NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.8253 8.4544 115.5912 55.3433 41.1243 172.2551 2 R 4.4500 9.0455 120.2259 53.2618 31.8286 173.8646 3 I 4.6846 9.1121 124.0011 61.4632 38.5887 177.7433 *5 N 4.8353 9.3156 118.9067 52.6218 40.3173 173.2935 6 Q 4.6241 7.6138 117.2442 53.9468 31.2017 175.2995 7 K 4.5933 8.3967 121.1048 57.6251 33.1130 174.8554 8 C 4.5676 8.8554 117.5957 54.7189 46.0101 172.9028 9 F 4.9377 8.3426 117.4693 55.5121 40.4548 177.1449 10 Q 4.0601 8.8759 124.9579 58.7170 28.6480 177.0783 11 H 4.4164 8.2990 111.4876 56.1140 28.9358 174.8424 12 L 4.5514 8.2335 124.1087 53.2805 41.9818 176.0992 13 D 4.4990 8.5670 125.2118 54.5150 40.0969 176.3540 14 D 4.6708 7.6303 121.3738 53.6079 39.5144 175.4497 15 C 5.0615 7.8685 116.9758 56.4495 41.8753 176.0882 16 C 4.0107 9.0514 123.5858 59.5703 39.9255 174.9492 17 S 4.2373 7.8403 111.4663 57.9535 63.6318 173.0276 18 R 4.4103 8.6347 122.0185 55.9915 29.7094 175.4509 19 K 4.5715 7.8553 117.1681 54.4502 34.7473 175.0257 20 C 5.0343 8.6229 125.3801 55.2038 41.5730 171.8988 21 N 5.0278 8.6530 122.6928 50.4270 39.6019 175.2984 22 R 3.7822 8.1464 113.4649 58.6297 29.3757 177.1745 23 F 4.6944 8.0873 116.6134 57.3867 39.1859 175.8074 24 N 4.5343 8.2285 118.0891 52.6323 36.1256 173.1959 25 K 5.0042 7.6638 118.9651 55.1231 35.5515 175.3755 26 C 4.9947 8.3282 123.3495 56.1845 41.1155 174.2683 27 V 3.8894 8.5392 116.7037 61.6911 30.7237 176.1570 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 C 8.45 4.83 0.00 3.19 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.05 4.45 0.00 1.92 1.89 0.00 3.06 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 3 I 9.11 4.68 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 0.66 0.91 0.00 0.00 *5 N 9.32 4.84 0.00 2.65 2.95 0.00 0.00 6.75 7.69 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 6 Q 7.61 4.62 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.99 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 7 K 8.40 4.59 0.00 1.79 1.74 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.31 7.81 8 C 8.86 4.57 0.00 2.86 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 9 F 8.34 4.94 0.00 3.20 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 8.88 4.06 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.05 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 11 H 8.30 4.42 0.00 3.22 3.41 0.00 5.49 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 12 L 8.23 4.55 0.00 2.02 1.70 0.90 1.52 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 13 D 8.57 4.50 0.00 2.84 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 14 D 7.63 4.67 0.00 2.96 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 15 C 7.87 5.06 0.00 3.01 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 16 C 9.05 4.01 0.00 2.92 3.18 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 17 S 7.84 4.24 0.00 3.97 3.97 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 0.00 0.00 0.00 18 R 8.63 4.41 0.00 1.80 2.43 0.00 3.25 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 19 K 7.86 4.57 0.00 1.78 1.59 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.37 7.81 20 C 8.62 5.03 0.00 2.97 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 21 N 8.65 5.03 0.00 2.85 2.91 0.00 0.00 7.00 7.42 0.00 0.00 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 R 8.15 3.78 0.00 1.67 1.87 0.00 2.80 0.00 0.00 2.95 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.03 0.00 23 F 8.09 4.69 0.00 3.25 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 24 N 8.23 4.53 0.00 3.12 3.18 0.00 0.00 6.42 7.07 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 25 K 7.66 5.00 0.00 1.87 1.73 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.48 7.81 26 C 8.33 4.99 0.00 2.96 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 27 V 8.54 3.89 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 0.75 0.00 0.00 1.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.