NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *9 E 4.4142 8.4293 116.7535 55.7306 31.7528 176.9261 10 E 4.6886 7.9677 116.2800 55.2229 30.3782 170.3483 11 E 4.7450 8.1343 125.5814 55.6820 35.1685 175.6938 12 E 4.5194 8.3171 119.9703 54.3033 32.3633 174.4502 13 L 4.0715 8.6165 128.7114 55.0645 42.6256 176.0400 14 V 4.2920 8.0725 124.8979 60.9200 34.5068 174.2692 15 D 4.5914 8.6869 126.7774 52.6657 40.7124 174.5837 16 P 4.2585 0.0000 0.0000 66.2338 30.8251 177.2661 17 L 3.9527 8.6791 120.8404 58.3352 41.8404 178.7122 18 T 3.9173 8.1439 109.4697 65.3441 68.4871 176.3552 19 T 4.2796 7.7214 118.9736 66.1844 68.7085 176.5596 20 I 3.9903 7.8978 120.8775 63.7023 36.9013 178.4664 21 R 4.1156 7.8762 118.5128 59.1774 30.0860 177.7828 22 E 4.2450 8.0220 119.4748 58.8000 29.1704 178.1910 23 H 4.0927 8.6413 118.3470 60.1471 30.0199 176.8390 24 C 4.1478 8.2779 117.8582 59.5597 39.9435 175.7338 25 E 4.0206 8.3656 119.6112 58.5247 28.9641 177.6828 26 Q 4.4699 7.3311 118.3975 55.5785 30.2359 174.8122 27 T 4.4813 7.2805 115.0140 61.3907 69.8227 174.5366 28 E 3.4594 7.8759 120.1357 59.6170 29.5717 179.1346 29 K 3.8690 8.2334 117.4637 60.0775 31.8047 178.7681 30 C 4.3513 8.0435 116.0468 62.8645 28.2324 175.7990 31 V 3.7129 7.9681 119.7044 66.2638 30.7480 178.1253 32 K 4.1984 8.2393 116.8026 58.0356 31.6977 178.2509 33 A 4.2290 7.4379 119.5829 54.1475 20.1374 178.6919 34 R 3.4318 9.3278 117.2607 59.7184 29.9502 178.0995 35 E 3.8091 8.6944 119.1636 59.4053 29.6281 178.7056 36 R 3.9082 7.4540 117.7504 59.7039 30.1066 178.4805 37 L 3.9529 8.4080 120.0844 57.9368 42.0950 178.9186 38 E 3.7931 8.0332 118.3356 59.3014 29.4038 179.6421 39 L 3.9398 7.7809 118.7783 58.0908 41.7186 178.8053 40 C 4.1917 7.8814 118.0800 59.6856 40.1841 174.6403 41 D 4.2887 8.4153 119.7459 58.0858 40.7890 178.0819 42 A 3.9273 8.4387 121.2579 55.4896 18.4800 179.4502 43 R 3.8662 8.6079 113.7125 59.2404 29.1406 179.0188 44 V 3.8334 8.0063 118.2148 65.2037 31.6868 177.9401 45 S 4.2517 8.2887 115.0079 62.2570 62.8379 175.9590 46 S 3.9192 8.0605 114.8404 60.6041 62.7536 174.2988 47 R 3.8700 7.2098 121.5806 56.1516 30.6779 176.8487 48 S 4.7216 8.6300 114.3611 58.4486 64.0227 173.3630 49 H 4.9872 7.8810 120.1058 56.3626 29.8885 172.7371 50 T 4.4898 7.7257 112.3049 60.1562 69.5850 173.0390 51 E 4.1738 8.7315 126.2935 56.9589 29.5204 176.5724 52 E 4.1539 7.5128 120.0324 56.7172 30.2569 176.0603 53 Q 4.5886 8.0883 119.6799 55.3387 32.9530 175.4451 54 C 5.2119 8.3775 119.2228 56.8393 41.1813 176.3481 55 T 3.5298 7.5482 117.2160 65.6711 68.0313 175.6279 56 E 3.8107 7.5324 120.2971 59.4411 30.1374 179.1842 57 E 4.0784 8.1631 117.9560 59.6445 29.6033 178.7941 58 L 4.0752 7.6824 120.0199 58.8409 41.8659 178.8738 59 F 4.6887 8.5236 117.8479 60.3517 38.9563 177.1899 60 D 4.4686 9.0460 118.6517 58.4811 40.8434 178.5103 61 F 4.4798 9.2424 121.5753 59.1413 39.0082 177.2970 62 L 3.1570 8.2388 117.8617 58.0077 42.0502 178.5954 63 H 3.7967 8.9223 118.0795 59.9213 29.5645 176.7449 64 A 3.9950 7.9777 121.5291 55.5862 18.1809 178.8379 65 R 3.6980 8.0424 117.8680 58.9173 29.9362 178.0121 66 D 4.2810 8.4944 118.3605 57.8742 40.9430 178.4347 67 H 3.8673 7.8492 117.0118 59.6854 29.9656 175.5825 68 C 4.3162 7.9507 119.5184 59.8360 42.5366 175.4366 69 V 3.5273 7.8935 119.7032 66.3082 30.8545 177.5809 70 A 3.9496 8.2776 117.3577 53.7348 18.2597 177.7116 71 H 4.4539 8.0548 116.5176 55.8895 30.1967 174.4933 72 K 4.5194 7.7185 117.5546 58.0336 37.8065 176.8880 73 L 3.5434 8.1832 122.0414 58.0617 41.8508 177.5632 74 F 4.8698 8.1076 114.2147 58.0942 39.3274 176.1334 75 N 4.5480 9.0230 120.3164 55.8932 38.5268 176.2308 76 K 4.4158 8.0370 114.0895 56.1052 32.4262 175.9400 77 L 4.6471 7.6234 119.1546 52.8026 43.6656 176.3353 78 K 4.0817 8.4490 122.4188 56.5257 32.1530 175.9789 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 *9 E 8.43 4.41 0.00 1.73 1.79 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 0.00 2.13 2.37 0.00 10 E 7.97 4.69 0.00 2.11 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 2.18 2.39 0.00 11 E 8.13 4.74 0.00 1.89 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 12 E 8.32 4.52 0.00 1.86 1.77 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 0.00 2.19 2.29 0.00 13 L 8.62 4.07 0.00 1.63 1.58 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.07 4.29 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 0.87 0.00 0.00 1.01 0.00 0.00 15 D 8.69 4.59 0.00 2.76 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 16 P 0.00 4.26 0.00 2.33 2.37 0.00 3.77 0.00 0.00 3.80 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 17 L 8.68 3.95 0.00 1.82 1.94 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.14 3.92 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 19 T 7.72 4.28 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 20 I 7.90 3.99 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.95 0.96 0.00 0.00 21 R 7.88 4.12 0.00 1.98 2.04 0.00 3.20 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 22 E 8.02 4.24 0.00 2.33 1.95 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 