NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4771 8.3344 116.8046 58.3395 64.8932 173.0449 8 D 4.8493 7.9884 120.0519 51.5879 43.0776 173.8916 9 F 5.5531 8.8025 117.7364 55.2523 42.0365 173.5652 10 V 4.6603 9.2064 112.4049 59.6136 35.2964 174.8352 11 V 4.7381 8.6231 124.1715 61.4664 33.5781 174.4839 12 I 4.9484 9.0268 128.7713 59.4260 40.5342 174.1351 13 K 5.0448 9.2105 129.1728 54.3912 34.6067 174.8354 14 A 4.5651 8.8887 130.1782 51.9937 19.2132 177.5085 15 L 4.6671 9.2360 122.5789 54.9133 42.7191 175.6614 16 E 4.7697 7.7539 115.7422 54.8048 33.0817 174.5021 17 D 4.6269 8.7120 119.2136 54.9726 41.5811 176.0926 18 G 3.8484 8.3804 107.2342 46.7421 0.0000 174.4104 19 V 3.9542 7.8218 119.3348 62.3581 33.2007 174.1595 20 N 5.2449 9.3619 126.0613 51.9567 41.0041 173.3292 21 V 4.5416 8.7158 127.7558 61.6198 33.0244 173.9906 22 I 4.7635 8.9626 130.3384 59.6301 39.0449 175.2522 23 G 4.3334 9.5891 116.2556 45.2115 0.0000 172.4209 24 L 4.8462 8.7833 124.8933 52.9006 44.3984 177.0462 25 T 4.0898 9.0751 112.7106 64.0327 69.3840 174.7724 *32 F 4.7030 7.4021 119.5328 56.0208 38.3843 172.3817 33 H 4.7408 8.1437 124.3668 57.9340 32.1154 173.8597 34 H 4.5884 8.3051 123.1685 55.4702 32.4480 171.7208 35 S 4.8339 8.5337 120.9377 57.2502 64.4272 173.2806 36 E 4.4542 8.3031 124.7143 54.9778 32.4742 174.2227 37 K 4.7825 8.6729 126.9904 56.0232 33.5379 176.5096 38 L 4.9830 9.0640 123.4348 53.1503 45.4478 175.4226 39 D 5.1996 10.0710 123.5351 51.8407 44.0238 175.8192 40 K 3.9813 8.7572 122.3452 59.0233 32.2050 177.0652 41 G 4.0182 9.2705 115.7699 44.9785 0.0000 173.1677 42 E 4.3403 8.2958 119.9164 56.0485 31.0163 175.8525 43 V 4.8764 8.2757 121.7181 61.0229 34.3993 174.2042 44 L 4.7016 9.0947 129.8393 53.3117 44.8053 174.9904 45 I 4.8922 8.4801 126.7231 59.8617 38.5155 174.3273 46 A 4.6467 8.9381 130.2164 50.1638 20.9225 175.3145 47 Q 5.0033 8.4851 123.3971 54.3007 31.5587 174.8189 48 F 4.4928 8.6503 124.0455 57.5024 39.6768 175.8553 49 T 4.5819 8.4290 114.7038 59.7855 71.2033 174.1983 50 E 4.1423 8.7398 118.5646 59.8280 29.8938 177.7829 51 H 3.9828 8.4678 116.5349 57.8679 28.8506 174.3221 52 T 4.8489 7.4759 115.3883 61.7731 69.0145 173.9898 53 S 4.5072 8.8765 122.4114 60.5335 63.8674 174.5757 54 A 5.1408 8.0624 120.5462 49.7068 22.9469 174.6687 55 I 4.9696 8.5397 119.3144 59.4082 40.4992 174.8307 56 K 4.6065 9.2888 128.7195 54.5519 34.7119 174.8622 57 V 4.8133 8.4163 126.3876 61.2154 33.7844 174.2496 58 R 4.4845 9.1396 129.4314 54.8969 32.0171 174.6462 59 G 4.2260 9.0465 113.9704 43.7360 0.0000 173.6063 60 K 4.6786 8.9788 123.7742 54.7885 32.4878 176.0380 61 A 5.0763 9.0597 126.5447 49.8429 23.5221 173.7839 62 Y 4.9580 9.1640 121.4453 56.0242 41.0405 174.5638 63 I 4.9610 8.5678 127.4581 59.5251 40.7883 174.3274 64 Q 4.9818 8.9880 126.1665 54.2882 31.4585 174.8909 65 T 4.8240 8.5074 112.6633 59.3526 72.4647 174.6222 66 R 3.6383 8.5493 121.4518 59.7670 29.8293 176.3352 67 H 4.6919 7.5502 112.9147 55.5907 28.9717 174.4053 68 G 3.7293 8.1562 107.1444 44.2375 0.0000 173.4488 69 V 4.5577 7.7271 111.2178 60.6148 33.6057 175.5183 70 I 4.3726 8.0565 120.3944 60.1707 41.8870 172.4676 71 E 5.2613 8.7763 128.1359 54.3806 31.9441 174.9810 72 S 4.6383 9.0567 122.2627 57.2160 65.3046 172.7576 73 E 4.7966 8.7269 124.9005 54.0508 30.6101 175.2250 74 G 3.8540 8.5985 115.2290 45.5262 0.0000 172.1538 75 K 4.2803 8.6113 122.9831 57.1020 32.7101 176.7682 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 S 8.33 4.48 0.00 3.92 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 8 D 7.99 4.85 0.00 2.81 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 8.80 5.55 0.00 3.15 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 10 V 9.21 4.66 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 0.73 0.00 0.00 0.92 0.00 0.00 11 V 8.62 4.74 2.14 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 1.12 0.00 0.00 1.16 0.00 0.00 12 I 9.03 4.95 1.88 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 1.10 0.60 0.92 0.00 0.00 13 K 9.21 5.04 0.00 1.89 1.81 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.40 7.81 14 A 8.89 4.57 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 15 L 9.24 4.67 0.00 1.57 1.72 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.75 4.77 0.00 1.91 1.90 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 2.18 2.34 0.00 17 D 8.71 4.63 0.00 2.69 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 18 G 8.38 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 0.00 0.00 0.00 19 V 7.82 3.95 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 0.97 