NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.3966 8.2629 120.3489 55.5262 34.1245 176.9364 3 K 4.2252 7.8584 118.6832 54.7105 31.9893 179.7980 *5 I 4.2681 8.2478 122.9619 63.1463 39.6369 179.6941 6 E 4.3451 7.9869 112.1755 56.3665 29.0722 179.9115 *8 K 4.4880 8.2007 121.2750 57.5614 33.8512 178.7324 9 L 4.3951 7.7867 117.2424 55.0574 41.2565 178.2098 *11 E 4.4514 8.3482 119.8821 56.6799 31.3114 177.5755 12 I 4.2912 7.5509 118.2970 61.9576 37.5695 177.6771 *14 S 4.6568 8.2648 117.0825 58.8642 64.5313 178.2192 15 K 4.3904 7.8627 118.3233 56.6931 31.2545 178.2432 *17 Y 4.4822 7.9789 119.7754 58.2099 40.2822 177.1684 18 H 4.5960 8.1859 114.9548 56.3298 28.9431 176.7592 *20 E 4.3044 8.3853 120.8419 56.3637 30.9106 177.2302 21 N 4.7346 7.4784 113.7950 53.6511 39.2781 176.7798 *23 L 4.3306 8.1238 118.7110 55.0228 43.5290 180.2953 24 A 4.3274 7.7488 118.6748 52.6267 17.9785 178.7658 *26 I 4.2308 7.9617 121.0471 63.0486 38.8760 180.2503 27 K 4.2645 7.9509 120.2529 56.2533 31.1868 177.8045 *29 L 4.3726 8.0416 118.5617 54.0433 43.6014 177.1255 30 L 4.2295 7.8822 121.6708 54.8706 41.6222 176.3835 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 4.40 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.61 0.00 3 K 7.86 4.23 0.00 1.90 1.66 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.09 7.81 *5 I 8.25 4.27 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 1.28 0.40 0.91 0.00 0.00 6 E 7.99 4.35 0.00 2.00 1.83 0.00 0.00 0.00 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 2.15 0.00 *8 K 8.20 4.49 0.00 1.97 1.93 0.00 1.65 0.00 0.00 1.93 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.42 7.81 9 L 7.79 4.40 0.00 1.82 1.69 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 *11 E 8.35 4.45 0.00 2.25 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 2.35 0.00 12 I 7.55 4.29 2.04 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 1.31 0.61 0.92 0.00 0.00 *14 S 8.26 4.66 0.00 4.16 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 15 K 7.86 4.39 0.00 1.93 1.87 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.74 1.54 7.81 *17 Y 7.98 4.48 0.00 3.09 3.12 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 0.00 0.00 0.00 18 H 8.19 4.60 0.00 3.29 3.34 0.00 5.74 0.00 0.00 0.00 0.00 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *20 E 8.39 4.30 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.27 0.00 21 N 7.48 4.73 0.00 2.31 2.56 0.00 0.00 5.88 6.59 0.00 0.00 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 8.12 4.33 0.00 1.86 1.72 0.90 0.90 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 7.75 4.33 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 4.23 2.01 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 0.91 0.90 0.00 0.00 27 K 7.95 4.26 0.00 1.75 2.01 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.92 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 1.89 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 7.88 4.23 0.00 1.76 1.56 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.