NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3556 8.1133 119.7067 56.5808 32.4229 177.0226 2 M 4.3048 7.7205 116.8131 55.3955 31.5471 176.6844 *4 Q 4.2606 9.0107 120.6308 56.2415 31.9838 176.8783 5 I 3.8770 8.1244 118.6848 64.5043 37.3393 179.7827 6 E 4.3025 8.2016 121.4879 55.9774 28.6418 178.7590 *8 K 4.2933 8.1737 117.9772 56.0648 34.2606 177.6577 9 L 4.1335 8.1832 118.8870 57.6185 41.8527 178.0247 10 E 4.3678 7.9745 118.4784 56.8095 29.4149 178.4691 *12 I 4.0798 7.9068 118.4514 60.8204 39.1588 176.9901 13 L 4.0295 8.2999 122.2787 58.2068 42.2937 179.3540 14 S 4.7067 8.2686 112.3611 58.5682 61.6674 175.6958 *16 L 4.2455 8.0220 120.0835 54.5404 43.3748 178.1964 17 Y 4.2777 8.2001 116.4139 61.1848 38.1680 177.6201 18 H 4.6873 8.1926 119.6184 56.3371 29.4134 177.0108 *20 E 4.3180 8.3476 118.2289 56.1705 31.4715 177.3343 21 N 4.5418 8.4821 116.1297 56.5443 38.8559 177.2592 22 E 4.4357 8.0532 117.9570 56.5170 29.3867 178.9635 *24 A 4.2652 8.1128 122.5838 52.3928 20.4123 179.1901 25 R 4.1518 7.7846 114.3736 59.1056 30.7721 177.6064 26 I 3.8411 7.8656 119.4934 61.4155 37.2748 177.8193 *28 K 4.2226 8.0853 122.2886 56.4736 33.8258 176.4603 29 L 4.1876 7.5059 116.6029 56.2987 41.2330 176.1419 30 L 4.3671 7.3473 117.8495 56.3500 44.7759 176.9264 *32 E 4.1515 7.8961 120.4863 56.3365 30.3597 177.8674 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 7.36 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 7.72 4.30 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 9.01 4.26 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.79 7.07 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 5 I 8.12 3.88 2.08 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 0.77 0.91 0.00 0.00 6 E 8.20 4.30 0.00 2.07 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 8.17 4.29 0.00 1.94 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 1.52 1.42 7.81 9 L 8.18 4.13 0.00 1.90 1.72 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 10 E 7.97 4.37 0.00 2.17 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 2.32 2.35 0.00 *12 I 7.91 4.08 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 0.90 0.00 0.00 13 L 8.30 4.03 0.00 1.79 1.91 0.74 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.27 4.71 0.00 4.03 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 8.02 4.25 0.00 1.68 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 8.20 4.28 0.00 3.23 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 8.19 4.69 0.00 3.29 3.32 0.00 5.81 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 8.35 4.32 0.00 2.24 2.15 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 2.34 0.00 21 N 8.48 4.54 0.00 3.00 2.91 0.00 0.00 7.20 8.38 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 8.05 4.44 0.00 1.95 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 2.30 2.21 0.00 *24 A 8.11 4.27 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 7.78 4.15 0.00 2.01 1.98 0.00 3.27 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 26 I 7.87 3.84 1.95 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 0.89 0.91 0.00 0.00 *28 K 8.09 4.22 0.00 1.74 2.08 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.47 7.81 29 L 7.51 4.19 0.00 1.83 1.71 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.35 4.37 0.00 1.70 1.55 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 *32 E 7.90 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.