NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4235 8.2893 120.3516 55.3706 33.3859 174.3997 2 E 4.7312 8.6038 123.6972 54.4591 32.3380 173.7286 3 Q 4.6725 8.5424 119.7547 55.0103 31.7892 176.0826 4 R 5.0769 8.2988 120.9954 55.2201 33.2259 174.0738 5 I 5.0332 8.7974 125.9501 59.5173 42.2437 175.1195 6 T 3.9142 8.3151 113.7110 61.0185 69.8624 175.3997 7 L 3.8817 8.2376 125.5108 58.1508 42.0644 179.3717 8 K 3.8986 7.9746 118.1790 60.5774 32.4055 178.6267 9 D 4.3565 8.1463 120.5983 56.4632 40.6288 178.1815 10 Y 4.0876 8.2414 120.2434 60.3501 38.8653 177.3037 11 A 4.2270 8.9181 122.2406 55.3560 18.2229 179.4946 12 M 4.0944 7.9338 116.7079 58.2421 32.1330 178.5860 13 R 3.7430 7.4725 117.8146 58.1723 30.2659 177.4583 14 F 4.7579 7.7053 114.5311 55.8304 40.6171 176.6918 15 G 4.1586 8.2647 105.7928 45.8682 0.0000 174.8325 16 Q 4.1287 8.5172 118.9091 59.0588 28.7744 179.0256 17 T 3.9391 7.8705 117.8514 66.4273 68.6198 176.4575 18 K 3.9951 8.0412 121.1564 59.5596 32.1709 178.5482 19 T 4.0801 7.8651 116.0457 67.0510 68.4278 176.2644 20 A 4.0371 7.9328 121.8954 54.9055 18.2888 179.5410 21 K 3.8548 7.9804 117.7441 59.9420 32.1124 178.8304 22 D 4.3821 8.4765 118.0378 56.3876 40.7017 177.8046 23 L 4.6626 7.3375 116.7434 53.0385 42.3260 176.2842 24 G 3.9887 8.2052 106.7636 46.7089 0.0000 173.5855 25 V 4.3108 7.8588 112.6749 59.2479 35.5411 174.4459 26 Y 4.9427 7.0385 116.7591 56.2309 40.3685 177.4015 27 Q 3.6502 8.0524 119.9423 58.4545 29.1178 179.9647 28 S 4.1035 8.1934 114.6665 61.6226 62.8469 176.0133 29 A 4.0796 8.5424 124.6176 55.3642 18.0335 179.1759 30 I 3.6404 7.9700 117.3171 65.0562 37.2126 178.0316 31 N 3.9135 8.4893 116.9115 56.2829 38.4172 177.5664 32 K 3.9156 8.5550 121.1667 59.4418 31.9919 178.4449 33 A 4.0155 8.5455 121.3339 55.5733 18.1320 179.7836 34 I 3.6871 8.7048 119.0460 64.9403 37.0404 178.3704 35 H 3.9229 8.2819 115.4353 58.3189 28.5727 176.6565 36 A 4.4534 7.9025 120.1177 50.9591 19.0811 176.9929 37 G 3.8969 8.1617 105.5261 46.4144 0.0000 174.7061 38 R 4.0704 7.5267 116.8894 55.9603 31.2160 178.0423 39 K 4.3811 8.6825 122.3230 55.1458 32.3796 174.5859 40 I 5.1113 7.7925 124.6125 59.1794 40.9897 174.2377 41 F 5.0009 9.4914 124.6771 55.5974 42.6876 173.9740 42 L 4.9253 9.0710 123.1448 53.4874 43.6616 175.4464 43 T 4.7993 8.7113 121.8788 61.9349 70.7546 173.6437 44 I 4.6384 8.6771 127.3760 59.3914 39.5660 175.7143 45 N 4.8224 9.2279 125.1605 52.5527 39.2760 176.2040 46 A 3.9843 8.5614 122.9127 55.4829 18.5109 178.3648 47 D 4.6046 8.1144 112.7132 53.5097 39.3273 177.3912 48 G 3.9527 8.2797 107.2974 45.8546 0.0000 174.4947 49 S 4.4012 8.0972 115.1833 58.2024 64.2861 173.4458 50 V 5.0356 8.2990 121.7907 61.5615 34.0377 173.9398 51 Y 5.0697 8.1536 122.9530 55.8175 41.5622 173.3253 52 A 5.2718 8.6680 121.3644 50.5974 22.6451 175.2314 53 E 4.7852 9.3414 118.0062 54.9589 34.5884 174.0908 54 E 4.9477 8.8320 124.2548 55.3552 31.0264 175.3152 55 V 4.6600 9.3550 127.1580 60.9268 33.8084 174.8213 56 K 4.7868 8.6370 126.0047 53.9782 35.5876 174.1357 57 P 4.5782 0.0000 0.0000 62.8711 32.1101 175.5708 58 F 4.7242 8.3036 121.0377 56.1713 42.3332 172.9014 59 P 3.5900 0.0000 0.0000 61.7080 33.1004 174.5602 60 S 4.3766 8.1830 116.8300 58.1262 63.7260 174.8049 *61 N 4.5022 8.6376 121.5138 52.5090 38.0428 170.6326 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 M 8.29 4.42 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 2 E 8.60 4.73 0.00 2.04 1.91 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 2.21 2.49 0.00 3 Q 8.54 4.67 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 4 R 8.30 5.08 0.00 1.75 1.77 0.00 3.10 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 5 I 8.80 5.03 2.06 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.53 1.06 0.00 0.00 6 T 8.32 3.91 4.01 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 0.00 0.00 0.00 0.80 0.00 0.00 7 L 8.24 3.88 0.00 1.70 1.61 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.97 3.90 0.00 2.00 2.02 0.00 1.54 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.52 7.81 9 D 8.15 4.36 0.00 2.74 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.24 4.09 0.00 3.25 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.92 4.23 1.48 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 0.00 0.00 12 M 7.93 4.09 0.00 1.94 2.06 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.52 0.00 13 R 7.47 3.74 0.00 1.37 1.37 0.00 2.66 