5.16 #peak 2115 40 VAL HA 40 VAL QG2 5.78 #peak 2116 40 VAL QG1 40 VAL HB 4.42 #peak 2117 40 VAL QG2 40 VAL HB 4.61 #peak 2118 41 ASP- HB2 91 THR QG2 6.16 #peak 2122 41 ASP- HB3 91 THR QG2 5.88 #peak 2126 40 VAL QG1 90 ARG+ HE 4.95 #peak 2133 40 VAL QG1 41 ASP- HN 5.41 #peak 2134 40 VAL HN 40 VAL QG1 5.75 #peak 2135 40 VAL QG2 92 PHE QD 7.94 #peak 2137 40 VAL QG2 41 ASP- HN 5.54 #peak 2138 40 VAL HN 40 VAL QG2 4.64 #peak 2139 40 VAL QG2 52 VAL HN 5.69 #peak 2140 42 LEU HA 42 LEU QD1 5.41 #peak 2150 42 LEU HA 42 LEU QD2 5.04 #peak 2152 42 LEU HB2 42 LEU QD2 5.35 #peak 2154 42 LEU HB2 94 VAL QG2 6.25 #peak 2155 42 LEU HB2 42 LEU QD1 5.26 #peak 2156 42 LEU HB3 94 VAL QG2 5.97 #peak 2157 42 LEU HB3 42 LEU QD2 5.35 #peak 2158 42 LEU HB3 42 LEU QD1 5.26 #peak 2159 42 LEU QD1 94 VAL QG2 6.47 #peak 2164 42 LEU QD1 52 VAL QG2 6.47 #peak 2166 42 LEU QD1 52 VAL QG1 7.12 #peak 2167 42 LEU HB3 42 LEU QD1 5.04 #peak 2168 42 LEU HG 42 LEU QD1 4.82 #peak 2169 42 LEU QD1 52 VAL HB 5.81 #peak 2171 42 LEU HB2 42 LEU QD1 5.29 #peak 2172 42 LEU QD2 94 VAL QG2 5.88 #peak 2174 42 LEU QD2 52 VAL QG2 6.50 #peak 2176 42 LEU HB3 42 LEU QD2 4.92 #peak 2177 42 LEU HG 42 LEU QD2 4.26 #peak 2178 42 LEU HB2 42 LEU QD2 5.16 #peak 2179 42 LEU QD2 92 PHE HB3 4.98 #peak 2180 42 LEU QD2 92 PHE HB2 4.61 #peak 2181 42 LEU HA 42 LEU QD2 4.54 #peak 2182 42 LEU QD1 92 PHE HB2 6.53 #peak 2183 42 LEU HA 42 LEU QD1 5.75 #peak 2185 43 LEU HA 43 LEU QD2 6.22 #peak 2187 42 LEU QD1 67 TRP HZ3 5.07 #peak 2196 42 LEU QD1 84 PHE QE 8.65 #peak 2197 42 LEU QD1 67 TRP HH2 6.22 #peak 2198 42 LEU QD1 67 TRP HE3 4.88 #peak 2199 42 LEU QD2 67 TRP HZ3 5.16 #peak 2200 42 LEU QD2 84 PHE QE 7.81 #peak 2201 42 LEU QD2 93 TYR QD 8.67 #peak 2202 42 LEU QD2 67 TRP HE3 5.16 #peak 2203 42 LEU QD2 92 PHE QD 7.72 #peak 2204 42 LEU QD2 43 LEU HN 5.69 #peak 2205 42 LEU QD2 93 TYR HN 5.13 #peak 2206 42 LEU QD2 92 PHE HN 5.13 #peak 2207 42 LEU HN 42 LEU QD1 5.97 #peak 2208 42 LEU HG 94 VAL QG2 6.19 #peak 2214 42 LEU QD1 42 LEU HG 4.64 #peak 2215 39 THR QG2 53 ARG+ HG2 4.45 #peak 2218 43 LEU HB2 43 LEU QD2 5.35 #peak 2223 43 LEU HB2 43 LEU QD1 5.32 #peak 2224 43 LEU QD2 43 LEU HG 4.42 #peak 2226 43 LEU QD1 43 LEU HG 4.67 #peak 2227 43 LEU HB3 43 LEU QD2 5.57 #peak 2228 43 LEU HB3 43 LEU QD1 