NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *5 W 4.6856 8.2749 121.3290 56.7294 29.0902 174.9632 6 H 4.6054 8.3575 123.7629 52.7368 27.6371 173.3692 7 R 4.2207 7.6545 121.5599 54.6788 32.0481 174.7565 8 P 4.5169 0.0000 0.0000 62.8974 32.1118 175.3226 9 D 4.9644 8.1855 118.4654 52.2198 43.5528 176.5732 10 K 4.2119 8.5615 121.5771 56.4921 31.8359 177.3102 11 C 4.9606 8.4675 121.0869 55.0407 42.9404 174.8360 12 C 4.6190 8.6147 119.8619 56.5132 39.5190 173.7169 13 L 4.2604 8.1771 124.2126 54.0797 41.9863 176.8813 14 G 3.8572 7.1131 104.4746 45.0748 0.0000 172.4175 15 Y 4.9770 8.2814 119.4121 55.4882 39.8260 175.5880 16 Q 3.9632 9.1370 127.9551 57.3026 28.8002 177.0739 17 K 4.0893 8.4218 130.8584 57.7009 32.4038 174.5001 18 R 4.1743 7.3463 118.5481 54.1231 30.8332 176.9396 19 P 2.0000 0.0000 0.0000 62.2294 31.7523 176.0626 20 L 4.4563 7.4971 120.1687 52.4632 43.5133 174.8093 21 P 4.3581 0.0000 0.0000 61.9546 32.1006 176.8229 22 Q 3.9076 8.9977 125.0721 59.5537 28.8522 178.8759 23 V 3.8976 7.6885 107.7348 62.7550 31.8630 176.4770 24 L 4.4081 8.2598 120.2875 54.8739 42.3722 176.0029 25 L 5.1407 7.6244 118.8814 53.3215 43.3398 176.1095 26 S 4.8340 9.6748 119.4282 60.1537 64.3464 174.2468 27 S 5.0921 7.7336 111.5779 57.5292 65.8084 174.2256 28 W 5.1004 8.7055 116.8175 55.0461 31.6924 173.6403 29 Y 4.6897 8.8516 121.5584 55.3258 41.9468 172.4074 30 P 4.7386 0.0000 0.0000 62.5285 32.6393 176.0202 31 T 4.2191 7.7377 111.4917 60.7882 70.4412 173.9504 32 S 4.1470 8.5468 115.6713 58.4531 62.7534 175.0214 33 Q 4.0323 8.6066 125.5889 58.8050 28.6032 177.3056 34 L 4.3629 7.8288 115.6566 54.9796 41.9125 176.4715 35 C 4.4314 7.8419 117.5743 56.6677 40.4675 173.3495 36 S 4.0669 8.6116 118.9243 60.9664 62.1651 173.7548 37 K 4.4972 7.6767 120.5851 54.5510 32.1188 175.3811 38 P 4.6457 0.0000 0.0000 61.5570 30.1400 174.8389 39 G 4.4933 8.2634 115.0447 45.3867 0.0000 169.5350 40 V 4.6956 8.6624 113.7086 59.5467 35.1926 174.9393 41 I 5.1535 8.4982 122.1235 59.7794 40.4861 175.0163 42 F 5.4080 9.3581 125.4545 55.9304 41.6801 174.6199 43 L 5.1793 9.9321 123.0083 53.6843 43.2265 176.9677 44 T 4.6494 8.6592 115.0408 60.7477 70.3516 175.8152 45 K 4.0015 8.8096 121.2732 59.5989 31.8545 179.4268 46 R 3.9815 8.0951 118.3175 58.0440 30.3020 177.3070 47 G 4.1219 7.8656 106.7827 45.6226 0.0000 174.4726 48 R 4.3590 8.5210 120.8896 56.5437 30.9811 179.8184 49 Q 5.2591 8.6071 120.0434 54.3232 30.8250 175.2825 50 V 4.5781 8.5398 123.1914 61.2143 34.8968 173.8979 51 C 5.2731 9.0441 124.9494 57.0025 39.3503 172.4084 52 A 5.0911 9.4114 123.8564 50.3255 23.0288 174.7460 53 D 3.9905 8.1617 120.8227 52.7422 41.9011 176.8529 54 K 4.0543 7.8223 122.4084 57.7194 32.5346 177.4191 55 S 4.4479 7.7235 113.1534 58.3785 62.7748 174.4461 56 K 4.3723 7.1031 121.2439 55.3795 35.0163 176.8980 57 D 4.2014 8.2796 119.6358 56.8758 40.6494 178.8120 58 W 4.3585 7.9929 115.8706 58.3377 28.4633 178.2069 59 V 3.1837 6.6225 119.3698 64.9610 31.1493 177.7223 60 K 3.6895 7.1819 118.6010 59.6613 32.4798 179.1319 61 K 3.8274 7.6966 120.1652 59.8999 32.2909 179.0156 62 L 4.0932 7.5091 119.2813 57.2439 41.2496 179.3530 63 M 3.1206 7.3526 118.4105 57.7934 31.7991 178.1919 64 Q 4.1362 7.8942 117.4814 59.1835 29.0324 178.6718 65 Q 4.1718 7.6834 117.2110 58.1090 29.1907 177.4877 66 L 4.6865 7.2397 118.0044 52.7803 43.3717 174.8009 67 P 4.8081 0.0000 0.0000 62.5834 32.9119 175.7035 68 V 3.4500 8.2753 122.0780 61.4146 31.9904 176.0569 69 T 3.8986 8.8431 122.7637 64.0410 69.4254 174.1059 70 A 4.2989 8.3492 129.1774 50.8065 18.7860 178.1846 71 R 3.6310 8.3514 118.5996 57.4768 29.2605 174.3293 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ *5 W 8.27 4.69 0.00 2.53 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 8.36 4.61 0.00 3.20 3.25 0.00 5.67 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.65 4.22 0.00 1.81 1.87 0.00 3.21 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 8 P 0.00 4.52 0.00 2.19 2.06 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 9 D 8.19 4.96 0.00 2.65 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.56 4.21 0.00 1.80 1.83 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.48 7.81 11 C 8.47 4.96 0.00 2.93 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 C 8.61 4.62 0.00 3.06 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.18 4.26 0.00 1.58 1.65 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.11 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 8.28 4.98 0.00 3.04 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 9.14 3.96 0.00 2.19 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.99 0.00 0.00 0.00 0.00 0.00 2.71 2.72 0.00 17 K 8.42 4.09 0.00 1.81 1.61 