NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.3267 8.3331 119.6862 55.2267 30.8462 175.6127 2 G 4.1313 7.5487 102.7995 42.5716 0.0000 172.9518 3 S 4.5174 7.7934 117.6542 57.2952 64.3301 174.7834 4 R 3.9828 8.0056 120.6449 56.8803 30.4821 176.5698 5 V 3.7969 8.1625 123.2216 63.3339 30.0779 174.3986 6 L 4.5055 8.2747 122.8629 55.9057 44.0721 177.8072 7 H 5.5279 7.4777 113.3239 53.7841 29.2840 173.0969 8 V 3.9710 7.8193 121.5567 63.0343 33.7453 175.0610 9 V 5.5029 8.0354 116.4405 59.7043 36.2517 173.9539 10 Q 4.8958 8.6625 123.9407 54.4349 30.5873 175.5782 11 T 4.2639 8.0882 121.3838 64.1234 68.8423 174.1516 12 L 4.3140 7.9918 121.0208 54.9457 43.7993 176.5645 13 Y 4.8174 7.3355 114.7130 55.7057 41.8652 174.0761 14 P 4.4840 0.0000 0.0000 62.3963 29.4478 175.5196 15 F 4.6341 7.3453 130.3573 58.8849 41.6423 173.5287 16 S 4.4281 5.8310 115.9741 56.6496 65.8137 174.1130 17 S 4.2859 8.5591 119.5162 56.6394 64.7637 173.9339 18 V 4.3151 8.4141 120.6291 60.0155 32.9969 175.3309 19 T 4.3411 7.8761 125.8737 62.8129 71.2341 173.9240 20 E 4.1407 9.0896 123.6361 60.1187 29.8766 179.1057 21 E 4.8000 7.7932 116.4361 56.2115 30.4119 175.1299 22 E 4.5174 8.2224 118.3757 54.8412 32.4401 174.9282 23 L 4.7291 8.0266 123.8894 53.5546 43.5041 175.0002 24 N 5.2463 8.8368 126.0868 52.3795 40.0516 174.0363 25 F 5.2116 8.4322 120.1498 55.5900 41.0751 174.0885 26 E 4.2689 8.8730 119.7052 54.8657 30.8146 176.4199 27 K 3.8560 8.2471 119.4350 58.6413 33.0301 176.4219 28 G 3.6560 8.8311 106.7872 46.8311 0.0000 173.3265 29 E 4.6259 7.8066 119.9200 54.1103 32.6418 175.3294 30 T 4.5084 8.6687 124.6595 64.0874 69.5199 173.2256 31 M 4.9418 8.7750 127.5149 53.3897 34.7530 175.5807 32 E 4.4060 9.0107 122.6764 54.9926 30.7436 175.6186 33 V 3.8884 8.3771 125.8063 63.3856 30.0407 175.5031 34 I 3.9185 8.3220 127.4538 63.7102 37.5575 175.6342 35 E 4.5321 8.7940 121.2695 54.2521 33.4493 174.3820 36 K 4.5943 7.7093 120.8749 54.0957 32.4341 174.0627 37 P 4.5522 0.0000 0.0000 62.4182 33.1062 176.9456 38 E 4.1581 8.8255 118.8799 57.9538 30.1542 177.1691 39 N 4.1985 8.2248 116.6207 52.9599 37.5655 175.4022 40 D 5.7921 7.6044 125.1787 55.1374 40.9951 176.7551 41 P 3.9857 0.0000 0.0000 66.6349 31.0398 175.5027 42 E 4.3653 7.7490 118.4028 54.6604 28.6938 176.3959 43 W 5.0160 7.3889 120.2460 56.5483 30.3520 175.3141 44 W 5.2811 8.6763 120.3316 54.9184 33.0410 175.4419 45 K 4.5269 9.0596 125.5041 56.1404 31.6499 174.4851 46 C 5.3115 8.4613 121.1481 55.9601 32.1653 173.5288 47 K 4.5357 9.1009 125.3903 56.0302 33.5247 174.8485 48 N 5.0549 10.9700 122.9175 51.2035 38.5627 175.9781 49 A 4.4898 9.1931 126.6571 54.2142 18.5807 178.5779 50 R 4.0397 7.3350 110.2869 57.5762 30.0256 177.1682 51 G 3.9038 10.3306 106.2964 45.7914 0.0000 173.0027 52 Q 4.5984 7.8590 117.9480 53.9263 32.6447 173.3234 53 V 4.7759 8.2595 119.3379 60.6668 34.8199 174.6418 54 G 4.3338 7.3626 111.0438 45.6515 0.0000 172.4499 55 L 5.0709 9.3322 122.3469 54.3699 43.1860 176.7203 56 V 4.2056 8.1506 119.5319 59.5554 35.0198 170.9590 57 P 4.2767 0.0000 0.0000 62.5681 31.8708 177.0942 58 K 3.4268 7.7894 122.8666 58.0200 31.9050 177.2016 59 N 4.6741 7.6636 115.7657 54.0337 39.1263 174.8075 60 Y 4.6092 8.4260 116.6694 58.1571 38.1399 174.9430 61 V 4.7339 7.3834 112.1227 60.0040 36.1283 174.3326 62 V 4.5904 8.2902 122.5263 60.1752 34.4659 174.6553 63 V 4.7663 8.3139 120.8010 60.6337 32.7365 174.3938 64 L 4.5614 8.8023 123.8664 56.7033 42.8227 177.4621 65 S 4.3844 7.8808 114.9384 58.6364 63.6786 173.1660 66 D 4.9818 8.0972 