NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 S 4.3972 8.3231 117.0994 58.1329 65.3406 176.1020 2 G 3.8912 7.5397 105.6116 43.4111 0.0000 173.1129 3 I 3.7302 8.2952 120.3843 65.0103 35.8569 173.4710 4 V 3.7535 7.7156 119.9813 65.8775 31.4592 177.5918 5 Q 3.9438 8.0675 118.7202 59.3430 28.7958 177.9936 6 Q 3.9749 8.0842 120.4548 59.3034 29.1056 178.1518 7 Q 3.9925 8.4324 119.4427 59.1243 28.6667 178.6783 8 N 4.3987 8.3920 117.5536 56.1839 38.5609 177.2874 9 N 4.3260 8.1653 117.9472 56.3650 38.6656 177.4172 10 L 4.0061 8.1853 120.6342 57.6797 41.5985 179.4035 11 L 3.9525 8.0039 120.2541 58.2735 42.0333 179.2440 12 R 4.2037 8.5273 119.2682 58.5771 29.8538 178.9433 13 A 4.0079 8.1509 120.6340 55.2641 18.3847 179.7610 14 I 3.6461 7.9280 118.3742 64.4980 36.8078 178.5555 15 E 3.8854 8.5514 119.5583 59.3296 29.3877 179.3115 16 A 4.1140 8.2176 120.8508 55.3592 18.4590 179.7427 17 Q 3.9517 8.3909 116.8429 58.9751 28.6272 178.8072 18 Q 3.9113 8.0924 120.8067 59.3994 29.0933 177.9700 19 H 3.8947 7.7103 116.8026 58.6907 28.5899 177.5824 20 L 3.7785 7.4884 121.8504 57.9203 41.8995 178.9687 21 L 4.0305 8.2081 119.4826 57.9810 41.5500 179.5460 22 Q 4.1108 8.4378 118.3420 58.8142 28.4911 178.8067 23 L 4.2513 7.8584 120.4275 58.0905 41.6026 179.6590 24 T 4.3987 8.2526 109.9237 64.8649 68.7764 176.8868 25 V 3.6563 8.1898 121.1688 65.5322 31.6144 177.8164 26 W 4.2506 8.7614 128.3631 60.4533 30.7194 178.1431 27 G 3.7387 9.1098 106.0685 47.9878 0.0000 175.7384 28 I 3.7574 7.8806 121.3596 64.0210 37.2697 178.2939 29 K 4.0008 8.0787 119.3160 59.6391 31.6150 179.4348 30 Q 3.6571 7.3780 117.2165 58.3753 28.5640 178.0684 31 L 4.3303 7.4402 117.8921 56.1205 41.8676 178.4395 32 Q 3.9781 7.2411 114.8466 57.1245 28.2458 177.3236 *37 G 3.8900 8.1856 111.3317 44.8161 0.0000 174.0208 *38 R 4.1875 8.2659 120.8245 56.7256 28.0900 180.5371 39 G 3.8868 8.0461 106.5449 48.4164 0.0000 175.2375 40 G 3.7029 8.1854 106.6620 46.9399 0.0000 174.4294 41 W 4.7777 8.5794 120.0111 56.6612 29.3849 177.2613 42 M 4.1252 7.9267 120.8755 59.0462 31.5459 177.8705 43 E 3.9850 8.2568 118.6827 58.8599 29.8930 178.2154 44 W 4.1209 8.3979 128.0005 60.6892 30.8190 177.4081 45 D 4.5386 9.0786 119.2226 57.4052 40.2579 178.6831 46 R 3.8533 8.1479 119.0273 59.5646 30.0222 178.3721 47 E 3.7875 8.4219 118.2694 59.3135 29.5081 179.1254 48 A 3.7619 7.8836 121.0888 55.2763 18.3362 179.5008 49 N 4.2559 8.2397 115.0088 56.4569 38.5394 177.5043 50 N 4.2279 8.2063 117.9994 56.5612 38.5386 177.1910 51 Y 4.0188 8.1596 118.4534 61.0791 37.9025 178.5372 52 T 3.8475 7.9905 116.9008 66.7834 68.5436 176.9187 53 S 4.0429 8.0752 117.0599 61.2178 62.7799 176.5119 54 L 3.9101 8.0070 123.2480 58.2957 41.8227 179.1415 55 I 3.7823 8.1721 120.1387 64.6267 36.9695 178.0603 56 H 4.2225 8.4031 117.3561 58.9998 28.5936 177.9868 57 S 4.1506 8.1286 115.9865 61.4653 62.8224 176.5736 58 L 4.0293 7.9585 122.6482 57.4525 41.3401 179.5800 59 I 3.7303 8.1819 120.1833 64.4845 37.0804 178.2770 60 E 4.5174 8.2772 120.8283 58.8147 29.2724 179.1039 61 E 3.9223 8.2836 119.2614 59.4785 29.5208 179.1001 62 S 4.1474 7.9448 113.9061 61.6920 63.1293 176.3925 63 Q 4.1298 8.5757 121.2333 58.9959 28.2268 178.3711 64 N 4.4728 8.3359 119.6375 56.7834 38.9459 176.3434 65 Q 4.4738 7.7566 122.8996 57.6388 28.7391 179.3387 66 Q 4.2833 7.8584 125.4612 56.3329 28.8668 176.5955 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 S 8.32 4.40 0.00 3.65 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 2 G 7.54 3.89 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 0.00 0.00 0.00 3 I 8.30 3.73 1.87 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 0.70 0.91 0.00 0.00 4 V 7.72 3.75 2.08 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 0.97 0.00 0.00 0.93 0.00 0.00 5 Q 8.07 3.94 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 6 Q 8.08 3.97 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 7 Q 8.43 3.99 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 8 N 8.39 4.40 0.00 2.88 2.86 0.00 0.00 7.02 6.46 0.00 0.00 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 N 8.17 4.33 0.00 2.92 2.87 0.00 0.00 7.01 6.18 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 10 L 8.19 4.01 0.00 1.82 1.72 0.92 0.76 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 11 L 8.00 3.95 0.00 1.77 1.83 0.92 0.91 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 12 R 8.53 4.20 0.00 2.05 1.99 0.00 3.20 0.00 0.00 3.28 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 13 A 8.15 4.01 