NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1339 8.2549 117.2596 54.9326 30.9345 175.2968 2 P 4.0955 0.0000 0.0000 61.7559 32.1270 175.8075 3 D 4.4063 8.5304 121.3794 57.3805 41.6700 178.8062 4 F 4.4480 8.0167 114.4761 59.7903 37.5982 177.9355 5 C 4.5912 7.5912 116.5493 59.3364 39.9916 174.8025 6 L 4.3348 7.8112 118.3168 54.2456 41.9279 176.6681 7 E 4.4145 7.4380 119.3184 54.6561 30.4530 174.8341 8 P 4.4557 0.0000 0.0000 61.6308 32.1518 174.5177 9 P 3.8844 0.0000 0.0000 62.6349 31.6549 175.1355 10 Y 4.6191 7.7750 119.5219 56.1095 41.1511 176.3089 11 T 3.9888 8.2498 124.6590 65.1928 68.8901 175.9497 12 G 4.0197 6.6974 105.7188 44.0609 0.0000 170.9945 13 P 4.4219 0.0000 0.0000 63.5160 31.7684 177.0863 14 C 4.5319 7.7483 117.2582 56.7938 41.0563 173.7310 15 K 4.2550 8.2059 118.0753 56.2359 32.0586 176.5396 16 A 4.2188 7.9656 123.0000 51.6521 20.0474 177.6171 17 R 4.6904 8.0977 116.8536 54.3257 30.1694 173.8250 18 I 4.3012 8.3631 121.9660 59.5989 39.4478 175.0734 19 I 4.3059 8.2817 128.5278 60.9992 37.7537 175.5032 20 R 4.8113 8.4775 125.2281 54.5931 34.6385 173.8631 21 Y 5.5453 9.4098 118.4508 56.7565 40.8977 175.1038 22 F 5.6978 9.2603 116.3020 55.5904 42.0593 172.6757 23 Y 4.4168 9.6632 123.0404 57.2430 39.6478 174.3763 24 N 4.5723 7.7912 126.0093 51.5732 39.3181 175.0241 25 A 3.7122 8.3746 130.1321 54.6380 19.0017 178.6752 26 K 4.0015 8.1298 116.1302 59.4075 32.4085 177.7944 27 A 4.0219 7.8156 120.0066 52.7593 18.7063 178.3384 28 G 3.9052 8.3300 102.9549 45.8105 0.0000 172.6984 29 L 4.9050 6.9153 117.9429 52.9869 46.8200 175.6122 30 C 5.0320 8.6844 117.4806 56.5326 42.6755 173.2774 31 Q 4.8739 8.3845 121.2243 54.2762 32.7272 174.4460 32 T 5.1177 8.4005 110.3700 60.9335 71.0322 173.6177 33 F 5.0029 8.8025 116.4767 55.7584 42.0865 173.1129 34 V 4.2366 8.3278 119.7249 61.9323 32.3327 174.1347 35 Y 4.7929 8.9023 130.6131 56.0272 40.3978 176.4198 36 G 3.7503 8.0436 113.0577 46.1155 0.0000 175.0271 37 G 3.8681 6.8260 107.3046 45.1914 0.0000 172.1132 38 C 4.9007 6.9479 112.0404 54.8135 44.5066 173.0252 39 R 3.8374 8.7938 115.7855 57.0964 27.0902 176.9484 40 A 4.3128 8.3710 118.8338 52.4557 19.0475 178.0681 41 K 4.4030 8.1853 119.7408 54.6343 34.1388 177.4009 42 R 3.4540 8.0139 118.6031 58.8736 30.3136 177.7025 43 N 4.8389 7.7197 117.8421 51.2589 37.3695 173.7861 44 N 5.0328 6.6352 116.3515 52.7830 41.4188 173.1966 45 F 5.0493 9.3323 124.6155 55.5728 42.6636 176.6192 46 K 4.4141 8.9199 122.5978 58.6189 32.6863 177.6555 47 S 4.3927 7.7647 112.3162 55.4523 67.3120 174.5580 48 A 3.4767 7.1595 123.8987 54.9577 18.0297 179.9456 49 E 3.7455 7.7521 116.5771 59.6664 29.5192 178.9928 50 D 4.3086 7.8494 118.8069 57.4634 40.8262 178.1483 51 C 2.4500 7.6478 118.4104 59.4603 44.1270 175.6432 52 M 3.8386 8.2748 120.5070 58.3390 31.2957 179.0229 53 R 3.9110 8.2332 117.5578 58.7004 30.1750 178.6398 54 T 4.1985 7.1681 114.7413 65.3820 69.2607 175.1147 55 C 4.2488 7.8269 115.1084 56.5463 41.4664 174.2639 56 G 3.5116 7.3319 108.9940 44.8459 0.0000 174.0518 *57 G 3.7078 8.3855 107.0366 45.7152 0.0000 172.8919 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 1 R 8.25 4.13 0.00 1.66 1.83 0.00 2.91 0.00 0.00 2.95 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.49 0.00 2 P 0.00 4.10 0.00 1.09 1.82 0.00 3.20 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.03 0.00 3 D 8.53 4.41 0.00 2.75 2.76 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 4 F 8.02 4.45 0.00 3.24 3.38 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 5 C 7.59 4.59 0.00 2.91 3.13 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 6 L 7.81 4.33 0.00 1.77 1.76 1.04 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.44 4.41 0.00 2.22 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 2.37 2.33 0.00 8 P 0.00 4.46 0.00 2.09 2.02 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 9 P 0.00 3.88 0.00 0.49 0.49 0.00 3.29 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.44 0.00 10 Y 7.78 4.62 0.00 2.98 2.87 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 11 T 8.25 3.99 4.09 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 