NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 D 4.5772 8.3649 120.3184 53.3282 41.3936 175.9672 12 H 4.3175 8.1452 114.5160 53.8878 29.2863 173.7246 13 R 4.2885 8.4683 117.6979 55.0434 31.4891 176.0521 14 L 4.8352 8.1707 119.5149 53.9508 42.4407 177.5829 15 T 4.2383 8.3777 112.5495 61.3437 70.8583 175.2672 16 D 4.5351 8.6490 120.2930 57.6887 40.7435 179.0105 17 R 3.9552 8.0596 118.5133 59.6377 30.1581 178.0550 18 E 4.0528 8.2936 118.2586 59.2922 29.4027 179.5744 19 W 4.0985 8.3587 118.7108 59.6795 29.2137 178.3169 20 A 4.3307 8.5052 120.8486 55.3846 17.7423 179.4271 21 E 3.9544 8.5506 117.1593 59.6344 29.6109 179.2331 22 E 3.8921 8.1545 118.4071 59.5962 29.5282 179.7750 23 W 4.3428 8.2831 118.5692 59.4892 29.0178 178.6565 24 K 4.0731 8.4264 119.9757 59.7005 31.6184 178.3309 25 H 4.2491 8.7473 119.0504 59.1836 29.7391 177.2807 26 L 3.9039 7.9749 120.7274 57.8036 41.4344 178.8206 27 D 4.3831 8.3956 118.0576 57.6983 41.0740 177.6751 28 H 4.0962 8.5767 118.8451 59.4013 29.8334 177.0745 29 L 3.9777 7.9761 120.5871 57.9281 41.2445 179.5982 30 L 4.0373 7.8775 117.6931 57.7340 41.5868 178.9305 31 N 4.4632 8.1947 115.8739 56.5361 38.5633 176.7194 32 C 4.2530 8.0538 117.2506 62.8419 28.2453 176.9331 33 I 3.7484 7.2952 117.0107 62.1645 36.9283 176.2281 *35 D 4.4018 7.8773 117.9408 54.3352 42.4748 177.5163 *37 V 3.9674 7.7197 121.1284 62.9474 33.2931 177.0908 38 E 4.0143 7.9423 119.1373 58.5715 29.4524 178.3591 39 K 3.9968 8.4132 120.4802 59.5788 32.1941 178.8521 40 T 3.8655 7.7952 115.6985 66.7522 68.2875 176.6047 41 R 3.9507 8.1891 119.9906 59.2442 29.7541 179.4128 42 R 3.9769 8.1301 117.8752 59.2533 30.3116 178.9852 43 S 4.2236 8.2328 115.0194 61.8232 62.7099 176.9104 44 L 4.0861 8.1658 121.4927 57.7031 41.1974 179.6062 45 T 3.8401 7.6566 116.0541 66.7072 68.4262 176.7873 46 V 3.6068 7.4306 118.7716 65.8640 31.4447 177.8472 47 L 3.9823 7.9029 119.8543 57.8382 41.8680 178.7559 48 R 3.8577 8.2808 119.1247 59.3156 30.1247 178.1692 49 R 3.8710 7.7299 118.2034 59.9805 30.1549 178.1696 50 C 4.1452 8.1683 116.1804 62.8628 28.0011 176.0289 51 Q 3.9681 8.4131 121.5988 59.1561 28.7047 177.8130 52 E 3.8975 8.6750 120.5802 59.0514 29.6133 178.7095 53 A 3.9955 7.8424 120.7564 55.1026 18.3699 179.3709 54 D 4.3324 8.0006 116.9474 57.5501 40.8045 179.0416 55 R 3.9417 8.2161 118.7829 59.6141 30.1760 178.9935 56 E 4.0636 8.3276 117.9041 58.8941 29.5460 178.9237 57 E 3.8574 8.3379 119.8371 58.8957 29.7038 178.2766 58 L 4.1532 8.2736 120.7045 58.6679 42.1328 178.9230 59 N 4.4447 8.0673 116.2838 56.2340 38.3525 176.7646 60 Y 4.0514 7.9191 120.9850 60.6417 38.7828 178.4092 61 W 4.1188 8.1585 119.2828 59.6221 29.0962 178.4507 62 I 3.7935 8.0195 119.8812 64.7988 36.5563 178.7035 63 R 3.9447 8.0913 118.5348 59.3101 29.9031 179.3441 64 R 3.8271 8.0239 118.0593 59.1139 29.7278 178.4738 65 Y 4.0094 8.1802 118.8517 60.8558 39.1728 177.8689 66 S 4.2925 8.4513 116.2813 61.8583 62.7741 176.1841 67 D 4.3070 8.2274 119.3115 57.4096 41.0053 177.8906 68 A 3.9688 7.7740 119.2041 52.6597 18.4836 177.1445 69 E 4.0135 7.7184 121.6293 56.7331 30.0533 174.2047 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 11 D 8.36 4.58 0.00 2.78 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 12 H 8.15 4.32 0.00 3.21 3.38 0.00 5.89 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.47 4.29 0.00 2.00 1.97 0.00 3.11 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 14 L 8.17 4.84 0.00 0.79 1.28 -0.52 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.38 4.24 4.28 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 1.21 0.00 0.00 16 D 8.65 4.54 0.00 2.79 2.86 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 17 R 8.06 3.96 0.00 1.91 1.95 0.00 3.21 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.77 0.00 18 E 8.29 4.05 0.00 2.16 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 19 W 8.36 4.10 0.00 3.75 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.51 4.33 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.55 3.95 0.00 2.18 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 0.00 2.35 2.45 0.00 22 E 8.15 3.89 0.00 2.02 1.63 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 