121.0189 51.9668 41.7368 175.1557 67 G 3.6425 8.3266 109.9040 47.3693 0.0000 172.7648 68 P 4.3068 0.0000 0.0000 62.3865 29.8367 175.1181 69 A 4.5793 7.9820 128.4589 50.4734 18.6186 173.9348 70 L 4.1575 8.0291 122.1627 54.6254 42.9078 177.7518 *71 H 4.6300 8.7609 119.3116 54.8491 28.7368 169.6982 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 Q 8.33 4.33 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.26 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 2 G 7.55 4.13 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 0.00 0.00 0.00 3 S 7.79 4.52 0.00 3.94 3.88 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 4 R 8.01 3.98 0.00 1.78 1.84 0.00 3.22 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 5 V 8.16 3.80 2.06 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 0.79 0.00 0.00 0.92 0.00 0.00 6 L 8.27 4.51 0.00 1.55 1.47 0.89 1.01 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 H 7.48 5.53 0.00 2.95 3.18 0.00 5.75 0.00 0.00 0.00 0.00 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.82 3.97 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 0.94 0.00 0.00 9 V 8.04 5.50 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 0.76 0.00 0.00 1.08 0.00 0.00 10 Q 8.66 4.90 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.04 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 11 T 8.09 4.26 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 1.19 0.00 0.00 12 L 7.99 4.31 0.00 0.60 0.23 0.87 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 7.34 4.82 0.00 2.85 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 14 P 0.00 4.48 0.00 2.12 2.08 0.00 3.86 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 15 F 7.35 4.63 0.00 3.11 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 16 S 5.83 4.43 0.00 3.28 3.45 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 0.00 0.00 0.00 0.00 17 S 8.56 4.29 0.00 4.09 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 18 V 8.41 4.32 2.06 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 0.69 0.00 0.00 0.88 0.00 0.00 19 T 7.88 4.34 4.51 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 1.24 0.00 0.00 20 E 9.09 4.14 0.00 1.93 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 2.30 2.41 0.00 21 E 7.79 4.80 0.00 2.15 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 2.27 2.30 0.00 22 E 8.22 4.52 0.00 2.05 1.87 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 2.27 2.23 0.00 23 L 8.03 4.73 0.00 1.68 1.51 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.84 5.25 0.00 2.91 2.75 0.00 0.00 7.12 6.97 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 25 F 8.43 5.21 0.00 3.26 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.87 4.27 0.00 2.09 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 2.28 2.26 0.00 27 K 8.25 3.86 0.00 1.80 1.91 0.00 1.47 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.50 7.81 28 G 8.83 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 0.00 0.00 0.00 29 E 7.81 4.63 0.00 2.70 2.09 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 2.42 2.51 0.00 30 T 8.67 4.51 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 1.23 0.00 0.00 31 M 8.77 4.94 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.23 0.00 32 E 9.01 4.41 0.00 2.02 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 2.25 2.37 0.00 33 V 8.38 3.89 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 0.54 0.00 0.00 1.11 0.00 0.00 34 I 8.32 3.92 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 1.22 0.87 0.89 0.00 