NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.7662 8.4444 120.3942 55.5211 31.8866 172.9715 6 L 4.4107 7.6095 119.8362 52.7519 44.7923 174.0484 7 H 4.5429 8.8568 126.3948 54.3813 29.5394 173.3216 8 L 4.0435 8.1293 127.3711 54.1646 42.8210 176.7890 9 D 4.3432 8.7636 124.2554 54.3470 42.0717 175.2520 10 P 4.1954 0.0000 0.0000 65.9027 31.3381 178.3846 11 K 3.9108 8.6711 118.4764 59.5753 32.1211 179.1404 12 V 3.6381 7.7069 118.0793 65.6290 31.4784 177.8418 13 R 3.8438 8.2608 118.7916 59.6536 30.0438 178.4397 14 E 4.0395 8.8075 118.6523 59.2325 29.3720 179.1334 15 E 3.8922 8.2252 119.2663 59.2499 29.7614 178.7696 16 A 4.0094 8.4448 121.3387 55.1293 18.4136 179.6196 17 R 3.8801 8.4877 117.7667 59.2917 30.0828 178.8616 18 R 3.8749 7.9118 118.7986 59.5269 30.1411 178.7757 19 R 3.9849 7.9903 117.8709 59.0935 29.8972 179.0907 20 L 4.0448 7.9861 119.0046 57.5794 41.6578 179.3035 21 L 3.8523 7.9538 119.0770 57.7403 41.4412 179.5926 22 S 4.0478 8.1667 112.8632 61.2879 62.3192 175.9440 23 A 3.9935 8.0356 123.5421 55.0661 18.1037 179.5030 24 K 3.9613 8.8511 118.9324 59.6795 32.1987 179.2158 25 G 3.8890 8.5300 106.4432 46.0172 0.0000 175.1255 26 H 4.1721 8.5783 120.9806 58.9327 29.8998 177.2000 27 L 4.0002 8.1911 122.4518 58.0960 41.9442 178.7762 28 E 4.1446 8.5126 118.6976 58.8437 29.0772 179.5689 29 G 3.5418 7.5194 105.4422 47.7814 0.0000 175.6316 30 I 3.8448 7.3815 121.0576 63.9624 37.1481 178.1697 31 L 4.1915 7.7740 118.9617 57.6938 41.6638 180.5045 32 R 4.1236 7.8299 116.7315 56.3723 29.8957 178.1552 *34 L 4.2752 7.8333 117.3718 54.3639 43.4341 177.4585 35 E 4.2884 8.2498 118.1764 57.3913 30.1117 176.5466 36 D 4.6029 7.8352 120.2905 54.3636 42.2903 177.0626 37 E 4.1095 8.7927 119.4388 59.7371 30.0319 180.9052 38 K 4.5218 7.7405 119.0196 54.1854 31.7106 179.0884 39 V 3.6067 7.2900 120.0421 62.7535 31.8161 175.6597 40 Y 4.9340 8.1086 121.1350 56.7758 40.4958 176.3410 41 C 4.1035 8.7777 122.1579 63.2718 28.3512 176.6655 42 V 3.6374 7.8883 119.0210 66.2124 31.0042 177.6202 43 D 4.3818 8.1560 118.1584 57.1732 40.6538 178.6873 44 V 3.5817 7.6331 118.7596 66.0251 31.6160 177.9955 45 L 3.9869 7.9021 118.6633 57.7748 41.5440 179.7278 46 K 3.9843 8.2404 118.3284 59.7762 32.0549 179.5521 47 Q 4.1338 8.2968 118.2154 58.7931 28.5026 178.8211 48 L 4.0379 8.2722 120.5353 57.7557 41.5967 179.6376 49 K 3.9707 8.2569 118.2161 59.2378 32.0037 179.3229 50 A 3.9729 7.8994 121.1486 55.0838 18.3093 179.8440 51 V 3.5627 7.8803 116.8267 66.0929 31.5828 178.0587 52 E 4.0559 8.4833 118.6017 59.5015 29.2020 179.5679 53 G 3.6399 8.4975 105.8170 47.8113 0.0000 175.5712 54 A 4.0341 7.8967 122.7104 54.8510 18.2985 179.7788 55 L 3.9671 7.9363 117.7200 57.9504 41.6258 179.2908 56 D 4.3415 8.2803 118.9940 57.4053 40.5159 178.8527 57 R 3.8667 7.5121 118.2989 59.4412 30.1433 178.4890 58 V 3.8489 7.4911 117.5090 65.7273 31.8246 177.9359 59 G 3.8213 8.3082 105.8826 47.6347 0.0000 176.1494 60 E 4.1645 8.1737 118.1393 56.7772 29.2771 179.0836 *62 V 4.0215 7.7460 120.9816 62.9184 33.5247 177.2398 63 L 3.9664 8.5248 121.3157 58.0243 41.7908 178.6154 64 R 3.8665 8.4773 118.8448 59.7469 29.8934 178.3229 65 A 3.9953 7.9762 119.7543 55.3006 18.5377 178.9325 66 H 4.1633 8.4874 116.9070 59.3305 29.9606 177.5961 67 L 3.9442 8.3080 121.0888 57.8348 41.3116 179.3057 68 K 3.8249 7.9066 117.0694 59.8296 32.0759 178.3528 69 D 4.3850 7.6201 116.4933 57.9461 41.3168 177.9499 70 H 4.3180 7.8871 115.0720 57.5467 29.9952 177.0046 71 V 3.8571 7.9850 122.3693 62.2128 28.2659 175.4494 *83 I 4.1503 7.3337 122.6062 61.4879 39.7583 179.0747 84 V 