NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2603 8.4444 116.7586 55.2022 31.9759 175.4103 3 S 3.9986 8.2766 115.1364 58.7314 62.8897 172.9231 4 F 4.0864 9.1351 131.8623 61.4196 39.7417 176.0434 5 L 3.8173 8.1135 119.3628 58.0933 41.8682 178.4110 6 L 3.9743 8.0107 120.4512 58.2524 41.9960 179.1574 7 S 4.6829 7.7492 115.0255 60.8896 63.0054 176.7007 8 K 3.8278 7.5783 121.8685 58.9817 31.7425 179.5107 9 V 3.6828 7.9296 118.8493 66.1630 31.5747 178.3676 10 S 4.2047 8.3675 114.0574 61.1077 62.8563 176.0789 11 F 3.9509 8.2437 124.6097 61.2801 39.0756 177.2919 12 V 3.5946 7.7920 117.4569 65.5650 31.1575 178.0565 13 I 3.7833 7.9165 119.7799 64.3139 36.9846 177.9767 14 K 3.9330 7.9031 121.6085 58.6859 31.8715 178.5532 15 K 3.6843 7.7245 119.4688 59.5620 32.1499 178.8625 16 I 3.6465 7.8001 120.1268 64.1936 37.0166 178.0923 17 R 3.8578 8.1096 119.7936 59.7446 29.7464 178.5018 18 L 3.9706 8.0185 118.4431 57.8231 41.3769 179.2728 19 E 3.9442 8.0688 117.5652 59.2859 29.5332 178.9092 20 K 4.2958 8.4310 115.9461 56.2376 32.3042 177.5438 21 G 3.8660 7.9394 107.5213 46.5539 0.0000 173.4594 22 M 4.6624 7.8611 118.4590 53.7689 33.8561 176.8686 23 T 4.4008 8.9112 113.3725 60.7128 71.8060 176.1020 24 Q 4.0127 8.4429 119.6287 59.1786 28.6483 178.9764 25 E 4.0001 8.1573 119.0798 59.4771 29.5177 178.8899 26 D 4.4472 8.1380 118.8999 57.3152 40.9200 178.7112 27 L 3.9357 8.1338 120.5043 58.0784 42.1454 178.6572 28 A 4.0475 8.3393 121.1299 55.5194 18.2873 179.0589 29 Y 4.0483 8.2151 117.8607 60.8206 38.7111 178.1538 30 K 3.8603 8.2279 118.0299 58.5302 32.2509 178.5754 31 S 4.4529 7.9271 113.5091 57.4865 63.4140 173.8535 32 N 4.1699 7.4485 117.1301 54.2771 36.2891 173.7949 33 L 4.7380 7.5855 116.3729 52.5751 44.9900 176.4351 34 D 4.6148 8.2851 118.6985 53.7237 43.0977 176.6684 35 R 3.9744 8.7497 125.9580 60.0815 30.1591 179.3416 36 T 3.8736 8.1213 108.5573 64.9136 68.5578 175.6568 37 Y 4.1041 7.9899 121.8765 60.4633 38.9428 177.6723 38 I 3.5945 7.7692 120.4972 64.4124 37.1830 177.9601 39 S 4.2373 8.2955 114.3642 61.7458 62.2182 176.7045 40 G 3.5450 8.4200 108.3485 47.8171 0.0000 175.6330 41 I 3.5737 7.6012 122.2883 64.2190 37.1897 178.3564 42 E 4.0542 8.1811 119.0635 58.4176 29.0042 178.0196 43 R 4.3229 7.3730 117.1801 54.8381 31.7940 176.1580 44 N 4.1623 7.6506 113.2073 54.5444 36.4570 174.9635 45 S 4.4397 8.1966 111.4316 58.6542 66.3722 175.5389 46 R 4.6127 7.7344 116.8934 54.3903 32.1370 174.8467 47 N 4.8808 8.3872 118.1297 52.0814 40.8093 174.0507 48 L 4.9719 8.3187 122.3220 51.5951 44.9837 176.9334 49 T 4.3634 8.4431 116.5209 61.0218 71.2808 175.6494 50 I 3.7472 8.1929 121.9809 64.5277 37.1117 178.7715 51 K 3.9457 8.0483 118.7915 59.6597 31.8294 179.3908 52 S 4.1527 8.2263 115.3791 61.3851 62.7480 176.4173 53 L 3.8435 8.0138 123.0901 58.0952 41.8315 178.6482 54 E 3.8504 8.3166 119.2764 59.2695 29.5737 178.7670 55 L 3.9776 7.8940 119.0018 57.8519 41.5726 179.6106 56 I 3.7023 7.9574 120.0618 64.6798 37.0243 178.4467 57 M 3.9102 8.3464 119.9376 58.0196 31.7965 178.7744 58 K 4.0029 8.1593 120.0928 59.4451 32.1727 179.1831 59 G 3.6133 7.9544 104.9442 47.6140 0.0000 175.0968 60 L 4.1641 8.1705 119.2954 54.3762 42.6425 176.4287 61 E 3.8024 7.7935 117.5769 57.7019 27.3978 174.6439 62 V 4.5244 7.5808 116.2596 59.3839 34.6639 176.5675 63 S 4.4755 8.3007 116.5646 57.7789 65.3849 174.7773 64 D 4.4047 8.6989 123.0801 57.9239 40.6580 179.3173 65 V 3.7416 7.9288 117.6553 66.2072 31.5975 177.6581 66 V 3.5863 7.6949 117.3620 66.1637 31.3128 177.5264 67 F 3.8499 8.2565 119.9153 61.6190 39.1787 177.2527 68 F 4.4076 8.2989 117.0846 60.3177 38.7042 177.3752 69 E 3.9964 8.8481 119.7613 59.6068 29.4554 178.8284 70 M 4.0551 8.1146 118.7604 57.9249 31.8754 178.5049 71 