NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 51 Q 5.1214 7.7674 121.1083 56.6615 31.3872 174.3942 52 G 4.1366 7.6698 109.5929 45.9056 0.0000 171.8630 53 F 5.6523 9.4838 126.3440 56.0783 43.4249 172.0418 54 A 4.9179 8.6896 118.0316 51.6064 23.2165 175.9343 55 V 4.6280 8.7283 120.9470 61.2643 33.7598 174.2248 56 L 5.2322 8.8895 131.9011 53.3874 43.8767 175.1599 57 S 5.1664 9.0821 121.6564 56.8908 66.3323 172.5809 58 Y 5.0515 7.5975 118.6654 56.5162 41.7975 173.0249 59 V 5.1714 9.3975 120.5340 61.6881 35.1576 173.7043 60 Y 5.3890 8.2141 123.9078 56.4390 41.7215 174.0552 61 E 4.4307 8.8606 118.9741 56.7918 30.4638 178.3489 62 H 4.0476 9.1873 128.2766 59.0469 30.1174 177.2620 63 E 4.0259 8.2326 115.9832 58.6456 29.8242 178.5930 64 K 4.0272 7.4746 120.8327 55.5394 30.5355 181.2998 65 R 3.9240 8.2797 123.6316 56.0160 29.0584 173.9284 *79 H 4.7208 8.2880 124.4265 54.1234 30.9495 176.1098 80 D 4.4218 8.0426 124.4625 55.6549 40.7952 180.5469 81 L 4.6804 7.7370 116.9014 56.3352 42.6746 177.0225 82 S 4.6258 9.9459 114.6985 58.1893 62.5877 173.1750 83 V 4.3029 8.3855 126.2524 63.7765 32.8439 175.3014 84 A 4.5615 7.4009 118.5891 51.7553 22.2923 174.8515 85 T 5.0865 8.5276 115.0382 61.8025 72.5746 173.1920 86 L 4.7474 9.0889 127.9963 53.7114 44.4600 174.5891 87 H 5.3397 8.7773 122.2154 54.0271 31.5761 173.4988 88 V 4.2393 8.9049 122.3604 61.4971 35.1395 173.8980 89 H 4.7721 8.5848 125.6735 55.3254 28.1931 175.3153 90 I 3.9952 7.9649 119.4192 62.2677 38.2082 175.3237 91 N 4.5572 7.3160 115.8185 53.0315 39.4596 172.8169 92 H 4.3147 9.1837 116.8021 59.5705 30.2627 176.3657 93 D 4.6982 8.2343 117.6485 55.4976 42.9558 176.7103 94 D 5.2540 9.5276 118.9738 53.3791 43.3571 175.6867 95 C 4.9312 8.1959 114.8391 56.3862 33.2015 172.6709 96 L 4.3694 10.1282 124.9074 54.2477 43.5728 174.7670 97 E 4.8549 8.6114 126.3337 54.3048 32.9773 174.1588 98 I 4.4671 8.7122 127.7013 59.5565 40.0615 174.2074 99 A 5.0405 9.2392 130.6527 50.3395 21.0657 175.6175 100 V 4.5086 8.8860 124.0461 61.9170 33.2315 174.7439 101 L 5.4423 9.1493 128.0883 53.0303 44.8222 175.4322 102 K 4.3900 9.7508 123.0096 53.9879 35.7043 174.3577 103 G 3.7932 7.6209 114.1333 45.0513 0.0000 173.3161 104 D 4.8342 8.3964 125.9402 53.4773 42.1016 176.5767 105 M 4.1183 9.0463 127.8967 58.6887 31.4403 179.0679 106 G 3.5516 8.2642 105.1298 48.0730 0.0000 175.3685 107 D 4.5103 8.0018 122.0882 57.3372 40.8056 178.4520 108 V 3.7361 8.6239 119.4158 65.2814 31.3400 177.4165 109 Q 3.9748 8.7773 120.3404 59.3741 28.9790 179.1138 110 H 4.4350 7.9414 117.7527 58.9192 30.1159 176.9287 111 F 4.5968 8.2201 121.6417 60.9570 39.0423 177.0888 112 A 3.7442 8.1385 120.6722 55.0932 18.0073 178.9091 113 D 4.3213 7.7106 117.2529 58.2412 40.7612 178.5011 114 D 4.7153 8.3039 117.4422 57.9551 41.1210 179.0025 115 V 3.4900 7.5165 117.8556 66.2888 31.3405 178.1800 116 I 3.5524 7.4590 117.8362 64.5816 37.1534 178.1419 117 A 4.0662 8.7937 120.4964 53.7912 18.7217 177.7266 118 Q 3.9506 7.7245 121.4808 56.9229 29.7114 176.3148 119 R 4.2233 8.2846 120.6671 56.7992 30.2023 178.2272 120 G 4.0050 9.0124 111.0971 44.5237 0.0000 174.2744 121 V 4.2156 6.8002 119.0874 61.6330 30.1158 175.5599 122 R 4.2482 8.8043 124.9811 55.8198 31.1511 176.3011 123 H 4.2384 8.7867 113.5088 56.5835 26.4317 175.3018 124 G 3.9237 8.1736 106.0889 47.2123 0.0000 173.2973 125 H 4.9993 9.9908 125.0007 54.6814 33.7304 171.4543 126 L 5.0402 8.4138 127.6006 53.2547 44.1409 174.8882 127 Q 4.5225 8.9958 128.0366 54.5894 31.0806 173.8727 128 C 4.7432 8.6612 124.6102 58.9383 29.7230 174.3725 129 L 4.9433 8.5887 122.2147 51.7702 41.5743 173.9862 130 P 4.7283 0.0000 0.0000 62.8299 32.6167 178.3236 131 K 4.2426 8.6147 121.5151 55.1415 31.6223 177.2135 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 51 Q 7.77 5.12 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 52 G 7.67 4.14 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 0.00 0.00 0.00 53 F 9.48 5.65 0.00 2.89 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 54 A 8.69 4.92 1.24 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 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.73 4.63 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 0.95 0.00 0.00 0.96 0.00 0.00 56 L 8.89 5.23 0.00 1.79 1.54 1.06 0.72 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 57 S 9.08 5.17 0.00 3.78 3.84 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 0.00 0.00 0.00 0.00 58 Y 7.60 5.05 0.00 3.17 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 59 V 9.40 5.17 2.38 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 1.05 0.00 0.00 0.97 0.00 0.00 60 Y 8.21 5.39 0.00 3.19 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 61 E 8.86 4.43 0.00 1.68 1.88 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 2.31 1.88 0.00 62 H 9.19 4.05 0.00 3.03 3.33 0.00 5.91 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.23 4.03 0.00 2.03 1.85 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 2.23 1.87 0.00 64 K 7.47 4.03 0.00 