NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3614 8.1133 119.7067 56.6422 32.4316 177.5350 2 M 4.2911 7.6792 116.9362 55.2231 31.4211 176.7965 *4 Q 4.2744 9.0315 120.4086 56.2338 32.0211 176.8852 5 I 3.8608 8.1097 118.7009 64.5292 37.4611 179.3749 6 E 4.3138 8.1827 120.6730 56.2111 28.7513 178.7036 *8 K 4.2851 8.1802 117.9053 56.0311 34.1424 177.6254 9 L 4.1407 8.0834 118.6587 57.5611 41.9083 178.4354 10 E 4.3483 8.0624 118.4315 56.7425 29.2035 178.5049 *12 I 4.0749 7.9037 118.5785 60.8233 39.1848 176.9995 13 L 4.0037 8.2172 122.2041 58.1965 42.2511 179.8174 14 S 4.6634 8.1374 112.3388 58.4767 61.5753 175.7268 *16 L 4.2373 8.0281 120.0134 54.5392 43.4929 178.1760 17 Y 4.3336 8.1614 116.4635 61.2803 38.1825 177.6850 18 H 4.5896 8.2322 119.5575 56.3614 29.4287 176.9611 *20 E 4.2717 8.4769 120.9653 56.7367 31.0096 178.0163 21 N 4.5678 8.2800 115.6690 55.3199 38.1339 178.4505 22 E 4.0080 7.9364 119.6259 56.0633 28.8133 178.6168 *24 A 4.2549 7.9342 122.4016 52.3471 20.9528 179.1316 25 R 4.1193 7.7471 114.1769 59.4144 30.6011 178.0676 26 I 3.9266 7.8402 119.2725 61.4817 37.2752 177.9961 *28 K 4.2015 8.1373 122.1827 56.5411 33.8185 176.5641 29 L 4.2060 7.6445 117.1559 56.6830 41.7245 177.8114 30 L 4.3839 8.0445 119.0248 55.7225 43.6182 176.9311 *32 E 4.1515 8.0942 118.3341 56.0122 30.3597 179.9815 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 R 8.11 4.36 0.00 1.89 2.05 0.00 3.09 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 2 M 7.68 4.29 0.00 2.16 2.07 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 2.69 2.62 0.00 *4 Q 9.03 4.27 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.71 7.06 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 5 I 8.11 3.86 2.09 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 1.18 0.69 0.91 0.00 0.00 6 E 8.18 4.31 0.00 2.09 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 2.31 2.29 0.00 *8 K 8.18 4.29 0.00 1.96 1.90 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.51 1.42 7.81 9 L 8.08 4.14 0.00 1.88 1.71 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.06 4.35 0.00 2.22 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 2.33 2.36 0.00 *12 I 7.90 4.07 2.01 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 0.66 0.89 0.00 0.00 13 L 8.22 4.00 0.00 1.81 1.91 0.71 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.14 4.66 0.00 3.99 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *16 L 8.03 4.24 0.00 1.64 1.55 0.84 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.16 4.33 0.00 3.22 2.97 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 0.00 0.00 0.00 0.00 18 H 8.23 4.59 0.00 3.25 3.30 0.00 5.63 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *20 E 8.48 4.27 0.00 2.34 2.12 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 2.22 2.47 0.00 21 N 8.28 4.57 0.00 2.67 2.82 0.00 0.00 7.10 6.96 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 22 E 7.94 4.01 0.00 1.97 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 2.29 2.26 0.00 *24 A 7.93 4.25 1.31 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 25 R 7.75 4.12 0.00 2.11 1.98 0.00 3.39 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 26 I 7.84 3.93 1.94 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 1.18 0.59 0.91 0.00 0.00 *28 K 8.14 4.20 0.00 1.74 2.04 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.47 7.81 29 L 7.64 4.21 0.00 1.82 1.71 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.04 4.38 0.00 1.70 1.69 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 *32 E 8.09 4.15 0.00 1.73 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 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.