NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5458 8.2893 120.3487 55.5751 33.4815 175.8063 2 T 4.1925 8.8000 117.2738 60.7759 71.1974 175.1572 3 K 3.9906 8.6194 126.2102 59.9025 32.1576 180.5404 4 Q 4.1390 8.0071 119.8952 59.1287 29.0319 178.1732 5 E 3.9422 8.0912 119.7050 59.2236 29.5958 179.0704 6 K 3.9423 8.2272 119.7964 59.7869 32.1241 178.9781 7 T 3.8403 8.2315 115.9794 66.5417 68.4242 176.4551 8 A 3.9881 7.9168 122.6165 55.2346 18.4069 179.7401 9 L 3.9761 8.0255 117.3885 58.0256 41.7029 179.4903 10 N 4.3954 8.2742 116.4307 56.6420 38.4162 177.4544 11 M 4.1447 8.4404 120.1359 58.1667 32.0386 178.6283 12 A 4.0127 8.1435 121.0114 55.2295 18.6009 179.6533 13 R 3.8636 8.1762 117.2276 59.4268 30.0955 178.5201 14 F 4.1294 8.4599 120.4483 61.5142 39.4569 177.2466 15 I 3.5729 8.1455 119.5669 64.1231 36.8425 178.4689 16 R 3.8040 8.0188 119.6706 59.3679 29.9778 178.4733 17 S 4.0050 8.0142 112.8546 61.5063 62.3995 176.0404 18 Q 3.8054 7.7516 120.6655 59.2664 28.4190 179.1453 19 T 3.8268 7.7272 116.5597 66.5580 68.4760 176.7270 20 L 3.9742 7.9328 120.8263 58.1645 41.6010 179.8105 21 T 3.8493 7.9187 115.6229 66.3146 68.2691 176.5002 22 L 3.9029 7.9541 122.2489 58.2336 42.1596 179.0007 23 L 3.9503 7.9300 118.7970 57.8503 41.3311 179.2081 24 E 3.9326 7.9571 118.0975 59.1574 29.8599 178.7467 25 K 4.1284 8.2654 118.6840 59.4935 32.1362 179.3890 26 L 4.0315 8.2439 119.5951 57.6369 41.3265 178.6944 27 N 4.4863 7.9430 115.3207 55.5801 38.9069 175.8888 28 E 4.2109 7.9200 118.5713 57.5828 30.0901 176.5724 29 L 4.4824 7.0691 118.5794 53.3517 43.2319 176.7711 30 D 4.6156 9.0241 121.6712 52.4448 41.5178 175.5789 31 P 4.2105 0.0000 0.0000 66.1832 31.4012 178.5549 32 D 4.3325 8.4902 117.3164 57.5203 40.7132 178.7565 33 E 3.9915 8.3206 118.4947 59.4143 29.4521 179.1703 34 Q 3.9660 8.2408 117.8782 58.9786 28.8254 178.8920 35 A 3.9742 8.0146 121.5885 55.2082 18.4180 179.3972 36 D 4.2958 7.9652 116.9251 57.6616 40.9016 179.1038 37 I 3.7248 8.0092 120.4617 64.6289 37.1230 178.2678 38 C 4.1442 8.3394 117.7486 62.7986 28.0550 175.8419 39 E 3.9538 8.2606 120.8807 59.3275 29.2476 178.8670 40 S 4.1240 8.1516 113.2433 61.3563 62.4323 176.1103 41 L 4.0759 8.3993 122.2386 57.9942 41.3578 179.0155 42 H 4.1576 8.4013 118.2799 59.2446 29.8183 176.8288 43 D 4.2926 8.0474 119.6271 57.7575 41.0020 178.0134 44 H 4.2373 8.3535 116.5139 58.6589 28.6587 177.6648 45 A 4.0375 8.1818 122.9014 55.2119 18.0904 179.4672 46 D 4.3775 8.1898 117.5047 57.4331 40.8643 178.8175 47 E 3.9784 8.2217 119.1840 59.4450 29.4841 179.4263 48 L 4.0364 8.1963 119.1288 57.8651 41.6804 178.9169 49 Y 4.2355 8.2470 119.5017 60.9650 38.8273 178.4454 50 R 3.7813 8.3674 119.1560 59.1358 30.2196 179.0153 51 S 4.0526 8.0243 113.1587 61.4228 62.3282 176.0614 52 C 4.0183 7.9644 119.6177 62.6246 27.6542 175.9326 53 L 3.8981 7.4822 119.4529 57.7230 41.2124 179.1649 54 A 4.0438 7.5379 119.6633 55.1836 18.3776 179.6884 55 R 3.6247 7.3245 117.7119 59.2848 30.0344 177.5627 *56 F 4.7163 7.3438 121.0314 56.9386 39.1527 178.3045 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 1 M 8.29 4.55 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 T 8.80 4.19 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 1.26 0.00 0.00 3 K 8.62 3.99 0.00 1.78 1.86 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.06 7.81 4 Q 8.01 4.14 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 5 E 8.09 3.94 0.00 2.23 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 2.33 2.31 0.00 6 K 8.23 3.94 0.00 1.81 1.95 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.49 7.81 7 T 8.23 3.84 4.38 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 1.19 0.00 0.00 8 A 7.92 3.99 1.37 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 9 L 8.03 3.98 0.00 1.88 1.74 0.93 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.27 4.40 0.00 2.96 2.87 0.00 0.00 7.07 6.95 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 11 M 8.44 4.14 