NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.4723 8.3093 122.8200 57.4049 40.5692 174.5777 2 V 3.4666 7.2271 124.8166 61.1803 31.5928 174.5493 3 N 4.8503 7.9658 121.0763 50.9737 39.1699 174.1603 4 Q 4.4742 7.5992 119.1492 54.6629 31.3866 174.3721 5 H 4.1857 8.7092 116.2011 55.8825 28.8622 175.1872 6 L 4.6866 8.5571 124.7221 53.2317 43.0144 175.5218 7 C 4.9845 8.1008 120.5753 58.3824 33.0271 175.7892 8 G 3.8382 8.3782 110.0641 46.9099 0.0000 177.6088 9 S 4.0325 8.4103 117.2025 60.8261 63.6324 176.3455 10 H 4.1457 7.8396 119.4366 58.4740 28.2353 177.2040 11 L 3.8545 7.7993 121.6794 58.1867 42.0292 178.8385 12 V 3.1782 7.0993 118.0198 66.0842 31.3751 177.6501 13 E 3.9205 8.3139 118.7286 58.9081 29.3342 178.4890 14 A 4.0431 7.8907 120.8955 55.2179 18.4194 179.4059 15 L 3.6008 7.8745 117.7232 57.9657 41.6951 178.9078 16 Y 4.2650 7.3761 119.1834 60.8290 38.4160 178.2269 17 L 3.8940 7.6722 119.2748 58.2936 42.4110 178.7440 18 V 3.6638 7.8091 117.1289 66.1493 31.2182 177.4057 19 C 4.2865 8.6221 116.5044 60.8473 28.0261 174.9541 20 G 3.8711 8.0216 109.1570 46.5673 0.0000 176.1589 21 E 4.1528 8.7601 121.2790 58.4955 29.8292 178.3179 22 R 3.9016 7.5594 117.3365 57.3223 30.2570 177.7019 23 G 3.9221 9.0514 103.8394 44.9781 0.0000 171.4035 24 F 4.9692 7.6011 112.3326 55.6319 40.6119 173.0963 25 F 4.8426 8.2530 115.2265 55.0106 39.9001 173.8110 26 Y 4.7066 8.9505 125.8388 56.1246 39.2522 175.0330 27 T 4.3327 7.9377 117.9345 58.9902 69.1164 171.7798 28 P 4.1073 0.0000 0.0000 64.5512 32.1029 176.5913 29 K 3.5998 8.0455 120.4982 57.8025 31.8558 177.3239 *30 T 4.1515 8.3717 115.2076 60.9346 69.0835 170.5726 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 F 8.31 4.47 0.00 3.00 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 2 V 7.23 3.47 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.83 0.00 0.00 3 N 7.97 4.85 0.00 2.66 2.74 0.00 0.00 6.85 7.08 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 4 Q 7.60 4.47 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.71 0.00 0.00 0.00 0.00 0.00 2.16 2.33 0.00 5 H 8.71 4.19 0.00 3.18 3.30 0.00 5.65 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.56 4.69 0.00 1.64 1.63 1.06 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.10 4.98 0.00 2.97 2.80 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 8 G 8.38 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.41 4.03 0.00 3.88 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 H 7.84 4.15 0.00 3.31 3.37 0.00 5.63 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.80 3.85 0.00 1.89 1.75 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.10 3.18 1.97 0.00 0.00 0.00 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 0.27 0.00 0.00 13 E 8.31 3.92 0.00 2.20 1.92 0.00 0.00 0.00 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 2.47 0.00 14 A 7.89 4.04 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.87 3.60 0.00 0.82 0.52 0.78 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.38 4.26 0.00 3.05 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 17 L 7.67 3.89 0.00 1.76 1.93 0.95 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.81 3.66 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.63 0.00 0.00 19 C 8.62 4.29 0.00 3.21 3.22 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 0.00 20 G 8.02 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.76 4.15 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 22 R 7.56 3.90 0.00 2.12 2.04 0.00 3.23 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 23 G 9.05 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.60 4.97 0.00 3.03 3.01 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 0.00 0.00 0.00 25 F 8.25 4.84 0.00 3.13 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 26 Y 8.95 4.71 0.00 3.18 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.94 4.33 4.25 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 28 P 0.00 4.11 0.00 2.11 1.89 0.00 3.54 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.67 0.00 29 K 8.05 3.60 0.00 1.73 1.83 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.39 7.81 *30 T 8.37 4.15 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 * Residues marked with a * may have inaccurate shift predictions.