NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3737 0.0000 0.0000 62.1647 32.6312 175.7837 3 E 4.0986 8.5815 124.7819 54.5984 30.7306 173.8769 4 T 5.0909 9.1716 116.3360 59.9564 73.1209 172.5095 5 L 4.7919 8.7449 121.8995 53.4550 45.8182 175.3256 6 C 4.9561 8.3412 119.3826 55.0632 39.6785 174.4603 7 G 3.5898 8.4673 108.2527 46.4259 0.0000 175.7916 8 A 4.0352 8.6046 120.0789 55.4129 18.3375 179.4001 9 E 3.8735 8.0881 116.5877 59.3073 29.5476 179.1525 10 L 3.8980 7.6993 120.7240 58.0239 42.1563 179.2331 11 V 3.5665 7.7050 117.7859 66.0822 31.4755 177.7563 12 D 4.3681 8.4373 118.7340 57.2960 40.5620 178.5999 13 A 4.0266 8.0787 121.2595 55.1159 18.3291 179.7022 14 L 3.5818 7.6513 117.4704 57.7934 41.4838 179.5034 15 Q 4.1452 7.9228 119.4897 59.0705 28.7521 178.1910 16 F 4.2096 8.1587 120.8123 61.3017 39.5851 177.0979 17 V 3.4974 7.8447 116.7797 66.2301 31.6424 177.0115 18 C 4.4331 8.7624 116.4813 58.0124 36.5800 174.8997 19 G 3.5472 8.7658 110.3538 46.4133 0.0000 175.6410 20 D 4.5203 8.7109 121.8635 55.1143 39.7021 178.0243 21 R 3.8139 7.6364 119.3262 57.3245 30.3741 177.7339 22 G 3.7974 9.5406 103.8132 45.2554 0.0000 171.4657 23 F 4.9598 6.8318 111.9600 55.9844 40.4208 172.6616 24 Y 5.0199 8.7102 118.8711 56.5530 40.8848 175.7304 25 F 4.8133 8.9571 118.3761 59.4053 41.1533 178.0566 26 N 4.5579 8.4404 118.5135 55.9088 39.1703 174.5115 27 K 5.0475 7.7592 114.8463 53.9524 36.2664 173.9357 28 P 3.7728 0.0000 0.0000 62.0494 32.2392 176.2778 29 T 4.1653 8.1538 117.0873 64.7478 70.3187 174.9435 30 G 3.9235 8.5462 115.6559 44.9482 0.0000 177.5422 31 Y 3.1833 8.6128 124.3724 57.7107 36.8450 165.7409 *41 T 4.1837 8.1808 111.8743 61.7015 68.6831 174.1106 42 G 4.1539 8.2866 107.0215 44.9257 0.0000 174.4573 43 I 3.2003 8.2204 121.8032 63.5516 37.7927 178.7542 44 V 3.5246 7.7631 118.7325 65.9424 31.3477 177.4681 45 D 4.6940 8.1566 118.0510 58.2582 40.7869 177.9437 46 E 4.0787 8.3671 119.2406 59.6441 29.3539 178.6653 47 C 4.3260 8.7971 116.3990 60.3145 40.3131 175.5051 48 C 4.0461 8.0290 120.2761 57.5596 43.3664 174.5703 49 F 4.6798 7.7380 116.5355 57.7065 40.1760 175.1762 50 R 4.4778 8.3719 114.9879 55.8803 32.9097 175.3367 51 S 4.8502 7.7434 114.2874 57.5640 66.0972 174.0963 52 C 5.2420 8.9731 126.4469 55.0849 40.7629 172.3255 53 D 4.6295 8.3444 122.7174 51.3446 42.3634 176.0390 54 L 4.0001 8.7088 118.6046 58.0589 41.2594 179.8116 55 R 3.9226 7.9554 117.2257 59.2575 30.1827 178.0692 56 R 4.1356 9.0320 118.9423 59.3690 30.1099 178.4388 57 L 4.0421 7.7894 118.2881 58.0728 41.8165 179.4860 58 E 4.0620 8.1873 117.9670 59.5426 29.2353 179.3102 59 M 4.1375 8.0112 118.6917 57.8001 31.9442 177.1947 60 Y 4.4548 8.0885 115.2474 57.4471 38.5241 174.7649 61 C 4.9896 7.3267 117.4751 56.7921 41.0277 173.5980 62 A 4.3297 8.5354 124.1518 50.9521 19.0357 175.6277 63 P 4.4159 0.0000 0.0000 62.5889 32.7149 177.0602 64 L 4.1338 8.4849 119.7659 55.1836 41.0063 174.4340 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 2 P 0.00 4.37 0.00 2.21 2.16 0.00 3.75 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 1.90 1.98 0.00 3 E 8.58 4.10 0.00 2.15 1.85 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 2.36 2.36 0.00 4 T 9.17 5.09 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 5 L 8.74 4.79 0.00 1.50 1.48 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 6 C 8.34 4.96 0.00 2.82 2.79 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 0.00 0.00 0.00 7 G 8.47 3.59 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 0.00 0.00 0.00 8 A 8.60 4.04 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 9 E 8.09 3.87 0.00 2.14 1.97 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 2.37 2.34 0.00 10 L 7.70 3.90 0.00 1.67 1.82 0.81 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.70 3.57 