NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8517 8.2133 109.7208 44.6752 0.0000 174.1963 3 K 3.7093 8.2261 117.7320 58.4698 31.7945 177.3141 4 G 3.4681 7.6561 105.9154 45.9971 0.0000 172.7196 5 D 4.2996 8.1700 119.9795 54.5078 39.9579 176.5197 6 R 4.2454 8.4403 121.9097 57.1708 29.6468 177.5184 7 R 4.0653 7.7832 115.5831 55.2775 30.9644 175.9750 8 T 4.6203 7.3251 107.6236 59.8535 73.1263 173.7198 9 R 3.5712 8.4084 119.2256 59.7015 30.6125 178.3310 10 R 3.9963 8.0448 116.9680 59.5989 30.5176 179.0922 11 G 4.2855 7.6699 106.1813 46.9222 0.0000 175.1493 12 K 4.2262 8.4339 121.4336 58.4799 32.2295 179.1061 13 I 3.5889 7.6211 120.4712 63.9613 36.9596 177.5137 14 W 4.2177 8.2887 128.1964 60.7745 30.5034 177.2316 15 R 3.9092 7.5438 115.7459 59.6300 30.3282 177.7214 16 G 4.1284 8.4929 104.9151 45.5486 0.0000 171.7612 17 T 4.5967 7.6046 107.3456 61.0693 71.8078 172.2472 18 Y 5.0283 8.2172 117.3478 57.2020 42.6097 176.1555 19 G 4.0628 8.2664 114.2344 46.3751 0.0000 176.2975 20 K 3.8997 8.8090 124.0349 59.1031 32.2514 177.4311 21 Y 4.4811 7.9424 113.6552 57.5956 38.4599 175.8147 22 R 4.7051 7.2690 114.8712 55.7248 32.6635 171.6425 23 P 5.0100 0.0000 0.0000 62.0092 32.5009 177.4794 24 R 4.1931 8.1993 117.5208 56.8955 31.4066 175.2748 25 K 4.2798 7.7999 119.1020 55.7325 30.2761 175.7089 *26 K 4.1330 8.7617 119.2254 54.5546 32.3269 174.8552 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 3.85 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 0.00 0.00 0.00 3 K 8.23 3.71 0.00 1.33 0.87 0.00 1.40 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.34 7.81 4 G 7.66 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 4.30 0.00 2.62 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 4.25 0.00 1.83 1.94 0.00 3.23 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 7 R 7.78 4.07 0.00 1.67 1.10 0.00 2.98 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.37 0.00 8 T 7.33 4.62 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 9 R 8.41 3.57 0.00 1.99 1.88 0.00 3.26 0.00 0.00 3.36 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 10 R 8.04 4.00 0.00 1.88 1.97 0.00 3.19 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 11 G 7.67 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.43 4.23 0.00 1.87 1.94 0.00 1.56 0.00 0.00 1.67 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.60 7.81 13 I 7.62 3.59 2.02 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 1.32 1.24 0.89 0.00 0.00 14 W 8.29 4.22 0.00 3.16 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 15 R 7.54 3.91 0.00 2.15 2.18 0.00 3.33 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 16 G 8.49 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.60 4.60 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 18 Y 8.22 5.03 0.00 2.85 3.13 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 0.00 0.00 0.00 19 G 8.27 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 0.00 0.00 0.00 20 K 8.81 3.90 0.00 1.70 1.54 0.00 1.52 0.00 0.00 1.25 0.00 0.00 2.69 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.85 1.21 7.81 21 Y 7.94 4.48 0.00 2.95 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 7.27 4.71 0.00 1.87 1.83 0.00 3.01 0.00 0.00 3.01 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.45 0.00 23 P 0.00 5.01 0.00 2.11 2.00 0.00 3.83 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.32 0.00 24 R 8.20 4.19 0.00 1.70 1.78 0.00 2.80 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.42 0.00 25 K 7.80 4.28 0.00 1.80 1.22 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.23 1.24 7.81 *26 K 8.76 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.16 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.