2.23 2.04 0.00 23 W 8.28 4.34 0.00 3.53 3.27 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 0.00 24 K 8.43 4.07 0.00 1.99 2.07 0.00 1.60 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.56 7.81 25 H 8.75 4.25 0.00 3.23 3.53 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.97 3.90 0.00 2.08 1.81 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.40 4.38 0.00 2.99 2.92 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 0.00 0.00 0.00 28 H 8.58 4.10 0.00 3.33 3.54 0.00 5.84 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 29 L 7.98 3.98 0.00 2.00 1.70 0.98 0.57 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 30 L 7.88 4.04 0.00 1.80 1.74 0.96 0.96 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 31 N 8.19 4.46 0.00 2.78 2.87 0.00 0.00 7.07 8.37 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 32 C 8.05 4.25 0.00 3.10 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 33 I 7.30 3.75 2.02 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 1.52 0.55 0.91 0.00 0.00 *35 D 7.88 4.40 0.00 2.92 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 *37 V 7.72 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 0.96 0.00 0.00 0.98 0.00 0.00 38 E 7.94 4.01 0.00 2.12 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 2.37 2.42 0.00 39 K 8.41 4.00 0.00 1.97 1.81 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 40 T 7.80 3.87 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 1.21 0.00 0.00 41 R 8.19 3.95 0.00 2.14 1.98 0.00 3.12 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 42 R 8.13 3.98 0.00 1.84 1.97 0.00 3.30 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.81 0.00 43 S 8.23 4.22 0.00 4.00 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 44 L 8.17 4.09 0.00 1.85 1.71 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.66 3.84 4.39 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 1.21 0.00 0.00 46 V 7.43 3.61 2.24 0.00 0.00 0.00 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 0.93 0.00 0.00 47 L 7.90 3.98 0.00 1.90 1.78 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.28 3.86 0.00 1.90 2.07 0.00 3.17 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 49 R 7.73 3.87 0.00 1.88 2.10 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 50 C 8.17 4.15 0.00 3.13 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 51 Q 8.41 3.97 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 52 E 8.68 3.90 0.00 2.13 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 2.30 2.37 0.00 53 A 7.84 4.00 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 54 D 8.00 4.33 0.00 3.01 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 55 R 8.22 3.94 0.00 1.98 2.01 0.00 3.13 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 56 E 8.33 4.06 0.00 1.97 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 2.57 2.44 0.00 57 E 8.34 3.86 0.00 2.12 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 0.00 2.59 2.18 0.00 58 L 8.27 4.15 0.00 1.88 2.02 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.07 4.44 0.00 2.93 2.89 0.00 0.00 6.70 7.32 0.00 0.00 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 Y 7.92 4.05 0.00 2.95 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 61 W 8.16 4.12 0.00 3.52 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 62 I 8.02 3.79 2.16 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 1.55 0.84 0.96 0.00 0.00 63 R 8.09 3.94 0.00 1.81 1.94 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.98 0.00 64 R 8.02 3.83 0.00 1.73 1.92 0.00 2.21 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.00 0.00 65 Y 8.18 4.01 0.00 3.07 3.16 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 66 S 8.45 4.29 0.00 3.92 3.94 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 0.00 0.00 0.00 67 D 8.23 4.31 0.00 2.58 2.79 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 0.00 0.00 0.00 68 A 7.77 3.97 1.21 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 0.00 0.00 69 E 7.72 4.01 0.00 2.06 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 2.38 0.00 * Residues marked with a * may have inaccurate shift predictions.