NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 S 4.4263 8.1933 115.4036 58.3060 65.4314 175.5458 -4 H 4.2492 7.9083 118.3629 58.0253 28.6535 176.0510 -3 T 3.9143 8.0341 117.6300 66.3869 68.7576 175.9325 -2 L 3.9468 7.9089 121.8108 58.0858 42.0727 179.1426 -1 K 3.9385 7.9578 117.8419 59.7999 32.1008 178.9307 0 T 3.8401 7.9578 113.1378 65.4973 67.0929 175.7044 1 A 4.0735 8.2959 122.3777 55.2228 18.5001 179.2612 2 N 4.2944 8.5900 115.5061 56.5748 38.5740 177.2052 3 S 4.0527 8.7843 114.7475 61.7324 62.4897 175.3266 4 Y 4.1556 8.1515 121.8427 61.2981 38.3603 178.7298 5 T 3.7524 8.0861 116.2797 66.6876 68.6196 176.2162 6 D 4.3376 8.0552 120.9851 57.4201 40.8856 179.4495 7 V 3.6127 7.5062 119.0194 65.1496 31.5656 178.6541 8 T 3.7800 7.5336 116.5519 65.8751 68.1552 177.0854 9 V 3.5135 7.9117 120.5871 66.0439 31.5115 178.1592 10 S 4.1251 8.0446 114.8742 61.8797 62.6839 176.5865 11 N 4.3881 8.2204 119.0392 55.9548 38.1894 177.5178 12 S 4.0418 8.2382 114.8717 61.6460 62.6467 176.1755 13 T 3.8359 8.2208 118.7704 66.6818 68.1540 176.3547 14 K 3.8646 7.7559 119.7987 59.6074 32.0438 179.2891 15 K 3.9058 8.1335 119.3163 59.3104 32.1170 178.5055 16 A 3.9720 8.3256 121.5357 55.4638 18.1587 179.7865 17 I 3.6656 7.7047 117.7078 64.3107 37.2315 178.1581 18 R 3.8872 8.1427 119.7863 60.0616 29.7406 178.3581 19 E 4.0260 8.5437 118.1107 59.3132 29.5913 179.5732 20 S 4.1514 8.2560 115.3010 61.8648 62.8949 176.5952 21 N 4.4200 8.5372 119.4371 56.1579 38.1843 177.3477 22 Q 3.9282 8.1129 121.1074 59.2744 29.1110 177.3921 23 Y 4.1336 8.2939 120.7781 61.2631 38.5180 178.4304 24 T 3.8309 7.6709 115.0445 66.7987 68.9789 176.0294 25 D 4.3996 8.3197 120.9520 57.3607 40.5561 178.2863 26 H 4.1130 7.7904 117.7845 59.0131 30.0004 178.8516 27 K 4.1081 7.1918 117.6304 56.1582 31.4978 177.9420 24 H 4.2109 7.9409 119.6445 59.9987 28.1789 175.4294 25 Q 4.0996 8.2997 120.3520 58.8607 28.8561 177.9863 26 L 3.7230 7.5304 121.3845 59.1131 43.4004 182.3516 27 E 4.1381 7.3218 117.4304 56.5582 28.2978 177.9420 33 N 4.3543 8.2309 116.6762 57.1191 38.8502 176.6015 34 R 3.9204 7.9836 118.3862 59.4862 30.1535 178.9643 35 L 4.0895 7.8577 118.0465 57.8441 41.5730 179.1009 36 D 4.3803 8.0575 118.4413 57.1597 40.8259 178.8832 37 K 3.9425 7.8923 118.9868 59.0887 32.1318 178.7567 38 L 3.8735 8.2326 121.2313 58.5182 41.8194 178.8698 39 E 3.8810 8.5413 119.1628 59.0638 29.6222 178.3376 40 K 3.8181 8.2660 119.9506 59.8970 32.1346 178.9090 41 R 3.9459 7.9624 117.9553 58.9201 29.9048 178.6294 42 L 3.9219 8.1565 120.4314 58.1798 42.0800 178.7889 43 L 3.9513 8.0751 119.0191 57.8583 41.6081 179.5264 44 K 3.8653 8.0772 119.0982 59.3919 32.1528 178.2495 45 L 3.9313 7.9850 120.6087 58.3297 41.9278 178.9050 46 L 3.9431 8.2984 118.7616 57.9052 41.4753 179.2180 47 A 4.0215 8.4680 121.2108 55.4000 18.1497 179.8223 48 S 4.1447 8.2340 112.8110 61.3622 63.3394 176.8722 49 S 4.0822 8.3481 117.7219 61.1067 62.1653 176.4015 50 A 4.0029 8.1241 124.3495 54.7188 17.8862 179.5456 51 A 3.9448 7.7064 119.5462 55.3906 18.4636 179.8424 52 L 3.9467 8.1505 117.6905 57.8871 41.3870 179.5646 53 N 4.3250 8.0310 115.9488 56.4438 38.6251 177.3619 54 S 4.3331 7.6950 115.9010 61.7165 63.1554 176.9675 55 L 4.2150 7.5660 127.7668 59.9095 40.9314 181.2065 *56 F 4.5861 8.0582 125.0507 58.8481 38.1617 176.7639 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 -5 S 8.19 4.43 0.00 3.94 4.12 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 0.00 0.00 0.00 0.00 -4 H 7.91 4.25 0.00 3.33 3.39 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 T 8.03 3.91 4.25 0.00 0.00 0.00 0.00 0.00 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 -2 L 7.91 3.95 0.00 1.70 1.66 0.92 0.70 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 -1 K 7.96 3.94 0.00 1.97 1.85 0.00 1.92 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.44 7.81 0 T 7.96 3.84 4.39 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 1.29 0.00 0.00 1 A 8.30 4.07 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 2 N 8.59 4.29 0.00 2.93 2.90 0.00 0.00 6.67 7.12 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 3 S 8.78 4.05 0.00 3.87 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 0.00 4 Y 8.15 4.16 0.00 3.19 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 5 T 8.09 3.75 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 1.20 0.00 0.00 6 D 8.06 4.34 0.00 2.91 2.70 