NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8955 8.2133 109.7234 44.9612 0.0000 176.5612 3 K 4.0192 8.5772 122.1410 55.6994 31.0005 175.9230 4 G 3.9922 9.1991 105.7094 46.0905 0.0000 174.6416 5 D 4.5888 7.7804 120.9879 53.4258 38.4898 176.5906 6 R 3.4637 7.7903 120.6660 58.3808 30.7495 177.5083 7 R 3.4244 7.5878 114.9736 55.8351 30.3521 175.5335 8 T 4.5192 7.9396 109.6037 59.1629 70.7036 173.5257 9 R 3.8601 8.0180 121.4491 58.0338 29.9932 178.7994 10 R 3.5040 7.3707 112.3009 58.6391 31.8627 179.2728 11 G 4.0045 8.4942 104.9936 47.7946 0.0000 175.1414 12 K 3.8786 8.2846 122.9473 59.4905 32.1211 178.2148 13 I 3.5854 8.0750 120.0232 64.4759 36.8530 177.5636 14 W 4.1181 8.2390 127.4349 61.1783 30.5529 177.4366 15 R 4.1261 8.0722 117.8179 57.4742 30.6428 176.5605 16 G 3.7165 8.7924 105.8047 44.4616 0.0000 172.7384 17 T 3.9774 6.8064 105.1370 61.6692 72.0285 172.9388 18 Y 4.7737 8.6610 121.2520 57.4902 40.7618 176.4423 19 G 4.0025 8.4038 115.2459 46.0238 0.0000 174.9753 20 K 4.0863 9.0757 124.5646 58.9944 32.2958 177.3960 21 Y 4.3195 8.2026 112.5261 58.2959 37.8789 176.3005 22 R 4.5930 7.6589 121.6128 54.8188 31.3367 171.6345 23 P 4.5884 0.0000 0.0000 62.1399 32.3156 177.8443 24 R 3.3131 8.1741 123.7215 55.9165 28.2877 176.2355 25 K 3.3232 7.5417 123.7623 56.7256 32.8812 175.3220 *26 K 4.1330 8.4043 118.1657 54.9650 32.3269 171.3412 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 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.58 4.02 0.00 1.58 1.49 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.45 7.81 4 G 9.20 3.99 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 0.00 0.00 0.00 5 D 7.78 4.59 0.00 2.87 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 7.79 3.46 0.00 1.76 2.00 0.00 3.23 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 7 R 7.59 3.42 0.00 1.40 0.89 0.00 3.03 0.00 0.00 3.05 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.39 0.00 8 T 7.94 4.52 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 1.20 0.00 0.00 9 R 8.02 3.86 0.00 1.96 1.86 0.00 3.31 0.00 0.00 3.39 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 10 R 7.37 3.50 0.00 1.93 1.85 0.00 3.22 0.00 0.00 3.36 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 11 G 8.49 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 3.88 0.00 2.28 1.82 0.00 1.60 0.00 0.00 1.82 0.00 0.00 3.27 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.82 7.81 13 I 8.08 3.59 2.01 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 0.74 0.87 0.00 0.00 14 W 8.24 4.12 0.00 3.25 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 4.13 0.00 2.03 2.19 0.00 3.40 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 16 G 8.79 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 6.81 3.98 4.30 0.00 0.00 0.00 0.00 0.00 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 8.66 4.77 0.00 2.84 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.08 4.09 0.00 1.79 1.77 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.71 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.93 1.26 7.81 21 Y 8.20 4.32 0.00 3.02 3.08 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 0.00 0.00 0.00 0.00 22 R 7.66 4.59 0.00 1.91 2.04 0.00 3.13 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.80 0.00 23 P 0.00 4.59 0.00 2.07 1.94 0.00 3.77 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 24 R 8.17 3.31 0.00 1.55 1.62 0.00 3.28 0.00 0.00 3.01 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.50 0.00 25 K 7.54 3.32 0.00 1.74 1.66 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.38 7.81 *26 K 8.40 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.