NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9305 8.3549 109.7367 45.2076 0.0000 174.5103 3 K 3.9690 8.3887 118.2414 54.6531 33.9233 171.2598 4 V 4.4830 8.6084 121.9106 61.4106 35.5570 173.5270 5 Y 4.9651 8.8515 124.3343 56.1419 40.8352 174.7144 6 K 4.5078 8.1918 122.7082 54.4959 35.2700 174.7725 7 K 4.9845 8.4750 124.8918 54.5921 34.6437 175.6594 8 V 4.4480 8.6728 123.6943 61.0339 34.9395 173.7334 9 E 4.9799 8.8948 128.6985 55.2186 30.2467 174.8512 10 L 4.8624 8.9137 127.0760 52.8519 45.7724 176.0617 11 V 4.6024 8.2882 120.2830 61.1971 33.5380 174.9142 12 G 4.5074 8.9763 116.5792 45.0116 0.0000 171.7287 13 T 5.3546 8.1599 113.4677 60.1764 72.1487 173.0138 14 S 4.6690 8.7992 115.2908 57.9693 65.9305 175.3786 15 E 4.6819 9.0383 124.1730 57.5905 30.1379 177.5769 16 E 4.1923 8.2604 118.6410 57.7108 30.2778 176.3852 17 G 3.3988 7.1780 104.8655 44.1214 0.0000 173.6395 18 L 3.7508 7.2897 118.1460 57.8674 41.4865 179.3767 19 E 3.9054 8.0858 117.7519 59.5839 29.4007 179.2985 20 A 3.9322 7.8806 119.8657 54.8190 18.5602 179.4593 21 A 3.9160 7.7676 119.1634 55.3383 18.5118 179.8853 22 I 3.5089 7.6633 118.2855 64.7419 37.1494 178.8056 23 Q 3.9226 8.2269 118.6229 58.5869 28.4621 178.7612 24 A 3.9081 8.0118 121.7989 55.0022 18.4365 179.4861 25 A 3.8728 7.8130 118.7063 55.4722 18.5646 179.7992 26 L 3.8601 7.8684 117.2028 57.6748 41.3768 179.6257 27 A 3.9759 7.9307 120.3679 54.9482 18.4274 179.3941 28 R 3.9239 7.8881 116.6904 59.3621 30.1615 178.4209 29 A 3.8777 8.0306 120.6901 55.2884 17.1884 179.6389 30 R 3.9008 7.9797 116.9395 59.2892 29.8475 178.8807 31 K 4.2461 7.6733 117.8722 58.7816 32.0135 177.8250 32 T 4.4179 7.2533 113.7822 63.2333 71.0021 174.1239 33 L 4.5014 7.9498 120.1998 52.7300 43.7321 175.9041 34 R 4.5175 7.9276 119.8496 55.5303 33.0609 174.9294 35 H 4.1792 8.4873 113.4027 56.7743 26.1381 175.2202 36 L 4.4670 8.1643 118.8887 55.5285 42.0858 175.6696 37 D 5.2078 9.3169 122.7394 55.1842 42.9118 176.3373 38 W 5.5866 7.9053 113.4229 54.9587 32.1076 172.9557 39 F 5.4644 8.5412 114.2094 55.3525 41.2117 173.9287 40 E 4.6775 9.3087 118.6861 54.7835 33.4748 174.9025 41 V 4.2873 8.6851 125.4631 62.8904 31.6939 175.5458 42 K 4.4957 9.1866 128.6769 58.5901 33.0794 176.7705 43 E 4.7936 7.8507 115.1178 55.4031 32.9876 174.0532 44 I 4.9178 8.3482 121.0329 59.9601 39.7804 174.9762 45 R 4.7473 9.3773 126.3287 55.0951 34.7296 174.0940 46 G 4.3966 7.8317 106.5259 47.2764 0.0000 172.0513 47 T 4.7987 7.8252 109.7233 59.8783 71.9108 173.4229 48 I 4.7456 8.2529 122.5830 59.8004 39.8483 175.3945 49 G 4.3446 8.8465 116.3753 43.7770 0.0000 172.6394 50 E 3.8535 8.9536 115.8176 58.8270 29.6295 177.3234 51 A 4.6273 7.9689 120.2607 51.7624 20.5375 176.6028 52 G 4.0103 7.4149 108.2596 45.2299 0.0000 176.6738 53 V 3.8019 8.2207 124.3581 62.9597 31.8190 174.4738 54 K 4.3372 8.6184 128.0912 57.5810 33.7072 176.0496 55 E 4.7187 7.5442 120.3083 54.6454 33.0494 173.6808 56 Y 4.6372 9.2979 125.5909 57.8770 39.7893 174.9342 57 Q 4.8393 9.2891 121.8912 54.4203 32.6091 174.5645 58 V 4.5895 8.7209 126.3779 61.1134 32.9848 174.9972 59 V 4.3334 8.5955 129.6878 62.6371 32.7865 174.6639 60 L 5.1856 9.0457 128.9905 53.6516 46.0346 174.1564 61 E 5.0407 9.5301 125.7953 54.6932 32.0311 174.8811 62 V 4.4978 8.9326 125.0559 60.9724 34.1762 174.2247 63 G 3.1570 8.1419 115.9859 43.9830 0.0000 172.3454 64 F 5.6467 8.3911 118.8129 54.8560 41.9570 173.7480 65 R 4.0341 8.8298 121.8639 56.1145 30.4888 176.0567 66 L 4.3671 8.2594 127.1676 54.5103 42.3239 177.1513 67 E 4.1564 8.8442 122.6753 56.4391 30.3582 175.3407 68 E 3.5689 8.5583 119.8515 58.3069 28.0901 175.0139 *69 T 4.1630 8.0198 113.7893 60.6473 69.2274 176.0457 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 G 8.35 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 0.00 0.00 0.00 3 K 8.39 3.97 0.00 1.81 1.41 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.50 7.81 4 V 8.61 4.48 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.91 0.00 0.00 5 Y 8.85 4.97 0.00 3.02 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 6 K 8.19 4.51 0.00 1.45 0.74 0.00 1.59 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.19 1.28 7.81 7 K 8.47 4.98 0.00 1.64 1.65 0.00 2.08 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.12 1.35 7.81 8 V 8.67 4.45 2.26 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 1.01 0.00 0.00 1.10 0.00 0.00 9 E 8.89 4.98 0.00 2.03 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 2.24 2.47 0.00 10 L 8.91 4.86 0.00 1.56 1.48 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.29 4.60 2.08 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 0.81 0.00 0.00 0.94 0.00 0.00 12 G 8.98 4.51 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 0.00 0.00 0.00 13 T 8.16 5.35 4.26 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 