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.67 0.00 12 A 8.14 4.01 1.42 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 0.00 0.00 13 R 8.18 3.86 0.00 2.06 2.18 0.00 3.17 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 14 F 8.46 4.13 0.00 3.25 3.23 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 0.00 15 I 8.15 3.57 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.75 0.92 0.00 0.00 16 R 8.02 3.80 0.00 1.88 2.15 0.00 3.09 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 17 S 8.01 4.00 0.00 3.97 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 18 Q 7.75 3.81 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 1.90 1.22 0.00 19 T 7.73 3.83 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 1.18 0.00 0.00 20 L 7.93 3.97 0.00 1.82 1.68 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.92 3.85 4.18 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 1.18 0.00 0.00 22 L 7.95 3.90 0.00 1.77 1.86 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.93 3.95 0.00 1.93 1.69 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 24 E 7.96 3.93 0.00 2.14 2.06 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 2.31 2.34 0.00 25 K 8.27 4.13 0.00 1.97 1.83 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.61 7.81 26 L 8.24 4.03 0.00 1.82 1.71 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 27 N 7.94 4.49 0.00 2.94 2.90 0.00 0.00 7.25 7.67 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 28 E 7.92 4.21 0.00 2.25 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 2.32 2.33 0.00 29 L 7.07 4.48 0.00 1.65 1.79 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 30 D 9.02 4.62 0.00 2.92 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 31 P 0.00 4.21 0.00 2.17 2.17 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 32 D 8.49 4.33 0.00 3.03 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 33 E 8.32 3.99 0.00 2.16 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 2.40 0.00 34 Q 8.24 3.97 0.00 2.27 2.15 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 2.45 2.67 0.00 35 A 8.01 3.97 1.37 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 36 D 7.97 4.30 0.00 2.90 2.73 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 0.00 0.00 0.00 0.00 37 I 8.01 3.72 1.88 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 1.69 0.93 0.92 0.00 0.00 38 C 8.34 4.14 0.00 3.17 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 39 E 8.26 3.95 0.00 2.24 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 2.31 2.37 0.00 40 S 8.15 4.12 0.00 4.07 3.99 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 41 L 8.40 4.08 0.00 1.87 1.73 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 42 H 8.40 4.16 0.00 3.29 3.31 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.05 4.29 0.00 2.98 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.35 4.24 0.00 3.53 3.34 0.00 5.87 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.18 4.04 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 46 D 8.19 4.38 0.00 2.86 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.22 3.98 0.00 2.21 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 2.53 2.48 0.00 48 L 8.20 4.04 0.00 1.95 1.79 1.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.25 4.24 0.00 3.11 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 3.78 0.00 2.01 1.92 0.00 3.18 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 51 S 8.02 4.05 0.00 3.87 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 52 C 7.96 4.02 0.00 3.19 3.11 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 53 L 7.48 3.90 0.00 1.61 1.59 0.68 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.54 4.04 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.32 3.62 0.00 0.90 1.15 0.00 3.31 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.51 0.00 *56 F 7.34 4.72 0.00 2.85 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 * Residues marked with a * may have inaccurate shift predictions.