NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3624 8.3349 116.7661 58.6992 64.0797 173.0052 3 S 3.8477 8.5282 108.6148 58.3958 60.1971 171.5392 4 D 4.6100 8.3542 122.7897 53.7851 43.7884 172.8332 5 Y 5.1491 8.6536 122.4188 56.3221 41.9941 175.2037 6 V 4.9005 8.6758 119.3423 60.9724 35.6071 172.7935 *8 A 4.5767 8.5174 119.7698 52.3760 19.9945 176.3542 9 T 4.7779 8.6705 113.2792 59.7382 71.0285 176.0000 10 K 3.8272 9.0696 124.2386 59.9527 32.2024 177.8308 11 D 4.4630 7.8896 114.9911 53.3804 39.8282 176.3975 12 G 4.0319 8.0014 107.3329 45.6857 0.0000 175.8480 13 R 4.0753 8.1311 122.4714 55.7319 31.2318 175.7516 *15 I 4.1148 8.1757 122.0168 61.8233 37.6791 174.7441 16 L 4.4789 8.4240 126.1307 54.8801 42.3090 176.9394 17 T 4.8320 8.2575 112.5438 59.9548 71.5971 174.1043 18 D 4.4944 9.2418 126.3406 55.2874 39.9767 175.1226 19 G 3.8332 8.7463 110.2703 43.6308 0.0000 170.4976 20 K 3.0065 7.9617 119.8097 54.6548 32.6077 174.7698 21 P 4.4436 0.0000 0.0000 62.6161 32.5241 175.5008 22 E 4.4210 8.8621 123.5886 54.7930 31.3692 175.1043 23 I 4.5188 8.2798 129.2618 60.1766 38.2309 175.7337 24 D 4.6578 9.1546 129.8687 52.9298 40.8480 176.7814 25 D 4.5607 8.7170 125.9937 56.2339 41.2192 177.5937 26 D 4.5779 8.1028 118.4981 55.7314 41.1466 177.0902 27 T 4.4198 7.8313 106.0211 60.0263 70.1560 173.6492 28 G 4.0311 7.9256 110.5651 46.5216 0.0000 172.7374 29 L 4.7466 7.9987 118.5730 53.1537 46.7286 175.5950 30 V 4.7775 8.8906 126.1992 61.5661 33.5781 174.3136 31 S 5.1516 9.1170 125.7651 57.1501 64.7488 173.2433 32 Y 5.0620 8.1913 121.7916 55.9880 41.8410 173.5721 33 H 4.9076 8.6955 115.1636 53.6718 32.1731 173.6304 34 D 4.8851 9.0700 123.7164 54.2724 42.0284 177.4359 35 Q 4.2693 8.9450 118.3948 57.8188 28.6800 177.2806 36 Q 4.4427 8.1194 114.8166 55.2040 30.4753 176.2016 37 G 4.1006 7.9135 106.2300 45.3202 0.0000 173.1362 38 N 4.4760 8.2117 117.6871 52.0393 39.0814 175.0510 39 A 3.9201 8.3155 126.4427 51.9636 19.2191 176.2267 *41 Q 4.4435 8.1600 116.9928 56.4383 29.9751 174.4387 42 I 4.7047 8.3713 119.8040 59.5005 42.1825 173.7224 43 N 4.6319 8.8788 125.9718 53.3191 39.2381 176.1352 44 R 3.8239 8.5741 123.5779 59.4711 30.3549 178.0745 45 D 4.4337 8.1163 115.7176 56.3098 41.4649 176.0436 46 D 4.6819 8.1546 117.7799 54.7298 41.8789 176.3998 47 V 4.1730 7.5236 119.3460 62.1918 32.4802 174.6426 48 S 4.6000 9.2675 120.1543 59.3899 63.9097 174.1519 49 Q 4.6078 7.7084 115.8223 54.1803 32.7764 174.9022 50 I 4.3725 8.4428 123.1467 59.8476 38.7019 174.8617 51 I 4.3395 9.1757 129.1993 60.0692 38.9926 174.7231 52 E 4.3064 8.5362 126.1221 54.1368 32.0991 174.6694 53 R 4.3880 8.2659 127.9893 54.7090 30.9172 176.1368 54 L 4.1351 8.4635 126.5034 54.4252 42.5835 175.7585 55 E 4.5659 8.2346 121.7283 54.9818 31.1432 175.2025 56 H 4.8019 8.4950 121.7787 54.5013 32.7819 173.0944 57 H 4.5509 8.4638 118.6682 55.6881 28.5012 173.3890 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 4.36 0.00 3.98 3.89 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 3 S 8.53 3.85 0.00 4.17 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 4 D 8.35 4.61 0.00 2.71 2.41 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 5 Y 8.65 5.15 0.00 3.09 2.83 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 6 V 8.68 4.90 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 1.06 0.00 0.00 0.93 0.00 0.00 *8 A 8.52 4.58 1.26 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 0.00 0.00 0.00 9 T 8.67 4.78 4.31 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 10 K 9.07 3.83 0.00 1.79 1.96 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.57 7.81 11 D 7.89 4.46 0.00 2.78 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 12 G 8.00 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 0.00 0.00 0.00 13 R 8.13 4.08 0.00 1.90 1.83 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 