NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.8884 8.3249 122.8237 58.2053 40.7397 175.1842 2 V 3.7178 6.9590 120.3218 59.1984 32.2765 177.1471 3 N 4.2229 8.3211 118.9748 56.5958 37.3268 175.1356 4 Q 3.9355 8.0078 121.3177 58.9297 29.0963 177.5538 5 H 4.1567 8.0804 118.7296 59.2318 29.7188 177.0464 6 L 3.9290 7.8743 120.8231 57.8052 41.3736 178.9970 7 C 4.2562 8.4011 118.9065 62.4672 31.5594 175.5638 8 G 3.8168 8.1656 107.3475 48.0426 0.0000 175.1139 9 S 3.9193 7.6002 115.6822 61.5974 62.3330 176.2050 10 H 4.2071 7.7735 117.2421 58.6520 28.3768 177.8409 11 L 3.9517 8.1245 121.0442 57.9648 41.5727 180.0590 12 V 3.3471 7.7049 112.4741 63.8925 31.3687 178.5146 13 E 3.9491 7.7589 116.2235 59.2990 29.3995 179.1489 14 A 3.9574 7.9245 121.8334 54.8115 18.3921 179.6598 15 L 3.6184 7.7770 117.6626 57.7090 40.9585 179.1021 16 Y 4.1812 7.5546 119.2854 60.6215 38.5415 178.1635 17 L 3.8507 7.5326 118.1057 57.7412 41.8853 179.2592 18 V 3.6784 7.5947 116.7968 66.4213 31.4348 177.5823 19 C 4.3043 8.4418 116.1382 59.8945 28.4584 175.3103 20 G 3.7723 8.2087 108.8196 45.9887 0.0000 176.6438 21 E 4.0137 8.9337 120.7577 58.9977 29.4702 178.5115 22 R 3.8686 7.5968 118.0038 57.3276 30.2113 177.7416 23 G 3.9176 9.4307 105.3632 45.2625 0.0000 171.2911 24 F 4.9133 7.5783 112.4140 56.0983 40.2448 172.8238 25 F 4.9896 7.8967 115.0980 54.9992 40.0761 174.1367 26 Y 4.5020 8.7574 123.1112 56.2599 40.4804 175.1235 27 T 4.3908 7.7667 124.6231 60.8851 70.1634 173.0395 28 P 4.1963 0.0000 0.0000 64.4800 31.1664 178.1398 29 K 4.0256 7.1522 121.9484 57.3742 32.5834 182.7838 *30 T 4.2236 7.5802 115.7322 60.8225 69.0835 175.9776 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 F 8.32 4.89 0.00 2.97 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 2 V 6.96 3.72 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.40 0.00 0.00 3 N 8.32 4.22 0.00 3.10 3.42 0.00 0.00 5.75 7.79 0.00 0.00 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 Q 8.01 3.94 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 5 H 8.08 4.16 0.00 3.25 3.39 0.00 5.92 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.87 3.93 0.00 1.87 1.73 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.40 4.26 0.00 3.09 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 8 G 8.17 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.60 3.92 0.00 3.66 3.93 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 10 H 7.77 4.21 0.00 3.35 3.34 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.12 3.95 0.00 1.89 1.74 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.70 3.35 1.87 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 0.27 0.00 0.00 0.81 0.00 0.00 13 E 7.76 3.95 0.00 2.21 2.13 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 2.43 2.30 0.00 14 A 7.92 3.96 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.78 3.62 0.00 0.70 0.44 0.65 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.55 4.18 0.00 3.30 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.53 3.85 0.00 1.78 1.69 0.94 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.59 3.68 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 0.78 0.00 0.00 0.94 0.00 0.00 19 C 8.44 4.30 0.00 3.17 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 20 G 8.21 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 0.00 0.00 0.00 21 E 8.93 4.01 0.00 2.08 2.09 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 2.28 2.29 0.00 22 R 7.60 3.87 0.00 1.89 2.09 0.00 3.22 0.00 0.00 3.39 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 23 G 9.43 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 24 F 7.58 4.91 0.00 2.96 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.90 4.99 0.00 3.31 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 26 Y 8.76 4.50 0.00 3.14 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 27 T 7.77 4.39 4.22 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 1.24 0.00 0.00 28 P 0.00 4.20 0.00 2.20 2.26 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 29 K 7.15 4.03 0.00 1.85 1.69 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.34 1.24 7.81 *30 T 7.58 4.22 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.