NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 M 4.4693 8.1633 118.7933 54.0424 33.4855 174.6373 2 I 4.8585 8.2157 120.9766 59.4486 39.6907 173.7803 3 I 4.3304 9.4713 128.7598 59.6193 37.7558 170.6606 4 N 5.2135 8.6933 123.8624 51.2727 41.3673 173.3808 5 N 4.8954 8.8697 123.7776 52.9522 39.6478 176.7010 6 L 3.7728 8.0902 122.7051 58.1647 41.9767 178.9307 7 K 4.0331 7.9017 118.9380 59.5064 32.1859 178.4419 8 L 3.9541 7.8233 118.7063 57.9160 41.7133 179.5471 9 I 3.6788 7.7848 119.5939 64.2560 37.0958 178.3131 10 R 3.8912 8.2757 119.9784 59.6981 29.8050 178.4478 11 E 3.9799 8.4924 118.5606 59.1309 29.2040 178.9756 12 K 3.8446 7.9768 118.9595 59.3216 32.2547 177.9430 13 K 4.3578 7.8668 117.4632 55.6658 32.5102 177.2225 14 K 3.8613 8.0027 119.8438 55.7351 29.5676 179.8321 15 I 4.5963 7.3916 120.1723 60.1070 39.1802 177.2482 16 S 4.5021 8.7099 120.2035 57.7158 65.3857 175.2102 17 Q 4.0206 8.5230 121.3306 59.2750 28.4290 179.3565 18 S 4.1083 8.0184 115.6077 61.6080 63.0660 176.4096 19 E 3.9258 7.9270 121.0401 59.3623 29.2227 179.2910 20 L 3.8968 8.0010 120.0797 58.0108 42.1846 178.7048 21 A 3.9762 8.2736 120.7763 55.1176 18.1180 179.4689 22 A 3.8943 8.1078 119.2124 55.3201 18.2409 179.8483 23 L 3.6321 7.3896 115.9886 57.6325 41.6698 179.2187 24 L 4.1888 7.6718 116.7222 54.4792 42.4451 176.4108 25 E 3.7767 7.6487 117.5612 57.7972 27.3889 173.9685 26 V 4.5510 7.4621 109.1963 58.9274 35.9925 176.1795 27 S 4.2663 8.3005 115.3438 58.0912 63.0055 174.9882 28 R 3.9583 8.6758 125.8236 59.7612 29.6934 178.7991 29 Q 4.0334 8.1875 117.3757 59.2720 28.6724 178.9355 30 T 4.2047 7.9882 116.8114 66.5683 68.5150 177.0799 31 I 3.8008 7.7596 121.3462 64.3449 37.1952 177.7881 32 N 4.3786 8.5546 118.2564 56.6521 38.7035 177.1723 33 G 3.5497 8.2503 108.5405 47.1569 0.0000 175.7850 34 I 3.8964 7.7382 123.4854 63.7703 36.9586 178.4138 35 E 4.0250 8.2067 118.2678 58.8652 29.2913 178.5695 36 K 4.2844 7.8153 115.9857 55.2396 32.3481 176.0013 37 N 4.2148 7.8993 116.4278 54.6054 37.7696 175.6168 38 K 4.0915 8.0053 118.6049 58.5818 32.8092 176.9289 39 Y 4.7442 6.7975 113.6857 56.3024 40.0546 172.7052 40 N 4.9763 8.6767 118.7681 51.3111 40.1165 173.6548 41 P 4.5604 0.0000 0.0000 61.8652 32.5110 176.5553 42 S 4.2724 8.2814 114.1976 58.0861 64.6721 174.9730 43 L 3.8239 8.2971 123.4706 58.4122 41.7769 178.8503 44 Q 3.9269 7.9706 118.9274 59.1426 28.9955 177.8105 45 L 3.9870 8.0834 121.1758 57.9539 42.0815 178.7083 46 A 4.1059 8.3066 121.1553 55.3219 18.2524 179.6549 47 L 4.0410 8.3412 117.7933 57.8609 41.5835 179.9621 48 K 4.0852 8.4147 118.6851 59.2808 31.9371 179.4369 49 I 3.8606 8.2883 120.2220 64.5262 37.2326 178.2419 50 A 4.0472 8.3228 121.5565 55.2609 18.0460 178.9500 51 Y 3.9161 8.2809 118.0617 61.2706 38.6927 178.0841 52 Y 4.1001 8.1208 115.6380 60.0073 38.1680 177.0056 53 L 4.3175 8.0805 117.8956 53.6538 42.8660 175.8417 54 N 4.1183 7.6729 116.0231 53.8903 36.4508 173.3687 55 C 4.8300 7.8161 109.4453 55.6073 33.5456 172.4085 56 P 4.3800 0.0000 0.0000 62.5057 31.7741 177.3101 57 L 4.0720 8.7827 123.2502 58.6175 41.7948 179.0520 58 E 4.6424 8.0153 116.8514 57.8524 29.5530 178.2101 59 D 4.4897 8.0891 119.0108 56.4588 41.1521 177.7365 60 I 4.0155 7.4812 119.4444 61.1817 37.9656 175.1899 61 F 5.5252 8.1301 119.0638 55.4874 42.1297 174.4342 62 Q 4.7799 9.6572 122.2659 54.1657 31.0591 174.0810 63 W 5.4242 8.9701 133.8755 55.1269 32.6747 175.1534 64 Q 4.1079 7.3452 124.3586 53.2033 31.1521 173.6868 65 P 3.4796 0.0000 0.0000 65.6858 31.7680 176.7905 *66 E 4.1354 8.0708 118.8262 56.0067 30.3334 179.6328 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 *1 M 8.16 4.47 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 2 I 8.22 4.86 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 1.14 0.00 0.00 3 I 9.47 4.33 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.76 0.91 0.00 0.00 4 N 8.69 5.21 0.00 2.77 2.72 0.00 0.00 6.90 7.79 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 5 N 8.87 4.90 0.00 2.74 2.68 0.00 0.00 6.22 6.77 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 L 8.09 3.77 0.00 1.50 1.66 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.90 4.03 0.00 1.83 1.76 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.62 7.81 8 L 7.82 3.95 0.00 1.86 1.67 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.78 3.68 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.16 0.88 0.00 0.00 10 R 8.28 3.89 0.00 1.87 1.95 0.00 3.33 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.69 0.00 11 E 8.49 3.98 0.00 2.20 1.97 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 2.32 2.52 0.00 12 K 7.98 3.84 0.00 1.86 2.02 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.49 7.81 13 K 7.87 4.36 0.00 1.92 1.81 0.00 1.97 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.54 