NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.1768 0.0000 0.0000 62.5568 32.4989 179.1962 *3 G 3.9095 8.6105 108.1862 44.4129 0.0000 171.3191 4 P 4.5602 0.0000 0.0000 62.5104 30.1088 179.7645 *6 G 3.8693 8.7878 105.0049 44.2770 0.0000 171.8075 7 P 4.2336 0.0000 0.0000 63.4042 29.4719 179.1803 *9 G 3.8853 8.9744 104.0535 44.1396 0.0000 173.4866 10 P 4.5971 0.0000 0.0000 62.3068 30.1569 179.9551 *12 G 3.7435 8.7228 107.4684 44.6642 0.0000 171.5298 13 E 4.1870 8.3405 116.6023 55.2345 30.3525 176.7457 14 K 3.9967 8.4222 121.5743 56.2353 32.8172 176.9294 15 G 3.9806 8.3630 114.0130 44.6535 0.0000 173.4596 16 P 4.2679 0.0000 0.0000 63.2697 29.5632 179.2295 *18 G 3.8650 8.9513 105.8684 44.1513 0.0000 171.1786 19 P 4.1106 0.0000 0.0000 63.7426 29.4333 178.7805 *21 G 3.8783 8.9923 104.3498 44.0518 0.0000 172.5447 22 P 4.3666 0.0000 0.0000 63.0266 29.7340 179.3904 *24 G 3.8944 8.8747 106.8596 44.4828 0.0000 171.6570 25 P 4.5421 0.0000 0.0000 62.3948 29.8231 180.2139 *27 G 3.8925 8.8191 117.9133 45.3314 0.0000 171.5078 28 P 4.4206 0.0000 0.0000 63.0993 29.6781 176.6932 *30 G 3.7113 9.1994 105.9150 45.5920 0.0000 172.4978 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 P 0.00 4.18 0.00 2.19 1.19 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.97 0.00 *3 G 8.61 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.56 0.00 2.19 1.30 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 *6 G 8.79 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 0.00 0.00 0.00 7 P 0.00 4.23 0.00 2.19 1.59 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 *9 G 8.97 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.60 0.00 2.19 1.24 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 *12 G 8.72 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.34 4.19 0.00 2.09 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 2.27 2.29 0.00 14 K 8.42 4.00 0.00 1.74 1.75 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.44 7.81 15 G 8.36 3.98 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 0.00 0.00 0.00 16 P 0.00 4.27 0.00 2.19 1.56 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 *18 G 8.95 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 0.00 0.00 0.00 19 P 0.00 4.11 0.00 2.19 1.69 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 *21 G 8.99 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.37 0.00 2.19 1.51 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 *24 G 8.87 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.54 0.00 2.05 1.28 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 *27 G 8.82 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.42 0.00 2.19 1.49 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 *30 G 9.20 3.71 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.