NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -6 I 4.0510 8.0244 121.4458 61.3640 38.5599 174.6759 -5 H 4.3591 8.4970 124.6477 55.0995 30.7570 172.5646 -4 H 4.9153 8.7392 123.2014 54.1568 32.5095 172.9457 -3 H 4.5677 8.9150 122.0266 56.0177 29.2560 175.0587 -2 H 4.8496 8.6527 115.6017 55.4817 30.7738 172.6324 -1 H 4.7578 7.6693 114.7494 54.1963 32.7062 171.2928 0 H 3.6699 8.5461 116.9390 56.5735 25.5437 174.6003 -4 K 4.5053 8.6092 125.4014 55.3568 36.6095 175.4457 -2 R 4.4596 8.4627 117.9017 56.4817 32.6738 174.8324 -1 S 4.4978 7.5593 112.2494 57.4963 67.5062 171.7928 0 Q 3.2799 8.4461 118.5390 57.2735 25.9437 176.5002 7 L 4.1085 7.7910 119.3018 57.5173 41.6757 179.0211 8 L 3.7867 7.7485 119.8742 58.0947 42.0392 178.8565 9 I 3.8026 7.6545 119.2670 64.3360 37.0758 178.1509 10 V 3.6097 7.7927 118.5002 66.1899 31.2997 177.9107 11 L 3.9511 7.7214 117.9897 57.7907 41.4331 179.4184 12 Q 3.9751 8.2894 118.2663 59.2376 28.3627 179.0333 13 E 3.9779 8.3401 119.4692 59.7154 29.2474 179.2007 14 H 4.1085 8.0786 115.4988 58.6831 29.0297 177.5712 15 L 4.1606 8.1456 120.9879 57.7381 41.2330 179.5815 16 R 3.9898 8.0701 117.4967 58.4398 30.1243 177.1088 17 N 5.0067 7.4600 113.7507 52.4545 37.4296 175.8250 18 S 4.1555 7.9010 114.5866 59.9204 63.4408 175.0779 19 G 3.8966 8.2402 108.3867 45.9072 0.0000 172.7979 20 L 4.7099 7.4524 118.2833 52.7307 43.9015 177.3199 21 T 4.3789 8.1165 112.8851 60.8427 71.4686 175.8537 22 Q 4.0092 8.5677 119.5212 59.0622 28.7336 178.7890 23 F 4.2087 8.3384 121.0082 61.6084 39.4452 177.2856 24 K 3.7028 8.0860 117.2289 59.1777 31.7399 179.2788 25 A 3.9684 8.4850 121.4149 55.0032 18.1713 179.5756 26 A 3.9023 7.9357 119.4137 55.0776 18.2080 179.4686 27 E 3.6861 7.4646 116.3427 59.2405 29.7975 178.2802 28 L 4.0401 7.5370 118.8772 58.4065 42.2224 178.7130 29 L 4.2383 8.1606 117.1755 55.1084 41.7430 177.4035 30 G 3.7984 8.1685 106.6068 46.6499 0.0000 173.3495 31 V 4.5046 7.5142 110.9534 58.4577 35.5148 176.0445 32 T 4.2809 8.0314 111.4592 61.4814 70.8006 175.6047 33 Q 4.0572 8.5449 120.4733 58.6851 28.7240 177.1748 34 P 4.2715 0.0000 0.0000 65.4431 31.3381 178.5286 35 R 3.9097 7.9007 117.1804 59.5002 29.8036 178.7717 36 V 3.6476 7.5815 116.7158 65.8657 31.5640 177.4232 37 S 4.2833 8.2111 112.3817 61.7747 62.5389 175.5390 38 D 4.6800 8.5824 121.7645 57.3555 40.5199 178.7795 39 L 3.8317 7.9812 116.5006 56.1549 41.5093 178.2139 *41 R 4.2151 7.8704 114.5224 54.5929 31.7573 175.3803 42 G 3.8213 7.8798 105.7225 46.8165 0.0000 175.5143 43 K 4.4306 8.0544 119.4976 54.4154 30.8530 178.1351 44 I 3.9575 7.7389 115.8360 63.6578 38.3372 178.7352 45 D 4.5756 8.2182 119.6531 55.1353 39.4217 177.1416 46 L 4.2728 7.9373 118.8253 54.7756 42.0814 176.1393 47 F 4.6912 7.9864 118.7076 55.1383 40.9337 176.1864 48 S 4.3105 8.4914 120.9313 57.8901 65.1769 175.1014 49 L 4.0090 8.3434 122.7113 57.7656 41.2780 179.0660 50 E 3.9063 8.2443 118.9134 59.6796 29.2936 178.8123 51 S 4.1839 7.9462 113.7624 61.7202 63.0569 176.7120 52 L 4.1432 7.7762 120.1988 57.9174 41.7328 179.3004 53 I 3.9149 7.8769 119.7411 64.2964 37.0162 179.1710 54 D 4.6135 8.3184 118.4210 54.6057 40.4139 178.6019 *56 I 4.0599 7.7600 121.8864 61.6338 39.2440 178.3141 57 T 4.1414 8.2018 109.9451 64.0732 68.5701 176.2663 58 S 4.2143 8.1722 115.5063 59.7517 63.1105 174.6136 59 I 4.1822 7.8117 113.4685 60.5572 37.5440 176.0616 60 G 3.8718 8.3111 108.2101 46.0134 0.0000 173.7432 61 L 4.4675 7.4988 119.3657 53.1572 42.9712 175.9329 62 K 4.4156 8.3235 121.0775 55.2126 33.2726 176.3758 63 V 4.3659 8.2622 122.7260 60.9049 33.4841 174.3657 64 E 4.6907 8.6969 125.9263 54.4949 32.2213 175.0876 65 I 4.3953 8.3072 123.8423 59.5342 38.9431 174.6349 66 N 4.9725 8.7079 122.4377 51.3655 40.6536 173.8385 67 I 4.5344 8.3063 123.6646 59.3213 39.5328 175.1645 68 K 4.6272 8.4971 125.6468 55.2745 35.6757 176.6202 69 D 4.5488 8.6355 119.3829 53.4517 39.8980 176.2403 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 -6 I 8.02 4.05 1.83 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 1.30 1.06 0.75 0.00 0.00 -5 H 8.50 4.36 0.00 3.07 3.09 0.00 5.86 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 -4 H 8.74 4.92 0.00 3.03 3.02 0.00 5.75 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 H 8.91 4.57 0.00 3.20 3.26 0.00 5.60 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 -2 H 8.65 4.85 0.00 3.10 3.17 0.00 5.64 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 7.67 4.76 0.00 3.15 3.12 0.00 5.85 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 8.55 3.67 0.00 3.27 3.36 0.00 5.93 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 K 8.61 4.51 0.00 1.58 1.61 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.36 7.81 -2 R 8.46 4.46 0.00 1.67 1.77 0.00 2.21 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 -1 S 7.56 4.50 0.00 3.75 3.83 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 0.00 0.00 0.00 0 Q 8.45 3.28 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 7.25 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 7 L 7.79 4.11 0.00 1.69 1.65 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.75 3.79 0.00 1.60 1.75 0.58 0.95 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 I 7.65 3.80 2.04 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.49 