NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *5 W 4.7219 8.2749 121.3297 56.3109 30.0460 174.2522 6 H 4.6935 8.5420 114.4510 54.3972 31.7052 171.8508 7 R 4.7337 8.3112 122.9691 53.4737 33.8365 173.5901 8 P 4.6308 0.0000 0.0000 62.4098 32.4668 175.2237 9 D 4.9217 8.2119 118.8301 52.0810 43.5021 176.1396 10 K 4.0995 8.7677 123.2344 56.9113 32.1009 177.0213 11 C 5.0299 8.5761 120.6942 55.1677 43.4807 174.5174 12 C 4.7609 8.6404 119.0396 56.1023 39.9067 173.6128 13 L 4.4263 8.3541 124.0487 53.3770 41.6464 176.9677 14 G 3.8698 6.7615 108.0759 45.5591 0.0000 172.3113 15 Y 5.0354 7.7508 118.5033 55.5294 40.9624 175.4555 16 Q 4.2099 8.8136 126.4576 56.5631 29.2111 176.7378 17 K 4.2721 8.7516 130.7516 58.1131 32.3890 174.5176 18 R 3.9050 7.6304 118.0504 54.9718 29.9310 177.0966 19 P 2.0000 0.0000 0.0000 60.8711 31.8109 175.4865 20 L 4.5939 6.9357 118.5374 52.1586 44.4825 175.1348 21 P 4.4015 0.0000 0.0000 62.1466 32.1141 177.5940 22 Q 4.0937 8.6598 120.8869 58.5336 28.9176 178.4237 23 V 3.7867 7.7716 117.2553 63.5284 31.6618 176.5486 24 L 4.4474 7.8770 120.0989 54.8417 42.6157 176.0693 25 L 5.0508 7.4851 117.9964 53.1737 43.7793 175.7575 26 S 4.7899 8.8529 116.2791 59.8848 64.1806 173.5535 27 S 5.0469 7.7686 112.1862 57.5934 65.7425 173.6178 28 W 5.5299 8.5868 115.4841 55.3148 31.2874 173.4605 29 Y 4.7792 10.0167 123.2424 55.1794 41.9568 172.2852 30 P 4.8301 0.0000 0.0000 62.1552 32.3974 176.0695 31 T 4.1434 8.2034 115.1519 61.1338 69.5572 174.3488 32 S 4.0859 8.8591 117.8876 59.0661 63.1161 175.5724 33 Q 4.0619 8.5466 121.2275 58.2096 28.5874 177.1275 34 L 4.2777 7.3239 115.5346 55.4420 41.8582 176.6204 35 C 4.4735 8.1470 118.2950 56.5535 40.5452 173.4421 36 S 4.1834 8.7647 119.8278 61.2532 62.5248 174.5730 37 K 4.4937 7.6814 121.0903 53.4042 33.3131 174.6264 38 P 4.5084 0.0000 0.0000 62.4230 32.4084 175.5050 39 G 4.1779 8.1897 107.4258 45.2005 0.0000 171.6154 40 V 4.8653 8.3913 112.3390 59.3087 35.6326 174.9635 41 I 4.7970 9.5763 124.4583 59.6861 39.8017 174.5052 42 F 5.4252 8.9054 125.7753 56.0465 41.2842 174.8713 43 L 5.0052 9.9779 125.1801 54.1848 43.3983 177.3947 44 T 4.6647 9.3351 115.3946 60.8530 70.5790 175.1026 45 K 4.3475 8.1675 118.9545 56.7558 32.0820 177.9045 46 R 4.2881 7.6893 117.7817 55.8906 30.8599 177.0871 47 G 4.0732 7.7215 107.2494 45.7468 0.0000 175.1530 48 R 4.3155 8.0826 121.3057 56.8492 30.5538 180.9522 49 Q 5.2971 8.6968 121.0071 53.9399 30.9618 174.9670 50 V 4.6435 8.9410 121.9602 61.3535 35.1539 174.0575 51 C 5.2695 8.8630 122.8775 56.9621 43.2243 172.2404 52 A 4.8931 8.3930 120.9214 51.0285 23.1179 175.4099 53 D 4.1332 8.2132 120.6509 52.2482 41.5163 177.1087 54 K 3.8659 8.1985 125.2326 57.9793 32.7257 177.8457 55 S 4.2373 7.6176 113.6571 58.9940 63.5527 174.4168 56 K 4.3025 7.3241 121.1069 56.0005 33.4555 176.7156 57 D 4.5639 8.5465 118.0849 56.8687 41.3327 179.1964 58 W 4.2059 8.1789 116.5699 59.4149 28.0964 178.3242 59 V 3.2244 6.6363 118.8303 65.4814 30.8573 178.0028 60 K 3.8296 7.5527 118.7050 59.0476 31.8174 179.4959 61 K 4.0553 7.8678 118.7751 59.9237 32.6988 179.1242 62 L 3.9571 8.3833 120.6330 57.6258 41.2391 179.3705 63 M 3.2488 7.9766 117.9930 58.3208 31.9427 178.6054 64 Q 4.2494 8.2197 116.9725 59.1915 29.0186 178.4385 65 Q 4.1837 8.5609 118.1550 57.5828 29.0564 176.9989 66 L 4.8123 7.3283 117.9704 52.4143 43.9587 174.6000 67 P 4.6267 0.0000 0.0000 62.4621 32.7278 175.9356 68 V 3.1503 7.9723 122.7242 61.1092 32.3888 175.7057 69 T 3.7692 9.1855 122.4007 63.4482 68.1926 172.5701 70 A 3.7830 8.6467 132.5275 52.3473 17.9319 178.3302 71 R 3.5836 7.9815 118.0565 57.2827 29.2447 174.7932 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 *5 W 8.27 4.72 0.00 2.53 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 0.00 0.00 0.00 6 H 8.54 4.69 0.00 3.17 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.31 4.73 0.00 1.78 1.82 0.00 3.20 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 8 P 0.00 4.63 0.00 2.19 2.06 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 9 D 8.21 4.92 0.00 2.65 2.61 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 0.00 0.00 0.00 10 K 8.77 4.10 0.00 1.80 1.84 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.49 7.81 11 C 8.58 5.03 0.00 2.93 2.98 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 12 C 8.64 4.76 0.00 3.09 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 4.43 0.00 1.60 1.65 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 14 G 6.76 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 15 Y 7.75 5.04 0.00 3.03 2.86 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 0.00 0.00 0.00 16 Q 8.81 4.21 0.00 2.20 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.99 0.00 0.00 0.00 0.00 0.00 2.65 2.66 0.00 17 K 8.75 4.27 0.00 1.82 1.67 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.36 1.00 7.81 18 R 7.63 3.91 0.00 1.82 1.75 0.00 3.25 