NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1736 8.3049 120.1728 54.9942 32.7016 173.9759 2 W 4.5743 7.2420 119.9987 55.1658 30.4074 174.8901 3 D 4.6942 9.4864 123.8521 54.1959 42.3669 176.0715 4 F 4.4383 8.5679 124.4743 55.7521 37.8787 174.2921 5 D 4.6470 8.2253 122.3524 54.4841 39.9113 176.2388 6 D 4.9592 8.1009 129.0098 53.4108 42.0951 174.8295 *8 M 4.2401 8.2740 121.2012 55.0235 32.3434 172.9748 9 P 4.2853 0.0000 0.0000 61.6439 31.9438 174.3660 10 P 4.1267 0.0000 0.0000 63.6742 31.4966 176.2919 11 A 4.7475 8.4845 123.9032 51.5812 19.4030 175.0202 12 D 4.6569 7.8284 117.4631 55.3703 44.9037 175.4371 13 E 4.5063 8.2545 117.2947 56.7516 29.9391 175.8186 14 D 4.4241 6.2909 128.8081 52.9655 41.7349 176.4929 15 Y 4.8898 7.1932 115.4149 56.6294 39.1530 175.9432 16 S 4.5875 7.6036 114.2551 54.7226 63.1077 171.8544 17 P 4.4484 0.0000 0.0000 62.4314 31.0287 176.3694 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 M 8.30 4.17 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 2 W 7.24 4.57 0.00 3.12 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.49 4.69 0.00 2.70 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.57 4.44 0.00 3.07 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 5 D 8.23 4.65 0.00 2.65 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.10 4.96 0.00 2.69 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.27 4.24 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.57 0.00 9 P 0.00 4.29 0.00 2.03 2.05 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 10 P 0.00 4.13 0.00 2.08 2.23 0.00 3.61 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 2.05 2.03 0.00 11 A 8.48 4.75 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.83 4.66 0.00 2.85 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.25 4.51 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 14 D 6.29 4.42 0.00 2.28 2.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.19 4.89 0.00 2.95 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.60 4.59 0.00 3.78 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 17 P 0.00 4.45 0.00 2.10 1.99 0.00 3.80 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 * Residues marked with a * may have inaccurate shift predictions.