NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2801 8.1127 120.8599 56.6252 32.3504 177.3705 2 M 3.8918 7.8970 116.8482 57.5035 32.1020 176.3159 3 K 4.3151 8.1154 120.9748 58.4009 32.9223 177.8835 4 Q 3.9564 8.0451 119.5880 59.3004 29.0041 178.2656 5 L 4.0757 7.9862 119.8519 57.4577 41.4041 179.3131 6 E 3.9756 8.1027 118.3891 59.4236 29.3630 178.9687 7 D 4.3744 8.2177 118.9674 57.3098 40.8754 178.7960 8 K 3.9318 8.2112 120.3205 59.4421 32.0914 179.1931 9 V 3.6303 7.9345 119.4701 64.9512 31.3298 178.2991 10 E 3.9407 8.1911 119.2642 58.7696 29.2635 178.8681 11 E 3.9294 8.3906 119.5496 59.5107 29.7376 179.0624 12 L 4.0918 8.1305 118.9261 57.5977 41.5488 179.5563 13 L 4.0378 8.2996 119.5710 57.6556 41.5457 179.3542 14 S 4.1932 8.2342 113.1330 61.3875 62.2768 176.3624 15 K 4.0148 8.2164 120.9273 59.3576 31.7684 179.0378 16 A 3.9992 8.4065 121.3990 55.3954 18.3380 178.9247 17 Y 4.0904 8.2399 117.9800 61.4580 38.9169 178.2655 18 H 3.9754 8.3876 116.9099 58.5972 28.6572 177.8786 19 L 3.9837 8.2762 121.3425 57.5846 41.4448 178.9086 20 E 3.8681 8.2883 119.3883 59.5154 29.6469 178.7470 21 N 4.2132 7.8430 116.3535 56.1912 38.5464 177.0759 22 E 3.9377 8.0224 120.7548 58.8963 29.6067 178.9810 23 V 3.5259 8.0131 118.3811 66.0609 31.7889 177.9135 24 A 3.9620 8.0305 120.3876 55.0494 18.1178 179.9003 25 R 3.8333 7.8709 116.2465 59.5681 30.2143 179.3078 26 L 4.0277 7.9494 118.6788 57.6198 41.6557 179.8224 27 K 3.9765 8.3682 118.8287 59.3936 31.4771 179.5636 28 K 4.0019 7.9239 118.3003 59.3579 31.7288 179.4098 29 L 4.0193 7.7118 118.5128 57.8149 41.6932 179.7259 30 V 3.9150 7.8621 117.4298 64.0646 31.5833 178.3053 31 G 3.9612 7.8165 108.2686 46.9775 0.0000 174.0901 32 E 3.9258 7.5658 118.8411 56.3107 29.5043 180.8779 *33 R 4.2136 8.4516 122.3518 55.5256 30.1648 172.1620 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 R 8.11 4.28 0.00 1.90 1.99 0.00 3.20 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 2 M 7.90 3.89 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.65 0.00 3 K 8.12 4.32 0.00 1.91 1.77 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.41 7.81 4 Q 8.05 3.96 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.70 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 5 L 7.99 4.08 0.00 1.75 1.69 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.10 3.98 0.00 2.18 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 2.33 2.45 0.00 7 D 8.22 4.37 0.00 2.85 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 8 K 8.21 3.93 0.00 1.96 1.95 0.00 1.53 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.50 7.81 9 V 7.93 3.63 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 0.85 0.00 0.00 0.93 0.00 0.00 10 E 8.19 3.94 0.00 2.20 2.04 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 2.32 2.42 0.00 11 E 8.39 3.93 0.00 2.03 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 0.00 2.32 2.36 0.00 12 L 8.13 4.09 0.00 1.74 1.72 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.30 4.04 0.00 1.73 1.72 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.23 4.19 0.00 3.95 4.08 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 15 K 8.22 4.01 0.00 2.00 1.87 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.63 7.81 16 A 8.41 4.00 1.42 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 0.00 0.00 0.00 17 Y 8.24 4.09 0.00 3.07 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.39 3.98 0.00 3.26 3.31 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.28 3.98 0.00 1.82 1.71 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.29 3.87 0.00 2.02 2.15 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 2.23 2.33 0.00 21 N 7.84 4.21 0.00 2.74 2.69 0.00 0.00 6.69 7.69 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 22 E 8.02 3.94 0.00 2.08 2.06 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 2.29 2.34 0.00 23 V 8.01 3.53 2.21 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 1.03 0.00 0.00 0.96 0.00 0.00 24 A 8.03 3.96 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 25 R 7.87 3.83 0.00 2.06 1.97 0.00 3.12 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 26 L 7.95 4.03 0.00 1.81 1.71 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.37 3.98 0.00 1.93 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.63 7.81 28 K 7.92 4.00 0.00 1.93 1.85 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.62 1.61 7.81 29 L 7.71 4.02 0.00 1.82 1.72 0.91 0.99 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 30 V 7.86 3.92 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 0.83 0.00 0.00 0.93 0.00 0.00 31 G 7.82 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 0.00 0.00 0.00 32 E 7.57 3.93 0.00 2.03 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.12 0.00 *33 R 8.45 4.21 0.00 1.57 1.77 0.00 3.20 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.