2.36 2.59 0.00 23 H 8.64 4.09 0.00 3.25 3.37 0.00 5.77 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.28 4.15 0.00 3.09 3.08 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 25 E 8.37 4.02 0.00 2.22 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 0.00 2.69 2.65 0.00 26 Q 7.33 4.47 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.66 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 27 T 7.28 4.48 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 28 E 7.88 3.46 0.00 2.08 1.79 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 0.00 2.38 2.52 0.00 29 K 8.23 3.87 0.00 1.83 1.89 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.55 7.81 30 C 8.04 4.35 0.00 3.33 3.23 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 31 V 7.97 3.71 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 0.98 0.00 0.00 1.01 0.00 0.00 32 K 8.24 4.20 0.00 1.84 1.85 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.63 7.81 33 A 7.44 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 34 R 9.33 3.43 0.00 1.75 2.15 0.00 2.95 0.00 0.00 2.72 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 35 E 8.69 3.81 0.00 2.09 1.95 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 2.29 2.33 0.00 36 R 7.45 3.91 0.00 1.91 2.01 0.00 3.19 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.96 0.00 37 L 8.41 3.95 0.00 1.67 1.67 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.03 3.79 0.00 2.10 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 2.55 2.49 0.00 39 L 7.78 3.94 0.00 1.87 1.71 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 40 C 7.88 4.19 0.00 2.91 3.15 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 0.00 0.00 0.00 41 D 8.42 4.29 0.00 2.83 2.77 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 0.00 0.00 0.00 0.00 42 A 8.44 3.93 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 43 R 8.61 3.87 0.00 2.02 2.21 0.00 2.75 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.67 0.00 44 V 8.01 3.83 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 0.84 0.00 0.00 1.00 0.00 0.00 45 S 8.29 4.25 0.00 3.94 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 46 S 8.06 3.92 0.00 4.02 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 47 R 7.21 3.87 0.00 1.90 1.95 0.00 3.28 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 48 S 8.63 4.72 0.00 3.95 3.93 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 49 H 7.88 4.99 0.00 3.00 3.24 0.00 5.86 0.00 0.00 0.00 0.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.73 4.49 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 1.19 0.00 0.00 51 E 8.73 4.17 0.00 1.96 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 2.25 2.20 0.00 52 E 7.51 4.15 0.00 1.94 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 53 Q 8.09 4.59 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.36 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 54 C 8.38 5.21 0.00 2.92 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 55 T 7.55 3.53 3.96 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 0.52 0.00 0.00 56 E 7.53 3.81 0.00 2.03 1.90 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 2.48 2.51 0.00 57 E 8.16 4.08 0.00 2.21 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 2.39 2.44 0.00 58 L 7.68 4.08 0.00 1.82 1.71 1.13 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.52 4.69 0.00 3.27 2.95 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 0.00 60 D 9.05 4.47 0.00 2.83 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 61 F 9.24 4.48 0.00 3.13 3.29 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 62 L 8.24 3.16 0.00 2.03 1.64 1.19 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.92 3.80 0.00 3.29 3.47 0.00 5.59 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 64 A 7.98 3.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 3.70 0.00 0.83 1.38 0.00 3.18 0.00 0.00 3.16 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 66 D 8.49 4.28 0.00 2.74 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 67 H 7.85 3.87 0.00 3.25 3.45 0.00 5.77 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 7.95 4.32 0.00 2.95 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 69 V 7.89 3.53 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 1.02 0.00 0.00 0.96 0.00 0.00 70 A 8.28 3.95 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 71 H 8.05 4.45 0.00 3.35 3.33 0.00 5.80 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.72 4.52 0.00 1.97 2.01 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.42 7.81 73 L 8.18 3.54 0.00 1.72 1.81 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.11 4.87 0.00 2.93 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 75 N 9.02 4.55 0.00 2.95 2.90 0.00 0.00 6.90 5.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.04 4.42 0.00 1.77 1.85 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.48 7.81 77 L 7.62 4.65 0.00 1.54 1.41 1.08 0.86 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 78 K 8.45 4.08 0.00 1.67 1.63 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.