NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3420 8.2644 123.5905 51.8702 18.8907 176.0731 5 H 4.2777 8.7195 122.1833 56.1145 30.5177 173.6477 6 F 4.8139 8.5570 127.5817 56.4001 43.3775 172.6949 7 F 4.1667 7.2639 127.9467 56.0236 41.7697 174.0042 8 E 3.8880 7.4303 129.1702 54.6863 28.3890 175.8353 9 G 3.8003 8.3098 116.1617 48.2459 0.0000 172.9344 10 T 3.8302 7.8665 116.5202 64.0574 68.7407 173.4869 11 E 4.5567 8.5585 125.4622 54.9000 31.4849 175.2373 12 K 4.5220 8.2910 119.8656 54.6488 33.7951 175.9356 13 L 4.6863 8.4079 124.5927 52.9032 44.4618 174.9913 14 L 4.7257 8.5226 127.1227 53.0164 44.4020 174.8462 15 E 4.6083 8.7119 125.5841 54.2766 32.3004 174.6228 16 V 4.3366 8.2033 124.6514 60.7316 34.4597 174.0770 17 W 4.5388 8.7519 126.5004 54.9943 30.6995 175.6057 18 F 4.9192 8.6509 122.0061 56.4003 40.5985 174.5899 19 S 4.6698 8.3152 114.9815 57.8470 65.1853 173.7042 20 R 4.6096 8.2671 121.0144 54.2299 31.7617 175.2132 21 Q 4.0291 8.8278 126.7404 59.2819 29.3666 175.2841 22 Q 4.5092 8.4684 117.9219 56.1047 27.6348 173.4636 23 P 4.4972 0.0000 0.0000 62.3772 30.1516 176.5168 *27 Q 4.1155 8.0375 119.9803 55.2198 30.9416 175.6943 28 G 4.0338 8.0976 101.8126 44.8080 0.0000 173.2864 29 S 4.1024 8.3874 112.8178 59.1639 63.2718 175.4495 30 G 3.8746 8.6834 107.3473 45.6920 0.0000 172.5534 31 D 4.5815 8.0560 119.4401 52.2970 44.0824 176.1414 32 L 4.0526 8.7646 127.2268 57.9117 41.8330 179.3599 33 R 4.3239 8.2571 116.2601 58.4360 30.0983 178.0059 34 T 4.0172 7.8397 114.8027 66.0277 68.6421 175.3981 35 I 3.4663 7.3609 122.3925 60.8756 37.3564 174.9314 36 P 4.5013 0.0000 0.0000 61.9875 33.2887 177.4671 37 R 4.1861 8.5572 119.5607 59.6990 30.1061 178.8308 38 S 4.1387 8.0794 113.7176 61.6269 62.8805 176.2999 39 E 3.9162 7.9185 121.5486 58.7251 29.1796 179.1005 40 W 4.5044 7.7118 119.2492 59.8298 28.8454 178.2410 41 D 4.4199 8.2327 118.1240 57.4592 40.4280 178.7314 42 I 3.8778 7.6677 119.7631 64.2815 37.3108 178.1898 43 L 4.0000 8.0470 121.1850 58.2835 41.9587 179.0436 44 L 4.2040 8.3736 118.7323 57.2578 41.4308 179.4913 45 K 4.0151 7.8520 119.1767 59.5597 31.7513 178.8404 46 D 4.4734 7.6375 116.7708 56.5068 40.8226 178.1025 47 V 3.8658 7.5208 117.3905 62.6501 32.0721 175.1994 48 Q 3.6618 8.5219 115.7708 56.6575 25.7963 172.0601 49 C 5.0588 7.7882 110.3924 57.6374 33.4465 172.6063 50 S 4.7170 8.9252 112.6878 57.0429 66.5506 173.2701 51 I 4.6951 8.3200 121.8144 61.2611 37.2111 176.0547 52 I 4.5694 8.6496 118.6915 60.6562 39.1527 175.2886 53 S 4.6753 7.7080 116.0732 57.5193 65.6779 173.2298 54 V 4.6470 8.1535 124.4827 61.5739 34.7674 174.4744 55 T 4.5960 8.6761 123.2498 61.9284 72.6000 172.9272 56 K 4.9764 8.7168 125.3594 54.7423 35.1216 175.3246 57 T 4.7190 8.3753 112.4857 59.4432 72.1613 173.6756 58 D 4.5232 8.8701 121.0171 57.3873 40.7484 178.5071 59 K 4.3177 7.9205 115.9815 57.7034 33.1302 176.4713 60 Q 4.6089 7.7748 115.2049 54.8296 31.4545 172.6376 61 E 5.0936 8.6579 118.1873 54.5352 32.0799 175.1553 62 A 4.8577 8.8321 126.3792 50.2917 21.9171 174.7838 63 Y 5.0492 8.5850 118.0340 56.1414 41.7310 174.9961 64 V 4.3593 8.6409 123.0665 61.4046 33.5873 174.8347 65 L 5.4967 8.4151 126.7677 53.4395 44.9920 175.1957 66 S 4.6558 8.6738 113.2275 57.4836 66.8192 174.7213 67 E 4.2219 8.6769 119.2020 56.7958 29.4285 176.7345 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 4 A 8.26 4.34 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 5 H 8.72 4.28 0.00 3.25 3.29 0.00 5.69 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 6 F 8.56 4.81 0.00 2.93 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 7 F 7.26 4.17 0.00 2.78 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 8 E 7.43 3.89 0.00 1.89 1.52 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 2.22 2.26 0.00 9 G 8.31 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 10 T 7.87 3.83 4.39 0.00 0.00 0.00 0.00 0.00 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 11 E 8.56 4.56 0.00 1.93 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 2.27 2.59 0.00 12 K 8.29 4.52 0.00 1.72 1.72 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.38 7.81 13 L 8.41 4.69 0.00 1.53 1.51 0.92 0.92 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 14 L 8.52 4.73 0.00 1.58 1.49 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.71 4.61 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 2.35 2.23 0.00 16 V 8.20 4.34 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 -0.04 0.00 0.00 0.86 0.00 0.00 17 W 8.75 4.54 0.00 3.19 