NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1304 8.1185 123.5811 52.1406 20.5529 178.2185 *3 A 4.2474 7.9449 123.8460 53.5533 20.7540 179.2873 4 E 3.8682 8.2788 115.3706 59.4492 29.4899 178.8428 5 A 3.9332 8.4495 120.7555 55.1466 18.4205 179.3799 6 A 3.8958 7.9489 118.8281 55.2370 18.3782 179.2623 7 E 3.8003 8.4452 118.0619 59.4216 29.7287 179.2380 8 K 3.6070 8.0326 118.2301 59.2089 32.0586 179.1578 9 A 4.0391 8.1568 121.0455 55.1763 18.2204 179.6048 10 A 3.9776 8.1966 119.4288 55.2104 18.3942 180.0710 11 K 3.9025 8.3071 117.4582 59.5676 32.0544 179.2357 12 Y 4.3694 7.9183 116.9750 61.1475 37.7514 178.4346 13 A 4.0539 8.2461 121.4402 55.1525 18.4468 179.5584 14 A 3.9439 8.2220 119.4616 55.4119 18.4717 179.7952 15 E 3.9447 8.5581 117.0505 59.2385 29.6161 179.4009 16 A 3.9721 8.2101 120.6978 55.2278 18.5073 179.5630 17 A 3.9791 8.2563 119.5016 55.2805 18.4160 179.5156 18 E 3.9641 8.4642 118.0205 58.9573 29.6706 178.7254 19 K 3.8186 8.1368 119.6814 59.5809 32.0116 178.5896 20 A 3.9458 7.6516 118.6311 55.0896 18.4098 178.9979 21 A 4.0959 8.1804 118.4753 55.4490 18.5206 179.7699 22 K 4.1385 8.3942 115.9545 59.2369 32.1291 179.9731 23 A 4.0919 7.6583 117.4186 52.5000 18.2116 177.2180 *25 A 4.0583 8.0210 129.1673 54.0041 19.0387 177.6093 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 7.94 4.25 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 4 E 8.28 3.87 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 5 A 8.45 3.93 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 6 A 7.95 3.90 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 7 E 8.45 3.80 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 8 K 8.03 3.61 0.00 1.83 1.36 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.49 7.81 9 A 8.16 4.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 3.98 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 11 K 8.31 3.90 0.00 1.70 1.77 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.50 7.81 12 Y 7.92 4.37 0.00 3.16 2.89 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 13 A 8.25 4.05 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 14 A 8.22 3.94 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 15 E 8.56 3.94 0.00 2.07 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 2.55 2.54 0.00 16 A 8.21 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 3.96 0.00 2.06 2.19 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 2.31 2.32 0.00 19 K 8.14 3.82 0.00 2.13 1.86 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.62 7.81 20 A 7.65 3.95 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 8.18 4.10 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 22 K 8.39 4.14 0.00 1.90 1.89 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.48 1.56 7.81 23 A 7.66 4.09 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 *25 A 8.02 4.06 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 * Residues marked with a * may have inaccurate shift predictions.