NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 855 S 4.4706 8.1933 116.7970 58.0512 64.4896 174.3850 856 Q 3.8287 8.8238 120.7067 59.0879 28.7183 177.7390 857 L 4.2323 7.6757 119.6464 57.5828 42.4048 179.1357 858 S 4.2206 8.0075 113.7190 61.5031 62.9184 176.4576 859 S 4.1825 8.2732 118.8107 61.4720 62.4905 176.5265 860 E 3.9957 8.1650 121.3687 59.3583 28.9657 179.4999 861 I 3.6975 7.6101 118.3382 64.2723 37.4031 177.3065 862 E 4.1185 8.2989 119.3190 59.6409 29.5740 178.2301 863 N 4.5507 8.5805 117.1460 56.4296 38.9491 177.4133 864 L 4.5171 7.8764 118.4317 55.4613 41.4133 179.1221 *866 S 4.4453 8.0659 117.0193 58.7192 64.6729 175.2482 867 Q 3.9637 7.6695 117.4376 56.5468 28.6551 176.7369 868 G 4.0095 8.1968 106.0189 45.2854 0.0000 172.9978 869 Y 4.4303 7.6813 118.2365 57.1910 38.8732 175.6348 870 S 4.3918 8.5738 118.6724 58.1388 65.4666 174.6156 871 Y 4.0201 8.7339 124.0818 61.2088 38.4562 178.5533 872 Q 4.0200 8.2473 119.7438 59.3792 29.2807 177.7306 873 D 4.3570 8.2316 119.9114 57.3660 40.7433 178.9394 874 I 3.5948 7.7270 120.3428 64.2771 37.0077 178.4147 875 Q 3.8065 7.7942 118.7800 58.8291 28.5568 178.8755 876 K 3.8166 8.0739 119.1938 59.6839 32.1677 179.2005 877 A 3.9474 8.0008 120.6680 55.0189 18.2495 179.7302 878 L 3.8684 8.0541 117.6731 57.7711 41.7227 179.7041 879 V 3.5145 7.9888 118.4918 66.2412 31.2541 178.0851 880 I 3.6622 7.5817 117.6638 64.2255 37.2922 177.6242 881 A 4.1781 8.1872 119.2446 51.6398 18.5089 177.1437 882 Q 3.1438 8.5374 115.3635 57.1164 26.9110 173.8903 883 N 4.1086 8.6665 109.7847 54.1551 36.7520 174.9083 884 N 4.5606 7.8195 117.8929 52.7598 38.0992 174.7955 885 I 3.7865 8.2908 127.8412 64.3869 37.6822 178.6892 886 E 3.8811 8.1960 116.2929 57.4360 29.3690 177.7224 *888 A 4.2069 8.0868 121.4532 51.9447 20.5414 179.8365 889 K 3.8457 8.2689 115.5913 59.5900 32.0020 179.3302 890 N 4.3324 8.1203 116.6833 56.2762 38.5969 177.3895 891 I 3.8435 7.7137 120.5957 64.4661 37.2754 178.2803 892 L 3.7747 7.9969 119.8708 57.7789 41.1508 179.4264 893 R 4.0713 7.8457 118.8736 58.8309 30.0392 177.7724 894 E 4.1308 8.0093 116.3614 57.5652 29.7832 177.3351 895 F 4.6835 7.9558 113.9412 57.9428 41.9798 175.4893 896 A 4.3710 8.0594 122.1340 51.1338 19.0795 176.9773 897 A 4.1872 8.5968 124.1018 52.1121 19.2385 177.7865 898 A 4.4440 8.2892 123.1527 51.1553 19.2863 175.9896 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 855 S 8.19 4.47 0.00 3.91 3.87 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 0.00 0.00 0.00 856 Q 8.82 3.83 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.03 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 857 L 7.68 4.23 0.00 1.70 1.71 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 858 S 8.01 4.22 0.00 4.08 4.15 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 0.00 859 S 8.27 4.18 0.00 4.16 3.97 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 0.00 0.00 0.00 860 E 8.16 4.00 0.00 2.15 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 2.54 2.49 0.00 861 I 7.61 3.70 2.03 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.44 1.02 0.00 0.00 862 E 8.30 4.12 0.00 2.10 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 0.00 2.36 2.37 0.00 863 N 8.58 4.55 0.00 2.88 2.91 0.00 0.00 7.29 6.29 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 0.00 864 L 7.88 4.52 0.00 1.95 1.83 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 *866 S 8.07 4.45 0.00 4.05 3.97 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 0.00 0.00 0.00 867 Q 7.67 3.96 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.06 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 868 G 8.20 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 0.00 869 Y 7.68 4.43 0.00 3.30 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 0.00 870 S 8.57 4.39 0.00 4.14 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 0.00 871 Y 8.73 4.02 0.00 3.15 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 872 Q 8.25 4.02 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.67 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 873 D 8.23 4.36 0.00 3.02 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 0.00 874 I 7.73 3.59 1.77 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.73 0.76 0.00 0.00 875 Q 7.79 3.81 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 1.93 2.44 0.00 876 K 8.07 3.82 0.00 1.99 1.82 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 877 A 8.00 3.95 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 0.00 878 L 8.05 3.87 0.00 1.76 1.67 0.83 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 879 V 7.99 3.51 2.20 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 1.01 0.00 0.00 0.98 0.00 0.00 880 I 7.58 3.66 1.81 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 1.40 0.71 0.85 0.00 0.00 881 A 8.19 4.18 1.34 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 0.00 882 Q 8.54 3.14 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.56 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 883 N 8.67 4.11 0.00 2.81 2.90 0.00 0.00 6.79 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 884 N 7.82 4.56 0.00 2.72 2.83 0.00 0.00 7.08 8.10 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 0.00 885 I 8.29 3.79 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 1.27 0.53 0.89 0.00 0.00 886 E 8.20 3.88 0.00 1.99 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 0.00 2.37 2.31 0.00 *888 A 8.09 4.21 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 0.00 889 K 8.27 3.85 0.00 1.94 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.60 7.81 890 N 8.12 4.33 0.00 2.77 2.89 0.00 0.00 7.01 7.35 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 0.00 891 I 7.71 3.84 1.98 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 1.65 1.11 0.89 0.00 0.00 892 L 8.00 3.77 0.00 1.28 0.32 0.59 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 893 R 7.85 4.07 0.00 1.96 1.98 0.00 3.10 0.00 0.00 3.10 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 894 E 8.01 4.13 0.00 2.00 1.38 0.00 0.00 0.00 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 2.41 0.00 895 F 7.96 4.68 0.00 3.20 3.01 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 0.00 896 A 8.06 4.37 1.41 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 0.00 0.00 897 A 8.60 4.19 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 0.00 898 A 8.29 4.44 0.79 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.