NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.6744 8.4549 115.5830 55.4675 43.2212 171.8908 2 K 4.4955 8.1996 118.3493 54.7175 35.2947 172.0928 3 G 4.1839 8.7613 114.0846 46.7944 0.0000 173.8473 4 K 4.3241 8.8317 126.2106 57.1011 32.7502 177.8884 5 G 3.9778 8.4269 112.4489 45.4155 0.0000 173.4530 6 A 4.2581 7.4318 121.9255 50.9465 19.6803 177.1226 7 K 4.4277 8.6975 124.6858 57.2346 33.0088 174.6289 8 C 5.0724 8.9187 121.0739 54.4803 40.9689 172.4405 9 S 5.0007 8.4016 112.5298 56.6732 64.8562 174.7083 10 R 3.9427 9.2236 122.2084 59.3508 28.9387 177.1875 11 L 4.0216 7.9811 119.2259 57.3997 42.5426 178.1532 12 M 4.5358 7.8705 118.2259 53.6346 31.5337 176.9319 13 Y 4.3764 8.1358 115.2945 57.5353 38.6381 176.0980 14 D 4.6017 8.6697 123.5183 54.1834 42.2840 176.4223 15 C 4.8322 8.0497 115.9887 56.5797 41.0882 174.6523 16 C 4.6276 8.9723 121.7262 59.7763 40.1859 174.6766 17 T 4.7408 7.6555 107.9154 59.6000 72.2668 172.9664 18 G 4.5113 8.0800 118.1842 45.9030 0.0000 174.6259 19 S 4.3462 7.9569 125.0005 59.3013 66.3775 172.9359 20 C 5.5631 8.3403 115.7276 58.0077 39.0490 173.4157 21 R 4.6434 7.8196 125.9858 56.1080 32.6652 175.8166 22 S 4.0001 9.2658 118.0917 58.8595 60.7468 171.1036 23 G 4.4587 9.1298 108.3094 45.4370 0.0000 173.1261 24 K 5.0432 7.7903 117.1303 54.5337 36.5973 176.1244 25 C 5.1471 8.8769 116.2797 56.9168 41.1860 173.9761 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 4.67 0.00 3.01 3.10 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 2 K 8.20 4.50 0.00 1.69 1.66 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.33 1.45 7.81 3 G 8.76 4.18 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 0.00 0.00 0.00 4 K 8.83 4.32 0.00 1.81 1.68 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.69 1.44 7.81 5 G 8.43 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.43 4.26 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 7 K 8.70 4.43 0.00 1.78 1.75 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.73 1.45 7.81 8 C 8.92 5.07 0.00 3.14 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 5.00 0.00 3.88 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 9.22 3.94 0.00 1.95 2.38 0.00 3.06 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 11 L 7.98 4.02 0.00 1.63 1.77 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 12 M 7.87 4.54 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 13 Y 8.14 4.38 0.00 3.16 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.67 4.60 0.00 2.56 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 15 C 8.05 4.83 0.00 3.02 3.07 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 16 C 8.97 4.63 0.00 2.90 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 7.66 4.74 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 1.24 0.00 0.00 18 G 8.08 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 4.35 0.00 3.85 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 8.34 5.56 0.00 2.98 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 21 R 7.82 4.64 0.00 1.83 1.69 0.00 3.32 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 22 S 9.27 4.00 0.00 4.09 4.02 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 23 G 9.13 4.46 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 0.00 24 K 7.79 5.04 0.00 1.73 1.66 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.40 7.81 25 C 8.88 5.15 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00