NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1734 8.1127 119.7066 56.0998 31.8209 176.4465 *3 K 4.2056 8.9381 128.9005 57.5715 33.6265 176.9874 4 Q 4.4492 7.7422 117.4610 56.4042 28.5377 178.2704 *6 E 4.2837 8.3586 118.1957 56.7374 31.7373 177.5383 7 D 4.4845 8.2330 118.3631 57.3594 40.9312 179.0377 8 K 4.3306 7.8243 118.5978 56.6937 31.9723 177.5506 *10 E 4.3755 8.3960 118.7107 55.9321 31.2576 177.7771 11 E 4.1392 8.1007 116.3637 56.8483 29.0813 177.9751 *13 L 4.1174 7.9900 118.9889 54.7993 43.9210 178.1599 14 S 4.3936 8.5167 114.8386 61.6631 62.7925 177.6747 15 K 4.3780 7.7908 119.3964 56.8493 31.4689 177.4193 *17 Y 4.9221 8.0960 115.9510 58.1895 39.7164 177.6483 18 H 4.7370 8.1772 115.5158 56.4083 28.4723 177.2586 *20 E 4.2431 8.3320 120.7973 56.4941 31.3518 176.6149 21 N 4.5290 8.6696 116.3448 56.5377 38.6165 177.8232 22 E 4.0737 8.0432 117.1121 56.4011 29.4636 177.6660 *24 A 4.4152 8.2189 120.9097 51.9618 20.4471 180.1044 25 R 4.2925 7.7604 114.9414 56.8115 29.9131 178.2961 *27 K 4.1496 8.2011 118.1933 55.8896 34.0243 176.6435 28 K 4.0832 8.2957 119.9836 59.6592 32.1812 181.0875 29 L 4.0817 7.9014 118.1906 54.6132 40.8219 179.0760 *31 G 3.9945 8.2725 108.4100 45.5361 0.0000 173.5912 32 E 4.1773 7.9406 123.0485 56.1115 29.5311 176.2871 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 4.17 0.00 1.89 1.05 0.00 3.12 0.00 0.00 3.34 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 *3 K 8.94 4.21 0.00 1.91 1.84 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.04 7.81 4 Q 7.74 4.45 0.00 2.28 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.29 6.17 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 *6 E 8.36 4.28 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 7 D 8.23 4.48 0.00 2.99 2.71 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 0.00 0.00 0.00 0.00 8 K 7.82 4.33 0.00 1.81 1.79 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.42 7.81 *10 E 8.40 4.38 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 11 E 8.10 4.14 0.00 2.06 2.06 0.00 0.00 0.00 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 2.26 0.00 *13 L 7.99 4.12 0.00 1.65 1.98 0.88 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.52 4.39 0.00 4.06 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.79 4.38 0.00 1.89 1.80 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.48 7.81 *17 Y 8.10 4.92 0.00 3.17 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 4.74 0.00 3.38 3.31 0.00 5.66 0.00 0.00 0.00 0.00 7.14 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 4.24 0.00 1.96 2.29 0.00 0.00 0.00 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 2.37 0.00 21 N 8.67 4.53 0.00 3.02 2.89 0.00 0.00 6.86 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 E 8.04 4.07 0.00 2.02 1.95 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 2.33 2.31 0.00 *24 A 8.22 4.42 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.76 4.29 0.00 1.89 2.06 0.00 3.13 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 *27 K 8.20 4.15 0.00 1.79 2.03 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.44 7.81 28 K 8.30 4.08 0.00 1.92 2.00 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.14 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.42 7.81 29 L 7.90 4.08 0.00 1.78 1.68 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 *31 G 8.27 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.94 4.18 0.00 2.01 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.