NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1784 8.2549 117.2636 54.7719 31.1125 174.8996 2 P 4.0283 0.0000 0.0000 60.4963 31.9930 176.1584 3 D 4.3442 8.5059 122.1017 56.7170 40.0508 178.6654 4 F 4.3796 7.8968 115.2083 59.6439 37.6043 177.8482 5 C 4.6393 7.3367 115.8519 59.1183 40.0219 174.7556 6 L 4.3313 7.7094 118.4633 54.0735 42.0266 176.4528 7 E 4.4449 7.4209 119.1728 54.4040 30.5640 174.7744 8 P 4.3942 0.0000 0.0000 61.5589 32.0757 174.4498 9 P 3.4899 0.0000 0.0000 63.0130 31.1649 175.0767 10 Y 4.6162 7.8540 122.4302 56.0083 39.7840 175.2683 11 T 4.1516 8.2590 125.5900 64.9183 68.8337 176.1454 12 G 3.7027 6.6917 105.1627 43.9970 0.0000 171.3305 13 P 4.3162 0.0000 0.0000 65.1437 31.9526 178.0171 14 C 4.4594 7.9004 116.1270 57.0051 40.6307 173.5434 15 K 4.1403 8.2431 119.9640 56.3098 32.3599 176.6038 16 A 4.3172 7.8556 121.4542 51.3422 20.9023 177.5412 17 R 4.4912 8.3778 119.5425 54.4952 30.9154 173.3866 18 I 4.4016 8.4853 125.7380 58.9340 39.6258 174.8263 19 I 4.2715 8.3199 128.8973 61.2212 37.6088 175.5906 20 R 4.7766 8.3464 125.0958 54.6364 34.9403 173.6507 21 Y 5.5865 9.5036 117.8803 56.7045 40.7794 175.3142 22 F 5.7487 9.5344 116.8233 55.5214 41.8893 172.7190 23 Y 4.4164 10.0961 122.5155 57.0860 40.1027 173.8099 24 N 4.6509 8.1199 126.6851 51.8375 38.9868 175.0577 25 A 3.7720 8.6795 132.4812 55.6775 18.8526 179.5333 26 K 4.0759 8.1198 115.6329 57.5542 31.9050 180.0434 27 A 4.0788 8.0239 121.4672 52.6384 18.6279 178.1938 28 G 3.8935 8.8971 103.5997 45.2962 0.0000 172.8197 29 L 4.5749 6.7781 117.8861 54.6010 43.8755 174.3607 30 C 4.9624 8.6189 117.0023 56.5355 40.4653 173.1200 31 Q 4.8756 8.5170 121.1138 54.3142 33.2196 174.2861 32 T 4.9971 8.4553 110.3809 61.2801 70.7568 173.7005 33 F 4.9851 8.9037 116.9830 55.9335 42.1467 173.0904 34 V 4.2701 8.4157 119.6539 61.9697 32.0368 174.1722 35 Y 4.7187 8.7288 130.5897 56.2327 40.0576 176.5720 36 G 3.8837 8.2487 113.6605 46.4012 0.0000 174.9364 37 G 3.7798 6.1506 106.6366 45.4076 0.0000 172.2040 38 C 4.8980 7.1369 112.1253 54.6490 44.5833 173.0160 39 R 3.7675 8.8051 115.8115 56.8321 27.3019 176.9632 40 A 4.2640 8.2966 118.5365 52.5897 19.0494 178.3508 41 K 4.3603 8.3457 120.8541 54.9410 33.8495 177.3405 42 R 3.5554 8.0805 118.0385 58.8649 30.3504 177.6199 43 N 4.8044 7.8303 118.0630 51.2237 37.3799 173.8777 44 N 5.0580 6.5308 116.2675 52.8395 41.6162 173.1648 45 F 5.0442 9.5332 124.7586 55.7325 42.6176 176.1835 46 K 4.5465 8.8626 121.2761 57.5084 32.8246 177.6534 47 S 4.5619 7.7122 113.2997 55.7280 67.0149 174.7227 48 A 3.3846 7.5983 127.6107 55.5371 18.0912 180.7134 49 E 3.7806 7.7551 116.4300 61.3628 29.9287 181.2275 50 D 4.4546 7.8669 119.1488 56.9389 41.2476 177.5613 51 C 2.4500 7.6146 118.7520 59.4110 43.3732 175.5983 52 M 3.9579 7.9753 120.4433 58.0791 31.2129 178.8114 53 R 3.7772 7.5376 118.4165 59.5958 30.3249 178.3800 54 T 4.1422 7.4473 114.3478 65.8033 68.2920 175.4755 55 C 4.5946 8.2937 116.1032 56.3691 41.1953 176.0923 56 G 3.3170 7.8358 110.2506 46.3383 0.0000 175.9582 57 G 3.4526 6.8386 108.0712 45.3972 0.0000 173.5055 *58 A 4.0539 8.4647 123.8320 52.4853 18.8838 176.5490 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 R 8.25 4.18 0.00 1.69 1.85 0.00 2.98 0.00 0.00 3.02 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.46 0.00 2 P 0.00 4.03 0.00 1.01 1.56 0.00 3.27 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.98 0.00 3 D 8.51 4.34 0.00 2.95 2.92 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 4 F 7.90 4.38 0.00 3.29 3.38 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 0.00 5 C 7.34 4.64 0.00 2.95 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.71 4.33 0.00 1.77 1.75 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.42 4.44 0.00 2.15 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 2.38 2.42 0.00 8 P 0.00 4.39 0.00 2.10 2.02 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 9 P 0.00 3.49 0.00 0.73 0.49 0.00 3.35 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.61 0.00 10 Y 7.85 4.62 0.00 2.80 2.92 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 11 T 8.26 4.15 4.11 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 