NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2663 8.3231 115.4167 59.1297 64.2525 173.1673 2 G 3.6914 8.7202 107.9733 44.5086 0.0000 171.5023 3 G 3.7010 8.7330 107.3896 45.4814 0.0000 171.5225 4 Y 4.8836 7.3135 115.4933 55.2185 41.6242 175.0973 5 F 4.4150 9.0071 124.7446 58.4342 39.8528 175.4072 6 D 4.3517 8.3033 127.6778 52.7756 40.7514 176.1915 7 A 3.4227 7.2333 128.5731 54.1827 18.3077 178.7909 8 H 4.1257 7.7180 113.8999 59.0621 29.0223 177.2334 9 A 4.1292 8.3457 121.5332 55.0432 18.4664 179.1382 10 L 4.1556 7.7336 118.8101 57.9405 42.1442 179.7252 11 A 4.4042 8.0475 119.0254 52.6994 18.2128 178.8797 *13 D 4.6068 8.0306 122.3250 56.2903 43.1732 177.9185 14 Y 4.0267 8.2107 116.8205 60.7037 37.8521 178.3271 15 R 3.9899 8.3664 120.1673 59.5482 30.4215 178.7984 16 S 4.2107 8.0805 113.6553 61.3015 63.0523 176.0299 17 L 4.1946 8.3352 124.2648 57.8984 41.8939 179.1540 18 G 3.7227 8.7255 106.2218 47.7007 0.0000 175.4124 19 F 4.0096 8.2763 122.6666 61.3023 39.4141 177.5725 20 R 4.1862 8.2461 117.0192 59.0185 29.8145 178.8958 21 E 3.9930 8.2411 118.9296 59.2799 29.3214 178.7995 22 C 4.0455 7.8784 118.5209 62.1752 31.5962 175.3006 23 L 3.8259 7.7849 121.8082 58.0799 41.6697 178.8325 24 A 4.0022 8.3043 121.0392 55.2180 18.3525 179.2832 25 E 3.9333 8.3086 117.8571 59.1077 29.6485 179.2225 26 V 3.5629 8.1215 118.6333 65.8891 31.6175 177.9048 27 A 4.0095 7.9954 120.5321 55.1720 18.1899 179.6269 28 R 3.8275 8.1787 117.2851 59.6042 30.1719 178.0443 29 Y 3.9917 8.5971 119.6705 60.7519 38.7470 178.0542 30 L 3.9356 8.1879 119.8852 57.8051 41.5777 179.4734 31 S 4.4243 7.9186 114.2652 61.0030 62.2097 176.2875 32 I 3.6657 7.7751 121.5182 64.4103 37.0887 177.8537 33 I 3.7013 7.1744 118.8788 64.3535 36.9865 177.7048 34 E 3.9321 7.5435 117.0738 56.9048 29.6227 177.2375 35 G 3.8481 7.9009 105.9706 46.0118 0.0000 173.2030 36 L 4.3919 8.0190 121.4242 52.4519 42.2604 176.7299 37 D 4.6736 8.4295 123.3974 52.5543 40.1158 177.0343 38 A 4.0196 8.5550 122.1634 54.6680 18.2737 178.5175 39 S 4.6641 7.8218 108.2673 58.0588 63.5070 174.2703 40 D 4.4419 8.1470 121.7952 53.7258 42.2397 174.3991 41 P 4.2070 0.0000 0.0000 65.8988 31.3640 178.3459 42 L 3.9165 7.9300 117.9925 58.2761 42.0832 178.7268 43 R 3.8747 7.9459 118.6086 59.4453 30.0015 178.5880 44 V 3.5889 8.2482 118.3467 66.0665 31.5163 178.2831 45 R 3.9418 8.1780 117.8795 59.1009 29.9577 178.8648 46 L 3.9431 8.1676 120.3177 58.2065 42.1137 179.1452 47 V 3.6484 8.0065 118.5730 66.0478 31.5002 178.1314 48 S 4.1540 8.2513 114.0855 61.5777 62.7131 175.9803 49 H 4.1814 8.5086 121.9015 59.1679 29.6220 177.3339 50 L 4.1326 8.1480 120.8270 57.8408 41.5329 179.0290 51 N 4.4113 8.5461 117.2755 56.6916 38.8345 176.5135 52 N 4.4506 8.3342 119.9632 55.9709 38.9078 176.2866 53 Y 3.8432 8.3064 121.1343 60.4696 38.6591 177.9829 54 A 3.5401 8.1339 120.8195 55.1606 18.6418 179.5038 55 S 4.1371 7.9428 112.5697 61.5073 62.7301 176.3210 56 Q 3.9099 7.8822 122.5515 58.8673 28.8288 176.5898 57 R 3.9960 7.2454 123.0135 56.5621 30.2352 175.7749 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 S 8.32 4.27 0.00 4.01 3.95 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 0.00 0.00 0.00 2 G 8.72 3.69 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 0.00 0.00 0.00 3 G 8.73 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.31 4.88 0.00 2.97 2.88 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 5 F 9.01 4.42 0.00 2.93 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 6 D 8.30 4.35 0.00 2.69 2.44 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 7 A 7.23 3.42 1.05 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 0.00 0.00 8 H 7.72 4.13 0.00 3.27 3.31 0.00 5.71 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.35 4.13 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 10 L 7.73 4.16 0.00 1.87 1.94 1.