NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 E 4.2567 8.4293 120.2170 55.9814 31.4565 175.7594 20 I 4.1719 7.6155 111.7585 58.9144 38.9808 173.6820 21 D 4.4879 7.1077 123.3969 52.8824 39.8184 178.1943 22 Y 4.9220 8.5315 110.8262 57.0888 41.5535 176.9622 23 K 4.2466 8.7135 118.4310 58.8632 32.8791 176.4840 24 D 4.8099 7.9181 119.2359 54.6636 42.2909 176.8752 25 I 3.8709 7.4231 117.6295 62.4297 38.3450 175.4193 26 A 4.3577 7.8522 120.3544 54.8490 18.8464 179.4756 27 T 3.9753 8.4520 114.4008 66.9052 68.9102 175.7938 28 L 4.6542 7.9369 119.1508 55.9702 42.1601 178.7714 29 K 4.0374 7.5014 119.1424 58.9603 32.1929 177.2743 30 N 4.4914 7.8426 113.5792 53.8903 37.7901 174.3461 31 Y 4.9315 7.2264 117.1071 57.7143 39.5821 175.6529 32 I 4.5106 6.6253 122.1865 59.9655 40.7690 177.4890 33 T 3.9116 7.9583 113.3591 62.6462 70.6435 171.4534 34 E 4.6634 8.8275 122.8401 56.7670 29.5192 177.6224 35 S 4.5096 7.8227 109.4910 58.1556 65.1381 174.8344 36 G 4.0528 7.9677 112.2150 47.0213 0.0000 172.7854 37 K 4.0433 7.5583 119.7964 55.4733 30.8488 175.3572 38 I 3.5898 7.9060 123.3542 60.7862 38.7331 175.1528 39 V 4.1748 8.0862 119.2441 59.3672 32.6579 174.5037 40 P 4.4552 0.0000 0.0000 62.9898 31.9825 176.0432 41 S 4.6288 8.3178 111.6043 58.1040 63.2821 175.5493 42 R 4.1446 7.7146 119.3300 59.2063 29.4118 178.3110 43 I 4.1737 8.2281 111.3203 61.7099 37.6204 177.6207 44 T 4.3789 8.7271 115.3170 66.1270 70.3355 174.8257 45 G 4.4380 7.2349 112.9670 45.7865 0.0000 174.7244 46 T 4.4430 8.5148 126.2522 61.0607 66.6485 176.5222 47 R 3.8311 8.3893 119.0804 55.9014 29.8653 177.9547 48 A 4.1344 8.3858 126.3050 53.3411 17.6378 179.5125 49 K 4.1880 7.6000 112.7235 58.5613 32.8031 177.9923 50 Y 4.7007 7.6260 118.0112 60.2265 38.5906 176.7157 51 Q 4.1317 7.8052 118.6705 57.7443 28.9890 177.6033 52 R 4.2640 7.6557 118.2446 58.8779 30.9897 177.5741 53 Q 4.5469 7.2372 114.9599 55.8674 28.4686 175.9222 54 L 4.3932 7.5684 122.0504 56.3093 44.1130 178.0139 55 A 4.0010 7.6173 119.8521 55.6244 18.2043 179.8461 56 R 3.8935 7.8375 115.5393 59.3724 30.0314 179.0904 57 A 4.1034 7.7506 119.9398 55.3085 18.3092 179.8152 58 I 3.6705 7.6888 117.8016 65.0935 37.2486 177.5582 59 K 3.6275 7.9825 117.8656 59.2168 31.4727 178.7031 60 R 4.2470 8.3727 120.9777 60.0600 29.7279 178.4757 61 A 4.2347 8.3978 121.1197 54.6289 18.5887 179.3443 62 R 3.9544 8.0840 116.0836 59.9168 30.1888 177.8370 63 Y 4.4308 7.0744 114.3071 60.9983 38.2038 176.7033 64 L 4.3508 8.0331 119.6954 55.9153 42.0627 176.3994 65 S 3.8228 8.0286 107.2777 59.8217 62.6351 171.5453 66 L 4.4198 8.1102 117.2779 54.6786 42.1355 179.1734 67 L 4.0783 9.2319 130.8652 54.7889 40.9676 174.2184 68 P 4.3359 0.0000 0.0000 63.0481 32.0330 176.1985 69 Y 4.0965 8.7519 121.5388 61.0212 38.0061 176.4605 70 T 4.9843 7.6910 110.6822 60.4999 70.5676 172.6355 71 D 5.1157 8.4733 119.6785 54.5471 41.4392 177.2955 72 R 4.5845 7.7305 117.3381 55.6835 32.8288 176.7575 73 H 4.6893 8.3878 128.4633 57.7921 30.6806 174.5794 *74 Q 4.1530 8.0037 120.4854 55.1713 28.6453 176.5742 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 19 E 8.43 4.26 0.00 1.86 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 2.14 2.21 0.00 20 I 7.62 4.17 1.82 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.64 0.92 0.00 0.00 21 D 7.11 4.49 0.00 1.76 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 0.00 0.00 0.00 22 Y 8.53 4.92 0.00 3.04 3.22 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 0.00 23 K 8.71 4.25 0.00 1.99 2.21 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.65 1.50 7.81 24 D 7.92 4.81 0.00 2.79 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 25 I 7.42 3.87 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.96 0.95 0.00 0.00 26 A 7.85 4.36 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 3.98 4.63 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 1.37 0.00 0.00 28 L 7.94 4.65 0.00 1.84 1.81 1.02 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.50 4.04 0.00 1.95 1.81 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.37 7.81 30 N 7.84 4.49 0.00 2.58 2.71 0.00 0.00 5.98 7.55 0.00 0.00 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 Y 7.23 4.93 0.00 3.24 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.63 4.51 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.48 0.99 0.00 0.00 33 T 7.96 3.91 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 1.29 0.00 0.00 34 E 8.83 4.66 0.00 2.00 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 0.00 2.29 2.23 0.00 35 S 7.82 4.51 0.00 3.