NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2042 8.2649 123.5742 52.0366 19.4057 176.0296 2 N 4.7314 8.3175 121.1465 52.0439 40.7844 172.0763 3 S 4.3771 7.5353 124.6643 57.9435 69.6667 178.5072 4 F 4.2026 8.9658 122.6906 60.3088 37.3878 175.1590 5 L 3.9864 5.9880 121.4064 53.9836 39.5640 175.7983 *8 V 4.5794 7.7365 114.3931 60.5118 31.6946 176.0396 9 K 3.7792 8.5937 126.7611 57.7307 32.1667 176.7581 10 Q 5.0743 6.8771 124.8838 55.7367 32.6216 172.4119 11 G 4.0767 8.6402 114.3980 43.8679 0.0000 172.0832 12 N 4.8476 8.2955 124.0108 51.5811 41.2134 173.3798 13 L 2.9278 7.5664 117.6541 57.2437 42.0471 178.2955 *15 R 4.1534 7.6130 115.9838 56.5076 31.9084 176.8228 *17 C 4.5478 7.8424 114.3138 56.9538 41.3921 173.9875 18 L 4.2586 8.0589 118.3785 56.0554 42.1062 176.6129 *21 A 3.9947 7.9366 119.8053 52.1361 20.1755 177.2421 22 C 5.0682 7.2655 108.7296 58.0303 43.9974 171.7916 23 S 4.7045 8.6291 117.7582 59.9741 66.1360 177.0180 24 L 4.1752 7.7505 118.0365 54.1243 43.1946 174.6853 *27 A 4.7300 7.5572 122.4787 51.7003 20.4005 178.0698 28 R 4.3409 7.5212 113.9928 54.6451 29.7763 176.5817 *30 V 4.3317 7.7092 117.7734 63.1810 34.7655 174.8228 31 F 4.8363 7.3363 111.4076 56.8577 37.2294 178.0922 *33 D 4.2218 8.7353 116.2911 53.2519 38.2655 174.4406 34 A 4.0885 7.8927 127.5501 53.8870 19.0732 179.1180 *36 Q 4.3883 7.9077 115.0219 55.8790 30.7509 176.5785 37 T 3.6799 7.0628 106.3865 65.1130 68.6346 174.4468 38 D 4.7392 7.9352 120.3761 53.9644 41.2138 177.4562 *40 F 4.0996 8.0467 119.3225 57.3199 40.7801 175.6089 41 W 5.0818 7.5620 118.4654 57.0399 30.5977 176.2961 42 S 3.5901 9.9362 106.8197 60.2593 60.1324 171.1841 43 K 4.3108 8.6472 122.6032 57.3063 31.6671 176.3339 44 Y 3.8567 8.9551 121.8344 59.2267 37.8188 177.8090 45 K 4.0870 8.0179 116.9183 58.0753 32.1465 175.4683 46 D 4.5665 7.2886 115.5444 54.8941 43.0812 176.0731 47 G 3.8396 8.5912 104.2889 45.3564 0.0000 174.3970 48 D 4.6824 8.2605 118.2889 52.6353 37.3934 176.6104 49 Q 3.6048 7.7776 119.0430 56.7952 28.6800 173.6588 50 C 4.1340 8.1290 116.5803 57.1860 44.3053 173.1410 51 E 4.1437 7.8802 120.4582 57.9082 29.4587 176.8480 52 G 3.8283 8.7716 113.4692 44.4899 0.0000 172.0681 53 H 3.9353 7.7199 117.8744 56.3721 27.8529 172.4749 54 P 4.3507 0.0000 0.0000 65.6751 31.9814 178.6523 55 C 4.5982 7.7177 113.5545 56.6943 42.3092 172.2401 56 L 4.4294 8.2999 119.7863 54.8293 45.7710 175.1180 57 N 4.4518 9.6078 111.9828 56.2267 35.4506 173.9126 58 Q 3.4582 8.0436 109.8660 56.5344 27.2837 174.7582 59 G 3.7298 7.8440 105.6283 45.5369 0.0000 175.2371 60 H 4.6507 8.2332 120.2237 56.1054 31.2890 173.4507 61 C 4.8695 8.5660 118.1643 56.7824 47.4239 174.4623 62 K 4.5789 8.8882 126.2824 53.9683 34.7658 177.1026 *64 G 3.7151 8.2609 110.3982 48.0365 0.0000 172.9188 65 I 2.8219 8.3971 111.7595 63.2082 39.2434 173.6926 66 G 3.9494 9.7161 108.9623 46.7550 0.0000 173.6790 67 D 4.8838 8.8318 118.8510 52.0085 39.4315 171.0777 68 Y 4.9580 7.2671 115.6123 56.8703 40.8934 174.1355 69 T 4.5860 8.7964 107.4802 61.6340 72.9512 172.0921 70 C 5.4851 8.1552 117.9648 56.9113 45.6656 173.3457 71 T 4.3639 8.2065 114.6547 63.9438 71.6258 173.2244 72 C 4.7408 8.5668 124.3331 55.1044 40.6391 174.0224 73 A 3.7810 6.7454 126.1591 51.2040 18.9998 175.9945 74 E 4.2849 8.3700 119.6726 59.9351 28.7711 175.3208 75 G 4.6252 8.8056 116.6859 46.4871 0.0000 171.7668 76 F 4.8626 7.9272 117.0677 55.7010 42.0194 173.9874 77 E 4.5380 8.7438 119.8063 56.3858 33.9293 176.0420 78 G 3.2416 8.4267 104.6664 44.7303 0.0000 174.5060 79 K 3.7369 8.1435 119.4879 59.4719 32.2356 178.2150 80 N 4.7196 