NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *60 H 4.7409 8.3027 117.3740 54.7715 30.2903 175.1842 61 D 4.2713 7.9449 119.2085 56.7784 41.0162 176.4030 62 D 4.4625 8.3949 119.2302 56.5603 41.6051 177.7305 63 A 4.0959 7.8909 121.5354 55.1665 18.5790 179.2805 64 L 3.9256 7.6543 115.6239 58.0534 41.8517 180.0039 65 L 4.0500 7.7085 117.8855 57.4070 41.5000 178.9668 66 N 4.3867 8.2755 117.5483 56.7725 38.8464 177.1560 67 T 3.9044 7.8376 116.8383 66.2070 68.5093 176.1640 68 L 3.8881 8.0870 122.1431 58.1698 42.1582 178.6810 69 A 3.9987 7.7761 120.1014 55.4730 18.3405 179.7067 70 I 3.6547 7.8300 117.9756 64.5706 37.1111 178.7312 71 L 4.1718 8.3326 120.2782 57.6207 41.3047 179.2699 72 Q 3.9393 8.4787 119.9924 59.2846 28.9407 178.5999 73 K 3.9375 8.0017 119.3665 59.5596 32.0622 179.2177 74 E 3.9373 8.1560 118.6613 59.0965 29.2855 178.8335 75 L 3.9010 8.1078 120.6304 58.3586 42.1063 179.1504 76 K 3.8881 8.2344 118.2923 59.5729 32.0510 179.1491 77 S 4.0759 8.3435 113.4947 61.5102 62.4369 176.4886 78 K 4.0312 8.5458 121.4958 59.4857 31.9095 179.2876 79 E 4.0546 8.5408 119.0988 59.0650 29.2882 179.1266 80 Q 3.9843 8.1160 120.1151 59.0000 29.0593 177.6457 81 E 3.9462 8.1899 120.3451 59.2283 29.6855 178.9214 82 I 3.7268 7.6350 119.8345 64.0683 37.0584 178.3535 83 R 3.8615 7.8097 119.3115 59.3127 29.8774 178.5932 84 R 3.8530 8.1302 118.5194 59.5502 30.1677 178.3663 85 L 3.9943 8.1158 118.8978 57.9376 41.4597 179.7842 86 K 4.0697 8.0765 118.1548 59.0719 31.8513 179.1110 87 E 3.9363 7.9447 119.7004 58.9686 29.4918 178.7473 88 V 3.5728 8.1091 118.7808 66.3520 31.5664 178.1332 89 I 3.6814 7.7640 119.0271 64.2806 36.9785 178.3524 90 A 4.0768 7.7715 121.6119 54.9332 18.1200 179.4644 91 L 3.9792 8.2902 119.2322 57.8562 42.0177 179.4717 92 K 3.9965 8.2752 118.8060 59.5813 32.1538 178.8729 93 N 4.3280 8.5918 119.5999 57.0940 38.4203 178.2734 94 K 4.0507 8.0266 124.6641 59.7414 31.7622 181.6076 95 N 4.5431 7.9144 118.0021 56.5877 38.3949 177.5294 96 T 3.8649 8.2132 117.3569 66.5404 68.4612 176.2636 97 E 3.8744 7.9291 120.6717 59.3650 29.7633 178.7502 98 R 3.9031 8.0008 118.7175 59.4068 30.0777 178.4915 99 L 3.9630 8.2819 119.0479 58.0122 41.8145 179.2733 100 N 4.3909 8.4183 116.5919 56.2436 38.4113 177.3047 101 D 4.3533 8.1337 120.4251 57.5298 40.9863 178.6980 102 E 4.0037 8.2027 119.0678 59.2575 28.8693 179.2097 103 L 4.0247 8.0048 120.4783 57.9628 42.1504 179.1356 104 I 3.7993 7.6044 119.8351 64.2583 37.0626 178.2979 105 S 4.2286 8.1671 114.2398 61.1623 61.9034 176.2038 106 G 3.7351 8.2808 107.8510 47.1753 0.0000 175.8863 107 T 4.0343 7.5611 117.4152 66.5572 68.7205 177.0971 108 I 3.7993 7.7467 121.6532 64.0997 37.0415 178.0922 109 E 3.9619 8.2276 120.4909 59.3461 29.4431 178.6455 110 N 4.5134 7.9565 116.1412 56.1301 38.4856 177.1538 111 N 4.4188 8.0962 117.7109 55.8567 38.7019 177.5822 112 V 3.6220 7.7977 119.7566 65.4402 31.6695 177.7284 113 L 4.3488 7.6221 119.6418 57.5772 41.3693 179.3944 114 Q 4.2436 8.4901 122.5375 59.7989 27.8584 181.5928 115 Q 4.5952 7.7068 121.3590 59.9351 28.7572 184.0174 116 K 4.3628 7.4395 122.0352 60.0289 31.9435 183.0312 117 L 4.3736 7.6847 121.3568 58.2666 41.7914 178.1267 118 S 4.3315 7.4614 116.9497 58.5652 62.1951 175.8919 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 *60 H 8.30 4.74 0.00 2.85 3.14 0.00 7.15 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 61 D 7.94 4.27 0.00 2.86 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 62 D 8.39 4.46 0.00 2.67 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 63 A 7.89 4.10 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.65 3.93 0.00 1.79 1.74 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.71 4.05 0.00 1.92 1.71 0.96 0.51 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 66 N 8.28 4.39 0.00 2.88 2.97 0.00 0.00 7.07 6.75 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 67 T 7.84 3.90 4.38 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 1.21 0.00 0.00 68 L 8.09 3.89 0.00 1.71 1.87 0.92 1.10 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 69 A 7.78 4.00 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 70 I 7.83 3.65 2.01 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 1.19 0.91 0.00 0.00 71 L 8.33 4.17 0.00 1.80 1.71 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.48 3.94 0.00 2.13 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 