NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.4614 8.1627 120.3266 55.4904 34.0329 176.7765 3 K 4.2060 7.8068 117.6847 56.5769 32.3011 176.3787 *5 I 4.2341 8.0868 118.2150 61.0721 39.6935 179.1290 6 E 4.3328 8.0368 119.3952 56.2527 29.0749 178.1214 *8 K 4.4308 8.2746 117.6304 56.2081 33.9018 179.4898 9 L 4.0297 7.9420 117.5158 54.9105 41.0757 178.3003 *11 E 4.4457 8.3522 119.8727 56.6614 31.3347 177.4565 12 I 4.1058 7.4200 118.3985 61.8316 37.6156 177.3222 *14 S 4.5835 8.2431 115.8392 58.5141 63.8630 175.7325 15 K 4.4902 7.7939 118.2318 57.0148 31.6942 178.1042 *17 Y 4.5415 7.9894 119.8513 58.1462 40.2855 176.6079 18 H 4.7210 8.1586 114.8305 56.5396 29.3082 177.1086 *20 E 4.3578 8.2949 118.9877 56.6928 31.0751 178.3805 21 N 4.6857 7.7338 114.1535 53.8164 39.1636 176.9551 *23 L 4.3316 8.1484 118.8032 55.0301 43.5069 180.1391 24 A 4.3139 7.7851 118.4745 52.6805 17.9852 178.6911 *26 I 4.2248 7.9572 121.1559 63.0611 38.8531 179.7833 27 K 3.9645 8.0113 119.2789 56.5211 31.2706 177.7281 *29 L 4.3748 8.0393 118.5407 54.0310 43.5408 177.0479 30 L 4.2192 7.7553 121.5960 54.8951 41.6085 176.4418 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 M 8.16 4.46 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.48 0.00 3 K 7.81 4.21 0.00 2.05 1.79 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.09 7.81 *5 I 8.09 4.23 2.06 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 0.53 0.91 0.00 0.00 6 E 8.04 4.33 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 *8 K 8.27 4.43 0.00 2.05 1.88 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.59 1.47 7.81 9 L 7.94 4.03 0.00 1.77 1.69 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 *11 E 8.35 4.45 0.00 2.28 2.05 0.00 0.00 0.00 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 2.34 0.00 12 I 7.42 4.11 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 1.19 0.60 0.93 0.00 0.00 *14 S 8.24 4.58 0.00 3.89 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 15 K 7.79 4.49 0.00 1.98 1.85 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.75 1.54 7.81 *17 Y 7.99 4.54 0.00 3.05 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.72 0.00 3.29 3.33 0.00 5.74 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *20 E 8.29 4.36 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 21 N 7.73 4.69 0.00 2.34 2.58 0.00 0.00 6.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *23 L 8.15 4.33 0.00 1.84 1.73 0.91 0.95 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 24 A 7.79 4.31 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.96 4.22 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.76 0.90 0.00 0.00 27 K 8.01 3.96 0.00 1.81 1.91 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.40 7.81 *29 L 8.04 4.37 0.00 1.88 1.75 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.76 4.22 0.00 1.81 1.56 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.