NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.4430 8.2629 120.3266 55.5285 34.0043 178.1102 3 K 4.2662 7.8276 117.5304 54.7296 31.6539 178.4518 *5 I 4.2882 8.0104 121.1461 62.4404 39.7628 179.1133 6 E 4.3941 8.0488 120.3733 56.2152 29.2618 178.1852 *8 K 4.4165 8.2446 117.9562 56.3510 33.9954 179.3806 9 L 4.2428 7.7677 115.7029 55.1924 41.0464 178.1651 *11 E 4.4613 8.3626 120.0045 56.7418 31.1922 178.9574 12 I 4.0349 7.5050 118.7207 61.4312 36.8245 177.4132 *14 S 4.6225 8.2588 116.0921 58.5193 63.8597 175.8099 15 K 4.4420 7.8278 118.4872 56.8948 31.3930 178.0791 *17 Y 4.4379 7.9024 119.6937 58.2092 40.3330 177.3537 18 H 4.6359 8.3319 115.4197 56.3543 28.7134 177.1655 *20 E 4.3288 8.3383 119.1262 56.5751 31.0477 178.3450 21 N 4.6799 7.6090 113.9559 53.6475 39.3705 176.9013 *23 L 4.3334 8.1134 118.8991 54.9978 43.5389 180.4425 24 A 4.3045 7.8247 119.3988 52.4623 17.8435 178.8498 *26 I 4.2088 7.9664 120.9386 63.0713 38.8826 180.0332 27 K 3.7788 8.1258 118.1772 56.7159 31.1802 177.5196 *29 L 4.3464 7.9317 118.8090 53.5185 43.5881 176.9704 30 L 4.2852 7.7928 122.2572 54.7292 41.7061 176.1014 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 8.26 4.44 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 2.49 0.00 3 K 7.83 4.27 0.00 1.86 1.68 0.00 1.84 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 1.36 1.09 7.81 *5 I 8.01 4.29 2.05 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 0.57 0.91 0.00 0.00 6 E 8.05 4.39 0.00 2.02 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 2.42 0.00 *8 K 8.24 4.42 0.00 2.02 1.88 0.00 1.74 0.00 0.00 1.90 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.42 7.81 9 L 7.77 4.24 0.00 1.83 1.70 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 *11 E 8.36 4.46 0.00 2.26 2.04 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 2.30 2.35 0.00 12 I 7.51 4.03 2.06 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 0.63 0.92 0.00 0.00 *14 S 8.26 4.62 0.00 3.91 4.10 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 4.44 0.00 1.98 1.85 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.71 1.54 7.81 *17 Y 7.90 4.44 0.00 3.08 3.05 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 0.00 0.00 0.00 18 H 8.33 4.64 0.00 3.28 3.37 0.00 5.74 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *20 E 8.34 4.33 0.00 2.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 21 N 7.61 4.68 0.00 2.27 2.57 0.00 0.00 5.66 6.49 0.00 0.00 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 8.11 4.33 0.00 1.85 1.72 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.82 4.30 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 4.21 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 0.55 0.90 0.00 0.00 27 K 8.13 3.78 0.00 1.77 1.95 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.40 7.81 *29 L 7.93 4.35 0.00 1.86 1.75 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.79 4.29 0.00 1.79 1.55 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.