NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.3138 8.0433 122.7538 54.9416 44.3629 175.0872 10 L 4.9142 8.3167 120.7819 51.5446 43.8066 174.7150 11 L 4.9464 8.3478 124.3280 52.6345 45.6351 175.1452 12 E 4.9071 8.8351 120.8966 54.9538 31.8729 175.0191 13 C 4.8453 8.5440 119.2913 58.4955 30.5364 172.1885 14 T 4.9901 8.2055 117.0637 58.8277 69.7410 171.9835 15 E 3.7626 8.2180 129.7152 56.4717 30.7941 175.3577 16 C 4.0850 8.5416 125.7154 64.2930 27.8672 173.2846 17 K 4.2489 8.8515 124.4764 55.7600 31.4850 176.0449 18 R 4.4747 7.6040 113.5688 56.9342 33.8601 172.8264 19 R 4.3321 8.2132 119.7969 54.8101 27.9143 179.4526 20 N 3.7792 9.2220 114.1022 54.8121 38.6445 171.0702 21 Y 5.5054 8.2312 115.3627 58.4866 41.8463 174.0901 22 A 4.3739 8.3097 119.2075 50.9776 21.7783 174.5630 23 T 3.3398 8.1716 105.8899 62.2445 68.1183 170.6451 24 E 4.6787 9.3780 132.8503 55.5567 33.9273 177.3770 25 K 5.0518 8.4918 125.7541 55.6097 34.8888 175.6184 26 N 4.5769 8.6625 124.3673 53.1272 40.1795 174.3947 27 K 4.6336 8.0504 115.9033 55.4619 34.7662 177.7735 28 R 3.8530 7.9352 122.1342 57.2677 28.3430 177.1861 29 N 4.3983 9.2958 123.4115 57.4191 38.4580 175.1823 30 T 3.8286 8.2898 106.8009 61.9349 69.0384 172.5239 31 P 3.9325 0.0000 0.0000 62.1795 28.8382 174.5678 32 N 4.7169 8.4168 119.3776 53.1295 41.7337 174.3893 33 K 4.0511 8.4310 118.8345 57.8672 31.5941 176.2034 34 L 3.4960 8.1974 121.2315 56.2114 39.8069 176.5461 35 E 4.2458 8.3768 120.4827 55.4188 28.5554 174.1618 36 L 5.1429 7.4110 123.8477 52.8443 43.5175 176.2773 37 R 4.3861 8.1618 115.5064 55.0102 34.9776 174.2934 38 K 4.2849 9.0907 125.4940 55.5672 32.6016 174.8898 39 Y 4.7535 8.2899 128.5250 56.7768 38.8350 177.2069 40 C 4.6220 6.9394 114.4973 57.9519 32.5705 170.5697 41 P 5.1838 0.0000 0.0000 59.7967 33.1509 176.0974 42 W 4.8994 8.7342 129.4010 60.5924 31.1881 177.1162 43 C 4.3894 7.3609 116.6247 59.5471 25.1495 168.4596 44 R 3.8645 7.7745 127.0670 54.9749 30.4627 177.0427 45 K 4.2637 8.4126 121.6085 56.3463 32.8620 177.1019 46 H 4.6046 8.5487 116.5930 55.3987 30.3641 173.6218 47 T 4.6837 8.3190 115.5352 62.3130 71.2448 174.8982 48 V 4.0372 8.1752 119.5596 61.3988 33.1363 172.3089 49 H 4.8901 8.0109 123.1941 54.4398 29.6047 173.2076 50 R 5.1602 7.8545 119.1981 56.0792 31.3424 175.5943 51 E 4.7413 8.2699 126.1560 57.7244 29.4021 176.1301 52 V 3.3927 8.7314 128.5690 63.2135 31.3944 170.7442 *53 K 4.1330 8.3663 121.7850 54.7542 32.2491 173.8694 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 9 L 8.04 4.31 0.00 1.74 1.61 0.92 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.32 4.91 0.00 1.58 1.54 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.35 4.95 0.00 1.51 1.53 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.84 4.91 0.00 2.23 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 2.37 1.92 0.00 13 C 8.54 4.85 0.00 2.76 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.21 4.99 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 1.20 0.00 0.00 15 E 8.22 3.76 0.00 2.05 1.77 0.00 0.00 0.00 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 2.30 0.00 16 C 8.54 4.08 0.00 2.97 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.85 4.25 0.00 1.76 2.13 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.23 1.20 7.81 18 R 7.60 4.47 0.00 1.88 1.76 0.00 3.26 0.00 0.00 3.25 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 19 R 8.21 4.33 0.00 2.05 1.28 0.00 3.26 0.00 0.00 3.29 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 20 N 9.22 3.78 0.00 2.93 2.73 0.00 0.00 6.69 7.56 0.00 0.00 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 Y 8.23 5.51 0.00 2.96 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.31 4.37 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.17 3.34 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 1.19 0.00 0.00 24 E 9.38 4.68 0.00 1.79 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.27 0.00 25 K 8.49 5.05 0.00 1.56 1.70 0.00 1.79 0.00 0.00 2.27 0.00 0.00 2.76 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.25 7.81 26 N 8.66 4.58 0.00 2.73 2.75 0.00 0.00 7.01 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.05 4.63 0.00 1.72 1.73 0.00 1.94 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.35 7.81 28 R 7.94 3.85 0.00 1.96 1.06 0.00 3.38 0.00 0.00 3.22 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 29 N 9.30 4.40 0.00 2.71 2.88 0.00 0.00 6.76 7.54 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 30 T 8.29 3.83 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 1.21 0.00 0.00 31 P 0.00 3.93 0.00 2.10 2.10 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 32 N 8.42 4.72 0.00 2.58 2.88 0.00 0.00 7.56 6.68 0.00 0.00 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 K 8.43 4.05 0.00 1.86 2.13 0.00 1.97 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.29 1.31 7.81 34 L 8.20 3.50 0.00 1.72 1.65 0.93 0.93 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 35 E 8.38 4.25 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 2.28 0.00 36 L 7.41 5.14 0.00 1.66 1.60 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.16 4.39 0.00 1.61 1.84 0.00 3.37 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 38 K 9.09 4.28 0.00 1.82 1.81 0.00 1.60 0.00 0.00 0.61 0.00 0.00 2.74 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.58 7.81 39 Y 8.29 4.75 0.00 2.63 1.51 0.00 0.00 0.00 0.00 0.00 0.00 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 C 6.94 4.62 0.00 2.38 2.11 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 41 P 0.00 5.18 0.00 2.36 2.26 0.00 3.93 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.08 0.00 42 W 8.73 4.90 0.00 3.14 3.15 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 43 C 7.36 4.39 0.00 3.42 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.77 3.86 0.00 1.94 1.95 0.00 3.33 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 45 K 8.41 4.26 0.00 1.77 1.81 0.00 2.11 0.00 0.00 2.09 0.00 0.00 3.14 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.43 7.81 46 H 8.55 4.60 0.00 3.29 3.32 0.00 5.48 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.32 4.68 4.34 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 1.13 0.00 0.00 48 V 8.18 4.04 2.12 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 0.88 0.00 0.00 0.96 0.00 0.00 49 H 8.01 4.89 0.00 3.63 3.36 0.00 6.03 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.85 5.16 0.00 1.79 1.26 0.00 3.52 0.00 0.00 3.31 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.50 0.00 51 E 8.27 4.74 0.00 1.94 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 2.21 2.26 0.00 52 V 8.73 3.39 2.31 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 0.83 0.00 0.00 1.01 0.00 0.00 *53 K 8.37 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.