NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2365 8.4449 121.4486 55.9990 30.4504 178.2581 2 T 3.9138 8.8262 111.3695 62.3032 69.8614 173.4059 3 D 4.4013 9.4926 124.3116 56.9571 42.7364 178.3425 4 I 3.8200 7.8344 119.5635 64.6594 37.2289 178.5045 5 C 4.6765 8.4545 116.7259 58.8731 40.0439 174.3379 6 K 4.3854 7.7419 117.6835 56.0339 32.2936 176.9117 7 L 4.2171 7.6149 119.7507 53.6534 42.1118 175.3662 8 P 4.3757 0.0000 0.0000 61.9733 31.9995 176.1656 9 K 3.0156 8.0771 120.9098 56.7201 31.9774 175.9203 10 D 4.5072 7.6435 124.0266 52.4329 42.7503 175.4128 11 E 4.6209 8.8551 127.2065 57.1877 30.3385 178.7754 12 G 4.1998 8.1921 106.8498 45.4867 0.0000 171.0529 13 T 4.4240 7.9523 113.2158 61.4322 70.3871 174.1920 14 C 4.2416 8.7332 114.0681 57.4342 38.6327 173.4820 15 R 3.2862 7.7940 117.1047 56.0075 30.9780 176.6042 16 D 4.6892 7.1767 117.3713 52.8126 38.8619 175.7036 17 F 4.7852 7.7487 118.5723 57.7701 40.2402 176.0872 18 I 4.8915 9.1258 123.7240 59.5105 41.5147 174.4607 19 L 3.8997 8.4047 126.6273 54.2991 42.2629 176.2339 20 K 4.8105 8.3037 122.3288 54.2790 36.7859 174.7637 21 W 5.5798 9.3894 120.1716 55.3248 32.8050 174.6939 22 Y 5.6497 9.2293 120.0799 55.5342 41.7589 173.4183 23 Y 4.5431 9.7160 122.7341 56.8856 40.7875 173.6162 24 D 4.7562 8.0247 127.4005 51.8074 41.9364 175.2430 25 P 4.2087 0.0000 0.0000 65.2805 31.7076 177.5614 26 N 4.4664 8.4068 116.6520 55.3905 38.5369 175.8146 27 T 4.2858 7.7493 105.3625 60.3524 69.8565 174.2421 28 K 4.0813 7.9622 120.2840 56.0849 30.1857 174.8247 29 S 4.8559 7.0463 110.2192 57.6523 66.5460 173.4586 30 C 5.2180 9.1160 118.1062 56.0127 42.7851 173.1415 31 A 5.0384 8.5968 122.6777 50.2910 22.7266 175.5711 32 R 4.2446 8.0960 117.8563 55.7224 31.3972 176.0547 33 F 4.9572 8.5586 115.4368 55.6128 41.8719 172.9542 34 W 4.9069 8.9142 120.3522 55.8790 30.2224 174.9442 35 Y 5.1683 8.9457 127.0284 56.0878 40.0931 176.3821 36 G 3.2164 8.1141 113.0611 45.8089 0.0000 174.8738 37 G 3.7744 6.0760 107.5144 45.3578 0.0000 174.4987 38 C 4.9720 7.4196 116.2247 56.0163 43.9236 174.1234 39 G 4.1392 8.9097 108.2829 46.7023 0.0000 174.5176 40 G 4.0529 8.2597 109.7141 43.8603 0.0000 171.8748 41 N 5.0766 8.0572 115.7866 50.9851 40.2627 173.6721 42 E 4.0417 8.5678 115.6707 57.7952 30.0386 177.4005 43 N 4.7257 8.0227 120.0670 51.1078 36.8634 173.2700 44 K 4.8415 6.7439 119.0411 55.4571 35.4657 174.4871 45 F 5.0328 9.6028 126.0096 55.7842 43.0873 176.3092 46 G 3.8743 9.1859 109.6087 47.2257 0.0000 174.2876 47 S 4.6860 7.6994 114.0039 55.7013 67.3849 174.4995 48 Q 2.7628 7.1633 123.0644 58.5683 28.5181 178.5640 49 K 3.6824 7.4050 120.2890 59.2765 32.3261 178.3263 50 E 3.7906 7.8932 119.6037 59.2294 29.6196 177.8025 51 C 2.4500 7.5378 117.9756 59.3319 41.4456 175.5414 52 E 3.7420 8.0284 120.1519 59.0784 28.7253 179.5356 53 K 3.8372 7.5561 117.8985 59.4984 32.2211 179.3235 54 V 3.7026 7.3765 117.1374 65.0406 31.4772 175.8812 55 C 4.3665 7.5209 113.9881 57.3334 42.2990 174.5490 56 A 4.2875 7.3683 121.5041 50.7164 18.8471 175.6446 57 P 4.2956 0.0000 0.0000 66.5126 31.6053 177.6232 *58 V 3.8187 7.6546 119.4304 60.4193 31.5298 177.3745 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 E 8.44 4.24 0.00 1.85 1.56 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 0.00 2.16 2.31 0.00 2 T 8.83 3.91 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 1.26 0.00 0.00 3 D 9.49 4.40 0.00 2.69 2.69 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 4 I 7.83 3.82 1.92 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 1.43 1.25 0.92 0.00 0.00 5 C 8.45 4.68 0.00 3.03 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.74 4.39 0.00 1.82 1.90 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.48 7.81 7 L 7.61 4.22 0.00 1.79 1.61 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.38 0.00 2.09 2.01 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 9 K 8.08 3.02 0.00 0.79 1.14 0.00 1.31 0.00 0.00 0.94 0.00 0.00 2.69 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.67 0.21 7.81 10 D 7.64 4.51 0.00 2.64 2.41 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 11 E 8.86 4.62 0.00 2.21 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 2.93 2.41 0.00 12 G 8.19 