NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1361 8.1185 123.5824 52.1533 20.5518 178.3614 *3 A 4.2947 7.9952 123.9276 53.8096 20.6938 179.7738 4 E 3.9474 8.1652 114.6294 59.4717 29.4603 179.3317 5 A 3.9860 8.1599 120.5929 55.0751 18.3698 179.4919 6 A 3.9418 7.9712 118.8552 55.2358 18.4015 179.2895 7 E 3.8728 8.4897 118.0313 59.3756 29.7506 179.1883 8 K 3.9681 8.2210 118.2887 59.3646 32.1313 179.1357 9 A 4.0587 8.2432 120.8211 55.2421 18.2938 179.5846 10 A 4.0004 8.3337 119.5413 55.2660 18.3612 180.0521 11 K 3.9620 8.5027 117.4704 59.5305 32.1046 178.8836 12 Y 4.0787 8.2368 119.6534 60.7681 38.6634 178.1599 13 A 3.6868 8.1316 121.3376 54.9964 18.3927 179.4609 14 A 3.8739 8.3383 119.7057 55.3215 18.4594 179.7805 15 E 3.8288 8.3884 117.1217 59.3072 29.4979 179.4404 16 A 3.8130 7.7572 120.5894 55.0567 18.3613 179.5571 17 A 3.8801 8.0826 119.5746 55.1987 18.3322 179.4439 18 E 3.8570 8.3733 118.0264 59.3159 29.7114 179.1758 19 K 3.9018 8.1305 118.2994 59.4408 31.8910 179.1725 20 A 3.9768 7.7736 119.7018 55.0488 18.3592 179.1961 21 A 4.0724 8.1403 118.7757 55.3029 18.5187 179.7566 22 K 4.1178 8.2007 116.1696 59.1214 32.2055 180.1778 23 A 4.1428 7.7955 120.0838 51.8789 18.4508 177.2145 *25 A 4.0515 8.0819 129.6733 54.0605 19.0372 177.5981 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 8.00 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 8.17 3.95 0.00 2.16 2.02 0.00 0.00 0.00 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 8.16 3.99 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 6 A 7.97 3.94 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 7 E 8.49 3.87 0.00 2.13 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 2.36 0.00 8 K 8.22 3.97 0.00 2.05 1.86 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.69 7.81 9 A 8.24 4.06 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.50 3.96 0.00 1.97 1.90 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.61 7.81 12 Y 8.24 4.08 0.00 3.10 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 3.69 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 14 A 8.34 3.87 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 15 E 8.39 3.83 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 2.46 2.47 0.00 16 A 7.76 3.81 0.99 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 17 A 8.08 3.88 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 18 E 8.37 3.86 0.00 2.07 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 2.28 2.33 0.00 19 K 8.13 3.90 0.00 1.98 1.82 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.61 7.81 20 A 7.77 3.98 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 21 A 8.14 4.07 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 22 K 8.20 4.12 0.00 1.85 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.56 7.81 23 A 7.80 4.14 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 *25 A 8.08 4.05 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 * Residues marked with a * may have inaccurate shift predictions.