NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 L 4.2661 8.1693 120.9908 55.1461 41.8144 176.4065 -1 N 4.2216 8.4008 119.9882 51.8152 38.0056 171.1294 -1 P 3.9016 0.0000 0.0000 62.0152 31.2056 173.2294 2 K 4.9218 8.6293 123.5792 55.1086 35.7519 174.6041 3 I 4.7201 8.5809 127.4933 59.2004 41.8253 174.1361 4 I 5.3543 8.3910 128.3664 59.0216 39.2826 175.0961 5 I 4.1708 8.4143 128.9461 61.1755 38.4004 176.4133 6 F 5.7499 8.7454 125.5573 55.8270 41.4718 174.3955 7 E 3.7172 8.7967 120.9097 58.0952 28.5735 176.4046 8 Q 4.4776 7.8908 114.4857 54.6927 32.0695 172.6651 9 E 3.4004 8.2833 119.0612 52.5543 33.4972 175.7229 10 N 4.1806 9.2193 116.9317 54.6399 37.4105 173.3807 11 F 3.4033 6.3939 109.4933 58.4805 37.3951 175.5204 12 Q 4.8542 8.3817 118.4752 55.4534 31.9277 176.8773 13 G 3.9788 8.3859 110.1215 45.5144 0.0000 175.4883 14 H 4.1677 8.8111 126.2134 56.1716 28.5871 172.3897 15 S 4.2397 8.2555 119.8225 57.1826 64.4922 173.5778 16 H 5.0950 8.7800 120.5679 54.0415 33.0799 172.6134 17 E 5.1193 8.7570 119.2540 55.0753 32.3500 174.5744 18 L 4.7192 8.4908 120.5197 53.7279 45.8085 175.7502 19 N 6.1695 8.7543 120.1675 52.8628 40.6368 173.5694 20 G 4.0644 7.7420 106.2964 43.8105 0.0000 170.8079 21 P 4.3762 0.0000 0.0000 63.1537 31.7431 176.6988 22 C 4.9306 8.1985 112.5763 57.9811 32.6442 171.6182 23 P 4.2649 0.0000 0.0000 64.9635 31.8110 176.3198 24 N 5.0928 7.7805 116.2858 52.1162 39.3401 175.6481 25 L 4.4295 7.8010 119.4966 57.7468 40.8534 179.3209 26 K 3.8661 8.2095 118.2275 58.7807 32.0025 177.0709 27 E 4.4515 8.3987 114.8930 57.1275 30.7536 177.1814 28 T 3.7951 7.7514 116.1836 65.4781 68.7169 174.4237 *328 G 4.4651 7.8654 115.0101 45.8882 0.0000 172.7915 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 -2 L 8.17 4.27 0.00 1.78 1.76 0.93 0.45 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 N 8.40 4.22 0.00 2.98 3.03 0.00 0.00 6.24 6.88 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 -1 P 0.00 3.90 0.00 2.44 2.22 0.00 2.20 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 2 K 8.63 4.92 0.00 1.72 1.67 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.44 7.81 3 I 8.58 4.72 1.91 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 1.28 1.38 0.95 0.00 0.00 4 I 8.39 5.35 2.41 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.36 1.13 0.00 0.00 5 I 8.41 4.17 1.83 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 1.37 0.87 0.90 0.00 0.00 6 F 8.75 5.75 0.00 2.81 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 7 E 8.80 3.72 0.00 1.16 1.91 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 2.09 1.99 0.00 8 Q 7.89 4.48 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.21 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 9 E 8.28 3.40 0.00 2.00 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 2.28 2.30 0.00 10 N 9.22 4.18 0.00 2.77 2.94 0.00 0.00 7.02 7.02 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 11 F 6.39 3.40 0.00 3.19 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.38 4.85 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.36 0.00 0.00 0.00 0.00 0.00 2.62 2.45 0.00 13 G 8.39 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 0.00 0.00 0.00 14 H 8.81 4.17 0.00 3.28 3.56 0.00 5.46 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.26 4.24 0.00 3.51 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 H 8.78 5.10 0.00 3.08 3.09 0.00 5.78 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.76 5.12 0.00 1.99 1.99 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 2.20 2.30 0.00 18 L 8.49 4.72 0.00 1.80 1.51 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.75 6.17 0.00 2.68 2.82 0.00 0.00 6.74 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 20 G 7.74 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 0.00 0.00 0.00 21 P 0.00 4.38 0.00 2.05 2.05 0.00 3.73 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 22 C 8.20 4.93 0.00 2.90 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.26 0.00 2.07 2.14 0.00 3.68 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 24 N 7.78 5.09 0.00 2.65 2.66 0.00 0.00 6.96 6.66 0.00 0.00 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 L 7.80 4.43 0.00 1.82 2.10 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.21 3.87 0.00 1.98 1.95 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.40 7.81 27 E 8.40 4.45 0.00 1.98 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 2.22 2.63 0.00 28 T 7.75 3.80 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 *328 G 7.87 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.