L 3.8167 7.6923 120.6542 58.1139 42.2912 179.0793 72 I 3.7074 7.9091 119.7419 64.2791 36.8541 178.0896 73 K 3.8346 7.6784 118.9817 59.6720 32.1541 178.0288 74 E 4.0011 8.1181 119.2708 59.4188 29.3916 178.8374 75 I 3.8530 7.9367 118.9814 64.1255 37.2959 177.5843 76 L 4.4278 8.1560 120.2453 55.9583 41.1504 178.4592 77 K 4.5861 7.6456 122.1741 54.9627 32.0088 181.8841 *78 H 5.0424 8.0009 121.1753 54.7775 28.7156 177.6027 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 E 8.44 4.26 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.88 0.00 3 S 8.28 4.00 0.00 4.00 3.85 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 0.00 0.00 0.00 4 F 9.14 4.09 0.00 3.11 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 5 L 8.11 3.82 0.00 1.87 1.71 1.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.01 3.97 0.00 1.83 1.82 0.93 0.76 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 7 S 7.75 4.68 0.00 4.05 4.10 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 8 K 7.58 3.83 0.00 1.69 1.73 0.00 1.40 0.00 0.00 1.21 0.00 0.00 2.39 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.70 1.02 7.81 9 V 7.93 3.68 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 1.09 0.00 0.00 10 S 8.37 4.20 0.00 4.19 4.10 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 11 F 8.24 3.95 0.00 3.30 3.24 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 0.00 12 V 7.79 3.59 1.91 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 0.30 0.00 0.00 0.92 0.00 0.00 13 I 7.92 3.78 2.05 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 1.53 0.84 0.91 0.00 0.00 14 K 7.90 3.93 0.00 1.80 1.67 0.00 1.57 0.00 0.00 1.49 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.38 7.81 15 K 7.72 3.68 0.00 1.50 1.74 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.34 7.81 16 I 7.80 3.65 1.90 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 0.37 0.93 0.00 0.00 17 R 8.11 3.86 0.00 1.91 2.10 0.00 3.25 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 18 L 8.02 3.97 0.00 1.79 1.65 0.84 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.07 3.94 0.00 2.14 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 2.33 2.32 0.00 20 K 8.43 4.30 0.00 1.67 1.85 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.65 1.74 7.81 21 G 7.94 3.87 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 0.00 0.00 0.00 22 M 7.86 4.66 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 23 T 8.91 4.40 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 1.24 0.00 0.00 24 Q 8.44 4.01 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 25 E 8.16 4.00 0.00 2.05 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 2.40 2.47 0.00 26 D 8.14 4.45 0.00 2.97 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 27 L 8.13 3.94 0.00 1.78 1.82 0.92 0.90 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 28 A 8.34 4.05 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 0.00 0.00 0.00 0.00 0.00 29 Y 8.22 4.05 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 30 K 8.23 3.86 0.00 1.97 1.82 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.72 1.66 7.81 31 S 7.93 4.45 0.00 3.89 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 N 7.45 4.17 0.00 2.96 2.86 0.00 0.00 6.79 7.73 0.00 0.00 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 L 7.59 4.74 0.00 1.69 1.69 1.09 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.29 4.61 0.00 2.72 2.60 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 35 R 8.75 3.97 0.00 1.92 2.02 0.00 3.20 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.75 0.00 36 T 8.12 3.87 4.29 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 1.24 0.00 0.00 37 Y 7.99 4.10 0.00 3.06 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 