NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4351 8.3044 120.3487 54.4244 34.4325 174.8551 2 I 4.1388 7.6533 114.0487 60.3932 41.3400 172.7011 3 S 3.7529 9.8073 120.1399 59.1461 61.6925 171.3434 4 S 3.7365 8.2567 107.5710 58.6440 60.8955 172.8028 5 V 3.8513 8.2459 119.7928 64.7118 30.6017 176.0918 6 C 4.9236 7.6252 115.7908 57.5411 30.9734 173.2991 7 V 3.6094 7.8078 122.1484 64.7789 31.1913 176.1645 *9 S 4.0702 8.0343 116.9583 59.1168 64.0409 173.0014 10 Y 3.6204 8.4776 129.3627 56.4259 39.7040 170.0297 11 R 4.3576 7.9354 125.7362 56.1982 29.6140 177.2023 12 G 4.0371 8.3517 107.4899 44.9119 0.0000 172.6845 13 R 4.7774 7.9475 113.8302 55.0206 29.8577 176.1503 14 K 4.1906 8.3405 113.6800 58.8756 32.9168 176.7882 15 S 3.6190 8.4536 107.4025 58.8166 61.2291 171.1791 16 G 3.3444 6.9342 109.7715 44.8535 0.0000 171.4460 17 N 4.9797 7.3552 121.8333 51.6517 42.7260 173.7020 18 K 4.0609 8.5493 123.4582 55.6558 32.2625 174.6146 19 P 4.6039 0.0000 0.0000 61.3975 32.5099 175.4557 20 P 4.3014 0.0000 0.0000 65.8548 31.4750 177.8863 21 S 4.3031 8.0020 111.8527 59.6312 63.7118 174.2557 22 K 4.5916 7.3236 118.8669 54.8768 31.6209 175.7447 23 T 4.7739 7.5928 112.0152 61.2818 68.7616 174.3958 24 C 4.9683 7.8899 112.6180 57.9665 28.7186 174.0084 25 L 4.7199 8.6600 116.5959 55.8674 41.0788 177.2177 26 K 4.3222 8.1267 114.2706 57.7865 30.3776 175.4038 27 E 3.8776 7.8003 117.9103 58.2390 30.9247 178.1891 28 E 4.5473 7.4089 118.2354 56.0575 31.4234 175.9606 29 M 4.1817 8.4278 113.5020 55.7963 30.4866 176.9930 30 A 4.0638 7.9947 124.8984 52.1775 18.8090 177.6968 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 1 M 8.30 4.44 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 2 I 7.65 4.14 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 1.18 1.30 0.92 0.00 0.00 3 S 9.81 3.75 0.00 3.97 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 4 S 8.26 3.74 0.00 4.01 3.88 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 0.00 0.00 0.00 0.00 5 V 8.25 3.85 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 0.78 0.00 0.00 0.98 0.00 0.00 6 C 7.63 4.92 0.00 2.99 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 7 V 7.81 3.61 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 0.75 0.00 0.00 0.93 0.00 0.00 *9 S 8.03 4.07 0.00 4.03 3.96 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 10 Y 8.48 3.62 0.00 3.21 2.92 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 0.00 0.00 0.00 0.00 11 R 7.94 4.36 0.00 1.71 1.50 0.00 3.31 0.00 0.00 3.12 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 12 G 8.35 4.04 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 0.00 0.00 0.00 13 R 7.95 4.78 0.00 1.92 1.99 0.00 3.15 0.00 0.00 3.35 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.79 0.00 14 K 8.34 4.19 0.00 1.54 1.07 0.00 1.34 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.58 1.36 7.81 15 S 8.45 3.62 0.00 3.95 3.88 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 0.00 0.00 0.00 0.00 16 G 6.93 3.34 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 0.00 17 N 7.36 4.98 0.00 2.70 2.84 0.00 0.00 7.29 6.75 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 18 K 8.55 4.06 0.00 1.77 1.73 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.44 7.81 19 P 0.00 4.60 0.00 2.26 2.16 0.00 3.76 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.95 0.00 20 P 0.00 4.30 0.00 2.19 2.21 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 21 S 8.00 4.30 0.00 4.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.32 4.59 0.00 1.76 1.76 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.33 7.81 23 T 7.59 4.77 4.24 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 1.21 0.00 0.00 24 C 7.89 4.97 0.00 2.94 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 4.72 0.00 1.65 1.68 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.13 4.32 0.00 1.97 1.81 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.42 1.41 7.81 27 E 7.80 3.88 0.00 2.12 1.98 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 2.40 2.36 0.00 28 E 7.41 4.55 0.00 1.97 2.13 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 2.29 2.39 0.00 29 M 8.43 4.18 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 30 A 7.99 4.06 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.