NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.3965 8.1627 120.3484 55.3619 34.2326 176.7316 3 K 4.1264 7.9687 118.2744 57.7414 32.1280 177.5511 *4 Q 4.0743 8.7823 122.1455 61.0182 28.5939 183.6314 5 I 3.9415 7.6373 121.6943 63.6805 37.2532 177.9336 6 E 4.2720 7.8871 119.2156 58.8831 29.5587 178.3640 7 D 4.5557 7.8038 120.9575 56.3385 40.0635 182.4401 8 K 4.1583 7.7372 119.3864 60.2291 32.3286 178.4442 9 L 3.9408 7.7773 119.2712 58.1963 41.6393 179.3496 10 E 3.9507 7.8654 118.2838 58.8185 29.5924 178.1566 11 E 3.8826 7.8155 118.8437 59.4416 29.6339 178.5708 12 I 3.6606 8.0213 120.0950 64.6524 37.1823 177.9612 13 L 3.8716 7.6424 119.2194 57.9875 41.5696 180.0017 14 S 4.0223 7.8742 113.3711 61.5199 63.0643 176.6786 15 K 4.0084 8.1814 122.5287 58.8940 31.7400 179.2587 16 L 4.0296 8.2942 119.7405 58.1430 41.3612 179.3235 17 H 4.3204 8.5809 118.7188 59.8063 28.6302 178.0531 *18 H 4.1604 8.1006 120.2602 59.7846 27.6080 179.3959 19 I 4.0296 7.7795 122.2743 64.7583 37.0933 178.3159 20 C 4.1303 8.1350 117.3359 62.7966 27.8993 175.9568 21 N 4.3344 7.9673 118.1429 56.5174 38.1981 177.3423 22 E 4.0092 8.3467 119.9033 59.3853 29.4532 179.4590 23 L 4.0473 8.3669 119.1988 57.4731 41.5875 179.4121 24 A 3.9804 7.8960 120.5759 54.9176 18.3084 179.6730 25 R 3.7779 8.1646 117.1711 59.6626 30.1824 178.4530 26 I 3.6645 7.6754 119.7535 64.5483 36.9354 177.9655 27 K 3.8569 8.0994 118.8644 59.3390 32.1719 177.9973 28 K 3.9741 8.1376 119.9376 59.9009 31.9017 178.2912 29 L 3.9693 8.1820 118.7646 58.0371 41.3951 179.6576 30 L 3.9797 8.0169 118.6854 57.8647 41.6516 179.5940 31 G 3.7883 7.6119 104.4714 46.8331 0.0000 173.5428 32 E 4.1773 7.8321 124.3789 56.5294 29.5324 176.4485 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 8.16 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 2.59 0.00 3 K 7.97 4.13 0.00 2.04 1.77 0.00 1.89 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.50 1.13 7.81 *4 Q 8.78 4.07 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.02 0.00 5 I 7.64 3.94 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 1.69 0.54 0.91 0.00 0.00 6 E 7.89 4.27 0.00 2.26 2.42 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 2.25 2.31 0.00 7 D 7.80 4.56 0.00 2.67 2.70 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 8 K 7.74 4.16 0.00 1.81 1.93 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.51 7.81 9 L 7.78 3.94 0.00 1.95 1.74 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 10 E 7.87 3.95 0.00 2.25 1.92 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 2.18 0.00 11 E 7.82 3.88 0.00 2.17 2.07 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 2.23 0.00 12 I 8.02 3.66 2.02 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 1.51 0.72 0.90 0.00 0.00 13 L 7.64 3.87 0.00 1.79 1.59 0.90 1.14 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 14 S 7.87 4.02 0.00 4.08 4.09 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 8.18 4.01 0.00 2.01 1.89 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.70 7.81 16 L 8.29 4.03 0.00 1.78 1.74 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.58 4.32 0.00 3.35 3.32 0.00 5.65 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *18 H 8.10 4.16 0.00 2.94 3.09 0.00 7.22 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.78 4.03 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 1.53 0.59 0.92 0.00 0.00 20 C 8.14 4.13 0.00 2.99 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 21 N 7.97 4.33 0.00 2.93 2.87 0.00 0.00 7.01 7.80 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 8.35 4.01 0.00 2.22 2.00 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 2.33 2.35 0.00 23 L 8.37 4.05 0.00 1.67 1.71 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.90 3.98 1.40 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 8.16 3.78 0.00 2.04 2.06 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 26 I 7.68 3.66 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 1.41 0.45 0.91 0.00 0.00 27 K 8.10 3.86 0.00 1.94 1.92 0.00 1.83 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 28 K 8.14 3.97 0.00 1.95 1.92 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.44 1.38 7.81 29 L 8.18 3.97 0.00 1.74 1.68 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.02 3.98 0.00 1.61 1.75 0.92 1.09 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 31 G 7.61 3.79 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 32 E 7.83 4.18 0.00 1.92 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.