NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.4982 8.2777 118.4694 55.8228 31.8108 176.5971 3 K 4.3640 7.8963 116.1613 53.6506 32.0938 177.7368 4 L 4.2635 7.5186 119.9109 55.2655 43.2984 177.5117 5 S 4.3447 8.4625 117.8591 58.2901 65.0835 175.0295 6 D 4.3856 8.7375 123.4731 57.7960 40.5811 179.1297 7 E 4.0497 8.1136 117.4658 59.1366 29.7374 178.7489 8 L 4.0510 8.0232 121.4769 57.6932 42.1095 178.6178 9 L 3.9657 8.0988 120.6597 57.9504 42.0987 179.0860 10 I 3.7376 7.9992 119.8909 64.3275 37.1142 177.8329 11 E 4.0924 8.2322 120.1343 59.6388 29.3962 179.0405 12 S 4.2170 8.4023 115.2288 61.8092 62.9223 176.1541 13 Y 3.9398 8.0650 122.1542 60.5733 38.4597 177.9918 14 F 4.0797 8.1267 118.2048 60.5620 38.8509 177.8271 15 K 4.0019 8.1546 116.4506 59.3979 32.1593 179.0444 16 A 4.2412 8.3853 121.6555 55.4075 18.1253 179.8624 17 T 3.7848 7.4264 107.1054 64.6367 68.9799 177.1427 18 E 4.2901 8.1907 122.7681 56.6563 29.8580 177.5582 *20 N 4.6082 8.0884 113.2862 51.8106 39.4812 177.2716 21 L 4.2307 7.9935 121.4834 55.6395 42.6311 178.1003 22 N 4.1900 8.8168 121.3431 55.6531 38.4147 177.2494 23 R 4.2898 8.8122 127.1736 60.3346 29.5117 175.5345 24 D 4.5911 8.0921 117.1311 57.7588 40.9296 178.3214 25 F 4.3460 8.1292 120.8124 61.3180 39.5458 177.1093 26 I 3.6045 8.0904 121.9911 65.0391 36.8237 178.8672 27 E 4.1772 8.5424 121.6270 61.6063 29.5945 181.7507 28 L 4.1830 7.9090 122.8306 59.4597 40.9129 182.0922 29 I 3.7971 7.4234 120.8344 64.2887 37.0689 178.3584 30 E 3.8171 8.5997 119.7714 59.5357 29.1519 179.3176 31 N 4.3126 8.3596 116.6627 56.2054 38.4518 177.1509 32 E 3.8906 8.0431 120.3497 59.0564 29.7863 178.6630 33 I 3.7429 7.9368 122.5379 65.1076 36.9818 179.1712 34 K 3.9402 7.6715 122.7825 59.7043 31.6041 180.3434 35 R 4.1946 8.0083 119.4440 59.6762 29.9620 178.5211 36 R 4.1035 7.8162 116.8894 58.6687 30.1781 177.2810 37 S 4.3889 7.7155 117.8071 58.7000 63.1635 173.8732 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 2 R 8.28 4.50 0.00 1.85 1.92 0.00 3.11 0.00 0.00 3.88 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.16 0.00 3 K 7.90 4.36 0.00 1.84 1.71 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.29 1.09 7.81 4 L 7.52 4.26 0.00 1.62 1.64 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.46 4.34 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.74 4.39 0.00 2.79 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 7 E 8.11 4.05 0.00 2.22 2.23 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 2.38 2.38 0.00 8 L 8.02 4.05 0.00 1.83 1.89 0.97 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.10 3.97 0.00 1.94 1.82 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.00 3.74 2.11 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.02 1.18 0.00 0.00 11 E 8.23 4.09 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 12 S 8.40 4.22 0.00 4.07 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 13 Y 8.06 3.94 0.00 2.97 2.82 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 14 F 8.13 4.08 0.00 3.19 3.01 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 15 K 8.15 4.00 0.00 1.82 1.94 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.53 1.72 7.81 16 A 8.39 4.24 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 17 T 7.43 3.78 3.98 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 0.38 0.00 0.00 18 E 8.19 4.29 0.00 2.06 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 2.58 2.56 0.00 *20 N 8.09 4.61 0.00 2.77 2.74 0.00 0.00 6.92 7.79 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 21 L 7.99 4.23 0.00 1.92 1.82 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.82 4.19 0.00 2.72 2.75 0.00 0.00 6.68 7.66 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 23 R 8.81 4.29 0.00 1.81 1.98 0.00 3.22 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.00 24 D 8.09 4.59 0.00 2.75 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 25 F 8.13 4.35 0.00 3.07 3.26 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 0.00 26 I 8.09 3.60 1.87 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 1.31 0.54 0.88 0.00 0.00 27 E 8.54 4.18 0.00 1.98 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 2.24 2.20 0.00 28 L 7.91 4.18 0.00 1.66 1.71 0.92 0.87 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 29 I 7.42 3.80 1.93 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 -0.09 0.93 0.00 0.00 30 E 8.60 3.82 0.00 1.95 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 2.33 2.67 0.00 31 N 8.36 4.31 0.00 2.89 2.84 0.00 0.00 6.63 7.86 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 32 E 8.04 3.89 0.00 2.08 2.02 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 2.28 2.35 0.00 33 I 7.94 3.74 1.82 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.87 0.72 0.00 0.00 34 K 7.67 3.94 0.00 1.87 1.73 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.32 7.81 35 R 8.01 4.19 0.00 1.89 2.14 0.00 3.21 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 36 R 7.82 4.10 0.00 1.95 1.94 0.00 3.19 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 37 S 7.72 4.39 0.00 4.02 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 * Residues marked with a * may have inaccurate shift predictions.