5.41 #peak 2229 43 LEU HG 43 LEU QD1 3.74 #peak 2235 43 LEU QD1 49 SER QB 6.10 #peak 2237 43 LEU HA 43 LEU QD1 4.98 #peak 2240 43 LEU QD1 43 LEU QD2 5.60 #peak 2241 43 LEU QD2 43 LEU QD1 4.80 #peak 2242 43 LEU HG 43 LEU QD2 3.64 #peak 2244 43 LEU QD2 49 SER QB 5.20 #peak 2246 43 LEU HA 43 LEU QD2 4.08 #peak 2248 43 LEU QD1 93 TYR QE 8.10 #peak 2249 43 LEU QD1 93 TYR QD 8.54 #peak 2250 43 LEU QD1 44 ASP- HN 5.38 #peak 2251 43 LEU HN 43 LEU QD1 5.26 #peak 2252 43 LEU QD1 92 PHE HN 5.41 #peak 2253 43 LEU QD1 50 TRP HN 6.03 #peak 2254 43 LEU QD2 93 TYR QE 8.26 #peak 2255 43 LEU QD2 93 TYR QD 8.67 #peak 2256 43 LEU QD2 44 ASP- HN 5.23 #peak 2257 43 LEU HN 43 LEU QD2 5.85 #peak 2258 43 LEU QD2 50 TRP HN 5.29 #peak 2260 7 VAL QG1 88 ARG+ HD3 6.53 #peak 2317 7 VAL QG2 88 ARG+ HD3 6.53 #peak 2318 43 LEU QD2 49 SER QB 5.79 #peak 2326 43 LEU QD1 49 SER QB 7.16 #peak 2327 43 LEU QD2 49 SER HA 6.16 #peak 2328 51 THR HA 51 THR QG2 5.60 #peak 2344 51 THR QG2 51 THR HB 4.76 #peak 2346 51 THR HB 51 THR QG2 4.20 #peak 2347 51 THR HA 51 THR QG2 4.73 #peak 2350 41 ASP- HA 51 THR QG2 5.75 #peak 2352 51 THR HN 51 THR QG2 5.47 #peak 2359 40 VAL HN 51 THR QG2 5.50 #peak 2360 51 THR QG2 52 VAL HN 4.51 #peak 2361 40 VAL HN 52 VAL QG2 6.19 #peak 2369 52 VAL QG1 53 ARG+ HN 4.61 #peak 2370 52 VAL QG1 67 TRP HN 5.16 #peak 2372 52 VAL HN 52 VAL QG1 5.88 #peak 2373 52 VAL QG2 53 ARG+ HN 5.29 #peak 2374 52 VAL HN 52 VAL QG2 4.67 #peak 2375 52 VAL QG2 67 TRP HN 5.63 #peak 2376 52 VAL QG2 67 TRP HE3 5.26 #peak 2377 52 VAL QG1 67 TRP HE3 5.35 #peak 2378 52 VAL HA 52 VAL QG1 4.79 #peak 2379 52 VAL QG1 63 LEU HA 5.38 #peak 2380 52 VAL HA 52 VAL QG2 4.54 #peak 2383 52 VAL QG2 66 GLY HA1 5.54 #peak 2384 52 VAL QG1 52 VAL QG2 5.94 #peak 2385 52 VAL QG2 63 LEU QD1 6.44 #peak 2386 42 LEU QD1 52 VAL QG2 5.45 #peak 2387 42 LEU HG 52 VAL QG2 4.70 #peak 2390 52 VAL HB 52 VAL QG2 4.08 #peak 2391 52 VAL QG2 67 TRP HB3 6.53 #peak 2392 52 VAL QG2 66 GLY HA2 6.53 #peak 2394 52 VAL QG2 67 TRP HA 5.41 #peak 2395 52 VAL QG1 67 TRP HA 5.13 #peak 2398 52 VAL QG1 67 TRP HB2 5.38 #peak 2400 52 VAL QG1 67 TRP HB3 5.35 #peak 2401 52 VAL HB 52 VAL QG1 4.33 #peak 2402 42 LEU HG 52 VAL QG1 5.44 #peak 2403 52 VAL QG1 63 LEU QD1 6.87 #peak 2404 52 VAL QG1 63 LEU QD2 6.01 #peak 