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.97 4.05 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 0.00 0.00 0.00 37 K 7.56 4.04 0.00 1.79 1.83 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.44 7.81 38 I 7.91 3.59 1.83 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 1.41 0.73 0.89 0.00 0.00 39 V 8.09 4.17 2.16 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 0.88 0.00 0.00 1.17 0.00 0.00 40 P 0.00 4.46 0.00 2.09 2.01 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 41 S 8.32 4.63 0.00 4.03 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.71 4.14 0.00 1.92 1.75 0.00 3.19 0.00 0.00 3.39 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 43 I 8.23 4.17 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.41 0.92 0.00 0.00 44 T 8.73 4.38 4.30 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 1.28 0.00 0.00 45 G 7.23 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.51 4.44 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 1.25 0.00 0.00 47 R 8.39 3.83 0.00 2.22 1.99 0.00 3.47 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 48 A 8.39 4.13 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 0.00 0.00 0.00 0.00 0.00 49 K 7.60 4.19 0.00 1.89 1.94 0.00 1.36 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.08 1.23 7.81 50 Y 7.63 4.70 0.00 3.24 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 51 Q 7.81 4.13 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.61 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 52 R 7.66 4.26 0.00 1.83 1.92 0.00 3.34 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 1.56 1.63 0.00 53 Q 7.24 4.55 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.65 0.00 54 L 7.57 4.39 0.00 1.45 1.67 -0.01 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.62 4.00 1.39 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 0.00 0.00 0.00 56 R 7.84 3.89 0.00 1.86 2.02 0.00 3.28 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 57 A 7.75 4.10 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 58 I 7.69 3.67 1.90 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 1.64 0.60 0.84 0.00 0.00 59 K 7.98 3.63 0.00 2.09 1.89 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.64 7.81 60 R 8.37 4.25 0.00 2.19 2.27 0.00 3.12 0.00 0.00 3.44 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 61 A 8.40 4.23 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.08 3.95 0.00 1.38 1.70 0.00 2.21 0.00 0.00 2.87 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 63 Y 7.07 4.43 0.00 3.16 3.07 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 64 L 8.03 4.35 0.00 1.75 1.62 1.03 1.07 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 65 S 8.03 3.82 0.00 3.93 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.11 4.42 0.00 1.63 1.18 0.87 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 67 L 9.23 4.08 0.00 1.58 1.67 0.93 1.00 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 68 P 0.00 4.34 0.00 2.24 2.03 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.20 0.00 69 Y 8.75 4.10 0.00 2.93 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 70 T 7.69 4.98 4.30 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 1.37 0.00 0.00 71 D 8.47 5.12 0.00 2.85 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 72 R 7.73 4.58 0.00 1.80 1.94 0.00 3.28 0.00 0.00 3.16 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 73 H 8.39 4.69 0.00 3.07 3.31 0.00 5.95 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 *74 Q 8.00 4.15 0.00 1.86 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.42 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.