NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5144 8.3349 115.5585 57.8483 63.1013 173.2621 3 S 4.0816 8.7893 123.5853 57.9991 63.4945 172.0981 4 D 5.1304 9.4984 123.2897 52.8516 44.7554 174.2118 5 Y 5.0719 8.2463 119.6267 56.6370 42.3579 175.1664 6 V 4.8866 8.8178 121.1547 60.7390 35.6686 173.2990 *8 A 4.6002 8.5689 121.2359 52.2365 19.9279 176.8226 9 T 4.5730 8.7458 113.2344 61.5039 70.0801 176.6011 10 K 3.9813 8.7749 123.6027 59.3553 32.2318 177.5678 11 D 4.6966 8.0999 116.8543 53.1876 39.3817 176.3451 12 G 3.8576 8.1077 106.2996 47.2466 0.0000 174.4250 13 R 4.5890 7.6987 120.9708 54.6225 31.5723 176.1244 *15 I 4.0508 8.0560 121.4629 61.7807 37.2407 174.4380 16 L 4.3737 8.9491 128.1865 55.5624 42.4155 175.8756 17 T 4.8163 8.4997 117.6101 60.8749 71.5456 172.2067 18 D 4.7404 8.8547 126.7866 53.8361 39.9202 177.1059 19 G 4.1145 9.0323 108.9660 44.4087 0.0000 172.1229 20 K 2.4800 8.2557 119.4132 55.6831 32.2008 174.3280 21 P 4.4966 0.0000 0.0000 62.7148 32.4553 175.3082 22 E 4.3378 8.9527 125.1841 55.0951 30.8193 174.7970 23 I 4.4638 8.2690 129.0368 60.2163 38.4064 175.6221 24 D 4.6238 8.8698 129.1874 52.7884 40.5816 176.6790 25 D 4.3814 8.6497 126.2946 56.9564 41.2079 178.0039 26 D 4.5456 7.8742 117.9341 56.0907 40.9711 176.9531 27 T 4.4428 7.7699 106.0177 60.0384 70.2435 173.7208 28 G 3.8778 8.4832 111.0163 46.8036 0.0000 173.1678 29 L 4.8833 7.6820 118.1495 52.6948 46.0299 176.2925 30 V 4.7089 8.4945 117.4137 60.3165 33.5261 175.3535 31 S 5.2051 9.0385 121.7870 57.4754 65.9895 173.1819 32 Y 4.9702 7.6296 118.9496 57.1089 40.2555 172.9090 33 H 4.6607 8.5686 115.5720 53.7708 32.2836 173.2392 34 D 4.6923 8.5328 122.2840 55.2006 41.3714 174.6436 35 Q 4.6242 7.9304 120.0741 56.8273 35.2935 175.6868 36 Q 4.1103 8.1531 119.3199 56.9792 29.6732 174.5581 37 G 3.6977 8.3040 108.1046 45.9401 0.0000 174.2853 *39 A 3.8642 7.7467 124.3757 50.8972 20.2864 176.9494 *41 Q 4.3365 7.5970 118.3392 56.0455 30.5737 176.1716 42 I 4.7750 8.4309 120.9155 58.9873 42.1867 173.9466 43 N 4.7223 8.7735 125.1455 53.1876 38.9677 175.9748 44 R 3.3259 8.6431 125.4059 59.5184 30.3877 177.8405 45 D 4.3699 8.0911 116.0089 56.6820 41.4914 176.1148 46 D 4.6165 9.1306 118.4421 54.0440 41.3112 175.5860 47 V 4.4086 7.3488 120.2853 61.2655 32.3255 175.1801 48 S 4.5707 8.9566 122.8030 59.8024 64.1151 174.6083 49 Q 4.6375 7.6647 117.0344 54.1034 32.8216 174.4612 50 I 4.5719 8.4239 123.2009 59.7618 39.5821 174.8619 51 I 4.2923 9.1576 129.2594 59.6642 39.0431 174.5072 52 E 4.2099 8.6854 128.8874 54.5212 30.5734 175.4596 53 R 4.2885 8.3917 128.3891 54.9291 31.1233 176.3927 54 L 4.3879 8.4110 124.9563 54.4227 42.6319 176.3211 55 E 4.5554 8.5455 120.7249 55.1610 31.2219 174.9205 56 H 4.9832 8.6794 120.2760 54.2627 31.3783 174.0886 57 H 4.4391 8.8573 118.9213 56.1776 28.6862 175.3138 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 2 S 8.33 4.51 0.00 3.92 4.04 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 3 S 8.79 4.08 0.00 3.91 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.50 5.13 0.00 2.68 2.49 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 5 Y 8.25 5.07 0.00 2.79 2.78 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 6 V 8.82 4.89 2.07 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 1.10 0.00 0.00 0.92 0.00 0.00 *8 A 8.57 4.60 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 9 T 8.75 4.57 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 10 K 8.77 3.98 0.00 1.75 1.92 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.48 1.38 7.81 11 D 8.10 4.70 0.00 2.76 2.74 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 12 G 8.11 3.86 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 0.00 0.00 0.00 13 R 7.70 4.59 0.00 1.87 1.80 0.00 3.17 0.00 0.00 3.18 