NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8457 8.2133 109.7227 45.4540 0.0000 175.6134 3 K 3.9592 8.5999 123.4392 56.8874 31.6266 175.6759 4 G 3.6927 7.8775 109.6288 46.1885 0.0000 173.1213 5 D 4.3515 7.8309 119.1965 54.0130 40.8431 176.2357 6 R 4.0085 8.8277 127.2728 59.7081 30.1836 179.2075 7 R 4.1340 7.6271 115.2887 56.3698 29.6160 176.0027 8 T 4.6884 7.9222 107.3032 58.8432 72.3883 174.6283 9 R 3.9498 8.4980 120.5890 59.2731 30.0438 178.1306 10 R 4.2864 7.9786 117.2300 58.1990 30.8340 178.6095 11 G 4.3072 8.2795 106.4889 46.2938 0.0000 175.3555 12 K 4.0279 7.8566 121.7865 59.0932 32.3332 178.2190 13 I 3.6372 7.3188 119.9014 63.6330 36.8261 177.7567 14 W 4.0450 8.1923 130.2830 60.5164 30.6773 176.9228 15 R 3.6775 7.6122 113.7318 54.9114 29.4367 175.7496 16 G 3.9763 8.3970 104.7475 46.8309 0.0000 173.0455 17 T 4.8179 7.4930 106.0044 59.8437 72.2913 172.1926 18 Y 4.8217 8.3353 118.2969 56.6399 41.5984 176.1046 19 G 4.1456 8.1060 108.1729 45.2892 0.0000 173.3320 20 K 3.7601 8.9348 119.6107 59.3188 32.1169 178.0057 21 Y 4.5515 7.6703 113.6933 57.2736 38.4871 176.0665 22 R 4.5969 7.4132 114.7403 55.5563 32.1798 171.8000 23 P 4.6735 0.0000 0.0000 62.2593 32.7066 178.3571 24 R 4.0488 8.1923 119.4838 56.2994 28.1189 177.4222 25 K 3.3798 8.1742 125.4500 56.9124 32.7217 175.5592 *26 K 4.1330 8.3687 118.5543 54.8640 32.3269 171.6778 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 8.60 3.96 0.00 1.28 1.57 0.00 1.41 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.34 7.81 4 G 7.88 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 4.35 0.00 2.63 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 8.83 4.01 0.00 1.91 2.02 0.00 3.20 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.71 0.00 7 R 7.63 4.13 0.00 1.51 1.11 0.00 2.98 0.00 0.00 3.12 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.45 0.00 8 T 7.92 4.69 4.21 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 1.11 0.00 0.00 9 R 8.50 3.95 0.00 1.99 1.99 0.00 3.23 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 10 R 7.98 4.29 0.00 1.88 1.95 0.00 3.15 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 11 G 8.28 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 4.03 0.00 2.11 1.73 0.00 1.56 0.00 0.00 1.90 0.00 0.00 3.14 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.71 7.81 13 I 7.32 3.64 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.97 0.93 0.00 0.00 14 W 8.19 4.04 0.00 3.21 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 7.61 3.68 0.00 2.05 1.86 0.00 3.61 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.22 0.00 16 G 8.40 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.49 4.82 4.28 0.00 0.00 0.00 0.00 0.00 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 18 Y 8.34 4.82 0.00 2.86 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.11 4.15 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 0.00 0.00 0.00 20 K 8.93 3.76 0.00 1.61 1.66 0.00 1.56 0.00 0.00 1.05 0.00 0.00 2.17 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.82 1.22 7.81 21 Y 7.67 4.55 0.00 3.01 2.96 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 22 R 7.41 4.60 0.00 1.76 1.79 0.00 2.96 0.00 0.00 2.56 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 23 P 0.00 4.67 0.00 2.11 2.00 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.33 0.00 24 R 8.19 4.05 0.00 1.67 1.76 0.00 3.24 0.00 0.00 2.96 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.92 0.00 25 K 8.17 3.38 0.00 1.84 1.78 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.43 7.81 *26 K 8.37 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.15 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.