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 7 V 7.51 3.61 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 0.71 0.00 0.00 0.90 0.00 0.00 8 T 7.53 3.78 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 1.08 0.00 0.00 9 V 7.91 3.51 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 1.02 0.00 0.00 0.96 0.00 0.00 10 S 8.04 4.13 0.00 4.07 3.88 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 11 N 8.22 4.39 0.00 2.82 2.83 0.00 0.00 6.67 7.24 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 12 S 8.24 4.04 0.00 3.84 4.01 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 0.00 0.00 0.00 13 T 8.22 3.84 4.22 0.00 0.00 0.00 0.00 0.00 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 14 K 7.76 3.86 0.00 1.93 1.87 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.71 7.81 15 K 8.13 3.91 0.00 1.88 1.96 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.51 7.81 16 A 8.33 3.97 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.70 3.67 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.69 0.91 0.00 0.00 18 R 8.14 3.89 0.00 2.06 2.02 0.00 3.09 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 19 E 8.54 4.03 0.00 2.04 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 2.33 2.59 0.00 20 S 8.26 4.15 0.00 3.97 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 21 N 8.54 4.42 0.00 2.87 2.88 0.00 0.00 6.72 8.05 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 22 Q 8.11 3.93 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 23 Y 8.29 4.13 0.00 3.08 3.10 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 24 T 7.67 3.83 4.48 0.00 0.00 0.00 0.00 0.00 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 25 D 8.32 4.40 0.00 2.81 2.61 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 26 H 7.79 4.11 0.00 3.02 3.41 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.19 4.11 0.00 1.72 1.66 0.00 1.63 0.00 0.00 1.43 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.78 1.14 7.81 24 H 7.94 4.21 0.00 3.36 3.08 0.00 7.99 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.30 4.10 0.00 2.21 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 26 L 7.53 3.72 0.00 1.35 1.87 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.32 4.14 0.00 1.94 1.87 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 1.65 2.01 0.00 33 N 8.23 4.35 0.00 2.89 3.01 0.00 0.00 7.17 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.98 3.92 0.00 2.02 1.96 0.00 3.17 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 35 L 7.86 4.09 0.00 1.83 1.71 0.91 1.09 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 36 D 8.06 4.38 0.00 2.82 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 37 K 7.89 3.94 0.00 1.89 1.84 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.43 7.81 38 L 8.23 3.87 0.00 1.75 1.83 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.54 3.88 0.00 2.10 2.05 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 2.30 2.31 0.00 40 K 8.27 3.82 0.00 1.93 1.93 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.50 7.81 41 R 7.96 3.95 0.00 2.08 1.96 0.00 3.19 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 42 L 8.16 3.92 0.00 1.74 1.84 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.08 3.95 0.00 1.91 1.72 0.92 1.03 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 44 K 8.08 3.87 0.00 1.93 1.97 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 45 L 7.99 3.93 0.00 1.91 1.82 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.30 3.94 0.00 1.90 1.70 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.47 4.02 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 48 S 8.23 4.14 0.00 4.07 4.12 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 0.00 0.00 0.00 0.00 49 S 8.35 4.08 0.00 4.07 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 0.00 50 A 8.12 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 51 A 7.71 3.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.15 3.95 0.00 1.83 1.73 0.92 0.81 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 53 N 8.03 4.33 0.00 2.89 2.88 0.00 0.00 7.07 6.86 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 54 S 7.70 4.33 0.00 4.05 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 55 L 7.57 4.21 0.00 1.75 1.62 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 *56 F 8.06 4.59 0.00 2.37 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.