NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 K 4.2754 8.2729 122.1404 55.1260 34.2926 177.8479 8 T 3.8852 7.8811 108.3995 61.6147 68.5427 173.0350 9 V 3.9937 8.2475 121.6794 64.8712 33.1418 183.4425 10 K 4.1640 8.0533 123.2872 56.4400 31.2959 181.0045 11 R 4.1291 7.3252 120.0043 61.1447 29.0602 183.3642 12 A 4.2077 8.2709 121.4517 56.2262 18.5953 180.3867 13 S 4.1674 8.1423 118.5256 64.3649 62.5158 179.5809 14 K 4.4279 8.3864 127.2306 58.3719 31.1914 179.6164 15 A 4.8999 8.2844 122.4771 53.0045 17.3628 178.1256 16 L 4.7483 8.0781 119.3372 55.6524 43.0550 181.8078 17 I 4.2993 7.7735 115.6421 61.6370 37.2638 182.7729 18 E 4.1724 8.0867 116.4744 58.8833 29.2224 182.3907 19 R 4.4792 7.1929 114.9609 57.0677 32.9074 181.2845 *20 Y 4.0974 7.2688 121.0261 59.0120 37.6007 179.0200 *21 Y 3.8824 8.3853 120.7082 57.0964 36.5916 169.9017 22 P 5.4530 0.0000 0.0000 61.8610 33.4613 172.2756 23 K 4.2779 8.1838 123.6882 56.0955 32.6948 180.4644 24 L 3.7409 8.2554 115.7708 58.2945 38.4695 172.0947 25 T 4.7767 8.6558 112.2018 59.4664 72.1713 177.2847 26 L 5.8212 8.2588 135.0000 55.8378 42.6398 175.8337 27 D 4.7005 7.2973 120.6190 54.4396 40.5734 182.2070 *28 F 4.1746 8.8440 116.2201 60.6198 38.0952 171.9860 29 Q 5.7311 7.8703 130.4645 57.5937 32.0788 181.4729 30 T 4.2940 8.1243 113.9244 64.0396 68.7994 177.2758 31 N 5.1821 7.7253 118.4478 53.2309 38.6312 181.3791 32 K 4.4563 8.0179 124.2678 57.1929 33.0007 180.5790 33 R 4.5769 7.4504 116.5213 56.4307 30.6464 180.9416 34 L 4.0544 8.4450 121.9363 57.2583 41.7194 180.0748 35 C 4.9768 7.2761 115.8338 57.1956 28.4558 181.7582 36 D 4.9189 7.4366 123.1896 53.5202 41.7993 177.7920 37 E 4.2988 8.2250 119.5163 56.7066 31.3003 179.0812 38 I 5.0066 8.2528 129.5546 61.9144 37.7037 177.2103 39 A 3.5584 8.0053 130.6779 53.0239 18.0643 177.5441 40 T 3.8624 8.2979 118.6216 62.7631 68.8831 171.9962 41 I 4.6170 7.7364 122.4191 58.4463 36.8824 177.4963 42 Q 4.8479 7.5197 125.2053 55.6519 32.6533 176.0140 43 S 4.5383 8.1498 113.8618 60.3812 67.4613 171.4179 44 K 4.0222 9.3028 123.6957 58.0240 31.3129 176.0830 45 R 4.7625 8.6393 118.3920 56.1873 30.3749 179.2661 46 L 4.8103 7.4492 119.2779 53.3535 44.3707 180.7526 47 R 4.0565 8.3448 122.3751 62.7318 28.8226 183.8695 48 N 4.5620 8.3411 119.4583 58.9020 37.1740 182.9448 49 K 3.8763 8.4948 127.6063 60.1509 31.3236 182.2588 50 I 4.2361 7.4662 117.8159 64.0555 36.3935 181.2022 51 A 4.3257 8.1373 123.3545 54.9937 18.2050 179.9317 52 G 3.6455 9.2513 107.3742 48.8196 0.0000 175.6732 *53 Y 4.1595 7.3913 126.4880 63.1213 36.8132 180.9155 54 T 4.0847 9.8546 118.1134 67.3187 68.1707 178.8632 55 T 4.0984 8.2188 118.4361 67.6808 68.8105 178.1803 *56 H 3.7937 8.7380 119.1981 61.0701 28.3039 178.9054 57 L 4.4174 7.8540 128.5409 59.6345 41.3255 181.3934 58 M 4.6966 8.6453 120.8998 59.0426 31.8067 183.7254 59 K 4.3443 10.7404 125.4903 57.3860 31.2542 185.0000 60 R 3.3799 6.7657 115.0952 59.1159 32.1076 179.7090 61 I 4.4392 8.9874 122.3034 62.2991 37.3935 176.4759 62 Q 4.2508 7.9210 121.5488 56.5769 25.6095 181.4812 63 K 3.6514 8.3561 128.2580 55.2936 32.0140 173.7865 64 G 3.9816 8.8037 102.5921 48.1339 0.0000 171.0868 65 P 4.0690 0.0000 0.0000 63.9608 29.3128 175.1299 66 V 3.9881 8.9868 114.6333 65.4801 29.8428 177.7352 67 R 3.7249 7.5615 118.9734 56.0075 28.9186 178.1333 68 G 3.2691 8.0132 111.5870 44.6159 0.0000 174.3471 69 I 3.4087 8.2618 124.8226 59.6616 34.7810 176.9493 70 S 4.2760 7.7796 116.1528 60.0138 62.8869 181.4358 *71 F 3.6748 8.6026 120.0996 59.0811 36.3353 175.5269 72 K 3.7950 9.5183 116.6806 58.4579 28.9494 171.2552 73 L 4.0842 8.1157 124.2596 55.4918 40.7565 176.6003 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 7 K 8.27 4.28 0.00 1.70 1.83 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 8 T 7.88 3.89 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 9 V 8.25 3.99 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 0.65 0.00 0.00 0.93 0.00 0.00 10 K 8.05 4.16 0.00 1.67 1.84 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.01 7.81 11 R 7.33 4.13 0.00 1.81 1.80 0.00 3.24 0.00 0.00 3.34 8.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.27 0.00 12 A 8.27 4.21 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 13 S 8.14 4.17 0.00 3.72 3.81 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 14 K 8.39 4.43 0.00 1.74 1.84 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 15 A 8.28 4.90 1.29 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 0.00 0.00 16 L 8.08 4.75 0.00 1.55 1.60 0.92 0.94 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 17 I 7.77 4.30 1.87 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 1.27 1.20 0.91 0.00 0.00 18 E 8.09 4.17 0.00 1.93 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 2.26 2.12 0.00 19 R 7.19 4.48 0.00 1.79 1.65 0.00 3.28 0.00 0.00 3.26 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.15 0.00 *20 Y 7.27 4.10 0.00 2.34 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 *21 Y 8.39 3.88 0.00 2.49 2.34 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.45 0.00 2.08 1.91 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.36 0.00 23 K 8.18 4.28 0.00 1.77 1.67 0.00 1.93 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.36 1.00 7.81 24 L 8.26 3.74 0.00 1.83 1.61 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.66 4.78 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 26 L 8.26 5.82 0.00 1.75 1.63 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.30 4.70 0.00 2.60 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 *28 F 8.84 4.17 0.00 2.29 2.25 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 29 Q 7.87 5.73 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.83 0.00 0.00 0.00 0.00 0.00 2.05 1.92 0.00 30 T 8.12 4.29 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 31 N 7.73 5.18 0.00 2.72 2.62 0.00 0.00 6.76 7.32 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 32 K 8.02 4.46 0.00 1.76 1.74 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.29 0.98 7.81 33 R 7.45 4.58 0.00 1.67 1.83 0.00 3.22 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.14 0.00 34 L 8.45 4.05 0.00 1.66 1.60 0.92 0.77 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 35 C 7.28 4.98 0.00 2.52 2.73 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 36 D 7.44 4.92 0.00 2.65 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.22 4.30 0.00 1.98 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.87 0.00 38 I 8.25 5.01 1.87 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 1.35 0.88 0.91 0.00 0.00 39 A 8.01 3.56 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 40 T 8.30 3.86 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 41 I 7.74 4.62 1.87 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 1.27 1.24 0.91 0.00 0.00 42 Q 7.52 4.85 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.73 0.00 0.00 0.00 0.00 0.00 2.16 1.88 0.00 43 S 8.15 4.54 0.00 3.56 3.48 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 44 K 9.30 4.02 0.00 1.77 1.52 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.36 1.01 7.81 45 R 8.64 4.76 0.00 1.79 1.75 0.00 3.18 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.15 0.00 46 L 7.45 4.81 0.00 1.49 1.59 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.34 4.06 0.00 1.80 2.00 0.00 3.23 0.00 0.00 3.37 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.30 0.00 48 N 8.34 4.56 0.00 2.72 2.87 0.00 0.00 7.00 7.51 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 49 K 8.49 3.88 0.00 1.74 1.88 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.35 7.81 50 I 7.47 4.24 1.87 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 1.57 0.61 0.91 0.00 0.00 51 A 8.14 4.33 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 52 G 9.25 3.65 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 0.00 0.00 0.00 *53 Y 7.39 4.16 0.00 2.23 2.36 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 0.00 54 T 9.85 4.08 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 55 T 8.22 4.10 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 *56 H 8.74 3.79 0.00 2.93 2.92 0.00 7.18 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.85 4.42 0.00 1.64 1.71 0.92 1.29 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 58 M 8.65 4.70 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.41 0.00 59 K 10.74 4.34 0.00 1.76 1.60 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.32 7.81 60 R 6.77 3.38 0.00 1.95 1.57 0.00 3.23 0.00 0.00 3.26 8.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 61 I 8.99 4.44 1.87 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 1.50 1.10 0.91 0.00 0.00 62 Q 7.92 4.25 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 5.77 0.00 0.00 0.00 0.00 0.00 2.21 2.12 0.00 63 K 8.36 3.65 0.00 1.87 1.58 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.32 1.24 7.81 64 G 8.80 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 0.00 0.00 0.00 65 P 0.00 4.07 0.00 2.28 1.12 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.57 0.00 66 V 8.99 3.99 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 0.86 0.00 0.00 0.93 0.00 0.00 67 R 7.56 3.72 0.00 1.84 1.74 0.00 3.27 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.26 0.00 68 G 8.01 3.27 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 0.00 69 I 8.26 3.41 1.87 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 1.27 0.59 0.91 0.00 0.00 70 S 7.78 4.28 0.00 3.62 3.69 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 *71 F 8.60 3.67 0.00 2.46 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 0.00 0.00 0.00 0.00 72 K 9.52 3.80 0.00 1.86 1.73 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.28 0.98 7.81 73 L 8.12 4.08 0.00 1.77 1.49 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.