NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4770 8.3344 116.8048 58.3317 64.8179 173.0190 8 D 4.8715 7.9759 120.1551 51.5538 43.1318 173.9289 9 F 5.5269 8.8241 117.5287 55.3031 42.0702 173.5376 10 V 4.6782 9.3373 112.7852 59.6398 35.2940 174.7667 11 V 4.8086 8.6808 124.3012 61.4376 33.6280 174.4915 12 I 4.9898 8.9972 128.6196 59.4692 40.6178 174.0795 13 K 5.0384 9.2827 129.2222 54.4579 34.5806 174.8470 14 A 4.6192 8.7653 129.9084 51.9072 19.2480 177.5985 15 L 4.6574 9.2784 122.6890 55.0614 42.7226 175.7269 16 E 4.7846 7.7697 115.5896 54.6611 33.1446 174.5879 17 D 4.6199 8.7337 119.2287 54.8578 41.5847 176.0325 18 G 3.8709 8.3417 106.8746 46.7340 0.0000 174.4227 19 V 3.9706 7.7839 119.2395 62.3186 33.2441 174.1569 20 N 5.2257 9.4409 126.1134 51.9285 41.0355 173.2818 21 V 4.5511 8.7331 127.6812 61.5901 33.1682 174.0351 22 I 4.7177 8.9478 130.4438 59.6369 39.0496 175.2657 23 G 4.3605 9.5873 116.2754 45.1241 0.0000 172.4274 24 L 4.8160 8.8515 124.3380 53.3719 44.9278 176.4355 25 T 4.7345 8.5983 112.1131 63.1178 69.6689 174.1877 *30 T 4.2770 7.6513 127.3879 62.7010 68.9333 173.6974 31 R 4.4853 8.0239 125.5083 54.8451 32.5264 178.3314 *32 F 4.5083 8.2570 114.9391 56.4640 36.0098 170.5999 33 H 4.3231 8.2740 122.2845 58.3333 29.0222 176.2659 34 H 4.6524 7.9989 123.2051 53.9342 32.2417 171.8273 35 S 4.7718 8.5129 120.5117 57.1215 64.5044 173.3049 36 E 4.4420 8.4148 127.1382 55.5466 32.4376 174.8652 37 K 4.7702 8.6568 131.0267 54.8740 33.1563 172.7632 38 L 4.9795 9.0366 123.4662 52.6257 45.4396 175.5957 39 D 5.1721 10.0669 123.6772 51.8742 43.9573 175.6745 40 K 3.9873 8.6923 122.0136 59.2340 32.0596 176.9277 41 G 4.0186 9.2571 116.0100 44.9871 0.0000 173.0837 42 E 4.3302 8.2962 119.8278 56.1142 31.0009 175.8964 43 V 4.9362 8.2490 121.4003 61.0436 34.4478 174.1976 44 L 4.6897 9.0390 129.8460 53.3229 44.7151 174.9869 45 I 4.8616 8.4620 126.7282 59.8704 38.4457 174.3515 46 A 4.6540 9.1152 130.3507 50.1228 20.9690 175.2153 47 Q 5.0589 8.4922 123.4544 54.2881 31.5432 174.8334 48 F 4.5254 8.7459 124.4254 57.5225 39.6762 175.8752 49 T 4.5766 8.4606 114.6609 59.8042 71.1615 174.2880 50 E 4.1496 8.7741 118.6207 59.8517 30.1188 177.7583 51 H 4.0121 8.5279 116.6048 57.9292 28.8476 174.2879 52 T 4.7830 7.5488 115.5469 61.7946 68.9153 174.0277 53 S 4.5109 8.9252 122.4118 60.5367 63.9056 174.5578 54 A 5.1526 8.0716 120.4950 49.7260 22.9675 174.7202 55 I 4.9754 8.4890 119.1676 59.4501 40.5768 174.8102 56 K 4.5903 9.2809 128.8492 54.6010 34.6214 174.9079 57 V 4.8017 8.3908 126.3345 61.1926 33.7892 174.2565 58 R 4.4688 9.1457 129.3240 54.9222 32.0824 174.6514 59 G 4.0797 8.8336 111.3034 43.0701 0.0000 172.6632 60 K 4.6090 9.0933 121.2494 55.9351 32.7166 175.5131 61 A 5.1420 9.0272 128.6889 50.6596 23.5548 173.5864 62 Y 5.0225 9.2050 121.4902 56.0642 40.9656 174.5898 63 I 4.9794 8.5529 127.4691 59.4909 40.9375 174.3578 64 Q 4.9717 9.1155 125.8668 54.2661 31.6192 174.8782 65 T 4.8895 8.5610 112.9565 59.3021 72.4490 174.6640 66 R 3.6566 8.5754 121.2788 59.6451 29.8089 176.3799 67 H 4.6878 7.6241 112.4308 55.5075 29.0824 174.2155 68 G 3.7297 8.0405 106.9300 44.1834 0.0000 173.4084 69 V 4.5835 7.7196 111.3316 60.4565 33.8254 175.4339 70 I 4.3153 7.9997 119.9275 60.2408 41.8997 172.3825 71 E 5.2573 8.8294 128.5208 54.3949 31.8802 174.9642 72 S 4.6011 9.1673 122.4992 57.3047 65.2078 172.7646 73 E 4.7559 8.8745 125.3450 54.3275 30.4306 175.7827 74 G 3.7646 8.4826 114.6955 45.6078 0.0000 171.9186 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 S 8.33 4.48 0.00 3.92 4.03 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 8 D 7.98 4.87 0.00 2.81 2.58 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 9 F 8.82 5.53 0.00 3.13 2.99 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 10 V 9.34 4.68 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 0.68 0.00 0.00 0.86 0.00 0.00 11 V 8.68 4.81 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 1.06 0.00 0.00 1.17 0.00 0.00 12 I 9.00 4.99 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.66 0.92 0.00 0.00 13 K 9.28 5.04 0.00 1.88 1.81 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.41 7.81 14 A 8.77 4.62 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 15 L 9.28 4.66 0.00 1.57 1.73 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.77 4.78 0.00 1.90 1.89 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 2.17 2.33 0.00 17 D 8.73 4.62 0.00 2.69 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 18 G 8.34 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 0.00 0.00 