7.8267 114.5387 53.5403 38.8883 176.7275 81 C 4.7214 7.8187 111.9946 57.0282 38.7702 173.8037 82 E 3.9724 8.1183 121.8620 59.6299 29.1528 178.0188 83 F 4.8641 6.9299 119.8610 56.4688 38.1819 173.3893 84 S 3.9603 9.0047 116.0044 57.8855 61.7284 174.1346 85 T 4.0027 8.4925 118.6860 64.8050 69.5305 174.2504 86 R 4.2034 7.6084 124.6763 56.1413 30.8823 175.3671 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 A 8.26 4.20 1.22 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 0.00 0.00 2 N 8.32 4.73 0.00 2.75 2.72 0.00 0.00 7.00 6.66 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 3 S 7.54 4.38 0.00 3.61 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.97 4.20 0.00 3.25 3.37 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 5 L 5.99 3.99 0.00 1.01 1.45 0.36 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 *8 V 7.74 4.58 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 0.78 0.00 0.00 0.97 0.00 0.00 9 K 8.59 3.78 0.00 1.77 1.93 0.00 1.92 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.50 7.81 10 Q 6.88 5.07 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.39 0.00 0.00 0.00 0.00 0.00 2.13 2.06 0.00 11 G 8.64 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 0.00 0.00 0.00 12 N 8.30 4.85 0.00 2.60 2.66 0.00 0.00 7.20 7.72 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 13 L 7.57 2.93 0.00 1.55 1.52 0.86 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 *15 R 7.61 4.15 0.00 1.80 1.99 0.00 3.22 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 *17 C 7.84 4.55 0.00 3.30 3.37 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 18 L 8.06 4.26 0.00 1.86 1.70 1.09 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 *21 A 7.94 3.99 1.24 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 0.00 0.00 0.00 22 C 7.27 5.07 0.00 3.15 3.24 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 0.00 23 S 8.63 4.70 0.00 3.88 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.75 4.18 0.00 1.16 1.41 0.91 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 *27 A 7.56 4.73 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.52 4.34 0.00 1.93 2.22 0.00 3.10 0.00 0.00 3.35 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 *30 V 7.71 4.33 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.05 0.00 0.00 31 F 7.34 4.84 0.00 3.06 1.89 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 *33 D 8.74 4.22 0.00 2.51 2.82 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 34 A 7.89 4.09 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 *36 Q 7.91 4.39 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.95 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 37 T 7.06 3.68 4.27 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 1.14 0.00 0.00 38 D 7.94 4.74 0.00 2.86 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 *40 F 8.05 4.10 0.00 2.62 2.13 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 41 W 7.56 5.08 0.00 3.57 3.15 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 0.00 0.00 0.00 42 S 9.94 3.59 0.00 4.15 4.06 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 0.00 0.00 0.00 43 K 8.65 4.31 0.00 2.00 2.37 0.00 1.60 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.31 7.81 44 Y 8.96 3.86 0.00 3.21 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 45 K 8.02 4.09 0.00 1.91 2.06 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.40 1.40 7.81 46 D 7.29 4.57 0.00 2.97 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.59 3.84 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 0.00 0.00 0.00 48 D 