NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.4406 0.0000 0.0000 61.7112 32.4493 176.1417 5 I 3.9000 8.1864 124.6750 59.4556 37.8902 172.2522 6 E 4.2479 9.3927 124.8707 55.8504 30.7836 176.0418 7 L 4.7037 8.2525 124.3484 53.2317 43.4125 177.3767 8 S 4.4145 8.7501 117.6797 57.9380 65.0867 175.3779 9 L 4.0556 8.4402 123.9993 58.2522 41.8386 178.8246 10 E 3.9711 8.1792 117.1644 59.7030 29.4781 179.0873 11 Q 4.0512 8.0534 118.5484 58.6297 28.7360 178.6494 12 Q 4.0618 8.4531 119.2943 59.1069 28.7337 179.0386 13 F 3.9534 8.5448 118.6986 60.6468 38.9804 178.0021 14 S 4.2296 8.2793 114.8404 61.6936 62.6343 176.8894 15 I 3.8505 8.0070 122.5697 64.2569 36.9117 178.3178 16 R 3.8758 8.1544 119.6337 59.6779 29.3601 178.6490 17 S 4.1518 8.3252 114.9239 61.6582 62.8311 176.5981 18 F 4.2390 8.4600 123.0840 61.1837 39.0949 177.0586 19 A 3.8143 8.5390 120.9034 55.3323 17.8861 179.5495 20 T 3.7237 7.5238 113.2638 66.8981 68.9536 176.4174 21 Q 3.9971 7.5052 118.8388 58.9590 28.5460 179.0574 22 V 3.2410 6.9513 117.8470 65.8036 31.6282 177.7677 23 Q 4.1157 7.9342 115.5169 57.5830 29.7149 176.7741 24 N 4.4623 7.3936 120.2855 51.7340 37.2699 174.1896 *26 S 4.2633 7.5313 117.1543 57.7393 66.0815 174.1476 27 H 4.1080 8.5560 119.8777 59.8117 29.4617 176.6828 28 D 4.3670 8.0672 119.9624 57.4699 40.7210 178.5546 29 Q 4.0805 8.0887 117.9636 58.9375 28.6698 178.8832 30 A 4.0557 8.0839 121.7833 54.9162 18.3778 179.8601 31 K 3.9562 8.0830 116.9025 59.8083 32.3221 179.2856 32 D 4.4062 8.2535 119.1055 57.4711 40.6679 178.7533 33 F 4.0574 8.5807 121.2461 61.1186 39.3871 177.0000 34 L 4.1807 8.2209 120.2652 58.0645 41.8858 179.1636 35 V 3.7096 7.8063 118.1087 65.7838 31.5276 177.9819 36 K 3.9322 7.9979 119.1211 59.3508 31.7625 178.6169 37 L 3.9979 8.1270 120.2322 58.1295 42.1157 177.9703 38 Y 4.2026 8.0295 118.7634 60.5481 39.0334 177.1152 39 E 4.0329 8.2411 120.2976 59.1659 29.7078 180.0905 40 Q 4.1998 7.9689 119.2599 55.9872 29.1138 178.1783 *42 V 3.7970 7.7989 119.1824 62.4079 33.6305 177.2398 43 V 3.5364 7.8315 118.8223 66.2489 31.2877 178.2190 44 R 3.7396 8.0763 117.7729 59.0518 29.8551 178.6840 45 E 4.0670 8.1425 118.4632 59.3347 29.8712 178.6160 46 A 4.1773 8.1267 120.8096 55.3216 18.3739 179.7893 47 T 3.7497 7.8421 114.2705 67.1134 68.5630 176.5942 48 Y 4.2444 7.9472 118.5713 61.1184 37.8376 178.3715 49 Q 4.0936 8.3356 119.1227 59.0815 28.7945 178.7627 50 E 3.9823 8.1920 119.8000 59.2271 29.5011 178.7272 51 L 4.0656 7.9432 118.0982 57.8034 41.5526 179.2254 52 L 4.4045 8.2274 121.4906 58.2333 41.4624 180.1668 53 K 4.3954 8.2588 125.3400 59.3410 32.9686 180.3224 *54 H 4.8921 7.6223 116.9017 51.4625 26.5049 176.8666 55 Q 4.5750 7.5439 132.0379 56.1212 32.2061 174.3022 56 W 4.4851 7.8375 119.7190 56.8116 29.2092 176.2499 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 4 P 0.00 4.44 0.00 2.11 1.92 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.62 0.00 5 I 8.19 3.90 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 1.42 0.57 0.92 0.00 0.00 6 E 9.39 4.25 0.00 1.96 1.91 0.00 0.00 0.00 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 2.27 0.00 7 L 8.25 4.70 0.00 1.65 1.61 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.75 4.41 0.00 4.07 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 9 L 8.44 4.06 0.00 1.83 1.73 1.15 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.18 3.97 0.00 2.21 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 2.37 2.42 0.00 11 Q 8.05 4.05 0.00 2.33 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 12 Q 8.45 4.06 0.00 2.42 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.64 0.00 13 F 8.54 3.95 0.00 3.25 3.14 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 0.00 0.00 0.00 14 S 8.28 4.23 0.00 4.08 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 