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 14 I 7.93 3.65 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 1.52 0.69 0.90 0.00 0.00 15 E 8.55 3.89 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 2.31 2.59 0.00 16 A 8.22 4.11 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.39 3.95 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 18 Q 8.09 3.91 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 19 H 7.71 3.89 0.00 2.47 1.93 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.49 3.78 0.00 1.69 1.75 0.87 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.21 4.03 0.00 1.94 1.70 0.98 0.89 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 22 Q 8.44 4.11 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 23 L 7.86 4.25 0.00 1.83 1.52 0.76 0.47 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 24 T 8.25 4.40 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 1.48 0.00 0.00 25 V 8.19 3.66 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 1.06 0.00 0.00 1.08 0.00 0.00 26 W 8.76 4.25 0.00 3.66 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 27 G 9.11 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 28 I 7.88 3.76 2.05 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 1.54 0.77 0.91 0.00 0.00 29 K 8.08 4.00 0.00 1.74 1.66 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.64 7.81 30 Q 7.38 3.66 0.00 1.75 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 1.18 1.16 0.00 31 L 7.44 4.33 0.00 1.78 1.70 0.77 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 7.24 3.98 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 *37 G 8.19 3.89 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 0.00 0.00 0.00 *38 R 8.27 4.19 0.00 1.93 2.02 0.00 3.27 0.00 0.00 3.34 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.18 0.00 39 G 8.05 3.89 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 0.00 0.00 0.00 40 G 8.19 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.58 4.78 0.00 3.59 3.37 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 0.00 0.00 0.00 0.00 42 M 7.93 4.13 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.63 0.00 43 E 8.26 3.99 0.00 2.14 1.97 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 0.00 2.33 2.40 0.00 44 W 8.40 4.12 0.00 3.69 3.83 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 45 D 9.08 4.54 0.00 3.05 2.85 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 46 R 8.15 3.85 0.00 1.98 2.13 0.00 3.08 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 1.57 1.64 0.00 47 E 8.42 3.79 0.00 1.98 2.01 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 2.52 2.41 0.00 48 A 7.88 3.76 0.69 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 0.00 0.00 0.00 0.00 0.00 49 N 8.24 4.26 0.00 2.86 2.83 0.00 0.00 7.08 7.27 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 50 N 8.21 4.23 0.00 2.56 2.54 0.00 0.00 7.05 7.12 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 51 Y 8.16 4.02 0.00 3.08 2.92 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 52 T 7.99 3.85 4.31 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 1.05 0.00 0.00 53 S 8.08 4.04 0.00 3.94 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 54 L 8.01 3.91 0.00 1.75 1.87 0.91 1.11 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 55 I 8.17 3.78 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.76 0.96 0.00 0.00 56 H 8.40 4.22 0.00 3.42 3.36 0.00 5.82 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.13 4.15 0.00 4.07 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 58 L 7.96 4.03 0.00 1.92 1.77 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.18 3.73 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.73 0.90 0.00 0.00 60 E 8.28 4.52 0.00 2.01 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 2.32 2.37 0.00 61 E 8.28 3.92 0.00 2.19 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 2.35 0.00 62 S 7.94 4.15 0.00 4.04 3.91 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 0.00 0.00 0.00 0.00 63 Q 8.58 4.13 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 64 N 8.34 4.47 0.00 2.80 3.01 0.00 0.00 7.11 6.64 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 65 Q 7.76 4.47 0.00 2.22 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 5.46 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 66 Q 7.86 4.28 0.00 2.28 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.52 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 * Residues marked with a * may have inaccurate shift predictions.