NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7410 8.3549 109.7321 45.3924 0.0000 173.9645 *3 S 3.8368 7.5848 115.4391 57.3977 64.1094 174.1307 4 F 4.9054 7.8706 119.9874 57.2242 40.9823 175.0492 5 C 4.8293 9.0601 115.7239 59.0166 41.5379 174.9080 6 K 4.1489 7.3715 116.3526 55.3929 32.8553 176.0932 7 A 4.3982 6.7948 121.8285 52.1083 21.6750 175.0471 8 D 4.7717 7.7497 118.8136 52.3751 41.8609 177.1009 9 E 3.8756 8.7262 119.6849 56.6176 30.3096 175.5863 10 K 4.3053 7.2261 123.6654 57.1255 31.7390 172.7890 *12 C 4.8826 8.4257 119.7035 56.4840 42.8807 173.7108 13 E 4.0254 8.6352 115.0486 57.2976 30.8985 175.8547 14 Y 4.5196 7.5448 117.5352 56.1615 39.1373 176.2032 15 H 4.0911 9.0701 122.1128 58.6653 29.2018 176.3761 16 A 4.1217 8.3659 121.4980 55.4293 18.4432 178.0457 17 D 4.6312 7.7299 115.0346 53.1854 40.4642 175.8041 18 C 5.0457 7.4590 115.1724 56.2664 46.7183 173.7533 19 C 4.4832 9.2071 125.5433 60.0533 41.2085 174.5279 20 N 5.0009 7.4865 121.1538 51.9975 35.8995 178.4592 21 C 4.7986 9.1526 119.2576 54.9088 45.9264 172.3144 22 C 5.2636 8.5431 128.0326 55.3422 39.8978 172.5052 23 L 4.1190 8.1198 125.0913 54.3756 43.6140 178.6572 24 S 3.6464 8.1316 114.2286 60.6559 58.7733 173.1989 25 G 4.2858 7.9167 101.0305 46.9902 0.0000 172.4699 26 I 4.6316 8.5921 119.0141 59.8260 42.4462 174.3405 27 C 4.8350 9.0339 123.8267 54.9966 40.7001 172.5434 28 A 4.4453 8.3287 131.9095 51.1542 21.6506 178.0767 *30 S 4.5681 8.5361 104.4908 60.9400 62.8601 174.4764 31 T 4.1212 7.3265 123.9082 60.8629 67.2802 173.1356 32 N 3.3020 6.4917 118.9908 51.1660 40.3663 174.1490 33 W 5.0646 7.0869 113.3373 57.5987 30.3822 176.2949 34 I 4.1515 7.9332 119.9078 61.6022 37.6464 176.4606 35 L 4.1848 7.6129 121.7013 53.5497 42.6158 174.6075 36 P 4.5190 0.0000 0.0000 62.6581 33.7099 176.8587 37 G 3.6085 8.7514 110.4725 45.9227 0.0000 172.8600 38 C 4.2895 9.0747 117.2462 55.8344 42.1156 174.3210 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 G 8.35 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.58 3.84 0.00 3.83 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 7.87 4.91 0.00 3.11 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 5 C 9.06 4.83 0.00 2.97 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 7.37 4.15 0.00 1.73 1.76 0.00 1.82 0.00 0.00 2.01 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.43 7.81 7 A 6.79 4.40 1.20 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 0.00 0.00 8 D 7.75 4.77 0.00 2.53 2.20 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 9 E 8.73 3.88 0.00 2.09 2.10 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 2.19 2.26 0.00 10 K 7.23 4.31 0.00 1.73 1.54 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.50 7.81 *12 C 8.43 4.88 0.00 3.11 3.26 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 13 E 8.64 4.03 0.00 1.51 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 14 Y 7.54 4.52 0.00 3.07 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.07 4.09 0.00 3.13 3.40 0.00 5.92 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.37 4.12 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.73 4.63 0.00 2.63 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 18 C 7.46 5.05 0.00 2.90 2.86 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.21 4.48 0.00 3.10 3.20 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 20 N 7.49 5.00 0.00 2.88 2.03 0.00 0.00 5.60 7.49 0.00 0.00 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 C 9.15 4.80 0.00 2.89 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.54 5.26 0.00 2.89 2.75 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 23 L 8.12 4.12 0.00 1.73 1.54 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.13 3.65 0.00 3.87 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.92 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 0.00 0.00 0.00 0.00 26 I 8.59 4.63 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.71 0.86 0.00 0.00 27 C 9.03 4.84 0.00 2.94 3.04 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 0.00 0.00 0.00 28 A 8.33 4.45 0.95 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 0.00 0.00 *30 S 8.54 4.57 0.00 3.85 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 31 T 7.33 4.12 4.08 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 1.19 0.00 0.00 32 N 6.49 3.30 0.00 2.46 2.34 0.00 0.00 6.35 8.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 W 7.09 5.06 0.00 3.37 3.29 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 0.00 34 I 7.93 4.15 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.84 0.96 0.00 0.00 35 L 7.61 4.18 0.00 1.51 1.43 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.52 0.00 2.17 2.01 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 37 G 8.75 3.61 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 0.00 0.00 0.00 38 C 9.07 4.29 0.00 2.94 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.