NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1739 8.1127 119.7060 56.0706 31.6405 177.0516 *3 K 4.2345 8.6992 127.1865 57.4612 33.6717 175.8974 4 Q 4.4928 7.7923 117.1275 56.5697 29.1360 178.0655 *6 E 4.2588 8.3011 117.3581 56.7379 31.6851 177.5160 7 D 4.4738 8.2423 118.3651 57.3661 40.9413 178.7924 8 K 4.3194 7.5983 117.7727 56.8794 31.9597 177.5969 *10 E 4.3743 8.3633 118.0634 56.0511 31.3317 178.7643 11 E 4.5137 8.1916 117.8696 55.9791 29.0774 178.5939 *13 L 3.7723 8.0891 117.3048 54.1378 43.1971 178.6358 14 S 4.3414 8.2272 113.3622 61.2564 62.9954 175.3852 15 K 4.0767 7.5941 119.3059 56.9637 32.3784 178.0547 *17 Y 5.0331 8.0458 116.9273 58.7574 39.7340 178.1520 18 H 4.7260 8.0570 118.1375 56.7308 29.6425 177.0019 *20 E 4.2885 8.3473 117.7829 56.1701 31.3614 177.2953 21 N 4.5154 8.5311 116.1593 56.6738 38.6547 178.8876 22 E 4.2816 8.1276 116.8858 56.4794 29.2169 178.6360 *24 A 4.3870 8.1893 122.0052 52.5102 20.5921 180.4870 25 R 4.3212 7.9906 115.0050 56.7734 29.8633 178.3046 *27 K 4.1971 8.1614 118.6976 55.8827 33.8538 176.8147 28 K 4.0661 8.2602 118.7991 59.5267 32.3182 180.2889 29 L 4.0619 8.4083 120.5881 55.0020 41.0775 178.7010 *31 G 3.8686 8.0904 106.4971 44.3189 0.0000 173.5095 32 E 4.2523 8.1539 123.9936 56.4292 29.7020 175.6438 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 R 8.11 4.17 0.00 1.86 1.22 0.00 3.28 0.00 0.00 3.33 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 *3 K 8.70 4.23 0.00 1.85 1.84 0.00 1.59 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.53 7.81 4 Q 7.79 4.49 0.00 2.32 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.26 6.17 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 *6 E 8.30 4.26 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 7 D 8.24 4.47 0.00 2.84 2.71 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 8 K 7.60 4.32 0.00 1.92 1.78 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.44 7.81 *10 E 8.36 4.37 0.00 2.18 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 2.29 2.25 0.00 11 E 8.19 4.51 0.00 2.05 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 2.29 2.23 0.00 *13 L 8.09 3.77 0.00 1.73 1.22 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.23 4.34 0.00 4.02 4.20 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.59 4.08 0.00 1.77 1.87 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.56 7.81 *17 Y 8.05 5.03 0.00 3.23 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.06 4.73 0.00 3.38 3.45 0.00 5.81 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *20 E 8.35 4.29 0.00 2.30 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 21 N 8.53 4.52 0.00 2.95 2.89 0.00 0.00 7.20 7.40 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 22 E 8.13 4.28 0.00 1.84 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 *24 A 8.19 4.39 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 25 R 7.99 4.32 0.00 2.00 1.89 0.00 3.13 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 *27 K 8.16 4.20 0.00 1.78 2.04 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.44 7.81 28 K 8.26 4.07 0.00 1.84 2.04 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.37 7.81 29 L 8.41 4.06 0.00 1.81 1.61 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 *31 G 8.09 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.15 4.25 0.00 2.10 1.84 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 2.25 2.44 0.00 * Residues marked with a * may have inaccurate shift predictions.