NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1853 H 4.7222 8.4444 117.3738 54.7418 30.7011 174.5096 1854 M 4.2300 7.8008 117.6452 56.0423 32.2049 176.1030 1855 G 3.9235 8.1277 106.4210 48.4381 0.0000 174.8270 1856 K 3.9572 8.1696 121.1174 59.7384 32.3502 178.9979 1857 V 3.5363 7.7962 118.7920 65.7328 31.6430 176.9111 1858 Y 4.1214 7.9798 118.7225 60.8435 38.5694 178.2803 1859 A 3.7727 8.3298 121.1223 55.1384 18.4887 179.2008 1860 A 3.9651 8.1625 119.4787 55.6633 18.2823 179.8605 1861 L 3.9216 8.0812 116.9407 57.6498 41.5884 179.6809 1862 M 3.9964 7.6380 118.7941 58.3597 31.8116 178.7314 1863 I 3.7876 7.7076 119.9320 64.3658 37.1733 177.9768 1864 F 4.2375 8.9247 122.0636 61.8906 39.1437 176.9812 1865 D 4.3187 8.5580 118.3978 56.8883 40.4554 178.4487 1866 F 4.1084 8.5073 121.1940 61.2861 39.5435 176.0980 1867 Y 4.1234 8.3910 119.3956 60.6761 38.5589 178.2471 1868 K 3.2573 7.3991 119.0796 59.4567 31.9452 178.8779 1869 Q 3.8600 7.5639 118.1614 58.4407 28.7287 177.4959 1870 N 4.5811 7.0636 115.0523 51.7597 39.3875 175.0026 1871 K 3.9141 6.8632 120.3878 56.4616 32.6803 176.6495 1872 T 4.4205 8.1120 120.3446 62.2762 71.1322 175.6323 1873 S 4.3170 8.5244 125.7924 57.8506 63.6593 170.3611 1874 R 3.9319 9.0620 118.6077 60.2019 28.8972 172.8796 1875 D 4.7966 7.7237 121.8688 51.3341 39.7434 172.7803 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 *1853 H 8.44 4.72 0.00 2.95 3.05 0.00 7.16 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1854 M 7.80 4.23 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.74 0.00 1855 G 8.13 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 0.00 0.00 0.00 1856 K 8.17 3.96 0.00 2.01 2.12 0.00 1.52 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.65 1.52 7.81 1857 V 7.80 3.54 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.94 0.00 0.00 1858 Y 7.98 4.12 0.00 3.15 3.24 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 0.00 1859 A 8.33 3.77 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 1860 A 8.16 3.97 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 1861 L 8.08 3.92 0.00 1.81 1.74 0.89 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 1862 M 7.64 4.00 0.00 1.94 2.06 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 1863 I 7.71 3.79 2.04 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.54 1.01 0.00 0.00 1864 F 8.92 4.24 0.00 3.13 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1865 D 8.56 4.32 0.00 2.86 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1866 F 8.51 4.11 0.00 3.05 3.29 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 1867 Y 8.39 4.12 0.00 3.10 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1868 K 7.40 3.26 0.00 1.73 1.63 0.00 1.52 0.00 0.00 1.44 0.00 0.00 2.84 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.22 1.17 7.81 1869 Q 7.56 3.86 0.00 1.85 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.10 0.00 0.00 0.00 0.00 0.00 2.14 2.28 0.00 1870 N 7.06 4.58 0.00 2.41 2.54 0.00 0.00 7.03 8.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1871 K 6.86 3.91 0.00 1.60 1.55 0.00 1.28 0.00 0.00 1.43 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.19 0.51 7.81 1872 T 8.11 4.42 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 1.18 0.00 0.00 1873 S 8.52 4.32 0.00 3.63 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1874 R 9.06 3.93 0.00 1.82 1.79 0.00 3.25 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 1875 D 7.72 4.80 0.00 2.73 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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.