1.18 0.00 0.00 12 G 6.70 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 13 P 0.00 4.42 0.00 2.18 2.19 0.00 3.80 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 14 C 7.75 4.53 0.00 2.86 2.96 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 K 8.21 4.25 0.00 1.67 1.76 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.35 7.81 16 A 7.97 4.22 1.15 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 0.00 0.00 17 R 8.10 4.69 0.00 1.60 1.78 0.00 3.16 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 18 I 8.36 4.30 2.03 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.89 0.98 0.00 0.00 19 I 8.28 4.31 1.80 0.00 0.00 0.78 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 0.68 0.70 0.00 0.00 20 R 8.48 4.81 0.00 0.95 1.81 0.00 3.47 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 21 Y 9.41 5.55 0.00 3.15 3.05 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 22 F 9.26 5.70 0.00 3.38 3.10 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 0.00 0.00 0.00 0.00 23 Y 9.66 4.42 0.00 2.97 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 24 N 7.79 4.57 0.00 2.24 2.43 0.00 0.00 6.68 7.12 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 25 A 8.37 3.71 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 26 K 8.13 4.00 0.00 1.71 1.94 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.43 7.81 27 A 7.82 4.02 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 28 G 8.33 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 29 L 6.92 4.90 0.00 1.45 1.47 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.68 5.03 0.00 2.88 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 31 Q 8.38 4.87 0.00 1.69 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.72 0.00 0.00 0.00 0.00 0.00 2.20 2.05 0.00 32 T 8.40 5.12 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 0.62 0.00 0.00 33 F 8.80 5.00 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.33 4.24 2.05 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 0.69 0.00 0.00 0.89 0.00 0.00 35 Y 8.90 4.79 0.00 2.51 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.04 3.75 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 0.00 0.00 0.00 37 G 6.83 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 38 C 6.95 4.90 0.00 3.06 2.98 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 39 R 8.79 3.84 0.00 2.16 2.26 0.00 3.26 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 40 A 8.37 4.31 1.02 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 41 K 8.19 4.40 0.00 1.72 1.64 0.00 1.52 0.00 0.00 1.49 0.00 0.00 2.13 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.12 1.07 7.81 42 R 8.01 3.45 0.00 0.89 0.66 0.00 2.63 0.00 0.00 2.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.28 0.00 43 N 7.72 4.84 0.00 3.19 2.89 0.00 0.00 6.69 7.79 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 44 N 6.64 5.03 0.00 2.67 2.59 0.00 0.00 7.08 7.02 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 45 F 9.33 5.05 0.00 3.32 2.96 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 46 K 8.92 4.41 0.00 1.84 1.96 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.49 7.81 47 S 7.76 4.39 0.00 3.99 3.86 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 0.00 0.00 0.00 48 A 7.16 3.48 0.98 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 0.00 0.00 49 E 7.75 3.75 0.00 1.98 1.93 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 2.34 2.37 0.00 50 D 7.85 4.31 0.00 2.92 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.65 2.45 0.00 2.81 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 52 M 8.27 3.84 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.76 0.00 53 R 8.23 3.91 0.00 1.70 1.94 0.00 3.17 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 54 T 7.17 4.20 4.10 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 0.00 0.00 0.00 1.48 0.00 0.00 55 C 7.83 4.25 0.00 2.68 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 0.00 0.00 0.00 0.00 56 G 7.33 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.39 3.71 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.