38 I 7.77 3.59 2.03 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 1.68 0.82 0.90 0.00 0.00 39 S 8.30 4.24 0.00 3.96 4.06 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.42 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.60 3.57 1.78 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.18 0.81 0.00 0.00 42 E 8.18 4.05 0.00 1.99 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 2.28 2.42 0.00 43 R 7.37 4.32 0.00 1.94 1.88 0.00 3.40 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 44 N 7.65 4.16 0.00 2.82 2.76 0.00 0.00 6.78 7.10 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 45 S 8.20 4.44 0.00 3.82 3.84 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 0.00 0.00 0.00 46 R 7.73 4.61 0.00 1.62 1.87 0.00 3.39 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 1.50 1.33 0.00 47 N 8.39 4.88 0.00 2.70 2.75 0.00 0.00 6.70 7.78 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 48 L 8.32 4.97 0.00 1.56 1.50 1.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.44 4.36 4.26 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 1.24 0.00 0.00 50 I 8.19 3.75 1.89 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.85 0.95 0.00 0.00 51 K 8.05 3.95 0.00 1.79 1.85 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.54 7.81 52 S 8.23 4.15 0.00 4.13 4.10 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 53 L 8.01 3.84 0.00 1.84 1.83 0.52 0.65 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 54 E 8.32 3.85 0.00 2.18 2.04 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 2.28 2.32 0.00 55 L 7.89 3.98 0.00 1.94 1.68 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.96 3.70 1.93 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.89 0.87 0.00 0.00 57 M 8.35 3.91 0.00 1.83 1.91 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.80 0.00 58 K 8.16 4.00 0.00 1.92 1.94 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.42 7.81 59 G 7.95 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.17 4.16 0.00 1.76 1.74 0.97 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.79 3.80 0.00 2.13 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 2.24 2.31 0.00 62 V 7.58 4.52 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 0.80 0.00 0.00 0.99 0.00 0.00 63 S 8.30 4.48 0.00 4.10 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 0.00 64 D 8.70 4.40 0.00 2.87 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 3.74 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 1.03 0.00 0.00 1.01 0.00 0.00 66 V 7.69 3.59 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 0.95 0.00 0.00 0.96 0.00 0.00 67 F 8.26 3.85 0.00 3.02 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 68 F 8.30 4.41 0.00 3.26 3.13 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 0.00 69 E 8.85 4.00 0.00 2.25 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 2.33 2.40 0.00 70 M 8.11 4.06 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.48 0.00 71 L 7.69 3.82 0.00 1.63 1.92 0.89 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 72 I 7.91 3.71 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.68 0.94 0.00 0.00 73 K 7.68 3.83 0.00 1.96 1.93 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.46 7.81 74 E 8.12 4.00 0.00 2.30 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 2.31 2.09 0.00 75 I 7.94 3.85 2.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.71 1.07 0.00 0.00 76 L 8.16 4.43 0.00 1.86 1.69 0.93 0.71 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 77 K 7.65 4.59 0.00 1.74 1.66 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.31 1.23 7.81 *78 H 8.00 5.04 0.00 2.88 2.81 0.00 7.10 0.00 0.00 0.00 0.00 6.91 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.