NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 S 4.4924 8.3349 116.7953 57.8805 64.9637 175.1182 24 D 4.6291 7.6097 116.3703 51.2428 43.5190 173.9529 25 P 4.2687 0.0000 0.0000 65.4677 32.6625 177.6143 26 L 3.9007 7.9043 118.3631 58.0571 42.1114 178.6871 27 A 3.9689 7.9327 120.1538 55.3250 18.3683 179.5986 28 V 3.5662 7.8953 116.4692 66.0467 31.5257 178.0693 29 A 3.9733 8.4443 120.8361 54.9007 18.1470 179.5367 30 A 3.9364 7.9559 119.4519 55.2228 18.5036 179.8687 31 S 3.9786 8.0908 111.6362 61.6191 62.5545 176.1797 32 I 3.6932 7.9128 121.4857 64.1723 37.6951 177.6786 33 I 3.8811 8.0704 119.5468 63.5141 37.7607 178.2632 34 G 3.5872 8.0514 107.2627 47.7289 0.0000 175.8154 35 I 3.7677 7.8320 116.4795 63.4976 37.5862 177.9114 36 L 3.9707 8.1363 122.3703 57.9418 41.8766 178.5190 37 H 4.2573 8.4910 118.2106 59.1794 29.9311 176.9750 38 L 4.0003 8.0149 121.9602 58.3615 41.9918 178.9841 39 I 3.7164 7.9131 119.7183 64.3310 36.9754 178.1506 40 L 3.9822 8.1430 121.1971 58.0588 41.8580 178.5511 41 W 4.4053 8.3982 128.3994 60.3137 30.6401 177.4727 42 I 2.5951 7.6242 118.1551 63.7437 37.2357 177.6012 43 L 3.8487 7.5762 119.3777 58.3846 42.0234 177.8346 44 D 4.4780 7.9402 116.5346 57.5251 41.0328 178.3357 45 R 3.8928 7.2701 117.9942 57.9599 30.3914 176.3093 46 L 4.5957 7.1325 117.7331 53.5284 43.0081 174.5463 47 F 4.8515 8.4352 126.1519 58.3567 46.9211 172.8328 48 F 4.7080 8.2080 124.5047 58.6001 45.4174 175.2732 49 K 4.6503 7.9565 116.0390 55.9008 34.7619 177.9026 50 S 4.2202 8.8052 115.9067 61.7777 62.1843 175.9926 51 I 3.8607 7.9940 121.7603 64.9980 36.9453 177.6806 52 Y 4.3297 8.1050 119.4357 60.3974 38.7027 177.7581 53 R 4.1732 8.6850 121.6188 58.7829 30.1845 179.0219 54 F 4.2882 8.5835 117.9580 60.4061 38.8051 177.6758 55 F 4.1685 8.5794 120.6999 61.1807 39.1824 177.0343 56 E 3.7215 8.1923 117.3571 59.2359 29.2854 178.4288 57 H 4.1184 8.0020 118.4788 59.1452 30.0623 177.3476 58 G 3.5986 7.9858 105.9126 46.7023 0.0000 174.4270 59 L 4.1107 6.9991 126.4122 54.3716 39.2583 177.1903 *60 K 4.0333 7.4365 124.6130 54.9289 32.4252 177.5329 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 23 S 8.33 4.49 0.00 3.88 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 24 D 7.61 4.63 0.00 2.74 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 4.27 0.00 2.15 2.12 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 26 L 7.90 3.90 0.00 1.75 1.66 0.92 1.11 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 27 A 7.93 3.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.90 3.57 2.24 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 1.17 0.00 0.00 0.99 0.00 0.00 29 A 8.44 3.97 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 30 A 7.96 3.94 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 31 S 8.09 3.98 0.00 3.93 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 32 I 7.91 3.69 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 1.42 1.20 0.99 0.00 0.00 33 I 8.07 3.88 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.42 0.97 0.00 0.00 34 G 8.05 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.83 3.77 1.90 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 1.66 0.81 0.99 0.00 0.00 36 L 8.14 3.97 0.00 1.94 1.87 0.95 0.84 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 37 H 8.49 4.26 0.00 3.40 3.49 0.00 5.84 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 38 L 8.01 4.00 0.00 1.86 1.70 1.06 0.96 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 39 I 7.91 3.72 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.31 0.93 0.00 0.00 40 L 8.14 3.98 0.00 1.88 1.94 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 41 W 8.40 4.41 0.00 3.35 3.25 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 0.00 42 I 7.62 2.60 1.70 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 1.21 0.90 0.90 0.00 0.00 43 L 7.58 3.85 0.00 1.83 1.69 0.97 1.31 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 44 D 7.94 4.48 0.00 2.82 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 45 R 7.27 3.89 0.00 0.69 1.53 0.00 2.89 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 46 L 7.13 4.60 0.00 1.65 1.55 0.84 0.54 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 47 F 8.44 4.85 0.00 3.02 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 48 F 8.21 4.71 0.00 2.85 3.29 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 0.00 49 K 7.96 4.65 0.00 2.01 1.87 0.00 1.91 0.00 0.00 1.80 0.00 0.00 2.71 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.21 0.93 7.81 50 S 8.81 4.22 0.00 4.07 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 0.00 51 I 7.99 3.86 1.97 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 1.59 0.95 0.98 0.00 0.00 52 Y 8.11 4.33 0.00 3.07 3.04 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 0.00 0.00 0.00 53 R 8.68 4.17 0.00 1.70 1.57 0.00 3.25 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.64 0.00 54 F 8.58 4.29 0.00 3.27 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 55 F 8.58 4.17 0.00 3.29 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 56 E 8.19 3.72 0.00 1.97 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 2.12 2.07 0.00 57 H 8.00 4.12 0.00 3.11 3.40 0.00 5.95 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 58 G 7.99 3.60 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 0.00 0.00 0.00 59 L 7.00 4.11 0.00 1.01 1.23 0.72 0.83 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 *60 K 7.44 4.03 0.00 1.50 1.56 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.