NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3806 8.3049 120.3283 54.5297 33.3692 174.6281 2 K 3.6921 8.3375 120.0677 56.7018 32.1038 174.6756 3 R 4.7096 8.4207 125.6069 55.1328 33.5255 175.0260 4 T 4.0993 8.5068 111.3485 63.7244 67.8465 175.0405 5 W 4.9417 8.1549 130.8534 56.2375 30.5026 175.3986 6 Q 4.2668 7.5880 125.8842 52.1052 28.2277 172.6400 7 P 3.2606 0.0000 0.0000 62.8399 32.3608 176.3574 8 N 4.6595 7.9550 119.1055 51.6090 42.2681 175.3504 9 R 3.9491 8.5889 127.5139 59.3029 30.3389 178.7530 10 R 3.8751 7.9585 118.0603 59.3383 30.0524 178.2254 11 K 3.9188 7.9463 118.7904 59.4225 32.2823 178.4676 12 R 3.9656 8.1249 118.6772 59.5797 30.1994 178.4219 13 A 4.0813 8.2207 120.5877 55.0300 18.2323 179.5329 14 K 3.9719 8.8769 118.1152 59.1181 32.2020 178.2376 15 T 4.2870 7.5298 114.6307 65.2134 69.4195 175.2929 16 H 4.7562 8.3821 114.8767 55.1638 29.4761 175.6308 17 G 4.3760 7.8131 109.0870 44.8600 0.0000 174.5222 18 F 3.9759 8.9677 121.1966 61.3361 39.6332 177.2314 19 R 4.0692 8.2721 116.7894 59.2781 30.0323 178.4322 20 A 3.9694 8.1531 119.9818 55.7035 18.2567 179.8327 21 R 3.9487 8.2541 116.4754 59.3759 29.8656 178.8023 22 M 4.1069 7.6774 117.0302 57.0023 32.0586 178.7044 23 R 3.9931 7.2575 117.0114 58.4124 30.9266 176.8738 24 T 4.2429 7.3291 113.5037 60.4337 68.6529 173.3543 25 P 4.3174 0.0000 0.0000 65.9170 31.2390 178.7841 26 G 3.7962 8.0228 105.1113 47.6390 0.0000 175.7146 27 G 4.1444 7.8148 109.2172 46.9863 0.0000 175.4770 28 R 3.8614 8.1595 121.2685 58.9541 30.0397 179.1440 29 K 3.8788 7.9192 117.6432 59.5478 32.0811 179.0143 30 V 3.5372 7.5623 117.9843 66.3889 31.3238 177.7822 31 L 3.9313 7.8427 117.9507 57.8434 41.4962 179.2513 32 K 3.8136 8.4682 119.6766 59.8929 31.9970 178.8087 33 R 3.8911 8.2407 118.0863 59.4185 30.1192 179.0050 34 R 3.9700 8.4192 118.1841 59.4658 30.0335 179.3286 35 R 3.9396 8.4973 117.9052 59.4747 29.9633 179.0166 36 Q 3.9855 8.0902 117.7429 58.6346 29.0324 177.5685 37 K 4.2434 8.4143 119.9557 56.8215 32.3308 177.3427 38 G 3.9815 8.0302 106.5548 45.6491 0.0000 173.6471 39 R 4.0328 7.6871 117.8514 56.2751 30.4273 177.3651 40 W 4.6243 8.7210 120.9103 58.7398 29.8961 177.0050 41 R 4.6626 7.6175 117.0828 53.0068 30.1593 175.1436 42 L 4.0615 8.3814 121.4605 57.3944 42.2108 178.2002 43 T 4.7331 7.3236 111.7753 60.4768 71.9324 171.9462 44 P 4.1286 0.0000 0.0000 63.1159 31.7129 175.9907 45 A 4.2893 8.5427 126.5935 51.8310 19.1147 176.7048 46 V 4.5856 8.1269 121.7187 61.2395 34.7953 174.1531 47 R 4.8153 8.2565 121.6537 54.7228 32.5463 174.1823 48 K 4.3409 8.2631 118.3264 56.6899 35.0593 176.4445 *49 R 4.1254 8.4902 118.1644 56.6445 30.0213 175.5562 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 M 8.30 4.38 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.64 0.00 2 K 8.34 3.69 0.00 1.83 1.81 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.52 7.81 3 R 8.42 4.71 0.00 1.84 1.95 0.00 3.39 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.57 0.00 4 T 8.51 4.10 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 1.27 0.00 0.00 5 W 8.15 4.94 0.00 3.31 3.04 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 0.00 0.00 0.00 6 Q 7.59 4.27 0.00 1.83 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.59 0.00 0.00 0.00 0.00 0.00 2.17 2.21 0.00 7 P 0.00 3.26 0.00 1.88 1.96 0.00 3.42 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.61 0.00 8 N 7.95 4.66 0.00 2.61 2.44 0.00 0.00 7.23 7.65 0.00 0.00 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 R 8.59 3.95 0.00 1.90 1.98 0.00 3.20 