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 13 T 7.95 4.42 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 1.18 0.00 0.00 14 C 8.73 4.24 0.00 3.01 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 15 R 7.79 3.29 0.00 1.63 1.85 0.00 3.53 0.00 0.00 3.44 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.49 0.00 16 D 7.18 4.69 0.00 2.52 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.75 4.79 0.00 2.97 3.13 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 18 I 9.13 4.89 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.98 0.94 0.00 0.00 19 L 8.40 3.90 0.00 1.13 1.10 0.51 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.30 4.81 0.00 0.79 1.52 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.29 7.81 21 W 9.39 5.58 0.00 3.43 3.22 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 0.00 22 Y 9.23 5.65 0.00 3.28 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 23 Y 9.72 4.54 0.00 3.11 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 24 D 8.02 4.76 0.00 2.38 2.32 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.21 0.00 2.26 2.34 0.00 3.81 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 26 N 8.41 4.47 0.00 2.84 2.90 0.00 0.00 6.88 7.06 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 27 T 7.75 4.29 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 1.21 0.00 0.00 28 K 7.96 4.08 0.00 1.96 2.03 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.15 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.31 7.81 29 S 7.05 4.86 0.00 3.83 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 30 C 9.12 5.22 0.00 2.88 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 31 A 8.60 5.04 1.09 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 0.00 0.00 0.00 0.00 0.00 32 R 8.10 4.24 0.00 1.28 1.25 0.00 2.80 0.00 0.00 2.67 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 33 F 8.56 4.96 0.00 3.04 3.04 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 0.00 0.00 0.00 34 W 8.91 4.91 0.00 3.26 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 35 Y 8.95 5.17 0.00 2.73 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 36 G 8.11 3.22 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 0.00 0.00 0.00 0.00 37 G 6.08 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.42 4.97 0.00 2.97 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 39 G 8.91 4.14 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 0.00 0.00 0.00 40 G 8.26 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.06 5.08 0.00 2.74 2.78 0.00 0.00 5.94 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 42 E 8.57 4.04 0.00 1.93 1.93 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 2.24 2.24 0.00 43 N 8.02 4.73 0.00 3.00 2.91 0.00 0.00 6.87 6.11 0.00 0.00 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 K 6.74 4.84 0.00 1.77 1.45 0.00 1.09 0.00 0.00 1.17 0.00 0.00 2.13 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.17 1.40 7.81 45 F 9.60 5.03 0.00 3.18 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 46 G 9.19 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 47 S 7.70 4.69 0.00 3.85 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 48 Q 7.16 2.76 0.00 0.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.95 0.00 0.00 0.00 0.00 0.00 1.86 1.42 0.00 49 K 7.40 3.68 0.00 1.69 1.63 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.37 7.81 50 E 7.89 3.79 0.00 2.12 1.93 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 2.46 2.47 0.00 51 C 7.54 2.45 0.00 2.78 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.03 3.74 0.00 1.83 1.86 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 2.26 2.33 0.00 53 K 7.56 3.84 0.00 1.78 1.78 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.50 7.81 54 V 7.38 3.70 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.02 0.00 0.00 55 C 7.52 4.37 0.00 2.64 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 0.00 0.00 0.00 56 A 7.37 4.29 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 57 P 0.00 4.30 0.00 2.20 2.22 0.00 3.83 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 *58 V 7.65 3.82 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 0.72 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.