NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4641 8.3349 115.4144 58.4049 63.2559 173.1629 1 E 4.1273 8.6080 125.2987 56.0380 30.2175 175.6342 2 Q 4.2936 7.9321 120.6615 56.6264 30.6971 175.2297 3 T 4.5984 9.0385 113.9709 62.4268 71.9388 172.9579 4 H 5.3127 8.0310 117.2602 54.5851 34.2868 171.9701 5 R 5.0761 8.9003 118.1616 54.9701 33.6901 174.1106 6 A 4.5922 8.9257 128.8510 52.0931 19.1199 177.6714 7 I 4.2003 8.6452 114.3623 60.4586 39.2474 175.6314 8 F 5.2005 7.5953 120.1255 55.3241 42.7630 174.5445 9 R 4.3503 8.8983 122.4786 56.5255 30.9718 175.4326 10 F 4.9640 9.4744 128.3822 56.6251 42.3669 173.5537 11 V 4.2691 7.9859 127.0403 60.3930 32.1309 173.9588 12 P 4.1841 0.0000 0.0000 62.7503 31.8391 176.4048 13 R 4.3935 8.9928 119.4125 56.4529 32.4841 176.1344 14 H 4.9945 8.0358 113.8066 53.5148 31.1240 175.1347 15 E 3.9629 8.8261 123.0244 59.3852 29.6854 177.8126 16 D 4.5757 8.0346 116.4518 54.6688 40.1212 175.6814 17 E 5.0248 7.7870 120.1214 56.2872 30.6198 175.7569 18 L 4.7192 8.9976 125.5266 53.4657 43.3092 175.8458 19 E 4.4455 8.9309 127.8332 56.3060 30.6062 175.6819 20 L 4.9425 9.0532 125.2837 53.0222 46.0164 175.2837 21 E 4.9860 9.2376 121.8838 53.9445 33.0942 175.9123 22 V 3.6511 8.3573 121.9983 65.0397 31.7653 175.6533 23 D 4.6693 9.1062 125.6402 54.1170 40.7356 173.5557 24 D 4.6179 7.9397 118.9194 54.0659 41.8033 173.9099 25 P 4.8227 0.0000 0.0000 62.7106 32.2932 175.5723 26 L 5.0885 9.1379 123.0003 52.8158 46.0857 175.4945 27 L 4.8373 8.8757 123.8720 53.3764 44.0990 175.3273 28 V 4.3000 8.6736 127.9810 62.0617 31.1821 175.5349 29 E 4.2999 9.0000 127.4342 58.2123 30.8463 176.8544 30 L 4.3183 7.5683 121.9813 54.0599 45.7181 174.8105 31 Q 4.1643 8.4814 125.9801 53.4322 28.2723 174.9928 32 A 4.1435 8.3630 125.2312 51.9315 19.1885 179.0805 33 E 3.8660 8.6211 119.5543 58.7672 29.7092 177.7255 34 D 4.8507 8.0275 116.9910 53.1542 39.7877 175.7230 35 Y 3.5560 7.5996 115.3244 59.4115 36.0326 168.6239 36 W 4.9449 8.2718 118.2421 55.1374 32.7092 174.2884 37 Y 5.1054 8.5982 121.4156 56.5878 39.9951 174.4691 38 E 5.1097 9.0714 122.8056 54.8081 32.2922 175.1484 39 A 5.2101 9.2195 126.0361 51.1135 23.7418 173.2099 40 Y 5.1215 9.0012 118.7726 56.2579 41.7602 175.5606 41 N 4.5825 8.8880 126.1627 52.7767 41.2086 175.1791 *43 R 4.1601 8.5406 118.5622 56.4933 31.4180 176.6012 44 T 4.0661 8.0148 105.3863 61.6996 69.3215 174.7045 45 G 3.7400 8.1778 110.2461 46.1343 0.0000 173.0417 46 A 4.9254 7.4021 119.2294 49.6627 22.6300 176.1497 47 R 5.1284 8.9849 118.6474 54.2427 33.5017 175.3073 48 G 4.1261 7.7840 109.4853 46.9320 0.0000 171.4101 49 V 5.3671 8.1094 112.6403 59.8713 35.1560 175.2919 50 F 5.0872 8.5235 116.5240 54.8715 41.9121 171.9479 51 P 3.5277 0.0000 0.0000 62.2484 31.6817 177.0469 52 A 2.5800 8.2255 127.3031 55.2722 18.0807 178.8521 53 Y 4.3415 7.5647 108.8903 59.6562 38.0606 176.1840 54 Y 4.2855 8.4705 117.8395 58.5866 38.3605 174.5335 55 A 5.2833 7.7363 121.2849 50.1105 22.8041 175.3653 56 I 4.7613 8.5724 112.1614 58.9172 41.3744 174.6152 57 E 4.5444 8.7490 122.2492 56.3202 30.2343 176.7741 58 V 4.3613 8.1368 116.3092 60.3437 33.8871 175.5692 59 T 4.5882 8.0923 118.4892 61.4439 71.0271 174.7289 60 K 4.1622 8.6414 123.8992 56.8151 32.0470 176.8587 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 0 S 8.33 4.46 0.00 4.00 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 1 E 8.61 4.13 0.00 2.09 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 2.27 2.31 0.00 2 Q 7.93 4.29 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.87 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 3 T 9.04 4.60 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 1.26 0.00 0.00 4 H 8.03 5.31 0.00 3.22 3.43 0.00 5.80 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.90 5.08 0.00 1.85 1.70 0.00 3.34 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 6 A 8.93 4.59 1.19 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 0.00 0.00 7 I 8.65 4.20 1.24 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 -0.36 0.69 0.00 0.00 8 F 7.60 5.20 0.00 2.33 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.90 4.35 0.00 1.90 1.96 0.00 3.51 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 10 F 9.47 4.96 0.00 3.01 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 11 V 7.99 4.27 1.94 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 0.75 