2405 52 VAL QG2 52 VAL QG1 5.14 #peak 2407 52 VAL HB 63 LEU QD1 6.50 #peak 2408 52 VAL HB 63 LEU QD2 5.66 #peak 2409 52 VAL QG2 52 VAL HB 4.85 #peak 2410 52 VAL QG1 52 VAL HB 4.98 #peak 2411 52 VAL HA 52 VAL QG1 5.10 #peak 2412 52 VAL HA 52 VAL QG2 5.60 #peak 2413 54 MET QE 61 VAL QG1 5.66 #peak 2432 54 MET QE 61 VAL QG2 5.85 #peak 2433 54 MET QB 54 MET QE 4.89 #peak 2435 37 PRO HG2 54 MET QE 4.05 #peak 2436 37 PRO HD3 54 MET QE 4.64 #peak 2438 32 PHE QB 54 MET QE 7.00 #peak 2440 37 PRO HD2 54 MET QE 5.54 #peak 2441 54 MET HA 54 MET QE 6.53 #peak 2445 54 MET HA 63 LEU QD2 5.94 #peak 2451 54 MET HA 64 THR QG2 6.53 #peak 2452 54 MET HA 54 MET QE 6.53 #peak 2453 54 MET QB 54 MET QE 6.97 #peak 2457 24 ILE QG2 24 ILE HB 5.07 #peak 2459 54 MET HG2 54 MET QE 5.29 #peak 2460 54 MET HG3 54 MET QE 4.45 #peak 2461 54 MET HG3 63 LEU QD2 5.29 #peak 2462 54 MET HG2 63 LEU QD2 5.81 #peak 2463 54 MET HG2 61 VAL QG1 5.44 #peak 2464 32 PHE QE 54 MET QE 6.70 #peak 2476 36 PHE QD 54 MET QE 8.12 #peak 2477 32 PHE QD 54 MET QE 8.00 #peak 2478 54 MET HN 54 MET QE 6.53 #peak 2479 54 MET QE 56 LYS+ HN 6.40 #peak 2480 54 MET QE 62 PHE HN 6.53 #peak 2481 54 MET QE 55 LYS+ HN 6.53 #peak 2482 55 LYS+ HB3 64 THR QG2 5.50 #peak 2485 55 LYS+ HB2 64 THR QG2 5.26 #peak 2489 14 ILE QG2 17 LYS+ HG2 4.92 #peak 2492 56 LYS+ HB3 61 VAL QG2 5.47 #peak 2532 56 LYS+ HD3 61 VAL QG2 5.23 #peak 2537 56 LYS+ HD2 61 VAL QG2 5.01 #peak 2543 56 LYS+ HE2 61 VAL QG2 5.04 #peak 2550 56 LYS+ HE3 61 VAL QG2 5.04 #peak 2556 26 LEU QD2 59 GLU- QG 6.29 #peak 2586 26 LEU QD2 59 GLU- HB3 5.04 #peak 2587 26 LEU QD2 59 GLU- HB2 5.41 #peak 2588 61 VAL QG2 61 VAL HB 4.45 #peak 2603 61 VAL QG1 61 VAL HB 4.51 #peak 2604 61 VAL QG1 61 VAL QG2 4.46 #peak 2605 24 ILE QD1 61 VAL QG2 7.40 #peak 2606 24 ILE QD1 61 VAL QG1 6.69 #peak 2608 61 VAL QG2 61 VAL QG1 4.52 #peak 2609 24 ILE HG12 61 VAL QG1 4.54 #peak 2610 54 MET QE 61 VAL QG1 6.66 #peak 2611 54 MET QE 61 VAL QG2 6.53 #peak 2613 61 VAL HB 61 VAL QG2 4.02 #peak 2614 54 MET HG3 61 VAL QG2 6.12 #peak 2615 56 LYS+ HE3 61 VAL QG2 6.09 #peak 2616 56 LYS+ HE2 61 VAL QG2 5.50 #peak 2617 29 ASN QB 61 VAL QG2 7.40 #peak 2618 61 VAL HA 61 VAL QG2 4.23 #peak 2619 55 LYS+ HA 61 VAL QG2 5.78 #peak 2620 56 LYS+ HA 61 VAL QG2 5.16 #peak 2621 