NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 C 4.5851 8.4431 118.1408 57.0662 42.6726 171.0417 7 G 3.8876 8.0150 109.4004 43.7566 0.0000 167.8259 8 E 4.0015 9.5738 120.3959 58.1467 30.7267 174.6624 9 N 5.0785 8.8939 118.9140 53.1930 37.0483 173.0461 10 E 5.0371 8.1599 119.8307 55.4952 31.1379 176.3648 11 K 4.6502 9.1537 126.4703 53.0994 36.1870 174.6960 12 Y 4.6617 8.4796 120.2095 57.2534 38.5916 174.8526 13 D 4.8366 8.7819 122.3561 54.1662 39.7400 178.7272 *21 D 4.4514 8.7314 116.6459 51.4041 40.9910 174.7233 22 K 4.9616 7.3937 129.6367 57.0032 35.1531 174.5346 23 K 4.6979 8.5487 131.2520 54.4128 33.3195 174.2309 24 C 4.1876 8.5418 119.9486 58.3889 40.4661 174.9715 25 K 4.0533 8.1260 126.5234 53.5979 31.1001 172.4420 26 Y 4.8300 7.8594 122.6588 55.8904 39.0517 175.7004 27 D 4.3161 9.2436 124.2855 55.8702 41.1962 177.0976 28 G 3.8791 9.0849 111.5565 45.4891 0.0000 172.7265 29 V 4.3292 7.3239 118.2797 61.3728 35.1025 175.0984 30 E 3.5115 9.3986 128.3598 57.5938 27.6983 176.7669 *50 C 4.6531 9.1565 127.3157 57.6561 40.2769 174.0882 51 V 4.6473 9.8571 123.3470 60.5808 35.0442 174.2060 52 C 4.6725 8.8138 122.0939 56.9534 42.0802 173.7857 53 E 3.9389 8.9919 121.7926 57.0278 29.8465 179.6816 54 E 3.4023 7.8527 121.9781 59.1414 30.1958 178.8930 55 G 3.7172 7.6769 106.2590 47.9748 0.0000 173.7896 56 F 5.3480 6.8703 121.4607 56.4663 42.0701 173.9498 57 Y 4.9657 8.6196 118.9577 58.6605 43.3021 174.9199 58 R 4.9514 8.8621 122.8658 55.9410 30.9119 177.6110 59 N 5.0489 8.4935 126.1351 50.8880 39.6401 177.6577 60 K 4.4155 9.0046 123.0194 54.9014 30.6903 172.8654 61 D 4.9271 8.4086 115.1263 59.6221 42.8203 180.9499 62 D 4.3318 7.1242 119.9816 53.1443 39.1234 174.4937 63 K 4.5770 8.8234 121.1778 55.1840 34.5277 176.1814 64 C 5.1355 8.8453 122.3023 56.7726 35.6791 173.2856 65 V 4.4368 8.6299 121.2246 60.3252 34.7736 173.6091 66 S 4.4379 8.3347 116.2311 58.0620 63.6483 174.8614 67 A 3.6191 9.0344 123.7834 55.7201 18.0447 179.5134 68 E 4.0088 8.1085 116.8719 59.5430 29.8209 178.5275 69 D 4.4172 7.8061 117.7122 56.7363 40.6494 177.7341 70 C 4.1693 8.3373 117.9371 60.5279 38.9179 176.1749 71 E 3.3631 8.0591 119.2936 58.9940 28.4311 179.2010 72 L 4.1000 7.8591 119.4386 58.0136 41.4674 178.8613 73 D 4.5991 9.1232 118.4086 55.9966 40.6432 176.7440 74 N 4.8146 7.9525 116.5177 52.7499 39.1729 173.7916 75 M 4.4600 7.4381 116.9123 53.3893 34.4972 175.0599 76 D 4.6227 8.3807 123.6770 53.3373 42.1015 175.7337 77 F 4.6682 8.6792 122.6231 56.0756 40.5392 175.4173 78 I 4.8676 7.6337 124.3369 60.0582 42.6603 172.5405 79 Y 4.2783 8.9856 120.4698 57.6487 36.3884 176.9653 80 P 4.7009 0.0000 0.0000 60.2371 31.4705 171.1171 81 G 3.7963 8.0129 112.0035 45.5375 0.0000 169.8844 82 T 4.6917 8.7770 115.1051 63.2904 75.9850 173.5735 83 R 4.0195 7.9106 125.8916 55.7585 30.0270 175.3343 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 6 C 8.44 4.59 0.00 2.67 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 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 8 E 9.57 4.00 0.00 1.96 1.96 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 2.37 2.42 0.00 9 N 8.89 5.08 0.00 3.55 3.48 0.00 0.00 7.55 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 10 E 8.16 5.04 0.00 2.02 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 2.26 2.39 0.00 11 K 9.15 4.65 0.00 1.34 1.61 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 1.25 7.81 12 Y 8.48 4.66 0.00 2.84 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 13 D 8.78 4.84 0.00 2.65 1.80 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 D 8.73 4.45 0.00 2.81 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.39 4.96 0.00 1.89 1.70 0.00 1.61 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.37 7.81 23 K 8.55 4.70 0.00 1.58 1.58 