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.05 4.40 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 *13 D 8.03 4.61 0.00 2.82 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.21 4.03 0.00 3.38 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 15 R 8.37 3.99 0.00 2.11 1.98 0.00 3.14 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 16 S 8.08 4.21 0.00 4.09 4.11 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 17 L 8.34 4.19 0.00 1.85 1.94 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.73 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.28 4.01 0.00 3.30 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 20 R 8.25 4.19 0.00 2.16 2.04 0.00 3.23 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.97 0.00 21 E 8.24 3.99 0.00 2.23 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 2.36 2.65 0.00 22 C 7.88 4.05 0.00 2.86 2.87 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 23 L 7.78 3.83 0.00 1.88 1.84 1.11 1.25 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 24 A 8.30 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.31 3.93 0.00 2.22 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 0.00 2.29 2.35 0.00 26 V 8.12 3.56 2.23 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 0.96 0.00 0.00 0.92 0.00 0.00 27 A 8.00 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 3.83 0.00 2.08 1.98 0.00 3.12 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 29 Y 8.60 3.99 0.00 3.13 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 30 L 8.19 3.94 0.00 1.91 1.72 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.92 4.42 0.00 3.90 3.97 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 0.00 0.00 0.00 32 I 7.78 3.67 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.90 0.87 0.00 0.00 33 I 7.17 3.70 0.58 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.58 0.66 0.00 0.00 34 E 7.54 3.93 0.00 2.06 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 0.00 1.98 2.30 0.00 35 G 7.90 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 0.00 0.00 0.00 36 L 8.02 4.39 0.00 1.68 1.61 1.00 1.09 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 37 D 8.43 4.67 0.00 2.89 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 38 A 8.55 4.02 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.82 4.66 0.00 4.02 3.95 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 0.00 0.00 0.00 40 D 8.15 4.44 0.00 2.86 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.21 0.00 2.20 2.11 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 42 L 7.93 3.92 0.00 1.76 1.84 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.95 3.87 0.00 1.88 2.05 0.00 3.21 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 44 V 8.25 3.59 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 0.99 0.00 0.00 1.03 0.00 0.00 45 R 8.18 3.94 0.00 2.03 1.98 0.00 3.19 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 46 L 8.17 3.94 0.00 1.75 1.68 0.92 1.20 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 47 V 8.01 3.65 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 1.10 0.00 0.00 0.97 0.00 0.00 48 S 8.25 4.15 0.00 4.14 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 0.00 49 H 8.51 4.18 0.00 3.39 3.61 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.15 4.13 0.00 1.95 1.81 0.86 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.55 4.41 0.00 3.02 2.98 0.00 0.00 6.85 6.49 0.00 0.00 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 N 8.33 4.45 0.00 2.84 3.03 0.00 0.00 6.51 7.11 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 53 Y 8.31 3.84 0.00 3.20 3.20 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 0.00 54 A 8.13 3.54 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.94 4.14 0.00 4.07 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 56 Q 7.88 3.91 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.01 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 57 R 7.25 4.00 0.00 1.48 1.75 0.00 3.21 0.00 0.00 3.07 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 * Residues marked with a * may have inaccurate shift predictions.