61 VAL HB 61 VAL QG1 4.14 #peak 2622 54 MET HG3 61 VAL QG1 4.79 #peak 2623 61 VAL HA 61 VAL QG1 4.61 #peak 2624 56 LYS+ HA 61 VAL QG1 6.00 #peak 2626 29 ASN HD22 61 VAL QG2 6.06 #peak 2627 32 PHE QE 61 VAL QG2 7.32 #peak 2629 29 ASN HD21 61 VAL QG2 5.44 #peak 2630 32 PHE QD 61 VAL QG2 8.40 #peak 2631 61 VAL QG2 62 PHE HN 5.19 #peak 2632 61 VAL HN 61 VAL QG2 4.76 #peak 2633 55 LYS+ HN 61 VAL QG2 5.19 #peak 2634 32 PHE QE 61 VAL QG1 7.41 #peak 2637 32 PHE QD 61 VAL QG1 8.65 #peak 2638 61 VAL QG1 62 PHE HN 4.57 #peak 2639 55 LYS+ HN 61 VAL QG1 5.41 #peak 2640 61 VAL HN 61 VAL QG1 5.75 #peak 2641 63 LEU HB2 63 LEU QD2 6.03 #peak 2654 63 LEU HB2 63 LEU QD1 5.75 #peak 2655 22 LEU HB3 63 LEU QD1 6.12 #peak 2656 63 LEU QD2 63 LEU QD1 5.79 #peak 2657 63 LEU HG 63 LEU QD1 4.33 #peak 2658 54 MET HG3 63 LEU QD1 6.53 #peak 2660 63 LEU HA 63 LEU QD1 6.53 #peak 2661 52 VAL HA 63 LEU QD1 6.53 #peak 2662 52 VAL QG1 63 LEU HB3 6.53 #peak 2663 63 LEU HB3 63 LEU QD2 5.72 #peak 2664 63 LEU HB3 63 LEU QD1 5.72 #peak 2665 63 LEU QD1 63 LEU HG 4.73 #peak 2667 63 LEU QD2 63 LEU HG 5.10 #peak 2668 52 VAL QG1 63 LEU HG 4.14 #peak 2669 63 LEU QD1 67 TRP HZ3 6.28 #peak 2670 63 LEU QD1 67 TRP HE3 5.50 #peak 2673 22 LEU HN 63 LEU QD1 6.53 #peak 2674 63 LEU HN 63 LEU QD1 6.53 #peak 2675 54 MET HG3 63 LEU QD2 4.20 #peak 2679 63 LEU QD1 63 LEU QD2 4.92 #peak 2681 22 LEU HB3 22 LEU QD2 4.54 #peak 2684 63 LEU HA 63 LEU QD2 4.26 #peak 2686 54 MET HA 63 LEU QD2 5.07 #peak 2687 55 LYS+ HN 63 LEU QD2 6.53 #peak 2688 63 LEU QD2 64 THR HN 4.82 #peak 2689 63 LEU HN 63 LEU QD2 4.95 #peak 2690 55 LYS+ HD3 64 THR QG2 4.61 #peak 2691 21 SER HB3 64 THR QG2 5.50 #peak 2693 64 THR HB 64 THR QG2 4.73 #peak 2694 64 THR HA 64 THR QG2 4.42 #peak 2695 54 MET HN 64 THR QG2 6.53 #peak 2699 64 THR HN 64 THR QG2 5.44 #peak 2700 64 THR QG2 65 VAL HN 5.50 #peak 2701 55 LYS+ HN 64 THR QG2 6.22 #peak 2702 65 VAL HB 65 VAL QG2 3.99 #peak 2705 65 VAL HB 65 VAL QG1 3.99 #peak 2706 65 VAL HA 65 VAL QG2 4.33 #peak 2707 65 VAL HA 65 VAL QG1 4.51 #peak 2708 65 VAL QG2 65 VAL QG1 4.46 #peak 2709 65 VAL QG1 65 VAL QG2 4.46 #peak 2710 65 VAL HN 65 VAL QG1 4.26 #peak 2718 65 VAL QG1 66 GLY HN 6.28 #peak 2719 65 VAL HN 65 VAL QG2 5.35 #peak 2720 65 VAL QG2 66 GLY HN 4.95 #peak 2722 68 GLU- QB 