NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 T 4.3084 8.1744 115.2433 62.2255 68.5025 172.7297 8 T 4.3971 8.1677 121.1708 59.5373 70.2141 170.5762 9 P 4.1602 0.0000 0.0000 64.2940 32.7959 176.5885 10 D 3.9624 8.4872 120.2895 54.8085 40.2010 172.8979 *12 G 3.8774 8.2229 106.1131 46.3558 0.0000 172.2474 13 H 4.2740 8.0426 119.7672 54.6499 30.8440 172.4321 *15 D 4.4276 8.4941 117.7401 54.4942 41.8601 174.8630 16 D 5.0069 8.6623 123.1080 53.6580 42.1814 176.3934 17 K 4.4688 8.2837 119.6147 58.0227 34.5650 177.6331 18 D 4.1776 9.0370 117.8853 55.5210 40.9769 176.2606 19 T 3.8556 6.7660 113.7639 61.8662 68.0536 172.0745 20 L 4.6137 8.2729 127.4490 53.4749 43.6812 176.5692 21 D 4.8086 8.1591 125.9381 51.4197 38.4652 176.7777 22 L 4.4425 8.1127 121.6498 56.2683 41.2798 177.4642 23 N 5.0115 8.3086 113.8295 52.3699 38.8750 174.0430 24 T 4.5020 7.5025 111.7715 60.4988 70.1522 170.8289 25 P 4.5735 0.0000 0.0000 61.4357 33.0330 173.2061 26 V 3.1649 8.2475 120.4020 62.0347 31.8555 172.3808 27 D 4.8454 8.5413 120.6070 54.1421 43.4255 175.9987 28 K 4.1655 8.0493 122.1930 56.5719 32.1579 176.6019 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 7 T 8.17 4.31 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 8 T 8.17 4.40 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 1.26 0.00 0.00 9 P 0.00 4.16 0.00 2.08 1.99 0.00 3.88 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 10 D 8.49 3.96 0.00 2.77 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.22 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 0.00 0.00 0.00 13 H 8.04 4.27 0.00 3.23 3.11 0.00 5.56 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *15 D 8.49 4.43 0.00 2.76 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.66 5.01 0.00 2.65 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.28 4.47 0.00 1.85 1.99 0.00 1.52 0.00 0.00 2.01 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.36 7.81 18 D 9.04 4.18 0.00 2.77 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 T 6.77 3.86 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 20 L 8.27 4.61 0.00 1.61 1.53 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.16 4.81 0.00 2.84 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.11 4.44 0.00 1.63 1.73 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.31 5.01 0.00 2.73 2.84 0.00 0.00 6.57 7.77 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 24 T 7.50 4.50 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 25 P 0.00 4.57 0.00 2.21 2.04 0.00 3.97 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 26 V 8.25 3.16 2.08 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 0.66 0.00 0.00 0.96 0.00 0.00 27 D 8.54 4.85 0.00 2.64 2.70 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 28 K 8.05 4.17 0.00 1.74 1.72 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.37 7.81 * Residues marked with a * may have inaccurate shift predictions.