NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9317 8.3549 109.7370 45.1849 0.0000 174.4734 3 K 3.9814 8.3805 118.3083 54.6246 33.9969 171.2588 4 V 4.5069 8.6278 121.9378 61.4137 35.5842 173.5189 5 Y 5.0358 8.8752 124.2680 56.1307 40.9379 174.6985 6 K 4.4922 8.1906 122.6624 54.5132 35.1782 174.7791 7 K 5.0333 8.4729 125.2446 54.6793 34.3992 175.7515 8 V 4.4690 8.5995 123.4329 61.0540 35.1213 173.6698 9 E 4.9817 8.8776 128.3147 54.9909 30.4726 174.7607 10 L 4.8579 8.9027 126.9687 52.8540 45.7766 175.9585 11 V 4.6097 8.2928 120.3500 61.2050 33.4513 174.9735 12 G 4.5433 8.9982 116.5846 45.0542 0.0000 171.7997 13 T 5.3446 8.1969 113.3976 60.1372 72.0671 173.0554 14 S 4.6806 8.8474 115.7436 57.8858 65.9278 175.1955 15 E 4.7405 8.9293 123.7297 56.9271 30.1568 177.6721 16 E 4.1804 8.3411 118.6852 57.6290 30.2243 176.3978 17 G 3.4057 7.1627 104.5973 44.0370 0.0000 173.7176 18 L 3.7779 7.3260 118.1774 57.8321 41.5090 179.4880 19 E 3.9064 8.0278 117.7818 59.4472 29.4426 179.2097 20 A 3.9601 7.8774 120.0115 54.8312 18.5074 179.4763 21 A 3.9259 7.7255 118.9916 55.3298 18.4974 179.8659 22 I 3.4912 7.6258 118.3274 64.7173 37.0966 178.7532 23 Q 3.8908 8.1450 118.5587 58.6326 28.5823 178.6839 24 A 3.9123 8.0751 121.6371 55.0522 18.4283 179.4183 25 A 3.8835 7.8514 118.6405 55.5339 18.5277 179.8097 26 L 3.8584 7.7976 117.1170 57.6617 41.3813 179.6284 27 A 3.9809 8.0728 120.6466 54.9171 18.4248 179.4092 28 R 3.9177 7.9215 116.7800 59.4073 30.2123 178.4510 29 A 3.8810 8.0415 120.6971 55.2714 16.7777 179.6263 30 R 4.0163 7.9875 116.9467 59.2974 29.8395 178.8878 31 K 4.2712 7.6598 117.8779 58.7608 32.0086 177.8001 32 T 4.3925 7.2131 112.3602 63.5279 70.9498 174.2127 33 L 4.4748 8.0219 120.0407 52.7709 43.6140 175.9397 34 R 4.5077 7.9296 120.0086 55.4778 33.0549 174.9178 35 H 4.1745 8.4382 113.2970 56.8280 26.1739 175.2322 36 L 4.5178 8.1163 118.7509 55.3883 42.1830 175.5999 37 D 5.2114 9.2371 122.3018 55.1772 43.0358 176.2113 38 W 5.5784 7.9263 113.3927 54.9280 32.1369 172.9794 39 F 5.4522 8.5017 114.1246 55.3478 41.1800 173.9011 40 E 4.6885 9.4154 118.9649 54.7330 33.4236 174.9393 41 V 4.2385 8.7048 125.4554 62.9839 31.6923 175.5604 42 K 4.4940 9.2707 128.6998 58.5943 33.1079 176.7649 43 E 4.7987 7.8660 115.2034 55.3582 33.0578 173.9730 44 I 4.9915 8.3341 120.9189 59.9696 39.8926 174.9923 45 R 4.7439 9.4752 126.4322 55.3773 34.7037 174.0481 46 G 4.3872 7.7827 106.3396 47.3612 0.0000 171.9497 47 T 4.8113 7.8280 109.5928 59.8488 71.9645 173.3654 48 I 4.7281 8.2593 122.5390 59.8020 39.8724 175.4472 49 G 4.3539 8.8405 116.4215 43.9057 0.0000 172.7722 50 E 3.8812 8.9110 115.8492 58.5855 29.8211 177.2683 51 A 4.6357 8.0350 120.7794 51.7976 20.5434 176.4753 52 G 4.0096 7.4425 108.0422 45.1328 0.0000 176.6238 53 V 3.7900 8.2291 124.3000 63.0411 32.0669 174.4553 54 K 4.3354 8.8725 127.9222 57.5859 34.2089 175.4984 55 E 4.6140 7.5489 120.2132 54.6338 33.0088 173.6532 56 Y 4.6167 9.3110 125.6283 57.8968 39.7792 174.9293 57 Q 4.8242 9.2296 121.8322 54.3944 32.5926 174.5751 58 V 4.6114 8.6630 126.2491 61.1524 33.0554 175.0328 59 V 4.3555 8.4840 129.5884 62.6308 32.7868 174.6534 60 L 5.1980 9.0257 129.0401 53.6119 45.9841 174.2362 61 E 5.0394 9.6024 125.7925 54.7273 32.0636 174.8853 62 V 4.5404 8.8756 124.9664 60.9864 34.1729 174.2253 63 G 3.2546 8.1131 116.0409 43.9923 0.0000 172.3464 64 F 5.6309 8.3786 118.9188 54.8851 41.9021 173.7815 65 R 4.0569 8.8498 122.0637 56.1106 30.4832 176.0477 66 L 4.3633 8.2177 126.9343 54.6158 42.5214 177.1404 67 E 4.1488 8.8710 122.7321 55.2370 30.8817 173.2890 68 E 4.0998 8.8163 119.1712 55.9862 30.6406 176.9587 *69 T 4.1630 8.1846 119.1377 61.0650 69.2274 170.3503 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 G 8.35 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.38 3.98 0.00 1.82 1.41 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.50 7.81 4 V 8.63 4.51 2.01 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 1.01 0.00 0.00 0.91 0.00 0.00 5 Y 8.88 5.04 0.00 2.99 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.19 4.49 0.00 1.45 0.74 0.00 1.58 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.17 1.27 7.81 7 K 8.47 5.03 0.00 1.65 1.66 0.00 2.05 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.13 1.35 7.81 8 V 8.60 4.47 2.26 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 1.05 0.00 0.00 1.10 0.00 0.00 9 E 8.88 4.98 0.00 2.03 1.86 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 2.23 2.44 0.00 10 L 8.90 4.86 0.00 1.56 1.49 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.29 4.61 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 0.81 0.00 0.00 0.94 0.00 0.00 12 G 9.00 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.20 5.34 4.36 0.00 0.00 0.00 0.00 0.00 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 14 S 8.85 4.68 0.00 3.91 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 