NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 4.0685 8.1245 118.5511 59.3580 37.1925 175.4283 6 E 4.1523 8.5521 116.2743 55.7735 29.7890 175.4118 7 L 4.6982 8.1378 125.1640 52.4747 44.1860 177.2928 8 S 4.4047 8.9213 117.9279 57.9783 65.0301 175.3327 9 L 4.0805 8.4752 123.9349 58.3340 41.8237 178.9514 10 E 4.0080 8.1498 117.1703 59.5623 29.6597 178.9410 11 Q 4.1488 7.9820 119.9852 58.1936 28.7567 178.8421 12 Q 4.0554 8.4034 119.0824 59.0130 28.7299 178.9718 13 F 3.9292 8.5609 119.0299 60.4747 38.4859 177.8652 14 S 4.2272 8.3157 113.9439 61.7374 62.7214 176.6911 15 I 3.9166 8.0371 123.5789 63.9054 36.8426 178.4068 16 R 3.9279 8.1315 119.7160 59.3755 29.3726 178.6016 17 S 4.1517 8.3129 115.1280 61.7417 62.9089 176.5945 18 F 4.2327 8.4746 122.9014 61.2311 39.1609 176.8425 19 A 3.9105 8.5639 120.8851 55.5533 17.8915 179.6872 20 T 3.7743 7.6804 113.1278 66.9078 68.6310 176.5754 21 Q 4.0092 7.6015 119.0802 58.9168 28.4936 178.9848 22 V 3.3898 7.2354 118.4562 65.6199 31.6336 177.5631 23 Q 4.1640 7.8678 115.3952 57.1892 29.9906 176.6183 24 N 4.4926 7.2749 120.9180 51.8344 37.2545 173.9489 *26 S 4.2712 7.4530 116.7464 57.8068 66.0895 174.2406 27 H 4.1006 8.5157 119.6949 59.8329 29.4829 176.7239 28 D 4.4271 8.0958 120.0339 57.4007 40.7141 178.6497 29 Q 4.0257 8.1424 118.2248 58.8199 28.6067 178.7420 30 A 4.1020 8.3049 121.9109 55.0377 18.5026 179.7638 31 K 3.9325 8.1857 117.0127 59.9151 32.1402 179.3594 32 D 4.4235 8.3853 119.1848 57.3615 40.6418 178.6535 33 F 4.3067 8.5469 121.2537 60.7912 39.3826 176.9917 34 L 3.8792 8.2708 120.5131 58.2667 41.8960 179.2681 35 V 3.6414 7.6528 117.6217 65.6893 31.4455 177.9653 36 K 3.8862 7.7887 119.1891 59.3172 31.8331 178.6113 37 L 3.7033 7.3571 119.7294 58.1119 42.0093 178.0296 38 Y 4.0842 7.8128 118.5051 60.6002 39.0364 177.0134 39 E 3.9943 8.2409 120.2974 59.1278 29.6454 179.0768 40 Q 4.2346 7.8066 118.8568 56.1988 29.2418 178.0440 *42 V 3.7905 7.7884 119.2783 62.3726 33.5919 177.3597 43 V 3.5544 7.8349 118.8560 66.0832 31.1808 178.1426 44 R 3.8102 8.0807 117.8509 59.2089 29.9099 178.5880 45 E 4.0174 8.1982 118.3432 59.3616 29.7365 178.6102 46 A 4.0316 8.1238 120.7502 55.3682 18.4070 179.8346 47 T 3.7719 7.8278 114.3194 67.0197 68.5374 176.6331 48 Y 4.2965 8.1551 118.8959 61.2415 37.9328 178.7422 49 Q 4.1155 8.2557 119.0720 58.9429 28.8721 178.5995 50 E 4.0547 8.1485 119.6283 59.3692 29.2667 179.3876 51 L 4.0973 7.8814 118.2078 57.6601 42.0593 179.2722 52 L 4.2872 8.2207 119.0142 57.7857 40.0582 179.3368 53 K 4.0413 8.0706 119.3746 59.8134 31.8814 177.5730 54 H 4.1821 7.9402 112.9307 56.5013 28.7169 176.6772 55 Q 4.1420 7.7098 120.3530 57.7394 29.2457 175.6589 56 W 4.3961 7.5294 122.2847 56.9836 29.2021 176.3994 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 I 8.12 4.07 1.87 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 1.27 1.21 0.91 0.00 0.00 6 E 8.55 4.15 0.00 2.06 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.96 0.00 7 L 8.14 4.70 0.00 1.65 1.64 0.94 1.01 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 8 S 8.92 4.40 0.00 4.06 4.02 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 4.08 0.00 1.84 1.75 1.12 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.15 4.01 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 11 Q 7.98 4.15 0.00 2.37 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 12 Q 8.40 4.06 0.00 2.41 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 13 F 8.56 3.93 0.00 3.26 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 14 S 8.32 4.23 0.00 4.12 4.19 0.00 0.00 0.00 0.00 0.00 0.00 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 3.92 1.93 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 