1.18 0.00 0.00 12 G 6.69 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 0.00 0.00 0.00 13 P 0.00 4.32 0.00 2.17 2.20 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 14 C 7.90 4.46 0.00 2.78 2.95 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 15 K 8.24 4.14 0.00 1.67 1.74 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.34 7.81 16 A 7.86 4.32 1.14 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 0.00 0.00 0.00 17 R 8.38 4.49 0.00 1.74 1.78 0.00 3.17 0.00 0.00 3.19 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.56 0.00 18 I 8.49 4.40 2.01 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 1.19 0.76 0.98 0.00 0.00 19 I 8.32 4.27 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.68 0.72 0.00 0.00 20 R 8.35 4.78 0.00 0.95 1.93 0.00 3.42 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 21 Y 9.50 5.59 0.00 3.19 3.03 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 22 F 9.53 5.75 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 23 Y 10.10 4.42 0.00 3.09 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 24 N 8.12 4.65 0.00 2.29 2.47 0.00 0.00 6.63 8.59 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 25 A 8.68 3.77 1.37 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 0.00 0.00 26 K 8.12 4.08 0.00 1.79 1.74 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.01 7.81 27 A 8.02 4.08 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 28 G 8.90 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 29 L 6.78 4.57 0.00 1.69 1.72 0.82 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.62 4.96 0.00 2.88 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 31 Q 8.52 4.88 0.00 1.57 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.21 2.05 0.00 32 T 8.46 5.00 4.05 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 0.00 0.00 0.00 0.61 0.00 0.00 33 F 8.90 4.99 0.00 2.94 3.05 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 0.00 0.00 0.00 0.00 34 V 8.42 4.27 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 0.90 0.00 0.00 35 Y 8.73 4.72 0.00 2.49 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.25 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 0.00 0.00 0.00 37 G 6.15 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 38 C 7.14 4.90 0.00 3.06 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 39 R 8.81 3.77 0.00 2.14 2.18 0.00 3.26 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 40 A 8.30 4.26 1.01 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 0.00 0.00 41 K 8.35 4.36 0.00 1.76 1.69 0.00 1.41 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.12 0.96 7.81 42 R 8.08 3.56 0.00 1.07 0.66 0.00 2.38 0.00 0.00 2.85 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.27 0.00 43 N 7.83 4.80 0.00 3.18 2.87 0.00 0.00 6.70 7.79 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 44 N 6.53 5.06 0.00 2.68 2.55 0.00 0.00 7.08 7.02 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 45 F 9.53 5.04 0.00 3.28 2.97 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 0.00 0.00 0.00 46 K 8.86 4.55 0.00 1.84 1.94 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.47 7.81 47 S 7.71 4.56 0.00 3.89 3.91 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 48 A 7.60 3.38 0.80 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 49 E 7.76 3.78 0.00 1.99 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 2.31 1.94 0.00 50 D 7.87 4.45 0.00 2.79 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.61 2.45 0.00 2.84 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.98 3.96 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.71 0.00 53 R 7.54 3.78 0.00 1.81 2.01 0.00 3.24 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 54 T 7.45 4.14 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 1.62 0.00 0.00 55 C 8.29 4.59 0.00 2.69 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 56 G 7.84 3.32 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 0.00 57 G 6.84 3.45 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 0.00 0.00 0.00 *58 A 8.46 4.05 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.