NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9306 8.3549 109.7369 45.1442 0.0000 174.4622 3 K 3.9852 8.3807 118.2592 54.5885 33.9835 171.2629 4 V 4.4831 8.6096 121.9364 61.4383 35.5311 173.4970 5 Y 4.9790 8.8848 124.5138 56.1457 40.8315 174.7096 6 K 4.4802 8.1848 122.8144 54.5091 35.1136 174.7692 7 K 4.9728 8.4724 125.4624 54.6781 34.3820 175.7393 8 V 4.4561 8.6392 123.7323 61.0275 35.0205 173.7473 9 E 5.0250 8.8663 128.3593 55.0567 30.3598 174.7495 10 L 4.8620 9.0086 127.2215 52.8455 45.8060 176.1057 11 V 4.6107 8.3056 120.4059 61.1934 33.4404 174.8922 12 G 4.4080 8.9620 116.5823 44.9975 0.0000 171.6184 13 T 5.3563 8.1598 113.6789 60.1837 72.0746 173.0751 14 S 4.6658 8.7705 115.2670 57.9630 65.9245 175.4348 15 E 4.6529 9.0570 124.3933 57.7008 30.1459 177.6551 16 E 4.1955 8.3076 118.5941 57.7160 30.2981 176.3341 17 G 3.4126 7.1447 104.5626 44.0534 0.0000 173.6811 18 L 3.7566 7.3567 118.1549 57.8440 41.4905 179.4372 19 E 3.9076 8.0410 117.7655 59.4705 29.4366 179.2088 20 A 3.9374 7.8952 119.9750 54.8891 18.5313 179.4548 21 A 3.9242 7.7538 119.0413 55.3300 18.4880 179.8861 22 I 3.5118 7.6841 118.2870 64.7216 37.0936 178.7725 23 Q 3.9030 8.1872 118.6048 58.6181 28.5393 178.7264 24 A 3.9084 8.0430 121.6929 55.0489 18.4737 179.4915 25 A 3.8868 7.8228 118.6938 55.4600 18.5547 179.7863 26 L 3.8912 7.8308 117.2399 57.6663 41.3882 179.5927 27 A 3.9727 8.0191 120.5240 55.0132 18.1875 179.3847 28 R 3.9266 7.9136 116.6529 59.3206 30.1694 178.4772 29 A 3.8897 7.9638 120.6656 55.2482 17.1292 179.6349 30 R 3.9589 7.9986 116.9730 59.3127 29.8366 178.8642 31 K 4.2433 7.6152 117.2823 58.7960 32.0057 177.8243 32 T 4.4069 7.2434 113.6441 63.3702 71.0241 174.1446 33 L 4.4749 7.9912 120.1540 52.7555 43.6367 175.9299 34 R 4.5037 7.9196 119.9979 55.4995 33.0299 174.9264 35 H 4.1768 8.4533 113.3581 56.7659 26.1779 175.1986 36 L 4.4805 8.1486 118.8180 55.4882 42.1294 175.7191 37 D 5.2097 9.3186 122.7370 55.2117 43.0232 176.3010 38 W 5.5723 7.8759 113.4014 54.9912 32.0548 172.9767 39 F 5.4588 8.5089 114.2829 55.3177 41.2319 173.8905 40 E 4.6947 9.3245 118.6016 54.7337 33.4586 174.9568 41 V 4.1735 8.6983 125.3514 62.8861 31.6830 175.5356 42 K 4.4907 9.2306 128.7634 58.6170 32.9925 176.8937 43 E 4.7913 7.8643 115.0315 55.3924 32.8864 174.1066 44 I 4.8456 8.3807 121.5053 60.0346 39.5784 174.8826 45 R 4.7709 9.5840 126.7400 55.1519 34.5700 174.2691 46 G 4.3658 7.7760 106.6352 47.3307 0.0000 171.9350 47 T 4.8164 7.8112 109.6366 59.8275 71.9584 173.3554 48 I 4.7618 8.2680 122.6955 59.8050 39.8103 175.3628 49 G 4.3274 8.8195 116.3593 43.8337 0.0000 172.4633 50 E 3.8116 8.9566 118.5082 58.7471 29.7108 178.2024 51 A 4.6392 7.9709 119.4290 51.8417 20.4836 176.7206 52 G 4.0033 7.4689 107.5041 45.2308 0.0000 176.2719 53 V 3.7749 8.2018 124.3923 63.0832 31.8353 174.5510 54 K 4.3368 8.7510 128.3442 57.5816 33.6899 176.0433 55 E 4.7282 7.5663 119.9406 54.6266 33.0692 173.6634 56 Y 4.6507 9.2931 125.6554 57.8885 39.8288 174.8792 57 Q 4.8522 9.2322 121.9520 54.3864 32.5737 174.5870 58 V 4.6216 8.7043 126.3470 61.1157 33.0317 175.0117 59 V 4.3298 8.6727 129.8832 62.6405 32.7942 174.6649 60 L 5.1949 9.0312 129.0869 53.6401 45.9993 174.1900 61 E 5.0732 9.5881 125.8643 54.7461 31.9604 174.8710 62 V 4.5063 9.0019 125.1471 60.9876 34.0857 174.2568 63 G 3.1786 8.1994 116.0008 43.9624 0.0000 172.3303 64 F 5.6437 8.3641 118.8358 54.8782 41.8811 173.7702 65 R 4.0373 8.8428 122.2660 56.1250 30.4668 176.0687 66 L 4.3566 8.2605 127.1230 54.5674 42.3860 177.1543 67 E 4.1493 8.8504 122.6655 55.8424 30.0009 176.4440 68 E 3.4355 8.1323 119.3163 58.8882 29.6945 176.0795 *69 T 4.1515 7.7541 116.5338 61.3516 69.2274 176.0428 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 G 8.35 3.93 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 0.00 0.00 0.00 3 K 8.38 3.99 0.00 1.81 1.41 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.50 7.81 4 V 8.61 4.48 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 1.08 0.00 0.00 0.91 0.00 0.00 5 Y 8.88 4.98 0.00 3.02 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 6 K 8.18 4.48 0.00 1.46 0.74 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.16 1.27 7.81 7 K 8.47 4.97 0.00 1.65 1.66 0.00 2.06 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.12 1.35 7.81 8 V 8.64 4.46 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 0.91 0.00 0.00 1.10 0.00 0.00 9 E 8.87 5.03 0.00 2.03 1.86 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 2.23 2.44 0.00 10 L 9.01 4.86 0.00 1.55 1.49 0.87 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.31 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 0.81 0.00 0.00 0.94 0.00 0.00 12 G 8.96 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.16 5.36 4.35 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 1.22 0.00 0.00 14 S 8.77 4.67 0.00 3.90 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 