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 14 F 7.71 4.76 0.00 3.01 2.93 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 15 G 8.26 4.16 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 0.00 0.00 0.00 16 Q 8.52 4.13 0.00 2.39 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.87 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 17 T 7.87 3.94 4.28 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 1.24 0.00 0.00 18 K 8.04 4.00 0.00 1.83 1.82 0.00 1.50 0.00 0.00 1.08 0.00 0.00 2.49 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.55 1.44 7.81 19 T 7.87 4.08 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 20 A 7.93 4.04 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.98 3.85 0.00 1.95 2.01 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.49 7.81 22 D 8.48 4.38 0.00 2.93 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 23 L 7.34 4.66 0.00 1.70 1.63 0.85 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.21 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 25 V 7.86 4.31 1.84 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 0.75 0.00 0.00 0.93 0.00 0.00 26 Y 7.04 4.94 0.00 3.08 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 27 Q 8.05 3.65 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.88 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 28 S 8.19 4.10 0.00 3.98 4.06 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 0.00 0.00 0.00 0.00 29 A 8.54 4.08 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.97 3.64 2.14 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.25 0.97 0.00 0.00 31 N 8.49 3.91 0.00 2.76 2.90 0.00 0.00 6.81 6.93 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 32 K 8.55 3.92 0.00 1.94 1.97 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.62 7.81 33 A 8.55 4.02 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.70 3.69 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.87 0.90 0.00 0.00 35 H 8.28 3.92 0.00 3.25 3.44 0.00 5.84 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.90 4.45 1.35 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 0.00 0.00 0.00 37 G 8.16 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.53 4.07 0.00 1.90 1.88 0.00 3.17 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.63 0.00 39 K 8.68 4.38 0.00 1.83 1.95 0.00 1.62 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.56 1.51 7.81 40 I 7.79 5.11 1.77 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 1.36 0.87 0.88 0.00 0.00 41 F 9.49 5.00 0.00 2.96 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 42 L 9.07 4.93 0.00 1.45 1.22 0.73 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.71 4.80 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 0.99 0.00 0.00 44 I 8.68 4.64 1.91 0.00 0.00 1.05 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 1.34 1.00 0.00 0.00 45 N 9.23 4.82 0.00 3.10 3.02 0.00 0.00 6.45 6.73 0.00 0.00 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 A 8.56 3.98 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.11 4.60 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 48 G 8.28 3.95 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 0.00 49 S 8.10 4.40 0.00 4.02 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 50 V 8.30 5.04 2.03 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 0.64 0.00 0.00 0.97 0.00 0.00 51 Y 8.15 5.07 0.00 2.99 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 52 A 8.67 5.27 1.18 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 53 E 9.34 4.79 0.00 1.94 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 0.00 2.36 2.47 0.00 54 E 8.83 4.95 0.00 2.02 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 2.30 2.51 0.00 55 V 9.36 4.66 2.44 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 0.86 0.00 0.00 0.95 0.00 0.00 56 K 8.64 4.79 0.00 1.90 1.77 0.00 1.68 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.45 7.81 57 P 0.00 4.58 0.00 2.38 2.13 0.00 3.79 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 2.01 1.98 0.00 58 F 8.30 4.72 0.00 3.01 2.89 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 0.00 0.00 0.00 0.00 59 P 0.00 3.59 0.00 1.85 1.30 0.00 3.68 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.73 0.00 60 S 8.18 4.38 0.00 3.84 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *61 N 8.64 4.50 0.00 2.49 2.63 0.00 0.00 6.76 7.56 0.00 0.00 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.