NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4181 8.3344 117.0981 57.5745 64.0294 172.5483 3 E 3.9532 8.7371 116.9271 57.8824 30.0198 176.3699 4 S 4.3612 10.1656 122.8250 58.4546 64.4699 175.3009 5 L 4.0390 8.6843 124.0799 57.7312 41.6646 178.0899 6 L 4.5688 7.9195 116.3652 54.9251 42.0761 177.4122 7 Y 4.2307 8.3566 122.1176 61.0535 38.5472 178.6810 8 G 3.6206 8.2715 105.9027 47.8494 0.0000 174.6592 9 Y 3.9661 7.9485 121.3786 60.6593 38.8612 178.2246 10 F 4.2805 8.2763 120.1001 59.5078 38.9188 177.5640 11 L 3.6190 7.9400 120.5563 58.0499 41.8297 178.5201 12 D 4.2065 8.0984 118.3244 57.3655 40.6299 178.4243 13 S 4.1564 7.7055 114.2919 60.9266 62.9327 176.4113 14 W 4.0136 8.1576 132.0179 60.3591 30.4437 178.0982 15 L 3.4871 7.9319 119.3338 56.8432 40.5701 178.1626 16 D 4.4989 7.5786 115.8697 52.6167 39.6664 177.0649 17 G 2.4364 7.0257 106.6072 46.2279 0.0000 174.9946 18 T 4.0148 7.6044 118.0354 65.5398 68.7643 175.4129 19 A 4.5393 7.8317 123.7204 51.1945 19.6371 176.6378 20 S 4.8547 8.3775 116.0828 55.9723 65.7616 173.8961 21 E 4.2983 8.8535 121.2341 59.2739 29.7429 177.5807 22 E 4.2344 7.5137 118.6826 56.3669 27.1211 176.7253 *25 R 4.1461 7.9661 126.5268 57.1014 32.5682 177.6277 26 V 3.5416 7.6874 116.4005 65.9148 31.4863 177.8461 27 A 3.8024 7.7269 120.0181 55.0322 18.2682 179.6296 28 V 4.0075 7.4105 117.5017 65.8283 31.4980 177.8447 29 N 4.3285 8.1050 114.8816 56.2794 38.4523 177.0109 30 A 4.2031 8.0905 121.2101 53.1222 18.4703 178.5474 31 G 3.8720 7.6955 104.4935 46.0285 0.0000 174.1776 32 D 4.7001 7.9860 119.1877 55.1085 41.6149 176.6116 33 L 4.9924 7.3763 118.3598 52.2596 45.9465 175.7909 34 T 4.6255 8.6684 112.3664 60.7759 71.4855 175.8939 35 Q 3.9169 8.4356 121.9624 59.2202 28.9654 177.8487 36 E 3.9080 8.1441 119.8726 59.4468 29.5911 178.6346 37 E 4.0578 8.2116 118.1702 59.3263 29.3465 179.1001 38 A 3.8450 7.8361 119.7256 55.2999 18.5001 179.0951 39 D 4.3562 8.1842 116.6215 57.3045 40.9250 178.9236 40 K 4.2398 7.9933 118.1939 59.4667 32.3660 180.2885 41 I 3.6210 7.7793 117.1165 62.0551 36.4642 177.9999 *43 S 4.4459 8.0193 116.5269 58.3736 64.7469 174.0269 44 Y 4.1391 7.7923 117.7074 57.0363 37.9392 173.6431 45 P 4.6716 0.0000 0.0000 61.4817 31.9786 175.9351 46 W 3.3645 9.0961 133.3942 58.9968 30.7712 175.9715 47 G 2.9766 7.7497 112.6594 45.0613 0.0000 174.7796 48 A 3.9928 7.1102 122.8720 54.9104 18.4218 179.7290 49 W 4.8117 8.1437 115.4138 59.7364 29.3798 176.1199 50 N 4.5345 8.3353 120.2690 53.4649 37.9183 174.7270 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 S 8.33 4.42 0.00 3.65 3.78 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 3 E 8.74 3.95 0.00 1.92 1.90 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 2.23 2.41 0.00 4 S 10.17 4.36 0.00 4.09 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 5 L 8.68 4.04 0.00 1.67 1.76 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.92 4.57 0.00 1.99 1.70 0.96 0.47 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 7 Y 8.36 4.23 0.00 3.27 3.08 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 0.00 0.00 0.00 0.00 8 G 8.27 3.62 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 0.00 0.00 0.00 9 Y 7.95 3.97 0.00 2.91 2.90 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 10 F 8.28 4.28 0.00 3.04 2.93 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 0.00 0.00 0.00 0.00 11 L 7.94 3.62 0.00 1.04 1.43 -0.13 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.10 4.21 0.00 2.85 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.71 4.16 0.00 4.01 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 14 W 8.16 4.01 0.00 3.41 3.10 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 0.00 0.00 0.00 15 L 7.93 3.49 0.00 1.05 0.13 0.25 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.58 4.50 0.00 2.76 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 17 G 7.03 2.44 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 0.00 0.00 0.00 0.00 18 T 7.60 4.01 4.21 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 1.20 0.00 0.00 19 A 7.83 4.54 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.38 4.85 0.00 4.13 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 21 E 8.85 4.30 0.00 2.15 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 2.33 2.34 0.00 22 E 7.51 4.23 0.00 2.37 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 2.31 2.40 0.00 *25 R 7.97 4.15 0.00 2.01 2.14 0.00 3.17 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 26 V 7.69 3.54 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 1.05 0.00 0.00 1.00 0.00 0.00 27 A 7.73 3.80 0.55 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 28 V 7.41 4.01 2.14 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 1.47 0.00 0.00 0.89 0.00 0.00 29 N 8.11 4.33 0.00 2.95 2.86 0.00 0.00 7.07 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.09 4.20 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.70 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 32 D 7.99 4.70 0.00 2.80 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.38 4.99 0.00 1.52 1.46 0.60 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.67 4.63 4.24 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 1.22 0.00 0.00 35 Q 8.44 3.92 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 36 E 8.14 3.91 0.00 2.10 1.92 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 2.35 2.45 0.00 37 E 8.21 4.06 0.00 2.34 2.31 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 2.24 2.32 0.00 38 A 7.84 3.84 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 39 D 8.18 4.36 0.00 2.77 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 40 K 7.99 4.24 0.00 2.09 2.10 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.58 1.52 7.81 41 I 7.78 3.62 1.64 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.48 0.42 0.00 0.00 *43 S 8.02 4.45 0.00 3.99 4.18 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.79 4.14 0.00 3.23 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.67 0.00 2.26 2.08 0.00 3.68 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 46 W 9.10 3.36 0.00 2.51 2.83 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 47 G 7.75 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 0.00 0.00 0.00 48 A 7.11 3.99 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 49 W 8.14 4.81 0.00 3.23 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 50 N 8.34 4.53 0.00 2.72 2.69 0.00 0.00 6.85 7.62 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 * Residues marked with a * may have inaccurate shift predictions.