NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3207 8.2544 119.7064 56.5099 32.6758 176.5075 2 M 4.0197 7.9756 117.5735 58.0866 32.4831 176.3295 3 K 4.3822 8.5835 118.7697 56.9827 33.1374 178.7374 *5 I 4.0877 7.9437 120.2086 61.6288 39.2270 177.4025 6 E 4.1411 8.2007 119.5393 59.6517 29.6862 179.7409 7 D 4.6124 8.3433 118.0170 54.6341 40.2546 178.4575 *9 L 4.2885 8.0500 120.5841 55.0089 43.8057 178.4806 10 E 4.1090 8.2627 117.9572 59.4377 29.6113 179.0367 11 E 4.0438 8.0352 116.9747 56.6799 28.9986 178.1972 *13 L 4.2763 7.9350 118.9120 54.3876 44.1001 178.6604 14 S 4.0822 8.1796 114.5214 61.1905 63.2688 177.8690 15 K 4.2474 7.8832 123.7379 55.8737 30.9376 178.1097 *17 Y 4.7550 7.9293 117.0953 57.1267 40.3036 175.8978 18 H 4.3086 7.4931 119.6299 59.1731 30.2913 177.3300 19 I 3.9145 7.8908 120.9151 61.6053 36.7603 177.7505 *21 N 4.6588 8.1301 118.6665 53.3340 40.8655 176.1751 22 E 4.0868 8.0705 118.9222 59.0954 29.9746 178.7216 23 L 4.3860 8.1820 117.7658 55.2938 41.1917 179.0771 *25 R 4.2016 8.1103 119.1285 56.6639 31.8115 176.7708 26 I 3.9415 7.9799 118.2855 64.4908 37.2325 180.0375 27 K 4.3915 8.0930 119.7474 56.5377 31.1864 179.2598 *29 L 4.1488 8.0060 120.5867 54.7724 43.3689 177.9619 30 L 4.2248 8.1990 115.7885 54.0595 41.7335 173.1584 31 G 3.7680 7.4352 115.4390 45.2390 0.0000 174.3100 *33 R 4.0917 8.4775 122.6749 56.4559 30.4888 175.5010 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 1 R 8.25 4.32 0.00 1.82 2.06 0.00 3.18 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 2 M 7.98 4.02 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.68 0.00 3 K 8.58 4.38 0.00 1.86 1.80 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.46 7.81 *5 I 7.94 4.09 2.03 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 1.41 0.48 0.91 0.00 0.00 6 E 8.20 4.14 0.00 2.20 1.99 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 2.33 2.42 0.00 7 D 8.34 4.61 0.00 2.69 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.05 4.29 0.00 1.81 1.77 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.26 4.11 0.00 2.24 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 11 E 8.04 4.04 0.00 2.13 1.88 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 2.27 2.25 0.00 *13 L 7.93 4.28 0.00 1.73 1.80 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.18 4.08 0.00 4.01 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.88 4.25 0.00 1.90 1.66 0.00 1.36 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.33 7.81 *17 Y 7.93 4.75 0.00 3.12 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.49 4.31 0.00 2.88 3.30 0.00 5.58 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.89 3.91 1.93 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.67 0.91 0.00 0.00 *21 N 8.13 4.66 0.00 2.88 2.91 0.00 0.00 7.27 7.72 0.00 0.00 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 E 8.07 4.09 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 23 L 8.18 4.39 0.00 1.73 1.65 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 *25 R 8.11 4.20 0.00 1.86 2.22 0.00 3.28 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.72 0.00 26 I 7.98 3.94 1.93 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 1.30 0.56 0.91 0.00 0.00 27 K 8.09 4.39 0.00 1.87 1.82 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.56 7.81 *29 L 8.01 4.15 0.00 1.83 1.77 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.20 4.22 0.00 1.80 1.69 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.44 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 0.00 0.00 0.00 *33 R 8.48 4.09 0.00 1.84 1.90 0.00 3.41 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.