NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.4851 8.3544 107.9850 46.1843 0.0000 172.2676 2 V 4.2192 7.3868 122.2820 62.1001 35.4541 175.6786 *4 C 4.7655 9.1871 118.3706 56.1798 45.3271 172.0420 5 R 4.3261 8.6671 122.5210 55.9619 30.3716 175.3937 6 C 4.9988 8.1581 115.2542 54.6799 43.0612 173.8188 7 D 4.3433 8.4652 119.6598 57.1850 41.1305 177.2582 8 S 4.7611 7.6558 112.4234 56.5147 62.3663 173.2155 9 D 4.4565 8.0793 123.9810 57.7216 39.8612 175.8906 10 G 3.8405 8.3504 107.6237 44.3764 0.0000 172.4724 11 P 4.2974 0.0000 0.0000 65.8185 31.8296 178.2598 12 S 4.5951 7.6191 113.2258 57.3094 62.5537 173.0023 13 V 4.4854 7.4187 116.7783 60.3380 34.7476 174.3015 14 H 4.3849 8.3534 118.6037 56.3704 28.9923 174.9269 15 G 3.9911 8.7161 107.8673 46.8071 0.0000 174.5188 16 N 5.0629 8.2415 116.3532 53.6383 37.7644 174.6232 17 T 4.0337 7.6041 113.5298 61.8098 68.5557 174.1805 18 L 4.4088 8.0588 122.8529 54.9049 39.3456 177.8790 19 S 4.2841 7.8285 112.2722 59.8369 63.3461 173.7944 20 G 4.4400 7.7300 106.3934 45.5821 0.0000 173.0847 21 T 4.9395 9.2765 115.8734 61.7263 73.1738 173.4874 22 V 4.6063 8.1421 124.7479 59.9790 34.1346 174.8730 23 W 4.7965 8.7116 123.2882 54.8890 32.0019 175.9142 24 V 4.0432 8.3061 118.4193 61.8079 32.1275 176.1254 25 G 4.2313 9.3472 114.1710 44.1080 0.0000 173.7651 26 S 4.8652 7.1932 111.0478 57.1381 64.6701 176.1904 27 C 4.0960 8.4072 123.7593 56.3882 45.0561 172.2874 28 A 3.8920 6.6227 123.7888 50.2746 19.0137 178.6649 29 S 4.0284 8.4085 118.1885 60.9425 63.1007 175.5717 30 G 4.0713 7.9647 105.3710 44.4840 0.0000 171.8195 31 W 4.7531 8.1794 119.8391 55.6547 32.0016 174.2324 32 H 5.0052 8.5494 115.6732 54.3889 33.5857 173.4704 33 K 4.5148 8.8301 119.6544 57.0803 32.3134 176.2181 34 C 4.7455 9.0993 119.3780 55.0157 42.2778 172.3683 35 N 5.1517 7.4792 116.0805 52.2217 39.3842 173.9119 36 D 4.4023 8.6299 118.5339 56.3149 41.5361 175.7361 37 E 3.5085 7.4705 115.8885 54.8244 31.6042 173.5563 38 Y 4.5876 6.5013 113.4153 57.0184 41.1249 175.2320 39 N 4.2645 7.8727 115.0472 53.0494 41.8436 174.9827 40 I 3.7807 8.5058 120.4325 63.7800 37.9508 175.5838 41 A 4.5375 7.2365 118.6515 53.9596 22.0589 176.0988 42 Y 4.7047 7.5932 110.9853 58.1241 39.6962 174.2176 43 E 5.0310 8.7832 118.8467 56.2456 34.3063 174.0448 44 C 5.1568 8.6110 121.9693 56.4892 42.0386 172.3264 45 C 5.5471 9.5038 119.3616 55.7679 43.7610 172.4760 46 K 5.4479 9.1427 118.0100 55.9560 36.4564 176.8555 47 Q 3.6348 7.7893 117.8749 56.2250 29.4512 174.7496 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 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 V 7.39 4.22 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.70 0.00 0.00 *4 C 9.19 4.77 0.00 3.06 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 5 R 8.67 4.33 0.00 1.99 1.97 0.00 3.07 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 6 C 8.16 5.00 0.00 3.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.47 4.34 0.00 2.65 2.71 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 8 S 7.66 4.76 0.00 3.85 3.78 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 0.00 0.00 0.00 0.00 9 D 8.08 4.46 0.00 2.87 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 10 G 8.35 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 0.00 0.00 0.00 11 P 0.00 4.30 0.00 2.18 2.21 0.00 3.75 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 1.98 1.96 0.00 12 S 7.62 4.60 0.00 3.78 3.79 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 0.00 0.00 0.00 0.00 13 V 7.42 4.49 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.90 0.00 0.00 14 H 8.35 4.38 0.00 3.26 3.31 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 15 G 8.72 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.24 5.06 0.00 2.85 3.17 0.00 0.00 6.75 7.72 0.00 0.00 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 7.60 4.03 4.25 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 1.23 0.00 0.00 18 L 8.06 4.41 0.00 1.68 1.65 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.83 4.28 0.00 3.86 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 20 G 7.73 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.28 4.94 3.46 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 -0.15 0.00 0.00 22 V 8.14 4.61 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 0.72 0.00 0.00 1.03 0.00 0.00 23 W 8.71 4.80 0.00 3.28 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 24 V 8.31 4.04 1.88 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 -0.61 0.00 0.00 0.83 0.00 0.00 25 G 9.35 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.19 4.87 0.00 3.79 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.41 4.10 0.00 3.11 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 28 A 6.62 3.89 -1.13 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 0.00 0.00 29 S 8.41 4.03 0.00 3.79 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 30 G 7.96 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 31 W 8.18 4.75 0.00 2.93 3.24 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 0.00 32 H 8.55 5.01 0.00 3.19 3.22 0.00 5.62 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.83 4.51 0.00 1.75 2.02 0.00 1.77 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.72 1.74 7.81 34 C 9.10 4.75 0.00 3.17 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 7.48 5.15 0.00 2.79 2.91 0.00 0.00 6.04 8.26 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 36 D 8.63 4.40 0.00 2.63 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 7.47 3.51 0.00 1.73 1.71 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 2.05 2.11 0.00 38 Y 6.50 4.59 0.00 3.30 3.03 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 39 N 7.87 4.26 0.00 2.88 2.77 0.00 0.00 6.70 7.89 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 40 I 8.51 3.78 1.67 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.62 0.25 0.00 0.00 41 A 7.24 4.54 1.19 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 0.00 0.00 42 Y 7.59 4.70 0.00 3.03 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 43 E 8.78 5.03 0.00 2.23 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 44 C 8.61 5.16 0.00 3.09 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 9.50 5.55 0.00 3.38 3.51 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 46 K 9.14 5.45 0.00 1.85 2.04 0.00 1.40 0.00 0.00 1.90 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.58 7.81 47 Q 7.79 3.63 0.00 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.61 0.00 0.00 0.00 0.00 0.00 1.69 1.26 0.00 * Residues marked with a * may have inaccurate shift predictions.