NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4753 8.2931 120.3273 55.5915 33.3167 174.1485 2 G 3.7722 8.3639 106.5130 45.5741 0.0000 172.4999 3 A 4.3706 7.8537 121.0892 52.3097 20.3238 177.0255 4 Q 4.2370 8.9558 118.3532 54.4540 31.4129 174.1447 5 V 3.9806 8.2915 124.9377 62.5565 32.6254 175.0379 6 S 4.6920 8.1412 123.0655 56.9162 67.1623 172.4117 7 T 4.7782 8.1513 116.6537 62.6423 69.5731 175.5290 8 Q 4.6453 8.5046 124.7529 54.9325 30.2431 175.6706 9 K 4.2237 8.6241 121.9297 55.9783 32.9943 176.5202 10 T 3.7902 8.3795 121.5622 64.1223 68.9352 173.7277 11 G 4.0325 8.3503 113.6405 44.2133 0.0000 172.8969 12 A 4.5386 8.3486 120.7570 52.3521 19.0290 177.9066 13 H 4.8277 7.8401 115.8977 57.0181 29.8471 171.3890 14 E 4.7565 7.6986 117.9163 54.9297 33.3532 175.7326 15 T 3.3637 8.2776 113.2458 64.9045 65.9897 173.4240 *24 I 3.9089 7.7169 110.2674 60.5232 40.0681 176.3141 25 I 4.2993 7.3726 123.1963 59.8281 36.4928 173.7869 26 H 5.4212 7.2953 116.0266 54.4390 32.0538 173.7663 27 Y 5.0549 8.4347 117.4559 55.7082 41.5994 174.1636 28 T 4.9140 8.6711 115.8231 62.0467 71.4341 173.5075 29 N 5.1802 8.6151 122.0554 52.3427 43.0613 173.2602 30 I 4.7562 7.9292 124.5316 59.8227 41.2640 174.3090 31 N 4.2066 8.5780 124.5818 52.7667 39.3027 174.6293 32 Y 4.3982 7.6814 119.7089 58.6528 39.2404 175.5231 33 Y 4.7952 7.3286 116.0995 56.4224 39.5864 175.8886 34 K 4.1932 8.7296 121.1413 58.3244 32.8386 177.0354 35 D 4.8690 7.9327 119.0752 52.1618 42.5218 177.3396 36 A 3.9713 8.6118 126.1418 54.8551 18.6297 179.1504 37 A 4.1734 7.8933 117.4019 54.5282 18.6470 178.6293 38 S 4.2860 7.9807 111.4751 60.4802 63.2880 174.7179 39 N 4.5757 7.6293 117.0452 52.8355 38.7816 174.7606 40 S 4.3699 8.2724 114.4462 57.3672 64.0807 173.8059 41 A 4.1178 8.2922 123.7930 52.9320 18.7527 178.0522 42 N 4.7358 8.1977 117.9985 52.3007 37.1781 176.5251 43 R 4.2591 7.6956 114.2741 57.3332 30.7061 177.4538 44 Q 3.7309 7.3964 116.8930 55.2713 29.4363 175.3451 45 D 4.3463 7.5640 118.7869 52.9462 41.3403 176.2333 46 F 5.0141 7.9302 128.6487 56.1808 38.1416 175.5310 47 T 4.7010 7.7527 117.9750 62.2535 70.7217 174.9001 48 Q 4.6375 7.9186 121.4431 55.3027 32.9477 174.5787 49 D 4.6382 8.0885 114.0777 52.1772 42.7998 174.7388 50 P 4.5326 0.0000 0.0000 64.8172 31.8107 178.0809 51 G 3.8705 8.1879 104.7010 48.0804 0.0000 175.2887 52 K 3.6442 7.1396 118.3831 58.8813 32.0138 178.3545 53 F 4.8911 7.4551 115.3711 58.7478 40.2989 177.4857 54 T 4.3487 8.2787 108.8031 62.9169 70.0784 174.9000 55 E 4.8049 7.9866 119.9648 54.8091 30.2354 173.5928 56 P 4.5973 0.0000 0.0000 63.1992 32.1700 177.1285 57 V 4.1409 7.4816 111.2183 61.3173 32.9392 176.6490 58 K 4.0335 8.5738 123.5049 58.3640 32.4099 176.6589 59 D 4.8510 7.7937 118.4433 51.8937 42.1357 175.9901 60 I 3.6099 8.4137 125.0075 62.2443 37.5336 175.1638 61 M 4.5061 8.4661 124.3138 53.4621 33.4993 175.5293 62 I 4.0341 8.2624 125.5118 60.3201 37.8895 176.1679 63 K 3.8509 8.9462 127.8520 60.1094 31.9353 177.6535 64 T 4.1274 7.8905 103.2356 62.5337 68.2890 173.0659 65 M 4.8702 7.9401 121.4469 52.5641 35.5893 173.3725 66 P 4.3839 0.0000 0.0000 62.4212 32.1592 176.5413 67 A 4.1451 8.7502 124.9568 54.4063 18.6182 177.7492 68 L 4.8401 7.2759 113.3547 53.1850 45.1966 176.0150 69 N 4.2605 8.5389 119.3711 54.3858 38.7221 173.9998 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 M 8.29 4.48 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.64 0.00 2 G 8.36 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.85 4.37 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 4 Q 8.96 4.24 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.94 0.00 0.00 0.00 0.00 0.00 2.49 2.26 0.00 5 V 8.29 3.98 1.94 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 0.60 0.00 0.00 0.85 0.00 0.00 6 S 8.14 4.69 0.00 2.72 3.51 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 0.00 0.00 0.00 0.00 7 T 8.15 4.78 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 1.26 0.00 0.00 8 Q 8.50 4.65 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.85 0.00 0.00 0.00 0.00 0.00 2.75 2.51 0.00 9 K 8.62 4.22 0.00 1.78 1.75 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.54 7.81 10 T 8.38 3.79 4.25 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 1.22 0.00 0.00 11 G 8.35 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 0.00 0.00 0.00 12 A 8.35 4.54 1.28 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 0.00 0.00 0.00 13 H 