1.76 1.70 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.27 7.81 65 R 8.28 3.92 0.00 1.82 1.79 0.00 3.26 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 0.00 *79 H 8.29 4.72 0.00 3.14 3.18 0.00 5.82 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.04 4.42 0.00 2.70 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.74 4.68 0.00 1.67 1.84 0.77 1.07 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 82 S 9.95 4.63 0.00 4.01 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 83 V 8.39 4.30 2.35 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 0.91 0.00 0.00 1.02 0.00 0.00 84 A 7.40 4.56 1.23 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 0.00 0.00 0.00 85 T 8.53 5.09 4.34 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 1.33 0.00 0.00 86 L 9.09 4.75 0.00 1.70 1.46 0.92 0.89 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 87 H 8.78 5.34 0.00 3.00 3.15 0.00 5.91 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.90 4.24 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 0.90 0.00 0.00 0.87 0.00 0.00 89 H 8.58 4.77 0.00 3.16 3.33 0.00 5.75 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 90 I 7.96 4.00 1.84 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 1.42 0.50 0.86 0.00 0.00 91 N 7.32 4.56 0.00 2.78 2.82 0.00 0.00 6.01 7.90 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 92 H 9.18 4.31 0.00 3.09 3.35 0.00 5.72 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.23 4.70 0.00 2.57 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.53 5.25 0.00 2.47 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 C 8.20 4.93 0.00 2.84 2.80 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 96 L 10.13 4.37 0.00 1.73 1.65 0.81 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.61 4.85 0.00 1.96 1.12 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 1.89 1.90 0.00 98 I 8.71 4.47 1.80 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 1.06 0.37 0.87 0.00 0.00 99 A 9.24 5.04 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.89 4.51 2.17 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 1.13 0.00 0.00 0.97 0.00 0.00 101 L 9.15 5.44 0.00 1.65 1.64 1.03 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 102 K 9.75 4.39 0.00 0.97 1.28 0.00 1.27 0.00 0.00 1.46 0.00 0.00 2.71 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.88 0.21 7.81 103 G 7.62 3.79 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 0.00 0.00 0.00 104 D 8.40 4.83 0.00 2.73 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 M 9.05 4.12 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.81 0.00 106 G 8.26 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.00 4.51 0.00 2.81 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.62 3.74 2.20 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 1.05 0.00 0.00 1.01 0.00 0.00 109 Q 8.78 3.97 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.53 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 110 H 7.94 4.43 0.00 3.47 3.46 0.00 5.84 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 F 8.22 4.60 0.00 3.07 3.21 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 0.00 112 A 8.14 3.74 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 0.00 113 D 7.71 4.32 0.00 2.95 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.30 4.72 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.52 3.49 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 0.21 0.00 0.00 0.48 0.00 0.00 116 I 7.46 3.55 1.98 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 1.43 0.77 0.91 0.00 0.00 117 A 8.79 4.07 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 118 Q 7.72 3.95 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.91 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 119 R 8.28 4.22 0.00 1.87 1.70 0.00 3.33 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.19 0.00 120 G 9.01 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 0.00 0.00 0.00 121 V 6.80 4.22 2.33 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 0.75 0.00 0.00 0.76 0.00 0.00 122 R 8.80 4.25 0.00 2.01 1.64 0.00 3.41 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 123 H 8.79 4.24 0.00 3.35 3.38 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.17 3.92 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 0.00 0.00 0.00 125 H 9.99 5.00 0.00 3.21 3.15 0.00 5.74 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.41 5.04 0.00 1.62 1.47 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 9.00 4.52 0.00 2.12 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 128 C 8.66 4.74 0.00 2.91 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 0.00 129 L 8.59 4.94 0.00 1.79 1.59 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 4.73 0.00 2.10 2.09 0.00 3.80 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 2.02 2.00 0.00 131 K 8.61 4.24 0.00 1.80 1.63 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.01 7.81 * Residues marked with a * may have inaccurate shift predictions.