NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4738 8.2893 118.1939 54.6980 32.6348 175.1811 2 V 3.4618 8.1914 118.5371 63.6811 31.3090 174.6249 3 I 4.6160 7.7177 119.0685 58.9936 42.2608 174.3639 4 A 4.8503 8.8877 126.2559 49.6954 22.2966 177.5715 5 T 3.8784 8.4896 116.2506 66.9284 68.2408 176.7261 6 D 4.4788 8.1041 119.3746 57.5296 40.9155 178.0151 7 D 4.5188 7.8498 117.4021 55.7550 41.2095 177.8268 8 L 4.3806 7.5631 119.2366 55.2021 42.6822 175.9263 9 E 5.0971 8.0004 116.3340 54.5357 33.3092 175.2014 10 V 4.4027 8.0778 123.4118 60.6375 33.3868 175.3554 11 A 4.0812 8.6249 129.1033 52.0202 19.3482 176.6637 12 C 4.0056 8.8116 121.9565 58.9290 31.7294 172.7601 13 P 4.3207 0.0000 0.0000 65.1257 31.1962 177.6122 14 K 4.1211 7.6912 119.6141 58.7096 32.8411 178.0973 15 C 4.6963 7.5524 113.0777 63.2312 29.6305 175.5727 16 E 4.1404 7.2548 118.6600 58.4516 25.6890 177.4174 17 R 5.0270 8.6816 124.7455 56.8372 30.1396 177.3597 18 A 4.2618 7.5070 125.6560 51.8880 18.7552 176.3686 *26 C 4.2804 8.4938 114.7225 59.3983 32.3975 173.6630 27 P 4.2682 0.0000 0.0000 65.3964 31.3853 177.6698 28 A 4.1375 8.1983 120.4973 54.5798 18.3309 177.6229 29 C 4.5909 7.9952 107.6650 57.1660 30.9002 173.7071 30 S 3.5286 8.5767 115.5855 59.9942 60.2219 173.3043 31 G 3.9565 8.4278 106.3623 45.4951 0.0000 175.3014 32 K 3.8900 7.3387 119.1454 59.0176 32.4035 178.2846 33 G 4.0709 8.8027 105.1278 45.4296 0.0000 173.1383 34 V 4.6531 7.1011 117.9620 60.3352 32.1633 174.2722 35 I 3.8950 7.9034 126.7842 60.9184 37.6547 174.6402 36 L 4.9173 7.7894 119.5263 53.1884 44.9305 177.0250 37 T 4.2113 8.1330 112.3960 60.6106 70.2036 175.6955 38 A 4.2155 8.7180 123.2813 55.6781 18.3330 179.4985 39 Q 4.0107 8.2897 117.5773 59.2976 28.9656 178.7312 40 G 3.5039 7.6475 106.2165 48.0049 0.0000 175.0259 41 Y 4.2800 7.7475 119.9256 61.0277 38.0863 178.8468 42 T 4.1429 8.2544 116.7774 66.8562 68.5188 176.0175 43 L 4.0378 7.8469 121.1194 58.1089 42.1664 178.5599 44 L 3.9851 8.0696 120.2279 58.4749 42.0518 178.5855 45 D 4.4264 9.0100 119.7206 57.3699 40.4182 178.6833 46 F 4.3144 8.2432 120.5432 61.4431 39.4148 177.3373 47 I 3.3288 8.1287 119.6412 64.2980 36.7155 178.0654 48 Q 3.9109 8.1246 119.5164 59.2495 28.9531 178.2573 49 K 4.0448 7.8847 118.8523 58.5593 32.2943 176.8204 50 H 4.6935 7.0825 113.2935 55.3329 30.8707 174.2411 51 L 3.8743 7.7876 121.9123 55.9497 42.4367 176.4355 52 N 4.5297 8.7319 121.5967 53.9533 38.5973 174.0293 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 M 8.29 4.47 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.77 0.00 2 V 8.19 3.46 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 0.67 0.00 0.00 0.93 0.00 0.00 3 I 7.72 4.62 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 1.34 0.87 0.91 0.00 0.00 4 A 8.89 4.85 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 5 T 8.49 3.88 4.23 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 1.20 0.00 0.00 6 D 8.10 4.48 0.00 2.63 2.74 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 7 D 7.85 4.52 0.00 2.82 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 8 L 7.56 4.38 0.00 1.82 1.65 0.91 0.88 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 9 E 8.00 5.10 0.00 1.72 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 2.17 2.19 0.00 10 V 8.08 4.40 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 0.73 0.00 0.00 0.91 0.00 0.00 11 A 8.62 4.08 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 12 C 8.81 4.01 0.00 2.96 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 13 P 0.00 4.32 0.00 2.22 2.18 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 14 K 7.69 4.12 0.00 1.88 1.86 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.37 7.81 15 C 7.55 4.70 0.00 3.06 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 16 E 7.25 4.14 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 2.30 2.38 0.00 17 R 8.68 5.03 0.00 1.95 2.09 0.00 3.29 0.00 0.00 3.88 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 18 A 7.51 4.26 1.21 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 0.00 0.00 *26 C 8.49 4.28 0.00 3.00 2.87 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 27 P 0.00 4.27 0.00 2.09 2.10 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 28 A 8.20 4.14 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 29 C 8.00 4.59 0.00 3.09 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.58 3.53 0.00 4.01 3.99 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 31 G 8.43 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.34 3.89 0.00 1.82 1.85 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.54 7.81 33 G 8.80 4.07 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 0.00 0.00 0.00 34 V 7.10 4.65 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.92 0.00 0.00 35 I 7.90 3.90 1.85 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 0.76 0.90 0.00 0.00 36 L 7.79 4.92 0.00 0.77 0.75 0.67 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.13 4.21 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 38 A 8.72 4.22 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 39 Q 8.29 4.01 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 40 G 7.65 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.75 4.28 0.00 3.24 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.25 4.14 4.48 0.00 0.00 0.00 0.00 0.00 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 43 L 7.85 4.04 0.00 1.93 1.72 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.07 3.99 0.00 1.84 1.98 0.95 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 45 D 9.01 4.43 0.00 2.80 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 46 F 8.24 4.31 0.00 3.23 3.39 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 47 I 8.13 3.33 1.88 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.75 0.87 0.00 0.00 48 Q 8.12 3.91 0.00 2.03 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 49 K 7.88 4.04 0.00 1.89 1.71 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.24 1.39 7.81 50 H 7.08 4.69 0.00 2.85 3.05 0.00 5.72 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 51 L 7.79 3.87 0.00 1.76 1.53 0.90 0.84 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 52 N 8.73 4.53 0.00 2.87 2.76 0.00 0.00 6.87 7.56 0.00 0.00 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.