NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.5161 8.1776 115.4056 57.4584 64.6882 174.0121 -1 W 4.1467 8.7076 116.5345 59.3670 27.7274 176.8295 0 M 3.3753 7.3914 119.5667 57.5216 32.1982 178.2044 1 E 4.1402 7.7816 116.3639 56.5897 30.0297 176.5980 2 E 4.0099 7.7136 120.4774 56.4401 30.1686 176.4399 3 V 4.2925 8.1568 118.9681 60.0884 33.2143 175.3201 4 I 4.6899 7.9417 115.1249 59.1287 40.4898 175.4685 5 K 4.4447 8.3049 121.7184 54.6994 32.6834 175.0370 6 L 4.8903 8.0217 122.9601 52.8892 46.1940 175.5098 7 C 4.9532 8.0805 116.9792 58.2051 33.2648 176.6273 8 G 3.8082 8.3421 110.3144 46.2947 0.0000 176.3107 9 R 3.8562 8.6832 121.3941 59.4502 29.6839 177.8550 10 E 4.0373 8.1785 118.0144 58.9568 29.3982 179.0872 11 L 3.9420 7.8248 120.2290 57.9861 42.2011 178.8333 12 V 3.5686 7.9713 118.3581 66.2933 31.4818 178.1899 13 R 3.9062 8.1137 117.3976 59.1965 29.8616 178.9533 14 A 4.0198 8.2443 120.6924 55.1027 18.3340 179.3987 15 Q 3.9596 8.6040 118.4379 59.4805 29.2514 178.6863 16 I 3.7086 8.1772 120.9356 64.2413 36.9895 178.3448 17 A 3.9760 8.1047 121.6576 55.1807 18.3670 179.5795 18 I 3.8034 8.3817 118.6826 65.0607 37.0202 178.4892 19 C 4.4243 8.2851 116.3301 62.3244 28.0240 175.8808 20 G 3.7113 7.7831 105.9890 46.8821 0.0000 174.8014 21 M 4.1347 7.6464 121.9095 56.3038 32.5135 176.5353 *22 S 4.5666 7.6207 119.0617 58.9276 64.8957 180.4071 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 S 8.18 4.52 0.00 3.99 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 -1 W 8.71 4.15 0.00 3.66 3.39 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 M 7.39 3.38 0.00 1.46 1.70 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.81 0.00 1 E 7.78 4.14 0.00 1.91 1.94 0.00 0.00 0.00 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 2.32 0.00 2 E 7.71 4.01 0.00 2.10 1.94 0.00 0.00 0.00 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 2.33 0.00 3 V 8.16 4.29 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 0.83 0.00 0.00 0.94 0.00 0.00 4 I 7.94 4.69 1.89 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 1.32 0.68 0.95 0.00 0.00 5 K 8.30 4.44 0.00 1.67 1.71 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.44 7.81 6 L 8.02 4.89 0.00 1.62 1.49 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.08 4.95 0.00 2.93 2.77 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 0.00 0.00 0.00 8 G 8.34 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.68 3.86 0.00 1.89 1.95 0.00 3.18 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 10 E 8.18 4.04 0.00 2.23 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 2.33 2.32 0.00 11 L 7.82 3.94 0.00 1.80 1.83 0.93 0.90 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 12 V 7.97 3.57 2.21 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 1.07 0.00 0.00 0.98 0.00 0.00 13 R 8.11 3.91 0.00 2.02 1.97 0.00 3.35 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.79 0.00 14 A 8.24 4.02 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 15 Q 8.60 3.96 0.00 2.19 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 16 I 8.18 3.71 2.00 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 1.46 1.15 0.91 0.00 0.00 17 A 8.10 3.98 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 18 I 8.38 3.80 2.12 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.31 1.15 0.00 0.00 19 C 8.29 4.42 0.00 2.97 3.02 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 20 G 7.78 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.65 4.13 0.00 1.82 1.69 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.81 0.00 *22 S 7.62 4.57 0.00 3.77 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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.