73 K 8.00 3.94 0.00 2.04 1.85 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.49 7.81 74 E 8.16 3.94 0.00 2.17 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 2.57 0.00 75 L 8.11 3.90 0.00 1.86 1.94 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.23 3.89 0.00 2.01 1.85 0.00 1.61 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.50 7.81 77 S 8.34 4.08 0.00 3.95 4.04 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 78 K 8.55 4.03 0.00 1.92 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.62 7.81 79 E 8.54 4.05 0.00 2.00 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 2.63 0.00 80 Q 8.12 3.98 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 81 E 8.19 3.95 0.00 2.15 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 2.30 2.39 0.00 82 I 7.64 3.73 2.05 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 1.03 0.91 0.00 0.00 83 R 7.81 3.86 0.00 2.10 2.04 0.00 3.09 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 1.62 1.63 0.00 84 R 8.13 3.85 0.00 1.92 2.06 0.00 3.16 0.00 0.00 3.34 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 85 L 8.12 3.99 0.00 1.91 1.71 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.08 4.07 0.00 1.99 1.85 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.56 7.81 87 E 7.94 3.94 0.00 2.06 2.15 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 2.30 2.35 0.00 88 V 8.11 3.57 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.96 0.00 0.00 89 I 7.76 3.68 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 1.45 0.50 0.91 0.00 0.00 90 A 7.77 4.08 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 8.29 3.98 0.00 2.04 1.67 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.28 4.00 0.00 1.98 1.83 0.00 1.74 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 1.46 1.66 7.81 93 N 8.59 4.33 0.00 2.89 2.89 0.00 0.00 7.22 6.75 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 94 K 8.03 4.05 0.00 1.80 1.81 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 95 N 7.91 4.54 0.00 2.87 2.89 0.00 0.00 7.03 6.93 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 96 T 8.21 3.86 4.44 0.00 0.00 0.00 0.00 0.00 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 97 E 7.93 3.87 0.00 2.24 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 2.30 2.46 0.00 98 R 8.00 3.90 0.00 1.93 2.07 0.00 3.15 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 1.63 1.68 0.00 99 L 8.28 3.96 0.00 2.03 1.70 0.95 0.57 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 0.00 100 N 8.42 4.39 0.00 2.84 2.87 0.00 0.00 7.10 8.87 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 0.00 101 D 8.13 4.35 0.00 2.89 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 0.00 102 E 8.20 4.00 0.00 2.18 2.00 0.00 0.00 0.00 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 2.55 0.00 103 L 8.00 4.02 0.00 1.88 1.81 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.60 3.80 2.03 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 1.03 0.91 0.00 0.00 105 S 8.17 4.23 0.00 3.91 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.28 3.74 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 0.00 0.00 0.00 107 T 7.56 4.03 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 108 I 7.75 3.80 1.99 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 1.31 0.91 0.00 0.00 109 E 8.23 3.96 0.00 2.09 2.10 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 2.30 2.39 0.00 110 N 7.96 4.51 0.00 2.91 2.84 0.00 0.00 7.02 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.10 4.42 0.00 2.90 2.86 0.00 0.00 6.56 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.80 3.62 2.27 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 1.03 0.00 0.00 1.03 0.00 0.00 113 L 7.62 4.35 0.00 1.90 1.68 0.92 0.78 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 0.00 114 Q 8.49 4.24 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.66 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 115 Q 7.71 4.60 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 116 K 7.44 4.36 0.00 1.91 1.75 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.35 7.81 117 L 7.68 4.37 0.00 1.78 1.75 0.92 0.73 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 0.00 118 S 7.46 4.33 0.00 3.67 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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.