NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.4062 8.2629 120.3488 55.6238 33.9729 177.9586 3 K 4.0044 7.7576 117.9016 54.7890 32.2586 178.5850 *5 I 4.2739 8.2303 122.8494 63.0199 39.7319 180.4684 6 E 4.3454 7.8651 113.5047 56.0365 29.0093 180.1854 *8 K 4.4691 8.2237 121.3555 57.5204 33.8975 178.9835 9 L 4.2377 7.9543 116.0075 55.2993 41.1038 178.2622 *11 E 4.4604 8.3680 119.0909 56.7686 31.1220 180.5437 12 I 4.1800 7.4886 119.0696 61.0319 36.4013 177.6842 *14 S 4.6441 8.2204 116.5615 58.4206 64.7527 174.5425 15 K 4.3457 7.7801 119.4820 56.8383 32.0402 177.8836 *17 Y 4.7902 7.8768 119.9139 58.0936 40.3876 177.5213 18 H 3.8489 8.2273 117.9718 56.4834 30.1865 176.1676 *20 E 4.3686 8.4037 117.6806 56.0291 31.0934 178.3300 21 N 4.5514 7.3490 116.1723 53.5330 38.8359 175.7612 *23 L 4.2837 8.1304 119.7194 54.9986 43.8190 178.7912 24 A 4.2588 7.7233 117.6923 52.8183 17.9097 178.4278 *26 I 4.2597 7.9403 121.2259 63.0793 38.8533 180.1850 27 K 4.3730 8.4199 119.4411 56.2999 31.0383 178.4564 *29 L 4.4193 8.0548 120.1124 54.7308 44.1542 178.2779 30 L 3.7793 8.3174 117.9857 56.3393 40.7296 177.3112 *32 E 4.0438 8.6995 123.5050 56.9154 31.4511 175.8828 33 R 4.1637 8.4452 120.8602 56.5519 29.5451 176.7557 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 4.41 0.00 2.11 2.12 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 2.60 0.00 3 K 7.76 4.00 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 1.35 1.09 7.81 *5 I 8.23 4.27 2.02 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 1.27 0.52 0.91 0.00 0.00 6 E 7.87 4.35 0.00 2.01 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 2.16 0.00 *8 K 8.22 4.47 0.00 1.99 1.92 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.47 7.81 9 L 7.95 4.24 0.00 1.80 1.69 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 *11 E 8.37 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 7.49 4.18 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 1.35 0.56 0.92 0.00 0.00 *14 S 8.22 4.64 0.00 4.10 4.20 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 7.78 4.35 0.00 1.89 1.85 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.69 1.50 7.81 *17 Y 7.88 4.79 0.00 3.09 3.22 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 0.00 0.00 0.00 0.00 18 H 8.23 3.85 0.00 3.13 3.41 0.00 5.84 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *20 E 8.40 4.37 0.00 2.10 2.02 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 2.38 0.00 21 N 7.35 4.55 0.00 1.82 2.40 0.00 0.00 6.99 8.35 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 8.13 4.28 0.00 1.76 1.84 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.72 4.26 1.30 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 7.94 4.26 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.77 0.90 0.00 0.00 27 K 8.42 4.37 0.00 1.88 2.00 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.50 7.81 *29 L 8.05 4.42 0.00 1.80 1.76 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.32 3.78 0.00 1.73 1.61 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 *32 E 8.70 4.04 0.00 1.95 1.88 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 2.19 2.31 0.00 33 R 8.45 4.16 0.00 1.87 1.68 0.00 3.35 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 * Residues marked with a * may have inaccurate shift predictions.