NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 V 4.3656 7.8976 114.0190 60.3786 33.7911 174.3111 11 P 4.5135 0.0000 0.0000 62.9277 32.0448 173.2236 12 A 4.4413 9.0353 121.3816 51.4236 23.7775 176.6406 13 R 4.6230 8.1528 117.8087 54.7523 32.8463 175.8359 14 I 4.3854 8.8477 127.1838 60.1961 36.8258 175.3101 15 I 4.2116 8.1707 127.0925 61.2840 38.3576 175.3912 16 C 5.2721 8.3665 123.6291 59.3525 28.9553 174.5982 17 G 4.1304 8.3416 110.9730 45.9978 0.0000 172.2928 18 C 4.7187 7.9041 114.6440 57.6914 30.3266 175.3831 19 G 4.2482 8.4886 115.3367 47.4826 0.0000 174.5245 20 N 4.4234 7.6792 117.9537 54.0945 40.2450 173.7058 21 V 4.9021 8.0926 121.6132 61.7420 34.7398 173.7174 22 I 4.5055 8.8133 128.7382 59.7309 40.0942 174.7975 23 E 4.8625 8.7580 124.7863 54.5867 30.8165 175.1626 24 T 4.5250 8.3024 122.8188 60.9126 72.4036 172.7152 25 Y 5.2142 9.4786 118.4051 55.4331 43.9138 177.8070 26 S 5.4379 8.6605 121.7807 59.2281 62.4400 179.4913 27 T 4.4947 8.8609 103.9875 60.2765 71.6475 173.9918 28 K 3.6881 8.5997 116.3197 56.9490 31.1113 172.4982 29 P 4.4782 0.0000 0.0000 62.2697 31.2839 177.0226 30 E 4.6641 7.3511 114.7706 55.5495 34.1809 175.4370 31 I 4.6694 7.9067 123.0797 59.4711 42.0528 174.2484 32 Y 5.4783 7.9517 119.3499 56.8870 37.3305 175.5842 33 V 3.7240 8.3783 121.6100 62.4761 33.3755 176.9997 34 E 4.3513 8.4997 128.0188 55.5236 27.6198 172.2405 35 V 3.5968 7.7112 126.2705 62.3477 34.0097 171.1306 36 C 4.6839 8.2677 125.4809 58.0637 29.4284 176.8048 37 S 4.5715 8.4309 106.1339 57.9584 60.1042 174.3134 38 K 4.6489 7.4855 124.8915 56.3839 33.4907 176.5943 39 C 4.6191 7.9633 111.9184 59.4700 30.1357 174.5902 *40 H 4.5315 7.9092 119.6939 54.7564 28.2566 174.9759 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 10 V 7.90 4.37 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 0.77 0.00 0.00 0.95 0.00 0.00 11 P 0.00 4.51 0.00 1.88 1.80 0.00 3.87 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.05 0.00 12 A 9.04 4.44 1.22 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 13 R 8.15 4.62 0.00 1.69 1.80 0.00 3.07 0.00 0.00 3.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 14 I 8.85 4.39 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.62 0.93 0.00 0.00 15 I 8.17 4.21 2.28 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 1.20 0.81 1.05 0.00 0.00 16 C 8.37 5.27 0.00 3.10 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 17 G 8.34 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 0.00 0.00 0.00 18 C 7.90 4.72 0.00 3.05 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 19 G 8.49 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.68 4.42 0.00 2.82 2.74 0.00 0.00 6.55 7.71 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 21 V 8.09 4.90 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 0.82 0.00 0.00 0.99 0.00 0.00 22 I 8.81 4.51 1.87 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 1.24 0.33 0.91 0.00 0.00 23 E 8.76 4.86 0.00 1.76 1.78 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 2.12 2.22 0.00 24 T 8.30 4.52 4.36 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 1.24 0.00 0.00 25 Y 9.48 5.21 0.00 2.84 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 26 S 8.66 5.44 0.00 4.06 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 27 T 8.86 4.49 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 28 K 8.60 3.69 0.00 1.92 1.87 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.42 7.81 29 P 0.00 4.48 0.00 2.02 2.06 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.38 0.00 30 E 7.35 4.66 0.00 1.80 1.62 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 2.12 2.24 0.00 31 I 7.91 4.67 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.23 0.94 0.00 0.00 32 Y 7.95 5.48 0.00 2.75 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 33 V 8.38 3.72 2.11 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 1.02 0.00 0.00 0.97 0.00 0.00 34 E 8.50 4.35 0.00 1.98 1.89 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 2.31 2.34 0.00 35 V 7.71 3.60 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 0.77 0.00 0.00 0.92 0.00 0.00 36 C 8.27 4.68 0.00 3.12 2.79 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 0.00 0.00 0.00 0.00 37 S 8.43 4.57 0.00 4.00 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 38 K 7.49 4.65 0.00 1.67 1.74 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.45 7.81 39 C 7.96 4.62 0.00 2.96 2.81 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 0.00 0.00 0.00 0.00 *40 H 7.91 4.53 0.00 2.67 2.88 0.00 5.87 0.00 0.00 0.00 0.00 6.91 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.