NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2798 8.2644 123.5730 51.5169 20.6783 177.5572 3 C 4.7077 7.9184 114.7644 54.0934 45.3080 171.3549 4 Y 4.6714 8.4203 125.7424 56.2011 41.0490 176.2670 5 S 4.1816 8.7496 120.2305 61.6724 63.1048 177.0026 6 S 4.1227 8.0951 117.3843 61.2289 62.6813 175.8264 7 D 4.2946 8.0728 120.3241 56.9688 41.1284 178.2028 8 C 4.3979 8.3497 118.3803 59.5911 44.5809 175.0661 9 R 4.1973 8.1347 120.3239 59.5286 29.7985 180.1846 10 V 4.0306 7.7550 112.0762 61.7135 31.8310 177.8424 *12 C 4.6797 8.2080 117.6577 57.1378 43.3668 176.7121 13 V 4.0974 8.2538 118.3059 65.3405 31.2190 177.8546 14 A 4.0937 8.1086 121.6486 54.7457 18.2764 177.7693 15 M 4.3947 8.1274 114.2963 55.2042 32.0325 177.1168 16 G 3.7859 8.3079 106.6999 45.4906 0.0000 173.9988 17 F 4.6547 7.8044 118.4289 56.1687 40.6180 176.8653 18 S 4.3126 9.1292 118.5650 61.4211 63.1564 174.2503 19 S 4.5413 7.7267 112.2152 58.8947 64.6781 172.1102 20 G 4.3934 8.2128 107.9224 45.5124 0.0000 172.7966 *22 C 4.3781 8.5423 115.6848 56.7712 41.0745 173.6768 23 I 4.3968 7.9927 124.4152 60.1959 39.0508 175.2118 24 N 4.0241 9.6055 125.1184 54.5445 36.3346 174.6705 25 S 3.4323 7.7660 110.0689 59.2370 59.4299 170.4936 *27 C 4.3043 7.5605 120.1062 56.3606 44.9176 172.8696 *29 C 4.4233 8.2994 116.0275 56.8984 38.9457 173.7989 30 Y 4.3973 8.5952 118.8808 58.3765 38.2345 175.6336 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 A 8.26 4.28 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 C 7.92 4.71 0.00 3.08 2.91 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 0.00 0.00 0.00 4 Y 8.42 4.67 0.00 3.04 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.75 4.18 0.00 4.08 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.10 4.12 0.00 4.09 4.20 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.07 4.29 0.00 2.61 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 8 C 8.35 4.40 0.00 3.06 3.38 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 9 R 8.13 4.20 0.00 2.14 2.17 0.00 3.17 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 10 V 7.76 4.03 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 0.89 0.00 0.00 1.03 0.00 0.00 *12 C 8.21 4.68 0.00 3.23 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.25 4.10 2.27 0.00 0.00 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 0.00 0.00 1.10 0.00 0.00 14 A 8.11 4.09 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 15 M 8.13 4.39 0.00 2.32 2.48 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.69 0.00 16 G 8.31 3.79 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 0.00 0.00 0.00 17 F 7.80 4.65 0.00 3.22 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.13 4.31 0.00 4.06 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 19 S 7.73 4.54 0.00 3.85 3.77 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 20 G 8.21 4.39 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 0.00 0.00 0.00 *22 C 8.54 4.38 0.00 3.00 3.08 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 0.00 0.00 0.00 0.00 23 I 7.99 4.40 1.86 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.64 0.92 0.00 0.00 24 N 9.61 4.02 0.00 2.82 2.85 0.00 0.00 7.23 7.57 0.00 0.00 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 S 7.77 3.43 0.00 4.01 3.92 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 *27 C 7.56 4.30 0.00 2.94 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 *29 C 8.30 4.42 0.00 1.23 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 8.60 4.40 0.00 3.05 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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.