NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8375 8.2133 109.7224 44.8194 0.0000 174.4879 3 K 3.6400 8.3698 117.9867 57.3950 31.7983 176.1930 4 G 3.7096 7.5655 106.1395 45.0150 0.0000 173.3353 5 D 4.4663 8.1567 120.8780 52.9605 39.4577 176.1575 6 R 3.8619 8.3367 124.5481 59.0094 30.6187 177.3699 7 R 3.5096 7.1503 115.6045 55.1323 30.0253 176.0571 8 T 4.6302 7.1825 106.8572 60.0599 73.2052 171.7779 9 R 3.7627 8.9405 118.4815 60.8441 29.6269 177.9639 10 R 4.1145 8.1213 117.9390 59.2819 29.8975 178.6245 11 G 3.9704 7.4252 106.5170 47.5625 0.0000 175.7719 12 K 4.1026 8.4740 121.0783 58.3468 31.9805 179.4054 13 I 3.6741 7.5724 119.5113 64.5072 37.2066 177.9062 14 W 4.1079 8.4365 128.0630 60.3924 30.5474 177.6592 15 R 4.0849 7.6444 117.4096 57.0849 29.6444 177.4432 16 G 3.7613 8.6160 106.4537 45.2555 0.0000 172.8173 17 T 4.5496 7.2506 108.8102 60.0566 71.1578 172.8799 18 Y 4.9039 7.9043 118.0697 56.5633 41.9048 176.1808 19 G 4.1390 7.9972 108.0509 45.8437 0.0000 173.9907 20 K 3.8522 9.1260 119.8205 59.1177 32.2127 178.0740 21 Y 4.4425 7.9733 113.5874 58.0633 38.9646 176.1688 22 R 4.7297 7.8743 119.2478 55.1741 31.6145 171.6309 23 P 4.7350 0.0000 0.0000 62.5907 32.7534 178.0840 24 R 4.1467 8.0716 119.7292 55.0075 28.3705 176.7892 25 K 3.8264 8.0007 125.2201 55.8900 32.7709 176.4908 *26 K 4.1330 8.3619 120.7790 54.7636 32.3269 174.6292 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 2 G 8.21 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.37 3.64 0.00 1.27 0.81 0.00 1.49 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.36 7.81 4 G 7.57 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 8.16 4.47 0.00 2.62 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.34 3.86 0.00 1.76 1.97 0.00 3.24 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 7 R 7.15 3.51 0.00 1.64 0.97 0.00 3.04 0.00 0.00 3.11 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.32 0.00 8 T 7.18 4.63 4.23 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 1.16 0.00 0.00 9 R 8.94 3.76 0.00 1.98 1.89 0.00 3.27 0.00 0.00 3.37 8.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 10 R 8.12 4.11 0.00 1.89 2.00 0.00 3.20 0.00 0.00 3.35 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 11 G 7.43 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.47 4.10 0.00 1.85 1.99 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.21 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.53 7.81 13 I 7.57 3.67 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.64 0.92 0.00 0.00 14 W 8.44 4.11 0.00 3.28 3.31 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 15 R 7.64 4.08 0.00 2.23 2.08 0.00 3.69 0.00 0.00 3.60 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 16 G 8.62 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.25 4.55 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 18 Y 7.90 4.90 0.00 2.90 3.01 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 0.00 0.00 0.00 19 G 8.00 4.14 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 0.00 0.00 0.00 20 K 9.13 3.85 0.00 1.68 1.81 0.00 1.64 0.00 0.00 1.43 0.00 0.00 2.33 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.80 1.25 7.81 21 Y 7.97 4.44 0.00 2.99 3.02 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 0.00 0.00 0.00 22 R 7.87 4.73 0.00 1.86 1.81 0.00 2.93 0.00 0.00 2.92 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 23 P 0.00 4.73 0.00 2.11 2.01 0.00 3.77 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.32 0.00 24 R 8.07 4.15 0.00 1.66 1.69 0.00 3.02 0.00 0.00 2.70 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.28 0.00 25 K 8.00 3.83 0.00 1.89 1.84 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.42 7.81 *26 K 8.36 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.