NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3627 8.3033 118.9334 56.2695 32.0776 174.7100 4 T 4.6760 7.7982 116.8633 60.7644 69.9676 172.5071 5 L 4.6955 9.9792 127.6208 53.3569 45.3857 174.9827 6 C 4.9587 8.5968 120.5006 54.1579 41.5028 177.1648 7 G 3.5136 8.9193 109.8800 46.1718 0.0000 175.9684 8 A 4.0091 8.7040 124.4552 55.0529 17.9377 179.4675 9 E 3.9199 8.2848 117.1099 59.1225 29.4781 179.0655 10 L 3.8275 7.7271 120.0016 58.2260 42.1629 179.0837 11 V 3.2558 7.6078 117.8731 66.0947 31.4635 177.1109 12 D 4.3381 8.4062 118.6308 57.6510 40.7248 178.7014 13 A 3.9551 8.0945 120.6442 55.6226 18.3358 179.7843 14 L 3.7230 7.7410 116.9245 57.8168 41.5559 179.6002 15 Q 4.0884 8.2552 118.3144 59.0621 28.4665 179.1023 16 F 3.9464 8.2857 120.4719 61.3485 39.6110 177.1541 17 V 3.7617 8.2917 116.8203 65.9223 31.6339 176.6698 18 C 4.5328 9.0769 115.3476 55.5630 39.0268 175.7440 19 G 3.6038 8.5868 109.9895 46.5494 0.0000 177.2037 20 D 4.1800 8.7863 124.3190 55.1558 39.6175 177.5903 21 R 3.8600 8.0454 119.4086 57.0962 30.3380 177.8679 22 G 3.8885 8.2224 103.6371 45.0724 0.0000 171.5040 23 F 4.9990 7.0231 112.7033 55.3909 40.9553 172.4834 24 Y 4.9229 7.6953 118.1522 56.0342 41.1436 174.5428 25 F 4.5031 9.2302 116.7088 57.5907 40.9161 175.4074 26 N 5.7525 8.3351 117.2421 50.9064 40.6778 175.0528 27 K 4.4905 8.4555 121.6193 56.1817 33.5972 175.1798 28 P 4.7054 0.0000 0.0000 63.1359 32.7252 174.3956 29 T 4.6978 8.3637 109.1572 60.2189 73.1863 174.0332 30 G 4.3257 9.2162 110.0853 44.4647 0.0000 173.1741 31 Y 4.5290 9.0725 120.4747 56.9204 43.6395 172.4503 *39 P 4.0655 0.0000 0.0000 61.7523 31.6386 176.1122 40 Q 4.2848 8.6107 122.8301 55.8586 29.8019 175.7849 41 T 4.7051 7.9160 117.9767 62.6117 70.0440 171.5894 42 G 4.3628 7.7593 115.1286 45.0144 0.0000 174.9429 43 I 2.8859 7.9509 119.5874 63.8022 37.7715 178.5540 44 V 3.2684 7.6756 118.5822 66.1825 30.6177 177.5029 45 D 4.2559 7.7558 117.5107 57.6399 40.6308 178.5280 46 E 4.1859 7.8292 116.6194 58.2426 29.9249 177.4414 47 C 4.9997 8.7517 115.9357 55.5024 41.6186 173.8187 48 C 4.5753 8.0148 118.4868 58.1617 44.8291 175.2080 49 F 4.5000 7.5809 115.9539 59.5611 38.6151 175.5659 50 R 4.9679 7.6275 118.3906 53.6381 33.9430 175.4342 51 S 4.5721 8.7916 116.9670 58.9344 63.5953 172.1681 52 C 5.2190 9.0121 116.8724 53.8776 46.1552 172.9971 53 D 4.7313 8.3504 119.3534 51.7446 41.3996 177.0715 54 L 3.9565 8.2721 119.4856 58.2785 41.6829 178.8363 55 R 3.9571 7.9400 117.0667 58.9268 30.3301 178.5192 56 R 3.9883 8.8165 119.0627 59.2719 30.1732 177.9274 57 L 3.9445 8.0658 120.3280 58.6257 42.1788 178.6777 58 E 3.9634 8.8621 118.9013 59.5694 29.1757 178.4884 59 M 4.1346 8.2182 117.7175 57.2593 32.1059 176.4055 60 Y 3.9167 7.5260 116.4608 57.5931 38.2421 174.0966 61 C 4.9510 7.6177 117.7689 56.1312 40.9071 173.8153 62 A 4.5920 8.9239 125.5978 51.3031 18.8584 175.5347 63 P 4.0761 0.0000 0.0000 64.3296 31.9882 176.0283 64 L 3.9761 8.8301 125.2508 54.9434 41.0610 176.5117 65 K 4.3487 10.0937 114.6840 57.0236 30.8204 175.1875 66 P 4.3842 0.0000 0.0000 62.6533 31.1747 175.6258 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 3 E 8.30 4.36 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 4 T 7.80 4.68 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 1.24 0.00 0.00 5 L 9.98 4.70 0.00 1.34 1.48 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 6 C 8.60 4.96 0.00 2.81 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 7 G 8.92 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 0.00 0.00 0.00 8 A 8.70 4.01 1.32 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 9 E 8.28 3.92 0.00 2.20 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 2.30 2.29 0.00 10 L 7.73 3.83 0.00 1.84 1.83 0.82 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.61 3.