NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 T 4.0291 8.1744 110.9231 62.2768 68.7643 172.3773 8 D 5.0944 7.3450 135.0000 51.6601 41.9858 174.2145 9 P 4.1091 0.0000 0.0000 65.5823 32.7129 178.0024 10 H 4.2370 8.2843 118.1169 59.2765 29.8073 178.1871 11 A 4.1090 7.8462 118.3920 52.9753 18.0900 178.4360 *13 R 4.4072 8.1052 120.0754 58.0985 32.0748 178.2741 14 D 4.2822 8.2143 114.4056 55.0268 40.3591 178.0247 *16 A 4.3859 8.2457 124.1321 52.3951 20.6355 179.8228 17 G 3.8100 8.1871 102.5266 48.3550 0.0000 175.7439 18 R 3.8188 8.1162 120.9609 59.0374 29.9907 179.2596 19 F 4.0965 8.0617 116.8644 60.2675 38.9502 177.0762 20 E 4.0053 8.6834 119.5857 59.3575 29.3986 179.0483 21 V 3.5606 7.9222 118.1674 66.3899 31.5244 177.6818 22 H 4.1953 8.1540 115.6447 58.7148 28.4419 177.4572 23 A 4.0243 8.4323 122.9147 55.5313 18.1566 179.7645 24 Q 3.9531 8.2825 116.4092 59.2889 28.6870 179.1338 25 T 3.8496 8.0621 116.8069 66.7442 68.5298 176.8815 26 V 3.6417 8.0173 120.1374 65.8889 31.5903 177.7272 27 E 3.8621 8.4694 118.7174 59.7313 29.4587 179.2393 28 D 4.3278 8.3821 119.0458 57.3879 40.6302 178.7468 29 E 4.0012 8.1741 118.2487 58.9604 29.4991 178.8660 30 A 3.1284 7.8110 120.6786 54.7941 18.6522 179.2464 31 R 3.9481 7.6493 117.0466 59.4960 29.9700 179.3704 32 R 3.8478 7.6349 113.8371 56.7681 29.7552 178.1893 *34 W 4.6146 7.9603 130.2608 57.4968 32.4657 177.1864 35 A 4.0744 8.2201 119.4263 55.5708 18.0721 178.5757 36 S 4.2419 8.2818 110.6928 61.8807 63.0579 176.2814 37 A 3.9118 7.7980 120.8724 53.5412 18.3962 176.4845 38 Q 4.0805 7.8415 116.6578 56.5659 29.1716 174.2962 *56 T 4.0572 7.5832 107.8518 61.7936 68.8188 173.6643 *58 A 4.4829 7.8184 124.5382 52.2119 20.4588 179.6998 59 Q 4.0531 8.0271 111.0237 57.4343 29.0131 177.8044 *61 N 4.8663 8.2593 118.4023 53.8513 40.8369 176.1367 62 Q 3.9983 8.8306 118.6649 59.1063 29.0257 178.1124 63 A 3.9352 8.2335 121.8491 55.2541 18.4119 179.4293 64 F 4.2410 8.1023 115.6203 61.0858 38.9718 178.0730 65 R 3.9950 8.1968 117.4722 59.2922 29.6074 178.7506 66 N 4.3252 8.1761 115.5044 56.3942 38.5901 177.2857 67 I 3.8585 7.5802 119.9907 64.3666 37.6150 178.1985 68 V 3.7640 7.9355 118.9737 66.0955 31.2240 178.4567 69 N 4.3630 8.1936 114.5539 54.1214 38.9414 176.7517 *71 L 4.3160 7.9151 122.5061 55.2663 43.8959 179.0740 72 H 4.4730 8.7460 116.2105 58.5615 28.4583 178.1759 73 G 3.5259 8.3969 108.0498 47.8154 0.0000 175.9142 74 V 3.3765 7.5771 120.7316 65.3375 31.4224 177.8700 75 R 3.8673 7.8489 118.3263 59.5961 30.0377 178.1947 76 D 4.4469 8.3349 118.9286 57.2275 40.7373 178.9695 77 G 3.5752 8.1126 106.0820 47.8889 0.0000 175.3296 78 L 3.9459 7.8169 122.1414 57.6658 41.6208 180.0719 79 V 3.5811 7.9337 117.8113 65.8874 31.4466 178.0772 80 R 3.8843 8.4860 118.9879 59.2897 29.9228 178.1889 81 D 4.3149 8.9211 119.1652 57.3107 40.9802 178.3871 82 A 4.0097 8.1250 121.2563 55.3991 18.3770 179.2053 83 N 4.2685 8.3653 114.8515 56.8493 38.2103 177.1014 84 N 4.3007 8.6693 117.9486 56.8728 38.6208 176.8453 85 Y 4.0754 8.2813 120.6076 60.6268 38.8486 177.6413 86 E 3.9947 8.3618 119.4741 59.3948 29.6614 178.9152 87 Q 3.9011 8.3272 119.8566 58.7768 28.9137 178.1382 88 Q 4.1021 7.5052 117.0865 58.1068 29.1332 177.3999 89 E 3.7010 7.7368 120.4634 59.0471 29.7512 178.3826 90 Q 4.0438 8.6906 119.5218 59.2756 29.3170 178.1408 91 A 4.0125 7.9549 122.0102 55.0878 18.4731 179.7552 92 S 4.1193 8.2738 112.8832 61.5010 61.9652 176.6395 93 Q 4.0796 7.9057 121.4987 58.3794 28.2701 178.0417 94 Q 4.2630 7.9625 117.7416 58.2708 29.0397 177.8276 95 I 3.9676 7.4796 119.9150 63.0268 37.0780 176.6832 96 L 4.6803 7.2772 117.9486 54.2944 42.0220 176.5682 97 S 4.3309 7.3350 120.0966 58.5914 63.1589 173.7991 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 7 T 8.17 4.03 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 8 D 7.35 5.09 0.00 2.74 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.11 0.00 2.23 2.23 0.00 3.45 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.14 0.00 10 H 8.28 4.24 0.00 3.18 3.47 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.85 4.11 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.11 4.41 0.00 2.03 2.02 0.00 3.16 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.88 0.00 14 D 8.21 4.28 0.00 2.78 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.25 4.39 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.19 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.12 3.82 0.00 1.68 1.72 0.00 3.06 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.79 0.00 19 F 8.06 4.10 0.00 3.27 3.16 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 0.00 0.00 0.00 0.00 20 E 8.68 4.01 0.00 2.10 2.18 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 2.33 2.39 0.00 21 V 7.92 3.56 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 0.89 0.00 0.00 0.94 0.00 0.00 22 H 8.15 4.20 0.00 3.43 3.32 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.43 4.