3.5863 7.9850 120.8887 66.4086 31.8095 177.4408 85 E 4.1386 8.2708 114.0744 58.9565 30.0032 179.4508 86 E 4.0903 8.2502 120.4897 59.0116 30.0552 178.7442 87 L 4.1685 7.6836 117.1796 55.8396 41.4001 177.7630 *89 E 4.2099 8.2669 119.8978 55.6635 31.2012 177.6573 90 A 3.9168 7.6768 120.2820 54.7733 18.6331 178.6542 91 L 4.1481 7.9076 115.1008 56.7575 42.0750 177.3266 92 K 4.1783 7.4165 122.0206 56.4106 32.0976 176.1868 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 H 8.44 4.77 0.00 3.09 3.46 0.00 5.85 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.61 4.41 0.00 1.67 1.50 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.86 4.54 0.00 3.14 3.19 0.00 5.81 0.00 0.00 0.00 0.00 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.13 4.04 0.00 1.65 1.58 0.94 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.76 4.34 0.00 2.75 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.20 0.00 2.20 2.13 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 11 K 8.67 3.91 0.00 1.81 1.88 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 12 V 7.71 3.64 2.21 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 1.01 0.00 0.00 0.94 0.00 0.00 13 R 8.26 3.84 0.00 2.03 2.09 0.00 3.16 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 14 E 8.81 4.04 0.00 2.05 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 2.51 0.00 15 E 8.23 3.89 0.00 2.28 2.12 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 2.31 2.37 0.00 16 A 8.44 4.01 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 17 R 8.49 3.88 0.00 1.90 2.15 0.00 3.10 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 1.63 1.64 0.00 18 R 7.91 3.87 0.00 2.07 2.08 0.00 3.15 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 1.62 1.67 0.00 19 R 7.99 3.98 0.00 1.92 1.96 0.00 3.17 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 20 L 7.99 4.04 0.00 1.72 1.71 0.92 0.61 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 21 L 7.95 3.85 0.00 1.89 1.72 0.96 0.83 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 22 S 8.17 4.05 0.00 3.97 4.05 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 0.00 0.00 0.00 23 A 8.04 3.99 1.41 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 0.00 0.00 0.00 24 K 8.85 3.96 0.00 1.85 2.07 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.46 7.81 25 G 8.53 3.89 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 0.00 0.00 0.00 26 H 8.58 4.17 0.00 3.40 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.19 4.00 0.00 1.91 1.83 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.51 4.14 0.00 2.20 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 2.33 2.62 0.00 29 G 7.52 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.38 3.84 1.98 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 1.46 0.71 0.90 0.00 0.00 31 L 7.77 4.19 0.00 1.81 1.72 0.92 0.77 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 32 R 7.83 4.12 0.00 2.01 1.92 0.00 3.14 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.91 0.00 *34 L 7.83 4.28 0.00 1.83 1.75 0.92 0.96 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 35 E 8.25 4.29 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 2.44 2.40 0.00 36 D 7.84 4.60 0.00 2.61 2.53 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 37 E 8.79 4.11 0.00 1.89 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 1.87 0.00 38 K 7.74 4.52 0.00 1.77 1.71 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.36 0.99 7.81 39 V 7.29 3.61 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 0.82 0.00 0.00 0.92 0.00 0.00 40 Y 8.11 4.93 0.00 3.29 