7.81 14 K 8.00 3.86 0.00 1.90 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.30 1.26 7.81 15 I 7.39 4.60 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.26 0.91 0.00 0.00 16 S 8.71 4.50 0.00 4.04 3.98 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 17 Q 8.52 4.02 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 18 S 8.02 4.11 0.00 3.86 3.90 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 19 E 7.93 3.93 0.00 2.13 1.98 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 2.32 2.31 0.00 20 L 8.00 3.90 0.00 1.78 1.66 0.99 1.10 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 21 A 8.27 3.98 1.46 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 22 A 8.11 3.89 1.35 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 23 L 7.39 3.63 0.00 1.30 0.28 0.79 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.67 4.19 0.00 1.76 1.76 1.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.65 3.78 0.00 2.07 2.00 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 2.24 2.24 0.00 26 V 7.46 4.55 2.11 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 0.76 0.00 0.00 0.97 0.00 0.00 27 S 8.30 4.27 0.00 3.86 3.75 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 R 8.68 3.96 0.00 1.92 1.93 0.00 3.36 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.74 0.00 29 Q 8.19 4.03 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.71 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 30 T 7.99 4.20 4.47 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 1.33 0.00 0.00 31 I 7.76 3.80 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.90 0.94 0.00 0.00 32 N 8.55 4.38 0.00 3.04 2.95 0.00 0.00 7.12 8.16 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 G 8.25 3.55 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 34 I 7.74 3.90 2.10 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.57 1.15 0.00 0.00 35 E 8.21 4.02 0.00 2.06 1.99 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 2.33 2.61 0.00 36 K 7.82 4.28 0.00 1.69 1.77 0.00 1.82 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.56 7.81 37 N 7.90 4.21 0.00 2.83 2.86 0.00 0.00 7.13 6.13 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 38 K 8.01 4.09 0.00 0.96 1.69 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.27 7.81 39 Y 6.80 4.74 0.00 3.11 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 40 N 8.68 4.98 0.00 2.75 2.71 0.00 0.00 6.98 8.02 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 41 P 0.00 4.56 0.00 2.15 2.11 0.00 3.55 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 42 S 8.28 4.27 0.00 4.04 4.02 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 8.30 3.82 0.00 1.71 1.66 0.88 0.55 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 44 Q 7.97 3.93 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 45 L 8.08 3.99 0.00 1.84 1.79 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.31 4.11 1.18 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 47 L 8.34 4.04 0.00 1.84 1.75 0.91 1.02 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 48 K 8.41 4.09 0.00 2.07 2.10 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.69 7.81 49 I 8.29 3.86 2.26 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.88 1.03 0.00 0.00 50 A 8.32 4.05 1.48 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 51 Y 8.28 3.92 0.00 3.02 2.96 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 Y 8.12 4.10 0.00 3.11 3.02 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 L 8.08 4.32 0.00 1.69 1.71 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 54 N 7.67 4.12 0.00 2.74 2.79 0.00 0.00 6.69 7.55 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 55 C 7.82 4.83 0.00 3.19 2.82 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 P 0.00 4.38 0.00 2.22 2.04 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 57 L 8.78 4.07 0.00 1.80 1.76 0.99 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.02 4.64 0.00 2.03 2.05 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 2.41 2.34 0.00 59 D 8.09 4.49 0.00 2.80 2.70 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 60 I 7.48 4.02 1.60 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.50 0.12 0.00 0.00 61 F 8.13 5.53 0.00 2.98 2.93 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 62 Q 9.66 4.78 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.22 2.13 0.00 63 W 8.97 5.42 0.00 3.34 3.22 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 64 Q 7.35 4.11 0.00 1.83 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.88 0.00 0.00 0.00 0.00 0.00 2.25 1.90 0.00 65 P 0.00 3.48 0.00 2.05 2.18 0.00 3.42 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.98 0.00 *66 E 8.07 4.14 0.00 1.76 1.81 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.