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.28 3.95 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.74 0.00 25 T 8.06 3.85 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 26 V 8.02 3.64 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 1.10 0.00 0.00 27 E 8.47 3.86 0.00 2.19 1.94 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 2.30 2.49 0.00 28 D 8.38 4.33 0.00 2.78 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 29 E 8.17 4.00 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 30 A 7.81 3.13 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.65 3.95 0.00 1.81 2.01 0.00 3.06 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 32 R 7.63 3.85 0.00 2.08 1.94 0.00 3.38 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.79 0.00 *34 W 7.96 4.61 0.00 3.47 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.22 4.07 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 4.24 0.00 3.88 3.97 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 37 A 7.80 3.91 1.13 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 0.00 0.00 38 Q 7.84 4.08 0.00 2.05 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.95 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 *56 T 7.58 4.06 4.22 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 1.16 0.00 0.00 *58 A 7.82 4.48 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.03 4.05 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.44 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 *61 N 8.26 4.87 0.00 3.09 3.12 0.00 0.00 6.73 6.87 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 62 Q 8.83 4.00 0.00 2.27 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 63 A 8.23 3.94 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 64 F 8.10 4.24 0.00 3.31 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 8.20 4.00 0.00 1.92 2.01 0.00 3.15 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 66 N 8.18 4.33 0.00 2.90 2.89 0.00 0.00 7.09 6.97 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 67 I 7.58 3.86 2.12 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.59 0.97 0.00 0.00 68 V 7.94 3.76 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 0.78 0.00 0.00 1.03 0.00 0.00 69 N 8.19 4.36 0.00 2.88 2.84 0.00 0.00 7.06 7.10 0.00 0.00 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 L 7.92 4.32 0.00 1.90 1.90 1.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 72 H 8.75 4.47 0.00 3.28 3.32 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.40 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.58 3.38 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 0.61 0.00 0.00 75 R 7.85 3.87 0.00 2.03 2.11 0.00 3.18 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 76 D 8.33 4.45 0.00 2.70 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 77 G 8.11 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.82 3.95 0.00 1.86 1.76 0.98 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.93 3.58 2.24 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 1.08 0.00 0.00 1.01 0.00 0.00 80 R 8.49 3.88 0.00 2.01 2.06 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 81 D 8.92 4.31 0.00 2.89 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.12 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 N 8.37 4.27 0.00 2.93 2.91 0.00 0.00 7.08 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.67 4.30 0.00 2.90 2.93 0.00 0.00 6.76 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 8.28 4.08 0.00 3.17 3.11 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 0.00 0.00 0.00 0.00 86 E 8.36 3.99 0.00 2.16 2.02 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 2.45 2.52 0.00 87 Q 8.33 3.90 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 88 Q 7.51 4.10 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.54 0.00 0.00 0.00 0.00 0.00 2.37 2.09 0.00 89 E 7.74 3.70 0.00 1.70 2.02 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 2.25 2.18 0.00 90 Q 8.69 4.04 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.50 2.37 0.00 91 A 7.95 4.01 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.27 4.12 0.00 4.02 4.22 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 93 Q 7.91 4.08 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.85 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 94 Q 7.96 4.26 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.12 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 95 I 7.48 3.97 2.02 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.78 0.90 0.00 0.00 96 L 7.28 4.68 0.00 1.62 1.63 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 97 S 7.33 4.33 0.00 4.15 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.