71 VAL QG2 7.40 #peak 2733 71 VAL QG2 71 VAL QG1 5.97 #peak 2774 71 VAL QG1 71 VAL QG2 5.51 #peak 2775 71 VAL QG2 76 LEU HB3 5.01 #peak 2776 71 VAL HB 71 VAL QG2 4.08 #peak 2777 71 VAL HA 71 VAL QG2 4.57 #peak 2778 68 GLU- QB 71 VAL QG2 7.40 #peak 2779 71 VAL HB 71 VAL QG1 4.48 #peak 2782 71 VAL HA 71 VAL QG1 4.70 #peak 2783 68 GLU- QB 71 VAL QG1 7.40 #peak 2784 68 GLU- HA 71 VAL QG1 5.07 #peak 2785 68 GLU- HA 71 VAL QG2 5.47 #peak 2788 19 SER HA 71 VAL QG2 5.85 #peak 2790 71 VAL QG2 77 GLU- HN 6.53 #peak 2792 71 VAL HN 71 VAL QG2 4.48 #peak 2799 71 VAL HN 71 VAL QG1 4.39 #peak 2800 71 VAL QG1 72 LYS+ HN 5.57 #peak 2801 71 VAL QG2 72 LYS+ HN 4.88 #peak 2802 67 TRP HE1 71 VAL QG2 6.53 #peak 2803 67 TRP HE1 71 VAL QG1 5.04 #peak 2804 71 VAL QG1 71 VAL HB 5.07 #peak 2806 71 VAL QG2 71 VAL HB 5.01 #peak 2807 74 ASN HB3 96 ILE QD1 6.53 #peak 2830 74 ASN HB2 96 ILE QD1 5.81 #peak 2834 76 LEU QD1 76 LEU HG 3.89 #peak 2852 76 LEU HB3 76 LEU QD1 5.29 #peak 2854 76 LEU HB2 76 LEU QD1 5.44 #peak 2855 76 LEU HA 76 LEU QD2 5.01 #peak 2856 76 LEU HB3 76 LEU QD1 4.82 #peak 2859 76 LEU HB3 76 LEU QD2 4.92 #peak 2861 76 LEU QD2 96 ILE QG2 5.60 #peak 2863 76 LEU QD2 82 LEU QD2 5.76 #peak 2864 76 LEU QD2 96 ILE QD1 5.70 #peak 2865 76 LEU QD2 82 LEU QD1 7.56 #peak 2866 76 LEU QD2 80 LYS+ QG 6.04 #peak 2867 76 LEU QD2 82 LEU HG 5.01 #peak 2868 71 VAL HA 76 LEU QD2 5.69 #peak 2870 76 LEU HA 76 LEU QD2 4.26 #peak 2872 76 LEU QD1 96 ILE QD1 6.75 #peak 2873 71 VAL QG2 76 LEU QD1 5.97 #peak 2874 76 LEU QD1 82 LEU QD2 5.63 #peak 2875 76 LEU QD1 82 LEU QD1 7.28 #peak 2876 76 LEU QD1 80 LYS+ QG 7.40 #peak 2878 71 VAL HA 76 LEU QD1 4.57 #peak 2881 76 LEU HA 76 LEU QD1 5.85 #peak 2882 70 PHE QD 76 LEU QD1 8.56 #peak 2894 70 PHE QE 76 LEU QD1 7.78 #peak 2895 76 LEU HN 76 LEU QD1 4.92 #peak 2899 76 LEU QD2 77 GLU- HN 4.57 #peak 2901 76 LEU HN 76 LEU QD2 5.26 #peak 2904 76 LEU QD2 80 LYS+ QG 7.40 #peak 2928 82 LEU HB2 82 LEU QD2 6.50 #peak 2937 22 LEU QD1 82 LEU HB2 6.53 #peak 2938 82 LEU HB3 82 LEU QD2 5.94 #peak 2939 82 LEU QD2 82 LEU HG 4.54 #peak 2943 22 LEU QD1 82 LEU HG 5.91 #peak 2944 22 LEU QD1 82 LEU HB3 6.34 #peak 2945 22 LEU QD1 82 LEU QD1 6.35 #peak 2947 82 LEU QD2 82 LEU QD1 5.91 #peak 2949 22 LEU QD2 82 LEU QD1 6.69 #peak 2950 82 