0.90 0.00 0.00 10 V 7.79 3.61 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 1.01 0.00 0.00 0.95 0.00 0.00 11 L 7.72 3.95 0.00 1.83 1.62 0.81 0.70 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 12 Q 8.29 3.98 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 13 E 8.34 3.98 0.00 2.01 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 2.31 2.48 0.00 14 H 8.08 4.11 0.00 3.18 3.37 0.00 5.85 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 15 L 8.15 4.16 0.00 1.75 1.71 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.07 3.99 0.00 1.93 1.99 0.00 3.10 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 1.66 1.77 0.00 17 N 7.46 5.01 0.00 2.63 2.84 0.00 0.00 7.03 7.52 0.00 0.00 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 S 7.90 4.16 0.00 4.00 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 0.00 19 G 8.24 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 0.00 0.00 0.00 20 L 7.45 4.71 0.00 1.63 1.57 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.12 4.38 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 22 Q 8.57 4.01 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.90 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 23 F 8.34 4.21 0.00 3.10 3.11 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 24 K 8.09 3.70 0.00 2.05 1.80 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.63 1.67 7.81 25 A 8.49 3.97 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 26 A 7.94 3.90 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.46 3.69 0.00 1.84 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 2.32 2.19 0.00 28 L 7.54 4.04 0.00 1.62 1.84 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.16 4.24 0.00 1.63 1.72 0.92 0.83 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 30 G 8.17 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.51 4.50 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 0.84 0.00 0.00 0.97 0.00 0.00 32 T 8.03 4.28 4.26 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 0.00 0.00 0.00 1.22 0.00 0.00 33 Q 8.54 4.06 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.92 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 34 P 0.00 4.27 0.00 2.17 2.12 0.00 3.56 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 2.13 2.17 0.00 35 R 7.90 3.91 0.00 1.93 2.18 0.00 3.06 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 36 V 7.58 3.65 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 0.88 0.00 0.00 1.02 0.00 0.00 37 S 8.21 4.28 0.00 3.92 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 38 D 8.58 4.68 0.00 3.07 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 39 L 7.98 3.83 0.00 1.82 1.83 0.33 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 *41 R 7.87 4.22 0.00 1.99 2.04 0.00 3.38 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.81 0.00 42 G 7.88 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 43 K 8.05 4.43 0.00 2.13 1.88 0.00 1.90 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.45 7.81 44 I 7.74 3.96 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.67 0.91 0.00 0.00 45 D 8.22 4.58 0.00 2.86 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 46 L 7.94 4.27 0.00 1.47 1.38 0.89 0.72 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 47 F 7.99 4.69 0.00 3.03 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 48 S 8.49 4.31 0.00 4.06 4.06 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.34 4.01 0.00 1.68 1.74 0.83 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.24 3.91 0.00 2.07 1.97 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 2.39 2.61 0.00 51 S 7.95 4.18 0.00 4.19 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 0.00 52 L 7.78 4.14 0.00 1.64 1.70 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.88 3.91 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.83 0.90 0.00 0.00 54 D 8.32 4.61 0.00 2.80 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.76 4.06 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.43 0.86 0.00 0.00 57 T 8.20 4.14 4.23 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 1.23 0.00 0.00 58 S 8.17 4.21 0.00 4.00 4.17 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 59 I 7.81 4.18 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.67 0.89 0.00 0.00 60 G 8.31 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 61 L 7.50 4.47 0.00 1.73 1.53 0.63 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.32 4.42 0.00 1.99 1.72 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.39 0.98 7.81 63 V 8.26 4.37 2.07 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 0.83 0.00 0.00 0.91 0.00 0.00 64 E 8.70 4.69 0.00 2.20 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 2.19 1.85 0.00 65 I 8.31 4.40 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.55 0.91 0.00 0.00 66 N 8.71 4.97 0.00 2.65 2.71 0.00 0.00 6.96 7.45 0.00 0.00 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 I 8.31 4.53 1.87 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 1.41 0.58 0.91 0.00 0.00 68 K 8.50 4.63 0.00 1.95 1.66 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.32 0.96 7.81 69 D 8.64 4.55 0.00 2.69 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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.