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 10 R 7.96 3.88 0.00 1.87 1.92 0.00 3.18 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 11 K 7.95 3.92 0.00 1.86 1.92 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.55 7.81 12 R 8.12 3.97 0.00 2.19 2.13 0.00 3.56 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.91 0.00 13 A 8.22 4.08 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.88 3.97 0.00 1.93 1.85 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.53 7.81 15 T 7.53 4.29 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 0.89 0.00 0.00 16 H 8.38 4.76 0.00 3.15 3.35 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.81 4.38 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 0.00 0.00 0.00 18 F 8.97 3.98 0.00 3.07 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.27 4.07 0.00 1.95 2.02 0.00 3.28 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.87 0.00 20 A 8.15 3.97 1.39 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 0.00 0.00 21 R 8.25 3.95 0.00 1.74 1.86 0.00 3.10 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.86 0.00 22 M 7.68 4.11 0.00 1.88 2.08 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 23 R 7.26 3.99 0.00 1.81 1.97 0.00 3.15 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 24 T 7.33 4.24 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 25 P 0.00 4.32 0.00 2.29 2.29 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 26 G 8.02 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.81 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.16 3.86 0.00 1.96 1.97 0.00 3.11 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.88 0.00 29 K 7.92 3.88 0.00 1.95 1.86 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.59 7.81 30 V 7.56 3.54 2.24 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 0.94 0.00 0.00 0.98 0.00 0.00 31 L 7.84 3.93 0.00 1.92 1.71 0.57 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.47 3.81 0.00 1.99 1.85 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.52 7.81 33 R 8.24 3.89 0.00 2.01 1.96 0.00 3.20 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 34 R 8.42 3.97 0.00 1.83 2.04 0.00 3.21 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 35 R 8.50 3.94 0.00 1.98 2.01 0.00 3.17 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 36 Q 8.09 3.99 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 37 K 8.41 4.24 0.00 1.83 1.97 0.00 1.86 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.45 7.81 38 G 8.03 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 39 R 7.69 4.03 0.00 1.98 1.95 0.00 3.30 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 40 W 8.72 4.62 0.00 3.31 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 41 R 7.62 4.66 0.00 1.88 1.87 0.00 3.28 0.00 0.00 3.41 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 42 L 8.38 4.06 0.00 1.78 1.89 1.05 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.32 4.73 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 44 P 0.00 4.13 0.00 2.11 2.06 0.00 3.89 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 45 A 8.54 4.29 1.28 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 0.00 0.00 0.00 46 V 8.13 4.59 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.03 0.00 0.00 47 R 8.26 4.82 0.00 1.90 1.84 0.00 3.15 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 48 K 8.26 4.34 0.00 1.85 1.79 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.37 7.81 *49 R 8.49 4.13 0.00 1.60 1.79 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.