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 41 C 8.78 4.10 0.00 2.99 3.01 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 42 V 7.89 3.64 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 1.15 0.00 0.00 0.91 0.00 0.00 43 D 8.16 4.38 0.00 2.96 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 44 V 7.63 3.58 2.25 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 1.13 0.00 0.00 0.99 0.00 0.00 45 L 7.90 3.99 0.00 1.89 1.72 0.93 0.90 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 46 K 8.24 3.98 0.00 1.97 1.88 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.77 7.81 47 Q 8.30 4.13 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.68 2.54 0.00 48 L 8.27 4.04 0.00 1.90 1.73 0.93 1.27 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 49 K 8.26 3.97 0.00 1.96 1.87 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.74 1.61 7.81 50 A 7.90 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.88 3.56 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.06 0.00 0.00 52 E 8.48 4.06 0.00 2.26 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 2.34 2.55 0.00 53 G 8.50 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.90 4.03 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 55 L 7.94 3.97 0.00 1.86 1.73 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.28 4.34 0.00 2.91 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.51 3.87 0.00 1.75 2.16 0.00 3.31 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 58 V 7.49 3.85 2.22 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 0.87 0.00 0.00 0.99 0.00 0.00 59 G 8.31 3.82 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 0.00 0.00 0.00 60 E 8.17 4.16 0.00 2.22 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 2.33 2.46 0.00 *62 V 7.75 4.02 2.22 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 0.97 0.00 0.00 1.01 0.00 0.00 63 L 8.52 3.97 0.00 1.82 1.88 0.96 0.86 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 64 R 8.48 3.87 0.00 1.99 1.97 0.00 3.20 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 65 A 7.98 4.00 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 66 H 8.49 4.16 0.00 3.37 3.53 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.31 3.94 0.00 1.88 1.70 0.94 0.87 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 68 K 7.91 3.82 0.00 1.72 1.89 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.70 7.81 69 D 7.62 4.38 0.00 2.65 2.81 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 70 H 7.89 4.32 0.00 3.13 3.30 0.00 5.70 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 71 V 7.99 3.86 2.17 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 0.83 0.00 0.00 0.95 0.00 0.00 *83 I 7.33 4.15 1.83 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 1.29 1.02 0.63 0.00 0.00 84 V 7.98 3.59 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 0.92 0.00 0.00 85 E 8.27 4.14 0.00 2.03 1.86 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 2.23 1.87 0.00 86 E 8.25 4.09 0.00 1.98 1.96 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 2.35 2.28 0.00 87 L 7.68 4.17 0.00 1.84 1.81 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 *89 E 8.27 4.21 0.00 2.16 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 0.00 2.27 2.31 0.00 90 A 7.68 3.92 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 91 L 7.91 4.15 0.00 1.67 1.74 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 92 K 7.42 4.18 0.00 1.79 1.70 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.36 7.81 * Residues marked with a * may have inaccurate shift predictions.