0.00 35 E 8.79 4.53 0.00 1.94 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 36 K 7.71 4.59 0.00 1.15 0.74 0.00 1.33 0.00 0.00 1.29 0.00 0.00 2.70 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.30 0.50 7.81 37 P 0.00 4.55 0.00 2.36 2.07 0.00 3.87 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 38 E 8.83 4.16 0.00 2.01 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 2.34 2.27 0.00 39 N 8.22 4.20 0.00 2.78 2.76 0.00 0.00 6.78 8.08 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 40 D 7.60 5.79 0.00 2.56 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 41 P 0.00 3.99 0.00 0.49 1.17 0.00 3.56 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.85 0.00 42 E 7.75 4.37 0.00 2.10 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 0.00 2.15 2.03 0.00 43 W 7.39 5.02 0.00 3.32 3.07 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 0.00 0.00 0.00 0.00 44 W 8.68 5.28 0.00 3.17 3.03 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 0.00 45 K 9.06 4.53 0.00 1.92 1.75 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.43 7.81 46 C 8.46 5.31 0.00 3.08 3.12 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 0.00 0.00 0.00 47 K 9.10 4.54 0.00 1.84 1.81 0.00 1.61 0.00 0.00 1.95 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.58 7.81 48 N 10.97 5.05 0.00 2.98 2.87 0.00 0.00 7.08 7.37 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 49 A 9.19 4.49 1.39 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 0.00 0.00 0.00 50 R 7.34 4.04 0.00 1.89 2.03 0.00 3.35 0.00 0.00 3.29 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 51 G 10.33 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 52 Q 7.86 4.60 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 53 V 8.26 4.78 2.09 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 0.98 0.00 0.00 0.93 0.00 0.00 54 G 7.36 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 0.00 0.00 0.00 0.00 55 L 9.33 5.07 0.00 1.69 1.87 1.21 0.89 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 56 V 8.15 4.21 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 0.72 0.00 0.00 0.81 0.00 0.00 57 P 0.00 4.28 0.00 1.51 1.69 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.08 0.00 58 K 7.79 3.43 0.00 0.79 0.74 0.00 1.10 0.00 0.00 1.26 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.01 0.83 7.81 59 N 7.66 4.67 0.00 2.80 2.94 0.00 0.00 7.02 7.43 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 60 Y 8.43 4.61 0.00 3.07 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 61 V 7.38 4.73 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 0.97 0.00 0.00 0.97 0.00 0.00 62 V 8.29 4.59 2.09 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 0.74 0.00 0.00 0.96 0.00 0.00 63 V 8.31 4.77 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.16 0.00 0.00 64 L 8.80 4.56 0.00 1.55 1.72 0.95 0.76 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 65 S 7.88 4.38 0.00 3.98 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 66 D 8.10 4.98 0.00 2.77 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.33 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.31 0.00 2.20 2.14 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 69 A 7.98 4.58 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.03 4.16 0.00 1.67 1.65 0.93 1.12 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 *71 H 8.76 4.63 0.00 2.92 3.11 0.00 5.87 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 * Residues marked with a * may have inaccurate shift predictions.