15 E 9.06 4.65 0.00 2.03 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 2.41 2.34 0.00 16 E 8.31 4.20 0.00 1.97 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 2.32 2.32 0.00 17 G 7.14 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.36 3.76 0.00 1.53 1.63 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.04 3.91 0.00 1.98 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 2.38 2.43 0.00 20 A 7.90 3.94 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 21 A 7.75 3.92 1.45 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 22 I 7.68 3.51 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.57 0.39 0.00 0.00 23 Q 8.19 3.90 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 24 A 8.04 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.82 3.89 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 26 L 7.83 3.89 0.00 1.60 1.63 0.57 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.02 3.97 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 28 R 7.91 3.93 0.00 1.93 2.04 0.00 3.11 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 7.96 3.89 1.27 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 0.00 0.00 30 R 8.00 3.96 0.00 1.86 2.14 0.00 3.08 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 31 K 7.62 4.24 0.00 1.91 1.82 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.64 7.81 32 T 7.24 4.41 4.16 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 1.10 0.00 0.00 33 L 7.99 4.47 0.00 1.27 0.78 0.37 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.92 4.50 0.00 1.67 1.47 0.00 3.29 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 35 H 8.45 4.18 0.00 3.65 3.49 0.00 5.62 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.15 4.48 0.00 1.66 1.66 0.85 0.94 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 37 D 9.32 5.21 0.00 3.10 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 38 W 7.88 5.57 0.00 3.25 3.18 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 39 F 8.51 5.46 0.00 3.03 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 40 E 9.32 4.69 0.00 1.98 1.92 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 2.42 2.52 0.00 41 V 8.70 4.17 2.18 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 0.84 0.00 0.00 1.14 0.00 0.00 42 K 9.23 4.49 0.00 1.80 1.87 0.00 1.85 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.56 7.81 43 E 7.86 4.79 0.00 2.02 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 2.29 2.35 0.00 44 I 8.38 4.85 1.92 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 1.39 0.71 1.00 0.00 0.00 45 R 9.58 4.77 0.00 1.68 1.82 0.00 3.41 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 46 G 7.78 4.37 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 0.00 47 T 7.81 4.82 4.20 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 0.00 0.00 0.00 1.18 0.00 0.00 48 I 8.27 4.76 1.84 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 1.22 0.63 0.90 0.00 0.00 49 G 8.82 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 50 E 8.96 3.81 0.00 1.93 1.98 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 2.28 2.30 0.00 51 A 7.97 4.64 1.26 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 0.00 0.00 0.00 0.00 0.00 52 G 7.47 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.20 3.77 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 -0.41 0.00 0.00 0.71 0.00 0.00 54 K 8.75 4.34 0.00 1.79 1.83 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.32 7.81 55 E 7.57 4.73 0.00 2.11 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 56 Y 9.29 4.65 0.00 3.08 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 57 Q 9.23 4.85 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 58 V 8.70 4.62 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 0.94 0.00 0.00 0.95 0.00 0.00 59 V 8.67 4.33 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 0.91 0.00 0.00 0.95 0.00 0.00 60 L 9.03 5.19 0.00 1.90 1.52 1.05 0.68 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 61 E 9.59 5.07 0.00 1.94 1.84 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 2.25 2.25 0.00 62 V 9.00 4.51 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.90 0.00 0.00 63 G 8.20 3.18 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 0.00 64 F 8.36 5.64 0.00 3.34 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 65 R 8.84 4.04 0.00 2.10 1.90 0.00 3.07 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.85 0.00 66 L 8.26 4.36 0.00 1.60 1.55 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.85 4.15 0.00 2.00 1.92 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 2.36 2.44 0.00 68 E 8.13 3.44 0.00 2.04 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 2.23 2.34 0.00 *69 T 7.75 4.15 4.24 0.00 0.00 0.00 0.00 0.00 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 * Residues marked with a * may have inaccurate shift predictions.