1.25 0.00 0.00 14 S 8.80 4.67 0.00 3.91 3.91 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 E 9.04 4.68 0.00 2.03 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 0.00 2.41 2.34 0.00 16 E 8.26 4.19 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 17 G 7.18 3.40 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 0.00 18 L 7.29 3.75 0.00 1.54 1.63 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.09 3.91 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 20 A 7.88 3.93 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 21 A 7.77 3.92 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 22 I 7.66 3.51 1.88 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 1.43 0.80 0.40 0.00 0.00 23 Q 8.23 3.92 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 24 A 8.01 3.91 1.37 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 0.00 0.00 0.00 25 A 7.81 3.87 1.29 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 26 L 7.87 3.86 0.00 1.60 1.63 0.53 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.93 3.98 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 28 R 7.89 3.92 0.00 1.91 2.04 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 8.03 3.88 1.28 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 0.00 0.00 30 R 7.98 3.90 0.00 1.98 2.05 0.00 3.08 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 31 K 7.67 4.25 0.00 1.86 1.82 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.64 7.81 32 T 7.25 4.42 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 1.10 0.00 0.00 33 L 7.95 4.50 0.00 1.29 0.82 0.33 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.93 4.52 0.00 1.67 1.48 0.00 3.28 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 35 H 8.49 4.18 0.00 3.65 3.49 0.00 5.62 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.16 4.47 0.00 1.67 1.67 0.85 0.93 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 37 D 9.32 5.21 0.00 3.09 3.08 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 0.00 38 W 7.91 5.59 0.00 3.27 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 39 F 8.54 5.46 0.00 3.00 2.90 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 40 E 9.31 4.68 0.00 1.97 1.92 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 2.43 2.52 0.00 41 V 8.69 4.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.13 0.00 0.00 42 K 9.19 4.50 0.00 1.80 1.87 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.56 7.81 43 E 7.85 4.79 0.00 2.02 2.02 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 2.29 2.35 0.00 44 I 8.35 4.92 1.92 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 1.39 0.73 1.00 0.00 0.00 45 R 9.38 4.75 0.00 1.70 1.82 0.00 3.41 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 46 G 7.83 4.40 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 0.00 47 T 7.83 4.80 4.20 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 1.18 0.00 0.00 48 I 8.25 4.75 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.63 0.95 0.00 0.00 49 G 8.85 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.95 3.85 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 2.27 2.30 0.00 51 A 7.97 4.63 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 52 G 7.41 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 0.00 0.00 0.00 0.00 53 V 8.22 3.80 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.37 0.00 0.00 0.74 0.00 0.00 54 K 8.62 4.34 0.00 1.81 1.81 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.32 7.81 55 E 7.54 4.72 0.00 2.13 1.67 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 2.20 2.29 0.00 56 Y 9.30 4.64 0.00 3.09 2.84 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 57 Q 9.29 4.84 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 58 V 8.72 4.59 2.08 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 0.95 0.00 0.00 1.00 0.00 0.00 59 V 8.60 4.33 2.11 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 0.95 0.00 0.00 0.95 0.00 0.00 60 L 9.05 5.19 0.00 1.91 1.53 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.53 5.04 0.00 1.94 1.83 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 2.25 2.25 0.00 62 V 8.93 4.50 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 0.94 0.00 0.00 0.89 0.00 0.00 63 G 8.14 3.16 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 64 F 8.39 5.65 0.00 3.36 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 65 R 8.83 4.03 0.00 1.92 1.91 0.00 3.07 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.02 0.00 66 L 8.26 4.37 0.00 1.59 1.55 0.85 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.84 4.16 0.00 2.00 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 2.37 2.41 0.00 68 E 8.56 3.57 0.00 2.08 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 2.19 2.28 0.00 *69 T 8.02 4.16 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.