NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.3336 8.1844 120.7693 54.3203 43.6162 177.3694 8 S 4.2158 8.1823 114.3173 56.6869 64.3751 173.2908 9 L 3.9824 9.2430 129.7454 58.3769 42.4796 178.8241 10 E 4.0839 8.1589 118.0993 59.4353 29.3802 179.2469 11 Q 4.0265 7.8490 118.1703 59.1326 28.8499 178.6857 12 Q 4.0173 8.4173 119.3816 58.9695 28.7628 178.7489 13 F 4.2295 8.4045 121.6766 61.3330 39.4505 177.1749 14 S 3.9717 8.1573 112.5494 61.4387 62.2060 176.2408 15 I 3.8249 8.0424 122.7666 64.4279 36.7078 178.6973 16 R 3.9709 8.1457 119.0292 59.1306 29.5255 179.2402 17 S 3.9388 7.8602 115.1235 61.2914 62.7289 176.3905 18 F 4.1576 8.2445 123.1392 61.3760 39.2335 176.9850 19 A 3.7757 7.9920 120.2514 55.4093 17.8241 179.7501 20 T 3.7369 7.3421 113.3821 66.8429 68.4686 176.5698 21 Q 3.9774 7.5295 119.6307 58.8828 28.4675 178.9946 22 V 3.2425 6.9006 118.2641 65.6870 31.5052 177.6430 23 Q 4.1744 7.5952 117.1697 57.5304 29.4901 176.8312 24 N 4.5022 7.2940 117.9321 51.5168 37.4536 174.6409 *26 S 4.2627 7.7571 117.9025 57.6037 65.8495 173.9610 27 H 4.1572 8.5997 120.1448 59.9477 29.3799 176.7122 28 D 4.3457 8.0458 119.8471 57.3265 40.6769 178.6181 29 Q 4.0286 8.1425 118.3866 58.8421 28.6511 178.7138 30 A 4.0162 8.2572 121.8919 55.2014 18.5456 179.8915 31 K 3.9641 8.1148 117.0123 59.7613 32.1024 179.4375 32 D 4.4128 8.4100 119.3565 57.1862 40.6266 178.6619 33 F 4.0104 8.5707 121.3935 61.0842 39.3759 177.0297 34 L 4.1544 8.3429 118.8842 58.0958 41.5157 179.7124 35 V 3.6564 7.7600 117.6908 66.0255 31.4870 178.0000 36 K 3.9365 8.0999 119.3922 59.2373 31.7706 178.6662 37 L 3.9113 8.1036 120.3109 58.2691 42.1581 177.9739 38 Y 4.2535 8.1112 118.5849 60.5800 38.9421 177.1122 39 E 3.9972 8.2851 120.3259 59.1890 29.6796 179.8930 40 Q 4.2443 7.8052 116.9844 56.0206 28.6710 178.5961 *42 V 3.7907 7.8080 121.5828 62.8995 33.6029 177.5039 43 V 3.5278 7.9196 119.0678 66.0589 31.2033 178.2730 44 R 3.8315 8.1275 117.9239 59.0241 29.8185 178.6030 45 E 4.0260 8.1829 118.4339 59.4040 29.7671 178.5451 46 A 4.1602 8.1903 120.8536 55.4607 18.3483 179.8505 47 T 3.7716 7.9797 114.1789 67.0203 68.4833 176.6243 48 Y 4.2273 8.0892 118.7549 61.2124 37.6397 178.6173 49 Q 4.0400 8.2136 118.1176 58.9016 28.9834 178.2887 50 E 4.0871 8.2761 120.1631 59.3958 29.8468 178.8571 51 L 4.0398 7.9136 118.9327 57.8400 41.5456 179.1447 52 L 4.3923 8.0710 116.5384 56.3344 41.7298 178.8236 53 K 4.2002 7.7276 118.3224 57.5016 32.4039 176.8404 54 H 4.0613 7.5960 119.5000 56.0267 30.1680 174.3334 55 Q 4.4626 8.0293 125.8841 53.9733 29.2001 175.5542 56 W 4.1370 8.8143 123.7037 57.2483 30.0353 176.8500 57 G 4.2731 8.8769 109.5686 46.2110 0.0000 173.4875 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 7 L 8.18 4.33 0.00 1.68 1.63 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.18 4.22 0.00 3.89 3.98 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 0.00 0.00 0.00 9 L 9.24 3.98 0.00 1.81 1.66 0.94 0.92 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 10 E 8.16 4.08 0.00 2.07 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 0.00 2.42 2.36 0.00 11 Q 7.85 4.03 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 12 Q 8.42 4.02 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 13 F 8.40 4.23 0.00 3.21 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 14 S 8.16 3.97 0.00 4.03 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 15 I 8.04 3.82 1.89 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 1.53 0.53 0.96 0.00 0.00 16 R 8.15 3.97 0.00 1.86 1.93 0.00 3.16 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 17 S 7.86 3.94 0.00 3.74 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 18 F 8.24 4.16 0.00 3.15 3.24 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 0.00 19 A 7.99 3.78 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 20 T 7.34 3.74 4.33 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 1.15 0.00 0.00 21 Q 7.53 3.98 0.00 1.78 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 22 V 6.90 3.24 1.83 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 0.64 0.00 0.00 -0.05 0.00 0.00 23 Q 7.60 4.17 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 24 N 7.29 4.50 0.00 2.62 2.73 0.00 0.00 7.00 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 *26 S 7.76 4.26 0.00 4.09 4.06 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 0.00 0.00 0.00 27 H 8.60 4.16 0.00 3.21 3.36 0.00 5.69 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 28 D 8.05 4.35 0.00 2.73 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 29 Q 8.14 4.03 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 30 A 8.26 4.02 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 K 8.11 3.96 0.00 1.80 1.86 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.41 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.59 7.81 32 D 8.41 4.41 0.00 2.75 2.74 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 33 F 8.57 4.01 0.00 3.32 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 34 L 8.34 4.15 0.00 1.99 1.79 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.76 3.66 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 1.03 0.00 0.00 0.97 0.00 0.00 36 K 8.10 3.94 0.00 1.79 1.69 0.00 1.53 0.00 0.00 1.33 0.00 0.00 2.19 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 1.33 7.81 37 L 8.10 3.91 0.00 1.89 1.99 0.95 0.95 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 38 Y 8.11 4.25 0.00 3.06 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 39 E 8.29 4.00 0.00 2.09 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 0.00 2.25 2.31 0.00 40 Q 7.81 4.24 0.00 2.27 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.16 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 *42 V 7.81 3.79 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.24 0.00 0.00 43 V 7.92 3.53 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 0.92 0.00 0.00 0.93 0.00 0.00 44 R 8.13 3.83 0.00 2.01 2.04 0.00 3.17 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 45 E 8.18 4.03 0.00 2.06 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 2.40 2.42 0.00 46 A 8.19 4.16 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.98 3.77 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 1.04 0.00 0.00 48 Y 8.09 4.23 0.00 3.11 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.21 4.04 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 50 E 8.28 4.09 0.00 2.21 2.14 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 2.29 2.38 0.00 51 L 7.91 4.04 0.00 2.02 1.81 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.07 4.39 0.00 1.88 1.79 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.73 4.20 0.00 1.86 1.87 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.58 7.81 54 H 7.60 4.06 0.00 2.96 3.18 0.00 5.93 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 8.03 4.46 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 56 W 8.81 4.14 0.00 3.29 3.21 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 57 G 8.88 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.