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 1.21 0.00 0.00 1.14 0.00 0.00 12 D 8.44 4.37 0.00 2.83 2.68 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 0.00 0.00 0.00 0.00 13 A 8.08 4.03 1.34 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 0.00 0.00 14 L 7.65 3.58 0.00 0.99 0.13 0.38 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.92 4.15 0.00 2.34 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 16 F 8.16 4.21 0.00 3.05 3.23 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 17 V 7.84 3.50 2.01 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 0.84 0.00 0.00 1.02 0.00 0.00 18 C 8.76 4.43 0.00 3.18 3.31 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 19 G 8.77 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.71 4.52 0.00 2.76 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 21 R 7.64 3.81 0.00 1.90 2.15 0.00 3.15 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 22 G 9.54 3.80 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 0.00 0.00 0.00 23 F 6.83 4.96 0.00 3.04 2.88 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 24 Y 8.71 5.02 0.00 3.19 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 25 F 8.96 4.81 0.00 3.28 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.44 4.56 0.00 2.92 2.88 0.00 0.00 6.91 6.75 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 27 K 7.76 5.05 0.00 1.66 1.56 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.30 7.81 28 P 0.00 3.77 0.00 1.83 1.01 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 29 T 8.15 4.17 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 1.28 0.00 0.00 30 G 8.55 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 8.61 3.18 0.00 3.11 2.84 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 *41 T 8.18 4.18 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 1.42 0.00 0.00 42 G 8.29 4.15 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 0.00 0.00 0.00 43 I 8.22 3.20 0.56 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.17 0.93 0.00 0.00 44 V 7.76 3.52 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 1.11 0.00 0.00 0.98 0.00 0.00 45 D 8.16 4.69 0.00 3.03 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 46 E 8.37 4.08 0.00 2.01 1.97 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 2.59 2.67 0.00 47 C 8.80 4.33 0.00 3.06 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.03 4.05 0.00 2.73 2.70 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 49 F 7.74 4.68 0.00 3.22 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 50 R 8.37 4.48 0.00 2.02 1.80 0.00 3.35 0.00 0.00 3.21 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 51 S 7.74 4.85 0.00 3.85 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 52 C 8.97 5.24 0.00 3.09 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 53 D 8.34 4.63 0.00 2.80 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 54 L 8.71 4.00 0.00 1.72 1.78 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.96 3.92 0.00 1.81 2.11 0.00 3.25 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 56 R 9.03 4.14 0.00 2.07 2.12 0.00 3.43 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 57 L 7.79 4.04 0.00 1.90 1.66 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.19 4.06 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.57 0.00 59 M 8.01 4.14 0.00 1.87 2.30 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.57 0.00 60 Y 8.09 4.45 0.00 3.18 3.23 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 61 C 7.33 4.99 0.00 2.98 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 62 A 8.54 4.33 0.98 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 63 P 0.00 4.42 0.00 1.98 2.03 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 64 L 8.48 4.13 0.00 1.67 2.02 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.