0.00 0.00 1.02 0.00 0.00 20 N 9.36 5.24 0.00 2.80 2.63 0.00 0.00 6.63 7.68 0.00 0.00 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 V 8.72 4.54 2.05 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 0.88 0.00 0.00 0.92 0.00 0.00 22 I 8.96 4.76 1.89 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 1.16 0.45 0.94 0.00 0.00 23 G 9.59 4.33 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 0.00 24 L 8.78 4.85 0.00 1.88 1.61 0.99 0.84 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 T 9.08 4.09 4.14 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 1.03 0.00 0.00 *32 F 7.40 4.70 0.00 3.25 3.09 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 0.00 0.00 0.00 33 H 8.14 4.74 0.00 3.10 3.50 0.00 5.74 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.31 4.59 0.00 3.03 3.16 0.00 5.82 0.00 0.00 0.00 0.00 6.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.53 4.83 0.00 3.90 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.30 4.45 0.00 1.99 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 37 K 8.67 4.78 0.00 1.93 1.71 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.64 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.43 1.04 7.81 38 L 9.06 4.98 0.00 1.51 1.51 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 39 D 10.07 5.20 0.00 2.77 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.76 3.98 0.00 1.75 1.77 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.43 7.81 41 G 9.27 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 0.00 0.00 0.00 42 E 8.30 4.34 0.00 2.11 1.87 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 2.32 2.25 0.00 43 V 8.28 4.88 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 0.80 0.00 0.00 0.96 0.00 0.00 44 L 9.09 4.70 0.00 1.73 1.46 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.48 4.89 1.72 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 1.22 0.91 0.62 0.00 0.00 46 A 8.94 4.65 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.49 5.00 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 48 F 8.65 4.49 0.00 3.09 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 49 T 8.43 4.58 4.29 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 1.23 0.00 0.00 50 E 8.74 4.14 0.00 2.09 2.14 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 2.32 2.31 0.00 51 H 8.47 3.98 0.00 3.20 3.27 0.00 5.76 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 52 T 7.48 4.85 4.32 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 1.33 0.00 0.00 53 S 8.88 4.51 0.00 3.91 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 54 A 8.06 5.14 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 55 I 8.54 4.97 1.83 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.61 0.91 0.00 0.00 56 K 9.29 4.61 0.00 1.80 1.66 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.37 7.81 57 V 8.42 4.81 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 0.85 0.00 0.00 0.93 0.00 0.00 58 R 9.14 4.48 0.00 1.91 1.76 0.00 3.13 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 59 G 9.05 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.98 4.68 0.00 1.49 1.72 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.37 1.27 7.81 61 A 9.06 5.08 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.16 4.96 0.00 3.00 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 63 I 8.57 4.96 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.53 0.86 0.00 0.00 64 Q 8.99 4.98 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.61 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 65 T 8.51 4.82 4.13 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 1.18 0.00 0.00 66 R 8.55 3.64 0.00 1.59 1.79 0.00 3.19 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 67 H 7.55 4.69 0.00 3.11 3.25 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.16 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 69 V 7.73 4.56 1.57 0.00 0.00 0.00 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 0.98 0.00 0.00 70 I 8.06 4.37 1.83 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 1.11 0.94 0.86 0.00 0.00 71 E 8.78 5.26 0.00 2.10 1.84 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 2.23 2.47 0.00 72 S 9.06 4.64 0.00 3.93 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 73 E 8.73 4.80 0.00 1.96 1.91 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 2.19 2.35 0.00 74 G 8.60 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 0.00 0.00 0.00 75 K 8.61 4.28 0.00 2.14 1.82 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.40 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.