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.35 1.04 7.81 24 C 8.54 4.19 0.00 2.55 2.11 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 25 K 8.13 4.05 0.00 1.77 1.63 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.33 1.02 7.81 26 Y 7.86 4.83 0.00 2.94 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 27 D 9.24 4.32 0.00 2.89 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 9.08 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 29 V 7.32 4.33 2.37 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 0.99 0.00 0.00 1.00 0.00 0.00 30 E 9.40 3.51 0.00 2.17 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 2.22 2.33 0.00 *50 C 9.16 4.65 0.00 2.95 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 51 V 9.86 4.65 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 0.97 0.00 0.00 0.93 0.00 0.00 52 C 8.81 4.67 0.00 2.99 2.87 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 53 E 8.99 3.94 0.00 1.16 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.78 0.00 54 E 7.85 3.40 0.00 1.86 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 0.00 2.21 2.23 0.00 55 G 7.68 3.72 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 0.00 0.00 0.00 56 F 6.87 5.35 0.00 2.88 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 57 Y 8.62 4.97 0.00 2.89 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 58 R 8.86 4.95 0.00 1.51 1.82 0.00 3.26 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.44 0.00 59 N 8.49 5.05 0.00 3.26 3.00 0.00 0.00 6.94 6.98 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 60 K 9.00 4.42 0.00 1.81 1.74 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.26 7.81 61 D 8.41 4.93 0.00 2.65 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.12 4.33 0.00 2.68 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 63 K 8.82 4.58 0.00 1.90 1.74 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.75 7.81 64 C 8.85 5.14 0.00 3.22 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.63 4.44 2.10 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 0.69 0.00 0.00 0.86 0.00 0.00 66 S 8.33 4.44 0.00 4.00 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 67 A 9.03 3.62 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 68 E 8.11 4.01 0.00 2.04 1.95 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 2.38 2.40 0.00 69 D 7.81 4.42 0.00 3.02 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 70 C 8.34 4.17 0.00 3.16 3.27 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 0.00 71 E 8.06 3.36 0.00 2.08 2.02 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 2.37 2.52 0.00 72 L 7.86 4.10 0.00 2.02 1.82 1.11 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 73 D 9.12 4.60 0.00 2.37 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 74 N 7.95 4.81 0.00 2.61 2.62 0.00 0.00 6.75 7.22 0.00 0.00 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 M 7.44 4.46 0.00 1.32 1.42 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.29 0.00 76 D 8.38 4.62 0.00 2.56 2.56 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 0.00 0.00 0.00 0.00 77 F 8.68 4.67 0.00 3.06 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 78 I 7.63 4.87 1.77 0.00 0.00 0.81 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 0.49 0.91 0.00 0.00 79 Y 8.99 4.28 0.00 3.00 2.46 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 0.00 0.00 0.00 0.00 80 P 0.00 4.70 0.00 2.16 2.08 0.00 3.86 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.01 0.00 81 G 8.01 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 82 T 8.78 4.69 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 1.19 0.00 0.00 83 R 7.91 4.02 0.00 1.79 1.86 0.00 3.43 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 * Residues marked with a * may have inaccurate shift predictions.