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 19 P 0.00 2.00 0.00 1.44 0.92 0.00 3.20 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.22 0.00 20 L 6.94 4.59 0.00 1.60 1.50 1.11 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.40 0.00 2.14 1.92 0.00 3.53 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 22 Q 8.66 4.09 0.00 2.29 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.92 0.00 0.00 0.00 0.00 0.00 2.62 2.41 0.00 23 V 7.77 3.79 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 0.74 0.00 0.00 0.93 0.00 0.00 24 L 7.88 4.45 0.00 1.91 1.74 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.49 5.05 0.00 1.70 1.86 0.59 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.85 4.79 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 27 S 7.77 5.05 0.00 3.98 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 28 W 8.59 5.53 0.00 3.14 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 29 Y 10.02 4.78 0.00 2.71 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 30 P 0.00 4.83 0.00 2.02 2.26 0.00 2.40 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.74 0.00 31 T 8.20 4.14 4.37 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 1.28 0.00 0.00 32 S 8.86 4.09 0.00 4.01 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 33 Q 8.55 4.06 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.12 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 34 L 7.32 4.28 0.00 1.72 1.71 0.93 0.88 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 35 C 8.15 4.47 0.00 3.02 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 36 S 8.76 4.18 0.00 3.98 4.02 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 37 K 7.68 4.49 0.00 1.91 1.92 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.41 1.42 7.81 38 P 0.00 4.51 0.00 2.10 2.03 0.00 3.88 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 39 G 8.19 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.39 4.87 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 0.64 0.00 0.00 0.19 0.00 0.00 41 I 9.58 4.80 2.05 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.01 1.00 0.00 0.00 42 F 8.91 5.43 0.00 3.21 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 43 L 9.98 5.01 0.00 1.69 1.67 1.03 0.51 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 44 T 9.34 4.66 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 45 K 8.17 4.35 0.00 1.74 1.89 0.00 1.74 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.64 1.56 7.81 46 R 7.69 4.29 0.00 1.82 1.99 0.00 3.35 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 47 G 7.72 4.07 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 0.00 0.00 0.00 48 R 8.08 4.32 0.00 1.55 1.82 0.00 3.24 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.45 0.00 49 Q 8.70 5.30 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 50 V 8.94 4.64 2.31 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 1.11 0.00 0.00 1.06 0.00 0.00 51 C 8.86 5.27 0.00 3.07 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.39 4.89 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.21 4.13 0.00 1.87 2.29 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.20 3.87 0.00 1.55 1.56 0.00 1.40 0.00 0.00 1.52 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.20 1.17 7.81 55 S 7.62 4.24 0.00 3.94 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 56 K 7.32 4.30 0.00 1.71 1.51 0.00 1.60 0.00 0.00 1.77 0.00 0.00 3.31 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.60 1.55 7.81 57 D 8.55 4.56 0.00 2.79 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 58 W 8.18 4.21 0.00 3.63 3.30 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 0.00 59 V 6.64 3.22 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 -0.37 0.00 0.00 60 K 7.55 3.83 0.00 1.83 1.74 0.00 1.63 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.38 7.81 61 K 7.87 4.06 0.00 1.99 2.08 0.00 1.54 0.00 0.00 2.01 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.56 7.81 62 L 8.38 3.96 0.00 1.71 1.55 0.45 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 63 M 7.98 3.25 0.00 1.61 1.96 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.81 0.00 64 Q 8.22 4.25 0.00 2.02 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 65 Q 8.56 4.18 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.60 0.00 66 L 7.33 4.81 0.00 2.28 1.90 1.08 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.63 0.00 2.05 1.96 0.00 3.84 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.12 0.00 68 V 7.97 3.15 1.55 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 0.54 0.00 0.00 0.33 0.00 0.00 69 T 9.19 3.77 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 0.88 0.00 0.00 70 A 8.65 3.78 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.98 3.58 0.00 1.84 1.74 0.00 3.30 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 1.56 1.21 0.00 * Residues marked with a * may have inaccurate shift predictions.