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 18 F 8.65 4.92 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.32 4.67 0.00 4.01 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 20 R 8.27 4.61 0.00 1.80 1.87 0.00 3.26 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 21 Q 8.83 4.03 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 5.39 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 22 Q 8.47 4.51 0.00 2.10 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.51 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 23 P 0.00 4.50 0.00 2.22 2.12 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 *27 Q 8.04 4.12 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.69 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 28 G 8.10 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 S 8.39 4.10 0.00 3.98 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 30 G 8.68 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 0.00 0.00 0.00 31 D 8.06 4.58 0.00 2.66 2.48 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 32 L 8.76 4.05 0.00 1.81 1.85 1.07 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.26 4.32 0.00 1.98 2.06 0.00 3.31 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 34 T 7.84 4.02 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 35 I 7.36 3.47 1.65 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.34 -0.37 0.00 0.00 36 P 0.00 4.50 0.00 2.06 1.92 0.00 3.33 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 37 R 8.56 4.19 0.00 2.09 2.01 0.00 3.44 0.00 0.00 3.65 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.96 0.00 38 S 8.08 4.14 0.00 4.07 4.11 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 0.00 0.00 0.00 0.00 39 E 7.92 3.92 0.00 1.69 1.66 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 0.00 2.24 2.10 0.00 40 W 7.71 4.50 0.00 3.37 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 41 D 8.23 4.42 0.00 2.87 2.77 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 0.00 0.00 0.00 42 I 7.67 3.88 1.98 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 1.40 0.93 0.90 0.00 0.00 43 L 8.05 4.00 0.00 1.85 2.08 1.15 0.62 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 44 L 8.37 4.20 0.00 1.76 1.90 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.85 4.02 0.00 1.93 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.77 7.81 46 D 7.64 4.47 0.00 2.88 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 3.87 2.24 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 0.85 0.00 0.00 0.95 0.00 0.00 48 Q 8.52 3.66 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.42 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 49 C 7.79 5.06 0.00 3.12 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 50 S 8.93 4.72 0.00 3.89 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.32 4.70 1.96 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.52 1.15 0.00 0.00 52 I 8.65 4.57 1.88 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 0.68 0.92 0.00 0.00 53 S 7.71 4.68 0.00 3.88 3.67 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 0.00 0.00 0.00 54 V 8.15 4.65 1.94 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 0.28 0.00 0.00 0.96 0.00 0.00 55 T 8.68 4.60 4.14 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 1.15 0.00 0.00 56 K 8.72 4.98 0.00 1.55 1.63 0.00 1.65 0.00 0.00 1.93 0.00 0.00 2.71 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.18 1.26 7.81 57 T 8.38 4.72 4.22 0.00 0.00 0.00 0.00 0.00 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 58 D 8.87 4.52 0.00 2.69 2.80 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 0.00 0.00 0.00 59 K 7.92 4.32 0.00 1.74 1.86 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.42 7.81 60 Q 7.77 4.61 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 61 E 8.66 5.09 0.00 1.89 1.73 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 2.16 2.28 0.00 62 A 8.83 4.86 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 63 Y 8.59 5.05 0.00 2.63 2.77 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 0.00 0.00 0.00 64 V 8.64 4.36 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 1.04 0.00 0.00 0.92 0.00 0.00 65 L 8.42 5.50 0.00 1.55 1.64 0.88 0.81 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 66 S 8.67 4.66 0.00 3.85 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 67 E 8.68 4.22 0.00 2.09 1.98 0.00 0.00 0.00 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 2.46 0.00 * Residues marked with a * may have inaccurate shift predictions.