15 E 8.93 4.74 0.00 2.03 2.01 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 2.41 2.30 0.00 16 E 8.34 4.18 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 17 G 7.16 3.41 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 0.00 18 L 7.33 3.78 0.00 1.54 1.63 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.03 3.91 0.00 1.99 1.96 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 2.38 2.43 0.00 20 A 7.88 3.96 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 21 A 7.73 3.93 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.63 3.49 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.66 0.38 0.00 0.00 23 Q 8.14 3.89 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 24 A 8.08 3.91 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.85 3.88 1.31 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 0.00 0.00 0.00 26 L 7.80 3.86 0.00 1.60 1.63 0.56 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.07 3.98 1.31 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 0.00 0.00 0.00 28 R 7.92 3.92 0.00 1.93 2.04 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 8.04 3.88 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.99 4.02 0.00 1.91 2.12 0.00 3.08 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 31 K 7.66 4.27 0.00 1.87 1.82 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.64 7.81 32 T 7.21 4.39 4.16 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 1.10 0.00 0.00 33 L 8.02 4.47 0.00 1.26 0.79 0.36 0.50 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 34 R 7.93 4.51 0.00 1.68 1.48 0.00 3.29 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 35 H 8.44 4.17 0.00 3.65 3.49 0.00 5.62 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.12 4.52 0.00 1.67 1.66 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.24 5.21 0.00 3.12 3.08 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 38 W 7.93 5.58 0.00 3.27 3.20 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 0.00 0.00 0.00 39 F 8.50 5.45 0.00 3.02 2.93 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 0.00 0.00 0.00 40 E 9.42 4.69 0.00 1.96 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 2.44 2.51 0.00 41 V 8.70 4.24 2.18 0.00 0.00 0.00 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 1.13 0.00 0.00 42 K 9.27 4.49 0.00 1.79 1.87 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.56 7.81 43 E 7.87 4.80 0.00 2.02 2.02 0.00 0.00 0.00 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 2.36 0.00 44 I 8.33 4.99 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.73 1.00 0.00 0.00 45 R 9.48 4.74 0.00 1.69 1.82 0.00 3.41 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 46 G 7.78 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 0.00 0.00 0.00 0.00 47 T 7.83 4.81 4.20 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 0.00 0.00 1.18 0.00 0.00 48 I 8.26 4.73 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.63 0.95 0.00 0.00 49 G 8.84 4.35 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 0.00 50 E 8.91 3.88 0.00 2.08 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 0.00 2.26 2.30 0.00 51 A 8.04 4.64 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 52 G 7.44 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 53 V 8.23 3.79 1.82 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 -0.26 0.00 0.00 0.74 0.00 0.00 54 K 8.87 4.34 0.00 1.88 1.78 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.32 7.81 55 E 7.55 4.61 0.00 2.13 1.67 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 2.19 2.29 0.00 56 Y 9.31 4.62 0.00 3.09 2.85 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 57 Q 9.23 4.82 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 58 V 8.66 4.61 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 0.94 0.00 0.00 0.96 0.00 0.00 59 V 8.48 4.36 2.11 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 0.88 0.00 0.00 0.95 0.00 0.00 60 L 9.03 5.20 0.00 1.90 1.52 1.03 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.60 5.04 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 2.25 2.25 0.00 62 V 8.88 4.54 2.07 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 0.95 0.00 0.00 0.90 0.00 0.00 63 G 8.11 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.38 5.63 0.00 3.36 3.03 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 65 R 8.85 4.06 0.00 1.92 1.88 0.00 3.05 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.80 0.00 66 L 8.22 4.36 0.00 1.60 1.55 0.85 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.87 4.15 0.00 1.99 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 2.34 2.41 0.00 68 E 8.82 4.10 0.00 2.01 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 0.00 2.08 2.06 0.00 *69 T 8.18 4.16 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 * Residues marked with a * may have inaccurate shift predictions.