0.00 19 V 7.78 3.97 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 1.00 0.00 0.00 1.03 0.00 0.00 20 N 9.44 5.23 0.00 2.79 2.62 0.00 0.00 6.59 7.60 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 21 V 8.73 4.55 2.04 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 0.87 0.00 0.00 0.91 0.00 0.00 22 I 8.95 4.72 1.88 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 1.14 0.43 0.92 0.00 0.00 23 G 9.59 4.36 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 0.00 24 L 8.85 4.82 0.00 1.88 1.59 0.96 0.43 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 25 T 8.60 4.73 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 *30 T 7.65 4.28 4.25 0.00 0.00 0.00 0.00 0.00 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 31 R 8.02 4.49 0.00 1.92 1.98 0.00 3.21 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 *32 F 8.26 4.51 0.00 2.32 2.16 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 33 H 8.27 4.32 0.00 3.25 3.49 0.00 5.63 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.00 4.65 0.00 2.68 2.96 0.00 5.76 0.00 0.00 0.00 0.00 6.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.51 4.77 0.00 3.87 3.67 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 0.00 0.00 0.00 0.00 36 E 8.41 4.44 0.00 1.97 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 37 K 8.66 4.77 0.00 1.58 1.57 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.64 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.35 1.04 7.81 38 L 9.04 4.98 0.00 1.50 1.53 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 39 D 10.07 5.17 0.00 2.78 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.69 3.99 0.00 1.85 1.79 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.49 7.81 41 G 9.26 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 0.00 0.00 0.00 42 E 8.30 4.33 0.00 2.11 1.87 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 2.32 2.25 0.00 43 V 8.25 4.94 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.96 0.00 0.00 44 L 9.04 4.69 0.00 1.74 1.46 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.46 4.86 1.72 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.90 0.60 0.00 0.00 46 A 9.12 4.65 1.11 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 0.00 0.00 47 Q 8.49 5.06 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 48 F 8.75 4.53 0.00 3.06 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 49 T 8.46 4.58 4.31 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 1.24 0.00 0.00 50 E 8.77 4.15 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 51 H 8.53 4.01 0.00 3.27 3.40 0.00 5.76 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.55 4.78 4.35 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 1.31 0.00 0.00 53 S 8.93 4.51 0.00 3.91 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 54 A 8.07 5.15 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.49 4.98 1.81 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.59 0.85 0.00 0.00 56 K 9.28 4.59 0.00 1.79 1.65 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.37 7.81 57 V 8.39 4.80 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 0.85 0.00 0.00 0.92 0.00 0.00 58 R 9.15 4.47 0.00 1.90 1.75 0.00 3.13 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 59 G 8.83 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.09 4.61 0.00 1.99 1.73 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.41 7.81 61 A 9.03 5.14 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 62 Y 9.20 5.02 0.00 2.97 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.55 4.98 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.53 0.91 0.00 0.00 64 Q 9.12 4.97 0.00 1.89 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 65 T 8.56 4.89 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 1.18 0.00 0.00 66 R 8.58 3.66 0.00 1.59 1.79 0.00 3.19 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 67 H 7.62 4.69 0.00 3.20 3.26 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.04 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.72 4.58 1.58 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 0.66 0.00 0.00 1.00 0.00 0.00 70 I 8.00 4.32 1.84 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 1.14 0.87 0.00 0.00 71 E 8.83 5.26 0.00 2.11 1.85 0.00 0.00 0.00 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 2.37 0.00 72 S 9.17 4.60 0.00 3.92 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 73 E 8.87 4.76 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 74 G 8.48 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.