NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8275 8.2133 109.7191 45.2651 0.0000 175.8280 3 K 3.6203 8.6182 124.4313 56.9090 32.0859 175.2981 4 G 3.5086 8.9673 109.7752 46.7310 0.0000 173.0942 5 D 4.2547 7.7799 121.5996 53.9134 41.1653 176.2890 6 R 3.9390 8.8513 126.9706 59.6935 30.1324 181.4182 7 R 3.6671 7.5548 116.2369 55.2172 29.0270 175.9366 8 T 4.5689 8.2138 108.9620 59.6356 71.2716 172.7997 9 R 4.0022 7.8915 120.4335 58.8800 29.7720 178.4298 10 R 4.2970 8.0788 118.6396 59.2863 30.4149 179.1156 11 G 3.9598 8.0973 107.0390 46.5395 0.0000 174.9635 12 K 4.3934 8.4073 121.0124 57.6456 32.7828 178.4762 13 I 3.6530 7.6720 119.2642 63.8382 36.8707 177.7576 14 W 4.1340 8.5873 129.5361 60.5775 30.5119 178.0609 15 R 4.1460 7.7600 116.0994 57.5157 29.3777 176.7679 16 G 3.8259 7.5982 104.6658 46.4767 0.0000 172.6933 17 T 4.8921 7.8084 108.7744 59.5994 71.7424 171.7731 18 Y 4.8885 8.6992 117.7814 55.8651 42.5106 175.9027 19 G 4.1064 8.4767 106.5236 46.3326 0.0000 173.5294 20 K 3.8253 9.1133 120.1844 59.6980 32.2329 178.1196 21 Y 4.4832 8.1137 113.1958 57.4601 38.1051 176.1500 22 R 4.5327 7.6540 117.2989 55.5173 32.1949 172.3390 23 P 4.8884 0.0000 0.0000 62.1425 32.4159 176.1599 24 R 4.5420 8.5192 116.6011 56.0619 30.1666 177.2396 25 K 3.8995 8.0408 119.7904 56.2907 31.6904 176.8673 *26 K 4.1330 8.2165 119.7815 54.7811 32.3269 172.4387 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 G 8.21 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.62 3.62 0.00 1.16 0.98 0.00 1.53 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.35 7.81 4 G 8.97 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.78 4.25 0.00 2.68 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.85 3.94 0.00 1.82 1.95 0.00 3.15 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 7 R 7.55 3.67 0.00 1.65 1.14 0.00 3.00 0.00 0.00 3.01 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.38 0.00 8 T 8.21 4.57 4.23 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 1.22 0.00 0.00 9 R 7.89 4.00 0.00 1.96 1.82 0.00 3.23 0.00 0.00 3.32 8.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 10 R 8.08 4.30 0.00 1.87 2.01 0.00 3.16 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 11 G 8.10 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 0.00 0.00 0.00 12 K 8.41 4.39 0.00 1.97 1.71 0.00 1.56 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.56 7.81 13 I 7.67 3.65 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.83 0.92 0.00 0.00 14 W 8.59 4.13 0.00 3.48 3.20 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 15 R 7.76 4.15 0.00 2.30 2.17 0.00 3.65 0.00 0.00 3.36 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 16 G 7.60 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.81 4.89 4.34 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 1.27 0.00 0.00 18 Y 8.70 4.89 0.00 2.84 3.03 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 19 G 8.48 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 20 K 9.11 3.83 0.00 1.78 2.07 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.62 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.78 1.29 7.81 21 Y 8.11 4.48 0.00 2.93 2.99 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 0.00 0.00 0.00 22 R 7.65 4.53 0.00 1.78 1.70 0.00 2.80 0.00 0.00 2.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.39 0.00 23 P 0.00 4.89 0.00 2.13 2.01 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 24 R 8.52 4.54 0.00 1.74 1.78 0.00 2.99 0.00 0.00 2.53 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.56 0.00 25 K 8.04 3.90 0.00 1.88 2.06 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.42 7.81 *26 K 8.22 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.