NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.7911 8.1827 119.3948 57.2216 40.1512 175.3052 2 V 3.5295 8.5052 126.3994 63.9302 31.4452 175.8880 3 N 4.3372 9.1927 117.8867 56.5075 37.3469 176.6373 4 Q 4.0667 8.1745 119.9957 58.5080 28.7490 177.8797 5 H 4.2578 8.0752 119.4330 59.3189 29.7455 177.3411 6 L 3.9706 8.3324 121.0335 57.9276 41.5302 178.9453 7 C 4.2297 8.2517 118.7108 62.6276 31.4762 175.8900 8 G 3.7321 8.2418 107.1902 47.6358 0.0000 175.2712 9 S 3.9438 7.6792 115.5893 61.8479 62.3401 176.3015 10 H 4.1077 7.8196 118.4524 58.7830 28.4598 177.8929 11 L 3.9979 8.3907 121.2050 57.6885 41.4309 179.9378 12 V 3.3010 7.7141 112.5888 64.1181 30.8354 178.4802 13 E 3.9376 7.8228 118.2654 59.2900 29.2537 179.2233 14 A 3.9930 7.8598 120.7388 55.0844 18.3770 179.6551 15 L 3.6344 7.6246 117.4993 57.7342 41.4162 178.7749 16 Y 4.3863 7.6834 119.4631 61.0235 38.4394 178.5682 17 L 3.8365 7.3837 117.0500 57.8235 41.8679 179.4734 18 V 3.6910 7.8086 117.1886 66.2239 31.3494 177.5912 19 C 4.3101 8.7022 116.8530 60.4380 28.5339 175.2530 20 G 3.7639 8.2949 109.7661 45.8846 0.0000 174.9086 21 E 3.8751 9.1675 121.9317 59.3496 29.3181 178.5288 22 R 3.8802 7.5685 115.6858 57.1808 30.2286 177.9413 23 G 3.9174 9.0157 106.0608 45.0976 0.0000 171.4501 24 F 4.9192 7.5841 112.4783 55.9112 40.3719 172.9014 25 F 4.8843 8.3080 115.5374 54.9903 39.5734 174.1583 26 Y 4.6431 8.8631 125.5348 56.2072 39.6080 174.8642 27 T 4.4542 7.8363 118.4170 58.5471 68.5847 172.1248 28 P 3.9593 0.0000 0.0000 66.9279 32.0795 177.9431 29 K 3.9058 7.8829 126.4292 54.5215 30.6520 179.4625 *30 T 4.2236 7.7653 115.9540 60.7781 69.0835 174.8742 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 F 8.18 4.79 0.00 3.16 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 2 V 8.51 3.53 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 1.18 0.00 0.00 0.95 0.00 0.00 3 N 9.19 4.34 0.00 2.98 3.12 0.00 0.00 6.28 7.39 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 4 Q 8.17 4.07 0.00 2.44 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.93 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 5 H 8.08 4.26 0.00 3.34 3.55 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.33 3.97 0.00 1.87 1.74 0.95 0.69 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 7 C 8.25 4.23 0.00 3.13 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 8 G 8.24 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.68 3.94 0.00 3.71 3.79 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 10 H 7.82 4.11 0.00 3.32 3.29 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.39 4.00 0.00 1.75 1.66 1.04 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.71 3.30 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 0.18 0.00 0.00 0.79 0.00 0.00 13 E 7.82 3.94 0.00 2.02 1.96 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 2.43 2.38 0.00 14 A 7.86 3.99 1.26 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 0.00 0.00 15 L 7.62 3.63 0.00 0.79 0.33 0.60 0.43 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 16 Y 7.68 4.39 0.00 3.26 3.23 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 17 L 7.38 3.84 0.00 1.92 1.71 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.81 3.69 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.92 0.00 0.00 19 C 8.70 4.31 0.00 3.23 3.25 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 20 G 8.29 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.17 3.88 0.00 1.92 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 2.30 2.37 0.00 22 R 7.57 3.88 0.00 1.99 2.03 0.00 3.33 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 23 G 9.02 3.92 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 0.00 0.00 0.00 24 F 7.58 4.92 0.00 2.93 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 25 F 8.31 4.88 0.00 3.22 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 26 Y 8.86 4.64 0.00 3.18 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 27 T 7.84 4.45 4.27 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 0.00 0.00 0.00 1.33 0.00 0.00 28 P 0.00 3.96 0.00 2.20 2.17 0.00 3.71 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 29 K 7.88 3.91 0.00 1.79 1.72 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.04 7.81 *30 T 7.77 4.22 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.