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 *15 I 8.06 4.05 1.63 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.07 0.72 0.00 0.00 16 L 8.95 4.37 0.00 1.67 1.80 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.50 4.82 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 18 D 8.85 4.74 0.00 2.77 2.74 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 19 G 9.03 4.11 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 0.00 0.00 0.00 20 K 8.26 2.48 0.00 1.26 1.53 0.00 0.76 0.00 0.00 1.44 0.00 0.00 2.90 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.26 1.27 7.81 21 P 0.00 4.50 0.00 2.06 1.97 0.00 3.06 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.91 0.00 22 E 8.95 4.34 0.00 2.03 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 0.00 2.23 2.41 0.00 23 I 8.27 4.46 1.86 0.00 0.00 0.85 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 0.69 0.95 0.00 0.00 24 D 8.87 4.62 0.00 2.79 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 25 D 8.65 4.38 0.00 2.71 2.72 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 0.00 0.00 0.00 0.00 26 D 7.87 4.55 0.00 2.84 2.72 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 0.00 0.00 0.00 0.00 27 T 7.77 4.44 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 28 G 8.48 3.88 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 0.00 0.00 0.00 29 L 7.68 4.88 0.00 1.56 1.54 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.49 4.71 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 0.87 0.00 0.00 1.00 0.00 0.00 31 S 9.04 5.21 0.00 3.72 3.71 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 32 Y 7.63 4.97 0.00 2.94 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 33 H 8.57 4.66 0.00 3.10 3.20 0.00 5.68 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.53 4.69 0.00 2.61 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.93 4.62 0.00 2.29 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 36 Q 8.15 4.11 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 37 G 8.30 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 0.00 0.00 0.00 *39 A 7.75 3.86 1.24 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 0.00 0.00 *41 Q 7.60 4.34 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.70 0.00 0.00 0.00 0.00 0.00 2.16 2.35 0.00 42 I 8.43 4.77 2.08 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.51 1.00 0.00 0.00 43 N 8.77 4.72 0.00 2.89 2.75 0.00 0.00 6.58 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.64 3.33 0.00 1.79 1.98 0.00 3.10 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 45 D 8.09 4.37 0.00 2.68 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.13 4.62 0.00 2.72 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 47 V 7.35 4.41 2.19 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 0.78 0.00 0.00 0.96 0.00 0.00 48 S 8.96 4.57 0.00 3.98 3.96 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 49 Q 7.66 4.64 0.00 1.89 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 50 I 8.42 4.57 1.92 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.60 1.02 0.00 0.00 51 I 9.16 4.29 1.94 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.79 0.87 0.00 0.00 52 E 8.69 4.21 0.00 1.77 1.75 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 1.93 1.59 0.00 53 R 8.39 4.29 0.00 1.69 1.79 0.00 3.14 0.00 0.00 3.13 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 54 L 8.41 4.39 0.00 1.39 1.44 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.55 4.56 0.00 1.92 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 0.00 2.18 2.33 0.00 56 H 8.68 4.98 0.00 3.15 3.24 0.00 5.69 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 57 H 8.86 4.44 0.00 3.09 3.24 0.00 5.93 0.00 0.00 0.00 0.00 6.91 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.