7.84 4.83 0.00 3.09 3.16 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 7.70 4.76 0.00 1.96 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 2.39 2.27 0.00 15 T 8.28 3.36 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 *24 I 7.72 3.91 1.81 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 1.28 0.51 0.90 0.00 0.00 25 I 7.37 4.30 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.38 0.94 0.00 0.00 26 H 7.30 5.42 0.00 3.25 3.20 0.00 5.71 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.43 5.05 0.00 3.11 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 28 T 8.67 4.91 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 1.23 0.00 0.00 29 N 8.62 5.18 0.00 2.93 2.66 0.00 0.00 7.03 7.77 0.00 0.00 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 I 7.93 4.76 1.79 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 1.38 0.69 0.84 0.00 0.00 31 N 8.58 4.21 0.00 2.60 2.72 0.00 0.00 7.03 7.46 0.00 0.00 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 Y 7.68 4.40 0.00 2.11 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 33 Y 7.33 4.80 0.00 3.05 2.90 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 34 K 8.73 4.19 0.00 1.81 1.91 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.53 7.81 35 D 7.93 4.87 0.00 2.71 2.58 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 0.00 0.00 0.00 0.00 36 A 8.61 3.97 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 37 A 7.89 4.17 1.28 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 0.00 0.00 0.00 38 S 7.98 4.29 0.00 4.12 3.88 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 0.00 0.00 0.00 39 N 7.63 4.58 0.00 2.80 2.76 0.00 0.00 7.02 8.51 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 40 S 8.27 4.37 0.00 3.97 3.88 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 0.00 0.00 0.00 41 A 8.29 4.12 1.25 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 42 N 8.20 4.74 0.00 2.74 2.71 0.00 0.00 6.86 7.66 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 43 R 7.70 4.26 0.00 1.80 1.99 0.00 3.13 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 44 Q 7.40 3.73 0.00 1.90 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 45 D 7.56 4.35 0.00 2.46 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 46 F 7.93 5.01 0.00 3.12 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 47 T 7.75 4.70 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 1.23 0.00 0.00 48 Q 7.92 4.64 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.41 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 49 D 8.09 4.64 0.00 2.67 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.53 0.00 2.22 2.16 0.00 3.69 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 2.14 2.21 0.00 51 G 8.19 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 52 K 7.14 3.64 0.00 0.79 1.17 0.00 1.22 0.00 0.00 1.44 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.22 1.48 7.81 53 F 7.46 4.89 0.00 3.05 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 54 T 8.28 4.35 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 1.29 0.00 0.00 55 E 7.99 4.80 0.00 1.92 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 2.23 2.22 0.00 56 P 0.00 4.60 0.00 2.18 2.39 0.00 3.75 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 57 V 7.48 4.14 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 0.70 0.00 0.00 1.00 0.00 0.00 58 K 8.57 4.03 0.00 1.71 1.83 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.45 7.81 59 D 7.79 4.85 0.00 2.68 2.57 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 0.00 0.00 0.00 0.00 60 I 8.41 3.61 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 1.41 0.46 0.91 0.00 0.00 61 M 8.47 4.51 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.52 0.00 62 I 8.26 4.03 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 1.30 0.73 0.91 0.00 0.00 63 K 8.95 3.85 0.00 1.71 1.88 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.48 7.81 64 T 7.89 4.13 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 65 M 7.94 4.87 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 66 P 0.00 4.38 0.00 2.38 2.05 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 67 A 8.75 4.15 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 68 L 7.28 4.84 0.00 1.59 1.53 0.92 0.92 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 69 N 8.54 4.26 0.00 2.60 2.60 0.00 0.00 6.91 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.