NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1342 8.1185 123.5819 52.1402 20.7173 178.0558 *3 A 4.2863 7.8864 122.9761 53.2605 20.6416 179.5267 4 E 4.0652 8.1351 114.6202 59.4742 29.4484 179.3712 5 A 3.9858 8.2627 120.7096 54.8531 18.3769 179.4855 6 A 3.9208 7.9266 118.8594 55.2914 18.4597 179.0541 7 E 3.8537 8.6470 118.1704 59.3954 29.5973 178.9579 8 K 3.8948 8.0851 119.1598 59.5268 32.2399 178.5574 9 A 4.0037 8.1530 120.7225 55.2010 18.3313 179.4762 10 A 3.9762 8.3580 119.5938 55.2765 18.4045 180.0101 11 K 4.0089 8.4460 117.3548 59.6038 32.0719 178.9144 12 Y 4.0281 8.3564 119.7156 60.5821 38.6599 177.9192 13 A 3.8886 8.3638 121.5163 55.2148 18.4840 179.3949 14 A 3.9006 8.4109 119.5437 55.4839 18.3649 179.7345 15 E 3.8891 8.3514 116.8816 59.2938 29.3970 179.5161 16 A 3.7745 7.8995 120.6841 54.9933 18.3555 179.5244 17 A 3.8702 8.1545 119.6376 55.2284 18.4550 179.4352 18 E 3.8434 8.5223 118.2300 59.4134 29.6950 179.2141 19 K 3.9407 8.3423 118.5873 59.2602 31.8408 179.2126 20 A 3.9268 7.9706 120.0200 55.1604 18.4299 179.0161 21 A 4.0648 8.0284 118.3299 55.5148 18.4442 179.7369 22 K 4.1397 8.0416 115.6919 59.0186 32.2209 179.9146 23 A 4.1286 7.7579 119.2567 52.1188 18.4157 177.2079 *25 A 4.0518 8.0658 129.5220 54.0810 19.0372 177.6202 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 A 8.12 4.13 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *3 A 7.89 4.29 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.14 4.07 0.00 2.13 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 2.40 2.32 0.00 5 A 8.26 3.99 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 7.93 3.92 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.65 3.85 0.00 2.10 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 0.00 2.32 2.34 0.00 8 K 8.09 3.89 0.00 2.14 1.87 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.47 7.81 9 A 8.15 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.36 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.45 4.01 0.00 2.00 1.91 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.66 7.81 12 Y 8.36 4.03 0.00 2.98 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.36 3.89 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.41 3.90 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.35 3.89 0.00 1.98 1.93 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 2.37 2.46 0.00 16 A 7.90 3.77 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.15 3.87 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.52 3.84 0.00 1.98 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 0.00 2.28 2.33 0.00 19 K 8.34 3.94 0.00 1.98 1.80 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 20 A 7.97 3.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.03 4.06 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.04 4.14 0.00 1.87 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.52 7.81 23 A 7.76 4.13 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.07 4.05 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 * Residues marked with a * may have inaccurate shift predictions.