LEU HG 82 LEU QD1 4.42 #peak 2951 82 LEU HB2 82 LEU QD1 4.61 #peak 2952 13 PHE HB3 82 LEU QD1 5.35 #peak 2953 13 PHE HB2 82 LEU QD1 6.53 #peak 2954 13 PHE HA 82 LEU QD1 6.00 #peak 2955 76 LEU QD1 82 LEU QD2 5.82 #peak 2959 82 LEU QD1 82 LEU QD2 5.39 #peak 2960 82 LEU HG 82 LEU QD2 4.36 #peak 2962 82 LEU HB2 82 LEU QD2 4.98 #peak 2963 82 LEU QD2 96 ILE HA 5.29 #peak 2965 82 LEU HA 82 LEU QD2 4.45 #peak 2967 67 TRP HZ3 82 LEU QD1 6.12 #peak 2976 67 TRP HH2 82 LEU QD1 4.48 #peak 2978 67 TRP HZ2 82 LEU QD1 4.82 #peak 2980 82 LEU HN 82 LEU QD1 5.75 #peak 2981 11 LYS+ HN 82 LEU QD1 6.53 #peak 2982 67 TRP HH2 82 LEU QD2 4.92 #peak 2984 67 TRP HE3 82 LEU QD2 5.66 #peak 2985 67 TRP HZ2 82 LEU QD2 5.69 #peak 2986 82 LEU QD2 83 GLN HN 5.26 #peak 2988 83 GLN HG2 95 ILE QD1 6.53 #peak 3004 85 ILE HB 85 ILE QD1 5.13 #peak 3006 85 ILE QG2 85 ILE HB 5.01 #peak 3008 85 ILE HA 85 ILE QG2 4.42 #peak 3009 8 GLN QG 85 ILE QG2 5.11 #peak 3010 85 ILE QG2 85 ILE HG12 4.54 #peak 3011 85 ILE QG2 85 ILE QD1 4.46 #peak 3020 85 ILE HG13 85 ILE QD1 3.43 #peak 3021 85 ILE HG12 85 ILE QD1 3.92 #peak 3022 85 ILE HB 85 ILE QD1 3.95 #peak 3023 85 ILE HA 85 ILE QD1 5.32 #peak 3025 85 ILE QG2 93 TYR QD 8.67 #peak 3028 85 ILE QG2 86 TYR HN 4.45 #peak 3029 85 ILE HN 85 ILE QD1 4.79 #peak 3034 40 VAL QG1 90 ARG+ HA 5.10 #peak 3072 40 VAL QG1 90 ARG+ HB2 5.91 #peak 3073 91 THR QG2 91 THR HB 4.67 #peak 3088 43 LEU HG 91 THR QG2 4.82 #peak 3090 91 THR HB 91 THR QG2 4.45 #peak 3093 91 THR HA 91 THR QG2 4.61 #peak 3095 43 LEU QD1 91 THR QG2 5.73 #peak 3096 41 ASP- HN 91 THR QG2 6.34 #peak 3101 85 ILE QD1 93 TYR HB3 5.91 #peak 3115 85 ILE QD1 93 TYR HB2 6.53 #peak 3118 93 TYR HA 94 VAL QG2 6.12 #peak 3119 94 VAL HA 94 VAL QG2 4.67 #peak 3137 94 VAL QG2 94 VAL HB 4.17 #peak 3138 42 LEU QD1 94 VAL QG2 6.13 #peak 3139 94 VAL HB 94 VAL QG2 3.92 #peak 3140 42 LEU HB3 94 VAL QG2 4.70 #peak 3141 42 LEU HB2 94 VAL QG2 5.38 #peak 3142 94 VAL HA 94 VAL QG2 4.51 #peak 3145 84 PHE QD 94 VAL QG2 8.34 #peak 3146 67 TRP HE3 94 VAL QG2 6.28 #peak 3149 94 VAL HN 94 VAL QG2 4.88 #peak 3151 43 LEU HN 94 VAL QG2 5.50 #peak 3152 94 VAL QG2 95 ILE HN 4.92 #peak 3153 95 ILE HA 95 ILE QD1 5.78 #peak 3157 95 ILE HA 95 ILE QG2 4.82 #peak 3158 95 ILE HB 95 ILE QD1 5.54 #peak 3162 95 ILE