8.26 4.68 0.00 2.85 3.33 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 49 Q 7.78 3.60 0.00 2.28 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.97 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 50 C 8.13 4.13 0.00 2.88 3.21 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 0.00 0.00 0.00 0.00 51 E 7.88 4.14 0.00 2.11 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 52 G 8.77 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 53 H 7.72 3.94 0.00 3.26 3.38 0.00 5.96 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.35 0.00 2.32 2.10 0.00 3.88 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 1.78 1.62 0.00 55 C 7.72 4.60 0.00 2.98 2.96 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 56 L 8.30 4.43 0.00 1.76 1.56 0.95 0.78 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 57 N 9.61 4.45 0.00 3.10 3.19 0.00 0.00 6.99 7.83 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 58 Q 8.04 3.46 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.99 0.00 0.00 0.00 0.00 0.00 2.56 2.58 0.00 59 G 7.84 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 0.00 0.00 0.00 60 H 8.23 4.65 0.00 3.05 3.26 0.00 5.70 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 C 8.57 4.87 0.00 2.95 2.94 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 0.00 0.00 0.00 62 K 8.89 4.58 0.00 1.79 1.68 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.35 1.40 7.81 *64 G 8.26 3.72 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 0.00 0.00 0.00 65 I 8.40 2.82 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.04 0.63 0.00 0.00 66 G 9.72 3.95 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 0.00 0.00 0.00 67 D 8.83 4.88 0.00 2.80 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 7.27 4.96 0.00 3.01 2.91 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 69 T 8.80 4.59 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 1.14 0.00 0.00 70 C 8.16 5.49 0.00 2.81 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 71 T 8.21 4.36 4.27 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 1.19 0.00 0.00 72 C 8.57 4.74 0.00 2.96 3.10 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 73 A 6.75 3.78 0.14 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 0.00 0.00 74 E 8.37 4.28 0.00 1.98 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 2.35 2.37 0.00 75 G 8.81 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 0.00 0.00 0.00 0.00 76 F 7.93 4.86 0.00 3.17 3.05 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 77 E 8.74 4.54 0.00 2.36 2.10 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 2.33 2.33 0.00 78 G 8.43 3.24 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 0.00 0.00 0.00 0.00 79 K 8.14 3.74 0.00 1.66 1.79 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.71 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.39 7.81 80 N 7.83 4.72 0.00 2.73 2.88 0.00 0.00 6.99 7.67 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 81 C 7.82 4.72 0.00 3.37 3.39 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 82 E 8.12 3.97 0.00 1.74 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 2.49 2.43 0.00 83 F 6.93 4.86 0.00 3.05 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 84 S 9.00 3.96 0.00 3.52 3.52 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 0.00 0.00 0.00 85 T 8.49 4.00 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 1.33 0.00 0.00 86 R 7.61 4.20 0.00 1.59 1.75 0.00 3.21 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 * Residues marked with a * may have inaccurate shift predictions.