0.00 15 I 8.01 3.85 1.98 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.67 0.97 0.00 0.00 16 R 8.15 3.88 0.00 1.79 1.99 0.00 2.95 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 17 S 8.33 4.15 0.00 4.17 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 18 F 8.46 4.24 0.00 3.17 3.20 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 0.00 0.00 0.00 0.00 19 A 8.54 3.81 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 20 T 7.52 3.72 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 1.17 0.00 0.00 21 Q 7.51 4.00 0.00 1.89 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 22 V 6.95 3.24 1.69 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 0.65 0.00 0.00 -0.10 0.00 0.00 23 Q 7.93 4.12 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.03 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 24 N 7.39 4.46 0.00 2.84 2.77 0.00 0.00 6.94 6.84 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 *26 S 7.53 4.26 0.00 4.09 4.07 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 0.00 0.00 0.00 0.00 27 H 8.56 4.11 0.00 3.22 3.32 0.00 5.69 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 28 D 8.07 4.37 0.00 2.74 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 29 Q 8.09 4.08 0.00 2.38 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 30 A 8.08 4.06 1.40 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 0.00 0.00 0.00 31 K 8.08 3.96 0.00 2.02 1.90 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.71 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.74 7.81 32 D 8.25 4.41 0.00 2.91 2.75 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 33 F 8.58 4.06 0.00 3.31 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 34 L 8.22 4.18 0.00 2.14 1.95 1.04 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.81 3.71 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 0.99 0.00 0.00 0.96 0.00 0.00 36 K 8.00 3.93 0.00 1.81 1.71 0.00 1.61 0.00 0.00 1.46 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.22 1.35 7.81 37 L 8.13 4.00 0.00 2.00 1.89 0.96 1.34 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 38 Y 8.03 4.20 0.00 3.10 3.17 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 0.00 0.00 0.00 0.00 39 E 8.24 4.03 0.00 2.13 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 0.00 2.27 2.30 0.00 40 Q 7.97 4.20 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.16 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 *42 V 7.80 3.80 2.01 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 0.83 0.00 0.00 0.40 0.00 0.00 43 V 7.83 3.54 2.01 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 0.91 0.00 0.00 0.90 0.00 0.00 44 R 8.08 3.74 0.00 2.00 1.94 0.00 3.13 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 45 E 8.14 4.07 0.00 2.09 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 2.39 2.60 0.00 46 A 8.13 4.18 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.84 3.75 4.16 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 1.00 0.00 0.00 48 Y 7.95 4.24 0.00 3.02 2.90 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 49 Q 8.34 4.09 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 50 E 8.19 3.98 0.00 2.08 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 2.32 2.35 0.00 51 L 7.94 4.07 0.00 1.94 1.82 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.23 4.40 0.00 2.00 1.85 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.26 4.40 0.00 1.87 1.73 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.32 7.81 *54 H 7.62 4.89 0.00 2.94 2.91 0.00 7.25 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 7.54 4.57 0.00 2.06 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.88 0.00 0.00 0.00 0.00 0.00 1.85 2.06 0.00 56 W 7.84 4.49 0.00 3.30 3.09 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.