NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2872 8.1733 121.7884 56.5366 34.6390 177.8167 4 Q 3.8027 8.0745 117.7084 58.1209 28.5628 177.0089 5 L 4.0621 8.1928 122.3233 58.5156 42.4807 179.0168 6 E 3.9711 8.1053 117.8969 61.3538 29.7114 181.3142 7 D 4.5679 8.0424 120.3235 57.1314 40.8618 179.2116 8 K 3.9879 8.0247 118.6967 59.2989 31.9761 179.6681 9 V 3.6922 8.0880 118.8963 65.5715 31.4026 177.5548 10 E 3.9665 8.6509 122.1191 60.0075 29.3700 179.3993 11 E 3.9441 8.4010 118.3239 61.0134 29.8239 180.3374 12 L 4.1333 8.4060 122.1131 58.1742 42.1121 179.1297 13 L 4.0051 8.0875 118.7439 57.8874 41.4482 179.5790 14 S 4.1309 8.1280 113.0764 61.2884 62.2882 176.3706 15 K 3.9904 8.4614 121.4273 59.3193 31.7116 179.2827 16 A 3.9954 8.6776 121.5098 55.2737 18.3568 179.3654 *17 Y 3.8799 8.0174 115.3058 61.2244 37.6501 177.9918 18 H 4.0933 8.4642 119.4341 59.2892 29.9329 176.8222 19 L 3.8611 8.1324 122.2203 58.1523 41.8571 178.3880 20 E 3.9008 8.3296 119.1634 59.5752 29.5769 178.6376 21 N 4.3398 8.0293 116.1157 56.4072 38.5109 177.3390 22 E 3.9311 8.0775 119.9960 59.2136 29.5060 179.4962 23 V 3.5460 8.1935 118.5633 66.0396 31.3839 178.0134 24 A 4.0090 7.8304 119.2631 54.9923 18.3408 179.7014 25 R 3.9851 7.8463 116.6808 59.4081 30.1794 178.7064 26 L 3.9297 8.1956 120.5351 58.2160 41.8522 178.8398 27 K 3.8648 8.2250 119.4092 59.5799 31.8473 178.8711 28 K 3.8708 7.5645 117.4605 59.2898 31.9853 179.1523 29 L 4.1151 7.6108 117.9795 57.8651 41.8403 179.0902 30 V 3.8007 7.9264 116.9359 63.4994 31.6463 175.9740 31 G 4.1374 8.6370 112.0408 45.8694 0.0000 173.0020 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 3 K 8.17 4.29 0.00 1.90 1.87 0.00 1.81 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.04 7.81 4 Q 8.07 3.80 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.76 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 5 L 8.19 4.06 0.00 1.75 1.66 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.11 3.97 0.00 2.01 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 2.31 1.97 0.00 7 D 8.04 4.57 0.00 2.84 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 8 K 8.02 3.99 0.00 1.97 1.85 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.65 7.81 9 V 8.09 3.69 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 1.07 0.00 0.00 0.99 0.00 0.00 10 E 8.65 3.97 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 11 E 8.40 3.94 0.00 2.00 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 2.24 2.19 0.00 12 L 8.41 4.13 0.00 1.81 1.89 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.09 4.01 0.00 1.97 1.71 0.92 0.67 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 14 S 8.13 4.13 0.00 3.91 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.46 3.99 0.00 1.83 1.86 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.59 7.81 16 A 8.68 4.00 1.35 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 *17 Y 8.02 3.88 0.00 2.62 2.36 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 0.00 18 H 8.46 4.09 0.00 3.16 3.47 0.00 5.60 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.13 3.86 0.00 1.84 1.89 0.91 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.33 3.90 0.00 2.14 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 2.30 2.36 0.00 21 N 8.03 4.34 0.00 2.94 2.82 0.00 0.00 7.10 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 22 E 8.08 3.93 0.00 2.07 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 2.32 2.28 0.00 23 V 8.19 3.55 2.25 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 1.00 0.00 0.00 0.95 0.00 0.00 24 A 7.83 4.01 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 0.00 0.00 0.00 0.00 0.00 25 R 7.85 3.99 0.00 2.08 1.97 0.00 3.32 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 26 L 8.20 3.93 0.00 1.83 1.84 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.22 3.86 0.00 1.99 1.99 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.53 7.81 28 K 7.56 3.87 0.00 1.93 1.86 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.68 7.81 29 L 7.61 4.12 0.00 1.86 1.72 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.93 3.80 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 0.81 0.00 0.00 0.99 0.00 0.00 31 G 8.64 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.