NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.4149 8.1627 120.3488 55.3630 34.1022 175.6651 3 K 4.2690 7.7786 118.2446 56.5013 32.6009 176.3573 *5 I 4.2093 7.8545 117.9396 61.1215 39.9054 179.5499 6 E 4.2912 8.2271 121.1558 55.9598 28.9442 178.2979 *8 K 4.4178 8.2277 118.1763 56.2334 34.0017 178.5821 9 L 4.2918 7.8947 117.2744 55.1003 41.1755 178.1933 *11 E 4.4540 8.3757 119.7273 56.7259 31.2429 178.1814 12 I 4.1695 7.4868 118.2120 61.7749 37.3440 177.5000 *14 S 4.6398 8.2729 115.5914 58.5522 63.8031 176.9210 15 K 4.4521 7.9253 118.4994 56.7193 31.3414 178.1612 *17 Y 4.4553 8.0047 119.8341 58.2207 40.2493 176.7110 18 H 4.5141 8.3249 114.4010 56.5459 28.8671 176.8683 *20 E 4.3434 8.3283 119.6268 56.6907 30.9632 178.1618 21 N 4.6472 7.4924 113.7402 53.7785 39.1825 176.8238 *23 L 4.3253 8.1329 119.1135 55.0139 43.5181 179.9901 24 A 4.2846 7.8738 118.6528 52.6843 18.0221 178.7275 *26 I 4.2516 7.9381 120.6908 63.1487 38.8512 180.6835 27 K 4.2091 8.1246 117.8858 56.4313 30.9546 178.3195 *29 L 4.3356 7.9577 120.6531 54.0874 43.6325 177.1253 30 L 4.2923 7.7048 121.9269 54.7204 41.7231 176.0817 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 2 M 8.16 4.41 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 3 K 7.78 4.27 0.00 2.09 1.77 0.00 1.98 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.39 1.09 7.81 *5 I 7.85 4.21 2.02 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 1.30 0.49 0.91 0.00 0.00 6 E 8.23 4.29 0.00 2.37 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.16 0.00 *8 K 8.23 4.42 0.00 2.00 1.88 0.00 1.74 0.00 0.00 2.00 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.42 7.81 9 L 7.89 4.29 0.00 1.83 1.69 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 *11 E 8.38 4.45 0.00 2.24 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 2.30 2.34 0.00 12 I 7.49 4.17 2.02 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 1.19 0.55 0.92 0.00 0.00 *14 S 8.27 4.64 0.00 3.91 4.10 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 0.00 0.00 0.00 0.00 15 K 7.93 4.45 0.00 1.96 1.85 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.72 1.54 7.81 *17 Y 8.00 4.46 0.00 3.07 3.10 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 0.00 0.00 0.00 0.00 18 H 8.32 4.51 0.00 3.34 3.39 0.00 5.93 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *20 E 8.33 4.34 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 2.24 2.29 0.00 21 N 7.49 4.65 0.00 2.32 2.58 0.00 0.00 5.87 6.22 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 *23 L 8.13 4.33 0.00 1.82 1.72 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.87 4.28 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 *26 I 7.94 4.25 1.99 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 1.41 1.12 0.90 0.00 0.00 27 K 8.12 4.21 0.00 1.92 1.82 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.40 7.81 *29 L 7.96 4.34 0.00 1.82 1.77 0.92 1.00 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 30 L 7.70 4.29 0.00 1.78 1.55 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.