NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1357 8.1185 123.5821 52.1398 20.4897 178.7352 *3 A 4.2695 8.0519 124.4434 53.8930 20.7809 179.7489 4 E 3.9469 8.1836 114.6259 59.5271 29.5285 179.3285 5 A 3.9613 8.2890 120.7053 54.9891 18.3433 179.5446 6 A 3.9389 7.9200 118.8553 55.2078 18.4635 179.2879 7 E 3.8522 8.4566 118.1201 59.3131 29.7751 178.9304 8 K 3.9205 8.2726 119.5231 59.4347 32.2430 178.6266 9 A 3.9920 8.1447 120.7880 55.1164 18.2706 179.4698 10 A 3.9772 8.3127 119.5850 55.2444 18.3912 179.9391 11 K 3.8883 8.3505 117.2438 59.7381 32.0916 178.7920 12 Y 3.9188 8.2095 119.4594 60.7601 38.6554 178.1137 13 A 4.0435 8.4224 121.4210 55.1045 18.3808 179.4670 14 A 3.9126 8.2707 119.4106 55.3688 18.4523 179.7524 15 E 3.8079 8.3758 117.0666 59.4199 29.5254 179.4805 16 A 3.8204 7.9719 120.6895 54.9792 18.3253 179.5854 17 A 3.9187 8.1733 119.4851 55.1387 18.4432 179.3989 18 E 3.8337 8.3722 118.0708 59.4855 29.6568 179.2305 19 K 3.9248 8.1843 118.2604 59.4028 31.8463 179.2324 20 A 3.9463 7.9171 119.9466 54.9621 18.3537 179.2054 21 A 4.0793 8.0448 118.6936 55.3258 18.5471 179.7449 22 K 4.1145 8.0195 115.7176 59.2177 32.1689 180.0463 23 A 4.1398 7.9098 119.2006 52.1259 18.4561 177.2211 *25 A 4.0529 8.0684 129.5526 54.0820 19.0373 177.6184 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 8.05 4.27 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 8.18 3.95 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 8.29 3.96 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 6 A 7.92 3.94 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 8.46 3.85 0.00 2.12 2.11 0.00 0.00 0.00 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 2.33 0.00 8 K 8.27 3.92 0.00 1.95 1.93 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.49 7.81 9 A 8.14 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 10 A 8.31 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 11 K 8.35 3.89 0.00 2.05 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 1.59 7.81 12 Y 8.21 3.92 0.00 3.19 3.14 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 0.00 0.00 0.00 13 A 8.42 4.04 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 3.91 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 15 E 8.38 3.81 0.00 1.92 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 16 A 7.97 3.82 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 3.92 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 18 E 8.37 3.83 0.00 2.07 2.06 0.00 0.00 0.00 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 8.18 3.92 0.00 2.00 1.80 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.50 7.81 20 A 7.92 3.95 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 8.04 4.08 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 8.02 4.11 0.00 1.87 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.55 7.81 23 A 7.91 4.14 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 1.34 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 * Residues marked with a * may have inaccurate shift predictions.