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.01 7.81 18 R 7.35 4.17 0.00 1.82 1.74 0.00 3.24 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.21 0.00 19 P 0.00 2.00 0.00 1.47 1.09 0.00 3.16 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.98 0.00 20 L 7.50 4.46 0.00 1.53 1.47 1.12 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.36 0.00 2.13 1.92 0.00 3.56 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 22 Q 9.00 3.91 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.97 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 23 V 7.69 3.90 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.93 0.00 0.00 24 L 8.26 4.41 0.00 1.90 1.69 0.96 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.62 5.14 0.00 1.75 1.66 0.42 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 26 S 9.67 4.83 0.00 3.81 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.73 5.09 0.00 4.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 W 8.71 5.10 0.00 2.91 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.85 4.69 0.00 2.73 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.74 0.00 1.87 1.91 0.00 2.46 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.51 0.00 31 T 7.74 4.22 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 32 S 8.55 4.15 0.00 4.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.61 4.03 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 34 L 7.83 4.36 0.00 1.64 1.70 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 35 C 7.84 4.43 0.00 3.13 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.61 4.07 0.00 3.82 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.68 4.50 0.00 1.72 1.76 0.00 1.57 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.57 1.45 7.81 38 P 0.00 4.65 0.00 2.15 2.20 0.00 3.83 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 39 G 8.26 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.66 4.70 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.58 0.00 0.00 41 I 8.50 5.15 2.04 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.92 1.05 0.00 0.00 42 F 9.36 5.41 0.00 3.14 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 9.93 5.18 0.00 1.96 1.68 1.01 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.66 4.65 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 45 K 8.81 4.00 0.00 1.67 1.94 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.60 1.59 7.81 46 R 8.10 3.98 0.00 1.83 2.00 0.00 3.19 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 47 G 7.87 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.52 4.36 0.00 1.51 1.81 0.00 3.24 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.48 0.00 49 Q 8.61 5.26 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.66 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 50 V 8.54 4.58 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.06 0.00 0.00 51 C 9.04 5.27 0.00 3.09 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 9.41 5.09 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.16 3.99 0.00 1.59 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.82 4.05 0.00 1.69 1.70 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.22 7.81 55 S 7.72 4.45 0.00 3.94 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 7.10 4.37 0.00 0.96 1.56 0.00 1.54 0.00 0.00 1.51 0.00 0.00 2.97 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.26 1.41 7.81 57 D 8.28 4.20 0.00 2.75 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 W 7.99 4.36 0.00 3.57 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 6.62 3.18 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 -0.85 0.00 0.00 60 K 7.18 3.69 0.00 1.69 1.84 0.00 1.28 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.44 7.81 61 K 7.70 3.83 0.00 1.94 2.10 0.00 1.34 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.61 1.62 7.81 62 L 7.51 4.09 0.00 1.86 1.65 1.19 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 63 M 7.35 3.12 0.00 0.61 1.66 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.81 0.00 64 Q 7.89 4.14 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 65 Q 7.68 4.17 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.67 0.00 66 L 7.24 4.69 0.00 2.09 1.89 1.13 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.81 0.00 2.17 2.24 0.00 3.96 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.04 0.00 68 V 8.28 3.45 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.26 0.00 0.00 69 T 8.84 3.90 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 70 A 8.35 4.30 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.35 3.63 0.00 1.84 1.77 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.24 0.00 * Residues marked with a * may have inaccurate shift predictions.