QG2 95 ILE HB 4.95 #peak 3163 95 ILE QG2 95 ILE QD1 6.44 #peak 3170 95 ILE QG2 95 ILE HG13 4.98 #peak 3171 95 ILE QG2 95 ILE HG12 5.23 #peak 3172 95 ILE HB 95 ILE QG2 4.88 #peak 3173 83 GLN HB2 95 ILE QG2 6.53 #peak 3174 95 ILE QD1 95 ILE HG12 4.26 #peak 3178 95 ILE QG2 95 ILE HG12 4.88 #peak 3179 95 ILE QD1 95 ILE HG13 4.23 #peak 3181 95 ILE QG2 95 ILE HG13 4.64 #peak 3182 7 VAL QG1 88 ARG+ HG3 6.43 #peak 3183 95 ILE QG2 95 ILE QD1 5.70 #peak 3184 95 ILE HG13 95 ILE QD1 3.46 #peak 3186 95 ILE HG12 95 ILE QD1 3.89 #peak 3187 95 ILE HB 95 ILE QD1 4.54 #peak 3195 95 ILE HA 95 ILE QD1 5.57 #peak 3196 95 ILE HA 95 ILE QG2 4.88 #peak 3199 95 ILE QG2 96 ILE HN 5.23 #peak 3206 95 ILE HN 95 ILE QG2 6.53 #peak 3207 85 ILE HA 85 ILE QD1 6.25 #peak 3214 45 TYR QD 95 ILE QD1 8.67 #peak 3218 83 GLN HE21 95 ILE QD1 6.12 #peak 3219 95 ILE QD1 96 ILE HN 6.53 #peak 3220 95 ILE HN 95 ILE QD1 5.38 #peak 3221 83 GLN HN 95 ILE QD1 6.53 #peak 3222 96 ILE QG2 96 ILE HB 4.57 #peak 3223 96 ILE HB 96 ILE QD1 4.73 #peak 3224 76 LEU QD2 96 ILE HB 6.16 #peak 3226 96 ILE QG2 96 ILE QD1 5.42 #peak 3228 76 LEU QD2 96 ILE QG2 5.85 #peak 3229 76 LEU QD2 96 ILE QD1 5.63 #peak 3230 96 ILE QG2 96 ILE QD1 5.51 #peak 3231 82 LEU QD2 96 ILE QD1 6.47 #peak 3232 82 LEU QD1 96 ILE QD1 7.56 #peak 3233 74 ASN HB3 96 ILE QD1 5.10 #peak 3234 96 ILE HB 96 ILE QD1 3.71 #peak 3235 74 ASN HB2 96 ILE QD1 4.79 #peak 3236 74 ASN HA 96 ILE QD1 6.53 #peak 3238 96 ILE HA 96 ILE QD1 6.25 #peak 3239 76 LEU QD2 96 ILE QG1 7.40 #peak 3240 96 ILE QD1 96 ILE QG1 6.32 #peak 3241 82 LEU QD2 96 ILE QG1 7.40 #peak 3242 96 ILE HB 96 ILE QG2 3.71 #peak 3245 96 ILE HA 96 ILE QG2 4.88 #peak 3247 96 ILE HN 96 ILE QG2 5.63 #peak 3249 70 PHE QD 96 ILE QD1 8.65 #peak 3251 70 PHE QE 96 ILE QD1 8.18 #peak 3252 96 ILE HN 96 ILE QD1 5.50 #peak 3255 76 LEU QD2 81 TYR HN 6.53 #peak 3269 37 PRO HG3 40 VAL QG1 5.60 #peak 3284 37 PRO HG3 54 MET QE 5.19 #peak 3285 24 ILE QG2 24 ILE HB 4.76 #peak 3304 24 ILE QG2 24 ILE QD1 6.22 #peak 3305 24 ILE HA 24 ILE QG2 5.41 #peak 3306 7 VAL QG2 88 ARG+ HD2 5.54 #peak 3309 7 VAL QG1 88 ARG+ HD2 6.03 #peak 3310 40 VAL QG1 90 ARG+ HB3 5.85 #peak 3320 7 VAL QG2 88 ARG+ HG2 6.50 #peak 3325 85 ILE QG2 93 TYR HB2 5.44 #peak 3386 85 ILE QG2 93 TYR HB3 5.69 #peak 3387