NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1372 8.1185 123.5822 52.1350 20.5117 178.3848 *3 A 4.3034 7.9763 124.3146 53.8398 20.7785 179.7534 4 E 3.9410 8.2102 114.6229 59.5411 29.5329 179.3460 5 A 3.9812 8.1335 120.5170 55.0767 18.3693 179.4989 6 A 3.9542 7.9626 118.8682 55.2087 18.3988 179.2731 7 E 3.8730 8.4644 118.0030 59.4212 29.6825 179.2260 8 K 3.9811 8.1779 118.2845 59.3223 32.0736 179.1424 9 A 4.0022 8.1842 120.7973 55.2074 18.2548 179.5578 10 A 3.9805 8.3275 119.5275 55.2652 18.4233 179.9807 11 K 3.9072 8.4642 117.4072 59.6187 32.0292 178.8354 12 Y 3.9034 8.3243 119.6563 60.7168 38.7028 178.0399 13 A 3.9727 8.3474 121.4186 55.1026 18.3819 179.3975 14 A 3.8837 8.2762 119.4963 55.4213 18.4402 179.5702 15 E 3.7866 8.2820 117.6418 59.1112 29.7368 178.8297 16 A 3.7650 7.9584 120.9162 54.9966 18.3505 179.4830 17 A 3.9033 8.1108 119.4344 55.1802 18.3556 179.3451 18 E 3.8449 8.4470 118.2011 59.4592 29.6540 179.2707 19 K 3.9130 8.2539 118.3285 59.3123 31.8614 179.2053 20 A 3.9399 7.7096 119.6334 55.1114 18.4035 179.1430 21 A 4.0754 8.0794 118.4885 55.3502 18.4993 179.7551 22 K 4.1182 8.2173 116.1477 59.1406 32.2157 180.3479 23 A 4.1308 7.7189 119.9536 51.8734 18.4315 177.2175 *25 A 4.0516 8.0811 129.6453 54.0655 19.0371 177.6015 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 4.14 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 7.98 4.30 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 8.21 3.94 0.00 2.17 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 2.33 0.00 5 A 8.13 3.98 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 6 A 7.96 3.95 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 7 E 8.46 3.87 0.00 2.14 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 0.00 2.32 2.36 0.00 8 K 8.18 3.98 0.00 2.02 1.87 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.66 7.81 9 A 8.18 4.00 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 10 A 8.33 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 8.46 3.91 0.00 2.04 1.90 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.59 7.81 12 Y 8.32 3.90 0.00 3.11 3.15 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 0.00 0.00 0.00 13 A 8.35 3.97 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 14 A 8.28 3.88 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 15 E 8.28 3.79 0.00 1.96 1.74 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 2.19 2.25 0.00 16 A 7.96 3.76 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.11 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 18 E 8.45 3.84 0.00 2.06 2.09 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 2.28 2.34 0.00 19 K 8.25 3.91 0.00 1.92 1.80 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.54 7.81 20 A 7.71 3.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 4.08 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 22 K 8.22 4.12 0.00 1.91 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.56 7.81 23 A 7.72 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 8.08 4.05 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 * Residues marked with a * may have inaccurate shift predictions.