1.65 1.60 0.00 *15 I 8.18 4.11 1.67 0.00 0.00 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 1.41 1.11 0.84 0.00 0.00 16 L 8.42 4.48 0.00 1.56 1.64 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.26 4.83 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 18 D 9.24 4.49 0.00 2.83 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 19 G 8.75 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 0.00 0.00 0.00 20 K 7.96 3.01 0.00 1.01 1.44 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.10 0.70 7.81 21 P 0.00 4.44 0.00 1.89 1.92 0.00 3.29 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.00 0.00 22 E 8.86 4.42 0.00 2.07 1.93 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 2.20 2.29 0.00 23 I 8.28 4.52 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 1.22 0.68 0.97 0.00 0.00 24 D 9.15 4.66 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.72 4.56 0.00 2.71 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 26 D 8.10 4.58 0.00 2.89 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 7.83 4.42 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 7.93 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 0.00 0.00 0.00 29 L 8.00 4.75 0.00 1.82 1.45 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.89 4.78 2.27 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 0.92 0.00 0.00 0.93 0.00 0.00 31 S 9.12 5.15 0.00 3.79 3.73 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 0.00 0.00 0.00 0.00 32 Y 8.19 5.06 0.00 2.91 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 33 H 8.70 4.91 0.00 3.09 3.21 0.00 5.65 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 9.07 4.89 0.00 2.90 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 8.95 4.27 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.59 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 36 Q 8.12 4.44 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.19 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 37 G 7.91 4.10 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 0.00 0.00 0.00 38 N 8.21 4.48 0.00 2.81 2.71 0.00 0.00 6.92 7.54 0.00 0.00 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 8.32 3.92 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 *41 Q 8.16 4.44 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.62 0.00 0.00 0.00 0.00 0.00 2.16 2.35 0.00 42 I 8.37 4.70 2.07 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 1.26 1.54 1.03 0.00 0.00 43 N 8.88 4.63 0.00 2.85 2.73 0.00 0.00 6.72 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 8.57 3.82 0.00 1.80 1.93 0.00 3.10 0.00 0.00 3.09 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 45 D 8.12 4.43 0.00 2.66 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 8.15 4.68 0.00 2.90 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 47 V 7.52 4.17 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 0.69 0.00 0.00 0.94 0.00 0.00 48 S 9.27 4.60 0.00 3.78 3.89 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 49 Q 7.71 4.61 0.00 1.90 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 50 I 8.44 4.37 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.86 0.98 0.00 0.00 51 I 9.18 4.34 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 1.11 0.72 0.88 0.00 0.00 52 E 8.54 4.31 0.00 1.62 1.61 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 1.79 1.47 0.00 53 R 8.27 4.39 0.00 1.74 1.83 0.00 3.32 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 54 L 8.46 4.14 0.00 1.64 1.42 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.23 4.57 0.00 1.86 1.77 0.00 0.00 0.00 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 2.29 0.00 56 H 8.50 4.80 0.00 3.05 3.10 0.00 5.89 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 8.46 4.55 0.00 3.20 3.24 0.00 5.56 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.