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.16 0.00 0.00 12 D 8.41 4.34 0.00 2.93 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 13 A 8.09 3.96 1.32 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 14 L 7.74 3.72 0.00 0.77 0.67 0.16 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.26 4.09 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.66 2.63 0.00 16 F 8.29 3.95 0.00 3.03 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 17 V 8.29 3.76 2.19 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 0.89 0.00 0.00 1.06 0.00 0.00 18 C 9.08 4.53 0.00 3.18 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 19 G 8.59 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.79 4.18 0.00 2.77 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 21 R 8.05 3.86 0.00 1.82 2.03 0.00 3.19 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 22 G 8.22 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 23 F 7.02 5.00 0.00 2.78 2.78 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 24 Y 7.70 4.92 0.00 3.12 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 25 F 9.23 4.50 0.00 3.24 3.14 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 26 N 8.34 5.75 0.00 2.70 2.93 0.00 0.00 6.93 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 27 K 8.46 4.49 0.00 1.86 1.86 0.00 1.62 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.47 7.81 28 P 0.00 4.71 0.00 2.03 1.96 0.00 3.70 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.80 0.00 29 T 8.36 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 1.28 0.00 0.00 30 G 9.22 4.33 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 0.00 31 Y 9.07 4.53 0.00 3.10 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 *39 P 0.00 4.07 0.00 2.11 2.14 0.00 3.70 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 1.94 2.12 0.00 40 Q 8.61 4.28 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.14 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 41 T 7.92 4.71 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 1.29 0.00 0.00 42 G 7.76 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 2.89 0.56 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.88 0.69 0.00 0.00 44 V 7.68 3.27 1.88 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 0.28 0.00 0.00 0.82 0.00 0.00 45 D 7.76 4.26 0.00 2.99 2.83 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 46 E 7.83 4.19 0.00 1.99 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 0.00 2.43 2.64 0.00 47 C 8.75 5.00 0.00 2.85 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 48 C 8.01 4.58 0.00 2.86 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 49 F 7.58 4.50 0.00 3.27 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 50 R 7.63 4.97 0.00 1.96 1.81 0.00 3.19 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 51 S 8.79 4.57 0.00 3.88 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 52 C 9.01 5.22 0.00 2.95 3.34 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 53 D 8.35 4.73 0.00 2.92 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 54 L 8.27 3.96 0.00 1.78 1.71 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.94 3.96 0.00 1.80 1.97 0.00 3.44 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 56 R 8.82 3.99 0.00 1.89 2.23 0.00 3.18 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 57 L 8.07 3.94 0.00 1.89 1.83 0.85 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.86 3.96 0.00 2.15 2.09 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 2.29 2.35 0.00 59 M 8.22 4.13 0.00 1.58 2.09 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 60 Y 7.53 3.92 0.00 2.86 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 61 C 7.62 4.95 0.00 2.92 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 62 A 8.92 4.59 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.08 0.00 1.97 2.04 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 64 L 8.83 3.98 0.00 1.60 1.41 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 65 K 10.09 4.35 0.00 1.94 2.31 0.00 1.56 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.23 1.40 7.81 66 P 0.00 4.38 0.00 2.05 2.05 0.00 3.67 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.