NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2738 8.1127 120.8599 56.7259 32.1444 176.6745 2 M 4.3023 7.6825 116.3634 55.6460 31.9704 176.1614 *4 Q 4.3052 8.3570 117.8744 55.4488 32.1854 176.3468 5 L 4.1015 8.2835 119.6610 58.3180 42.1604 180.6539 6 E 4.3338 8.2259 116.9300 56.3517 28.7956 178.4430 *8 K 4.3557 8.1937 120.2700 56.5832 34.1074 177.2180 9 V 3.8769 7.4336 117.2493 63.4509 31.4772 177.5056 *11 E 4.2217 8.2116 119.3979 55.4514 31.6702 176.9483 12 L 4.2744 7.5572 120.1387 57.0857 42.6446 178.9866 13 L 4.1362 7.9093 116.9397 55.4848 41.4580 177.4050 *15 K 4.3789 8.1960 119.7549 56.0761 33.7752 177.9517 16 N 4.6838 8.0236 116.3188 54.0890 38.3006 176.1360 *18 H 4.7116 8.3491 116.9551 55.7856 31.8354 174.2981 19 L 4.0662 8.1744 119.2564 57.9421 41.4828 180.7026 20 E 3.9797 7.9208 116.8274 56.3759 28.7004 178.0968 *22 E 4.3403 8.3405 120.2464 56.4746 31.5978 177.2888 23 V 4.1560 7.5478 117.4818 63.4542 31.8113 177.9636 *25 R 4.2656 8.1011 118.4482 55.7639 32.1415 177.1010 26 L 4.1095 8.1992 119.4782 58.1538 42.1905 181.1330 27 K 4.3518 8.1128 118.9583 55.9843 31.0697 178.6153 *29 L 4.3351 8.0496 118.8207 54.7433 43.5856 177.4914 30 V 3.8325 8.0292 121.3168 63.0162 31.3781 175.4221 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 R 8.11 4.27 0.00 1.90 1.99 0.00 3.19 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 2 M 7.68 4.30 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.62 0.00 *4 Q 8.36 4.31 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 5 L 8.28 4.10 0.00 1.85 1.80 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.23 4.33 0.00 1.95 1.97 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 2.35 2.57 0.00 *8 K 8.19 4.36 0.00 2.00 1.89 0.00 1.54 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.50 7.81 9 V 7.43 3.88 2.21 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 1.14 0.00 0.00 1.00 0.00 0.00 *11 E 8.21 4.22 0.00 2.23 2.04 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 2.21 2.30 0.00 12 L 7.56 4.27 0.00 1.83 1.79 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.91 4.14 0.00 1.69 1.64 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 *15 K 8.20 4.38 0.00 1.99 1.99 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.52 7.81 16 N 8.02 4.68 0.00 2.86 2.94 0.00 0.00 6.85 7.44 0.00 0.00 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 H 8.35 4.71 0.00 3.14 3.54 0.00 5.98 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.17 4.07 0.00 2.00 1.67 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.92 3.98 0.00 1.95 1.97 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 2.40 2.43 0.00 *22 E 8.34 4.34 0.00 2.09 1.98 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 2.06 2.15 0.00 23 V 7.55 4.16 2.13 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 0.88 0.00 0.00 0.96 0.00 0.00 *25 R 8.10 4.27 0.00 2.01 2.01 0.00 3.26 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 1.53 1.62 0.00 26 L 8.20 4.11 0.00 1.78 1.83 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.11 4.35 0.00 1.72 1.82 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.55 7.81 *29 L 8.05 4.34 0.00 1.82 1.76 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.03 3.83 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 0.80 0.00 0.00 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.