NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.5043 8.2033 118.3681 59.9186 31.0622 175.3591 2 R 3.8037 9.2304 122.9952 56.4184 27.9894 175.8279 3 K 4.4580 9.5249 121.0862 56.3524 35.4557 174.5686 4 A 4.3461 8.3855 121.1425 50.0890 20.1898 178.0377 5 G 3.7016 8.5485 111.4607 48.7699 0.0000 173.8421 6 V 3.6844 7.7247 118.5795 64.3298 31.8660 175.9468 7 G 3.8054 7.6756 107.1734 46.3478 0.0000 172.5273 8 Q 3.5439 8.0467 122.2527 55.2594 24.7802 173.8513 *10 W 4.9083 7.5167 117.4119 55.3161 30.4821 176.8548 11 K 4.4778 6.7223 116.2845 55.4935 34.1686 176.2227 12 E 2.8522 6.8163 117.9790 56.6170 29.6129 177.4000 13 N 4.4322 8.3510 119.4846 55.7997 39.1261 176.2746 14 S 4.3626 7.6414 113.4116 57.4331 63.7277 172.6267 15 P 4.2294 0.0000 0.0000 63.5474 31.5048 177.1749 16 L 3.3576 8.8601 116.4825 56.0796 39.3016 173.3443 17 N 4.2339 8.0848 113.6703 54.8583 36.5523 175.5078 18 V 3.6474 7.7203 118.5831 65.5239 31.9812 175.5017 19 S 4.2527 8.0209 117.5568 58.5398 62.1352 173.4277 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 C 8.20 4.50 0.00 3.03 2.98 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 2 R 9.23 3.80 0.00 2.09 1.81 0.00 3.34 0.00 0.00 3.21 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 3 K 9.52 4.46 0.00 1.67 1.69 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.35 7.81 4 A 8.39 4.35 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.55 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.72 3.68 2.22 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 0.83 0.00 0.00 1.00 0.00 0.00 7 G 7.68 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.05 3.54 0.00 2.24 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 *10 W 7.52 4.91 0.00 3.53 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 6.72 4.48 0.00 2.04 1.88 0.00 1.96 0.00 0.00 1.87 0.00 0.00 3.20 0.00 0.00 3.49 0.00 0.00 0.00 0.00 1.52 1.89 7.81 12 E 6.82 2.85 0.00 1.44 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 1.47 1.47 0.00 13 N 8.35 4.43 0.00 2.69 2.86 0.00 0.00 7.14 7.73 0.00 0.00 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 S 7.64 4.36 0.00 3.78 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.23 0.00 2.18 2.27 0.00 3.81 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.92 0.00 16 L 8.86 3.36 0.00 1.83 1.77 0.87 0.68 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 17 N 8.08 4.23 0.00 2.87 2.97 0.00 0.00 7.04 7.70 0.00 0.00 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 V 7.72 3.65 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 0.71 0.00 0.00 0.93 0.00 0.00 19 S 8.02 4.25 0.00 3.85 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 * Residues marked with a * may have inaccurate shift predictions.