NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.7380 8.4549 115.5897 55.6351 42.7118 172.5503 2 K 4.5830 8.5605 116.9957 54.5986 34.8541 173.8133 3 A 4.8002 8.6088 124.9232 49.6656 22.2162 175.4644 4 A 3.9306 8.8141 125.5882 54.0245 18.7778 177.4437 5 G 4.0744 8.6012 109.6630 44.9555 0.0000 173.6471 6 K 4.7903 7.6487 117.8522 53.2107 35.7277 173.8191 7 P 5.2312 0.0000 0.0000 63.2826 31.1532 174.4851 8 C 5.1914 8.7845 117.4761 53.6164 46.2524 173.7506 9 S 4.6050 8.4836 115.5551 56.5957 64.7018 175.0522 10 R 3.7351 8.7564 126.8676 58.5616 30.0042 177.3889 11 I 4.0340 7.8216 109.9372 62.7700 38.3827 175.8428 12 A 4.7410 8.0664 123.5148 49.5066 18.4205 173.1733 13 Y 4.8247 8.1197 117.3051 54.5147 41.3829 176.9819 14 N 4.6071 8.5052 121.2336 51.3822 37.2538 172.3651 15 C 4.6921 7.5019 112.5973 54.7332 43.6525 174.3641 16 C 4.2100 7.6829 116.7142 59.4144 40.1969 173.8217 17 T 4.6812 8.0728 114.0008 60.2998 70.3073 173.7734 18 G 3.8106 7.9694 113.6968 44.4278 0.0000 172.4796 19 S 4.5282 8.1825 115.9170 56.6213 66.2859 174.0327 20 C 4.4885 8.0985 124.5599 55.5721 39.8376 172.8651 21 R 4.6858 8.3253 123.6687 53.8828 31.7109 172.9941 22 S 4.1660 8.2328 116.1727 56.1770 62.5104 173.6164 23 G 4.1007 8.5155 112.0065 44.3601 0.0000 170.9190 24 K 4.7295 8.5700 120.8321 54.5492 35.0092 175.0431 25 C 4.4195 8.5902 123.3384 56.7541 44.5488 173.1526 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 C 8.45 4.74 0.00 2.99 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.56 4.58 0.00 1.78 1.77 0.00 1.63 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 3 A 8.61 4.80 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.81 3.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.60 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 6 K 7.65 4.79 0.00 1.98 1.71 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.22 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.40 7.81 7 P 0.00 5.23 0.00 2.08 2.10 0.00 3.32 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.84 0.00 8 C 8.78 5.19 0.00 2.99 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.48 4.60 0.00 3.89 3.80 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 10 R 8.76 3.74 0.00 1.64 1.92 0.00 3.18 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.35 0.00 11 I 7.82 4.03 1.90 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 0.75 0.92 0.00 0.00 12 A 8.07 4.74 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.12 4.82 0.00 3.07 3.08 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 0.00 0.00 0.00 14 N 8.51 4.61 0.00 2.65 2.69 0.00 0.00 6.13 7.65 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 15 C 7.50 4.69 0.00 3.16 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.68 4.21 0.00 3.34 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 4.68 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 18 G 7.97 3.81 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 0.00 0.00 0.00 19 S 8.18 4.53 0.00 3.77 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.10 4.49 0.00 2.37 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.33 4.69 0.00 1.96 1.95 0.00 2.85 0.00 0.00 3.08 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 22 S 8.23 4.17 0.00 3.83 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 23 G 8.52 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.57 4.73 0.00 1.69 1.60 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.32 7.81 25 C 8.59 4.42 0.00 3.21 2.95 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 0.00 0.00 0.00