0.00 0.00 0.89 0.00 0.00 12 P 0.00 4.18 0.00 2.00 1.94 0.00 3.52 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 13 R 8.99 4.39 0.00 1.55 1.71 0.00 3.12 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.46 0.00 14 H 8.04 4.99 0.00 3.40 3.20 0.00 5.82 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.83 3.96 0.00 1.92 1.99 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 2.30 2.38 0.00 16 D 8.03 4.58 0.00 2.91 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 17 E 7.79 5.02 0.00 2.13 2.38 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 2.97 2.47 0.00 18 L 9.00 4.72 0.00 1.88 1.96 1.05 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.93 4.45 0.00 2.01 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 2.29 2.53 0.00 20 L 9.05 4.94 0.00 1.71 1.46 0.13 0.42 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 21 E 9.24 4.99 0.00 2.21 1.81 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 2.23 2.22 0.00 22 V 8.36 3.65 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 0.73 0.00 0.00 1.03 0.00 0.00 23 D 9.11 4.67 0.00 2.79 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.94 4.62 0.00 2.67 2.54 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 25 P 0.00 4.82 0.00 2.10 2.06 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 26 L 9.14 5.09 0.00 1.70 1.72 0.87 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.88 4.84 0.00 1.88 1.75 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.67 4.30 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 0.38 0.00 0.00 0.85 0.00 0.00 29 E 9.00 4.30 0.00 2.00 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 2.44 2.22 0.00 30 L 7.57 4.32 0.00 1.69 1.44 0.86 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.48 4.16 0.00 1.90 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 1.16 1.82 0.00 32 A 8.36 4.14 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.62 3.87 0.00 1.92 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 2.26 2.20 0.00 34 D 8.03 4.85 0.00 3.00 2.84 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 35 Y 7.60 3.56 0.00 3.30 3.07 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 0.00 0.00 0.00 0.00 36 W 8.27 4.94 0.00 3.31 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 37 Y 8.60 5.11 0.00 1.43 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 0.00 0.00 0.00 0.00 38 E 9.07 5.11 0.00 1.83 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 2.22 2.21 0.00 39 A 9.22 5.21 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.00 5.12 0.00 3.08 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 41 N 8.89 4.58 0.00 2.71 2.50 0.00 0.00 6.42 8.11 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 *43 R 8.54 4.16 0.00 1.81 2.10 0.00 3.27 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 44 T 8.01 4.07 4.21 0.00 0.00 0.00 0.00 0.00 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 45 G 8.18 3.74 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 0.00 0.00 0.00 46 A 7.40 4.93 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.98 5.13 0.00 1.99 1.88 0.00 3.45 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.86 0.00 48 G 7.78 4.13 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 0.00 0.00 0.00 49 V 8.11 5.37 2.27 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 0.72 0.00 0.00 0.97 0.00 0.00 50 F 8.52 5.09 0.00 2.38 3.09 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 51 P 0.00 3.53 0.00 1.71 1.48 0.00 2.20 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.86 0.00 52 A 8.23 2.58 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.56 4.34 0.00 3.07 3.09 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 54 Y 8.47 4.29 0.00 3.17 2.84 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 55 A 7.74 5.28 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 56 I 8.57 4.76 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.93 0.86 0.00 0.00 57 E 8.75 4.54 0.00 1.85 1.81 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 2.19 2.38 0.00 58 V 8.14 4.36 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 0.66 0.00 0.00 0.96 0.00 0.00 59 T 8.09 4.59 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 1.21 0.00 0.00 60 K 8.64 4.16 0.00 1.74 1.72 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.37 7.81 * Residues marked with a * may have inaccurate shift predictions.