1.45 0.65 1.00 0.00 0.00 16 R 8.13 3.93 0.00 1.82 1.96 0.00 2.96 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 17 S 8.31 4.15 0.00 4.19 3.99 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 4.23 0.00 3.13 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 3.91 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 20 T 7.68 3.77 4.36 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 1.18 0.00 0.00 21 Q 7.60 4.01 0.00 2.00 1.96 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 2.31 2.50 0.00 22 V 7.24 3.39 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.12 0.00 0.00 23 Q 7.87 4.16 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.03 0.00 0.00 0.00 0.00 0.00 2.59 2.34 0.00 24 N 7.27 4.49 0.00 2.78 2.77 0.00 0.00 6.93 7.42 0.00 0.00 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 7.45 4.27 0.00 4.09 4.07 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 0.00 0.00 0.00 27 H 8.52 4.10 0.00 3.23 3.31 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 8.10 4.43 0.00 2.74 2.72 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 29 Q 8.14 4.03 0.00 2.38 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 30 A 8.30 4.10 1.41 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 0.00 0.00 0.00 31 K 8.19 3.93 0.00 2.01 1.91 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.73 7.81 32 D 8.39 4.42 0.00 2.77 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 8.55 4.31 0.00 3.29 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 3.88 0.00 2.10 1.66 0.93 1.11 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 35 V 7.65 3.64 2.09 0.00 0.00 0.00 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 1.01 0.00 0.00 36 K 7.79 3.89 0.00 1.91 1.60 0.00 1.86 0.00 0.00 1.50 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.63 7.81 37 L 7.36 3.70 0.00 1.02 1.60 0.80 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.81 4.08 0.00 2.98 2.98 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 39 E 8.24 3.99 0.00 2.10 2.06 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 2.27 2.28 0.00 40 Q 7.81 4.23 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.16 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 *42 V 7.79 3.79 1.97 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 0.82 0.00 0.00 0.42 0.00 0.00 43 V 7.83 3.55 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 0.92 0.00 0.00 0.90 0.00 0.00 44 R 8.08 3.81 0.00 1.95 2.03 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 1.57 1.72 0.00 45 E 8.20 4.02 0.00 2.07 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 2.38 2.61 0.00 46 A 8.12 4.03 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 47 T 7.83 3.77 4.14 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 1.04 0.00 0.00 48 Y 8.16 4.30 0.00 3.04 2.93 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 49 Q 8.26 4.12 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 50 E 8.15 4.05 0.00 2.23 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 2.36 2.37 0.00 51 L 7.88 4.10 0.00 1.92 1.82 0.87 0.91 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 52 L 8.22 4.29 0.00 1.97 1.88 0.98 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.07 4.04 0.00 1.96 1.98 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.49 7.81 54 H 7.94 4.18 0.00 3.29 3.32 0.00 5.89 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 7.71 4.14 0.00 1.99 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.52 6.96 0.00 0.00 0.00 0.00 0.00 2.23 2.55 0.00 56 W 7.53 4.40 0.00 3.31 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 * Residues marked with a * may have inaccurate shift predictions.