NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 D 4.5860 8.3644 120.1787 54.6433 42.2088 174.7710 -3 Y 4.3237 8.5754 120.2866 55.5817 40.4609 173.7267 -2 A 4.8144 9.2905 119.3679 52.2773 21.3390 175.7786 -1 K 4.1781 7.9776 117.7594 58.7098 34.9418 176.8335 -3 C 4.3237 8.7754 118.5866 55.8817 30.6609 172.4267 -2 V 4.6144 9.0805 114.7679 61.9773 35.1390 174.2786 -1 F 4.4781 7.9876 117.6594 60.2098 41.4418 176.0334 4 P 5.0718 0.0000 0.0000 62.3396 32.3242 175.0144 5 F 5.2719 9.3582 116.5662 55.6478 42.0695 174.1990 6 I 4.4371 8.9891 120.0088 58.9146 38.0710 172.7092 7 Y 4.4623 8.4242 126.0674 57.7177 39.8001 175.2603 8 G 4.1140 10.2850 115.7826 46.3068 0.0000 172.1781 9 G 3.8251 8.4440 104.0833 45.8827 0.0000 175.0027 10 K 4.0795 8.2334 122.1580 54.6022 33.7664 172.7963 11 K 3.9860 8.8536 125.4498 55.9926 32.0463 174.5336 12 Y 4.4729 7.6085 119.3688 57.2691 41.6436 172.9405 13 E 4.3859 7.8234 117.7255 57.5708 32.8052 180.2950 14 T 3.7473 7.2953 115.5848 61.0869 71.0315 174.6422 15 C 4.4387 7.9419 118.5287 57.5353 35.2082 173.0060 16 T 3.9006 6.7873 111.3406 61.0342 69.5915 173.9336 17 K 4.0244 8.6020 130.4606 58.0799 32.6319 176.6858 18 I 3.4912 8.7668 116.9967 61.9452 36.3538 173.8069 19 G 4.0421 8.4692 103.1061 46.0897 0.0000 175.0428 20 S 4.7853 8.2717 123.2758 58.1003 61.0325 176.0097 21 M 4.5694 8.6517 121.0484 53.3901 33.1361 174.7709 *23 W 4.7645 8.3017 135.0000 56.6941 32.9561 174.6574 24 M 4.3054 6.9976 121.7130 54.1749 38.6922 173.6427 25 S 4.9082 7.6367 112.6644 58.0023 67.2709 175.4671 26 W 5.1907 7.3329 115.5432 55.1057 32.0914 173.0534 27 C 4.7925 9.4899 119.6176 54.6602 46.8498 172.1480 28 S 5.4182 8.1035 117.8609 57.2656 62.5487 173.6107 29 L 4.1064 9.5522 129.8085 57.4342 42.3391 177.8379 30 S 4.5344 7.7640 112.3773 57.0040 63.9705 172.2942 31 P 4.3749 0.0000 0.0000 66.0168 31.5861 175.7110 32 N 4.8890 7.9278 118.1038 53.6283 39.4679 173.7038 33 Y 4.2600 8.5745 125.9895 56.2387 39.7423 174.9173 34 D 4.4541 9.7500 117.0741 54.9293 40.5322 174.5888 35 K 3.4712 7.2970 114.2375 56.3979 29.8284 176.9863 36 D 4.5032 8.1014 120.1826 56.3340 38.9249 175.9000 37 R 3.7856 7.6221 114.7975 56.9772 29.4239 177.0856 38 A 4.7569 7.8454 119.4091 52.2758 18.8936 177.3842 39 W 5.7449 8.1485 116.2185 58.1101 31.5394 173.1817 40 K 4.3542 9.1908 117.1796 55.8381 35.3949 175.0013 41 Y 4.7774 8.4653 122.8164 57.8299 40.0081 176.1177 42 C 4.4247 7.8966 120.8804 57.0060 41.5428 174.0117 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 -4 D 8.36 4.59 0.00 2.57 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.58 4.32 0.00 3.02 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.29 4.81 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 -1 K 7.98 4.18 0.00 1.77 1.79 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.36 1.42 7.81 -3 C 8.78 4.32 0.00 2.92 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.08 4.61 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 0.78 0.00 0.00 0.93 0.00 0.00 -1 F 7.99 4.48 0.00 3.07 3.08 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 0.00 0.00 0.00 0.00 4 P 0.00 5.07 0.00 2.09 2.12 0.00 3.37 0.00 0.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.83 0.00 5 F 9.36 5.27 0.00 3.47 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.99 4.44 2.04 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 1.15 1.15 0.96 0.00 0.00 7 Y 8.42 4.46 0.00 3.47 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 G 10.28 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 0.00 0.00 0.00 0.00 9 G 8.44 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.23 4.08 0.00 1.58 1.89 0.00 1.90 0.00 0.00 1.94 0.00 0.00 3.04 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.72 1.11 7.81 11 K 8.85 3.99 0.00 1.68 1.64 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.21 1.31 7.81 12 Y 7.61 4.47 0.00 1.43 2.12 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 13 E 7.82 4.39 0.00 1.81 1.60 0.00 0.00 0.00 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 2.12 0.00 14 T 7.30 3.75 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 1.11 0.00 0.00 15 C 7.94 4.44 0.00 2.65 2.77 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 16 T 6.79 3.90 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 0.05 0.00 0.00 17 K 8.60 4.02 0.00 1.83 1.80 0.00 2.12 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.74 1.59 7.81 18 I 8.77 3.49 2.09 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.94 1.37 0.00 0.00 19 G 8.47 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.27 4.79 0.00 4.29 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 21 M 8.65 4.57 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.60 0.00 *23 W 8.30 4.76 0.00 3.29 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.00 4.31 0.00 2.54 1.95 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.83 0.00 25 S 7.64 4.91 0.00 3.69 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 26 W 7.33 5.19 0.00 4.12 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.49 4.79 0.00 3.01 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.10 5.42 0.00 2.72 3.44 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 29 L 9.55 4.11 0.00 1.74 1.72 1.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.76 4.53 0.00 4.12 4.09 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 31 P 0.00 4.37 0.00 2.22 2.14 0.00 3.98 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 2.22 2.03 0.00 32 N 7.93 4.89 0.00 2.79 2.81 0.00 0.00 6.91 7.61 0.00 0.00 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 8.57 4.26 0.00 3.48 3.33 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 34 D 9.75 4.45 0.00 2.96 2.69 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 35 K 7.30 3.47 0.00 1.84 2.12 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.38 1.33 7.81 36 D 8.10 4.50 0.00 2.54 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 37 R 7.62 3.79 0.00 2.18 2.30 0.00 3.09 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 1.63 1.69 0.00 38 A 7.85 4.76 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.15 5.74 0.00 4.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 9.19 4.35 0.00 1.82 1.90 0.00 1.33 0.00 0.00 1.79 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.45 7.81 41 Y 8.47 4.78 0.00 2.85 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.90 4.42 0.00 2.68 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 * Residues marked with a * may have inaccurate shift predictions.