NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3469 8.2549 119.7065 56.3670 32.7080 176.5072 2 M 4.0006 8.1491 117.8154 57.5143 32.1864 176.1036 3 K 5.0775 8.4664 119.8562 56.4013 33.6011 178.3881 *5 I 4.1121 7.9329 118.7778 61.2251 39.2406 177.4239 6 E 4.1233 8.3242 119.4555 59.7970 29.5108 179.4023 7 D 4.8356 8.0686 117.7936 54.8539 40.6931 178.6105 *9 L 4.2512 8.0388 120.6533 54.9268 43.7768 178.2387 10 E 4.0450 8.4762 119.3539 59.3046 29.4074 179.3785 11 E 4.2068 8.1197 117.2027 56.7203 29.0991 178.2592 *13 L 4.1680 7.9973 118.4403 54.4526 44.0489 178.7047 14 S 4.2680 8.2989 114.6113 61.3371 63.5053 175.2244 15 K 4.5774 7.4749 121.4379 56.1909 30.9615 177.4203 *17 Y 4.5226 7.7106 121.6113 58.1040 41.1233 175.5963 18 H 4.2776 7.7057 115.0942 58.7759 29.2270 177.0187 19 I 4.3524 7.9863 120.0464 61.9749 37.0599 177.9080 *21 N 4.4912 8.2948 119.0788 53.2742 40.6191 175.8041 22 E 4.1224 7.9670 117.9507 58.9398 30.1544 179.3437 23 L 4.2056 8.2208 117.4871 55.1920 41.0382 179.1708 *25 R 4.1714 8.1405 119.5470 56.6567 31.6589 176.7201 26 I 3.8951 7.6614 118.3933 64.2844 37.4420 180.6501 27 K 4.1737 8.0370 122.3354 56.1050 31.2149 178.9349 *29 L 4.1970 8.0063 118.7180 54.4189 43.4292 178.2045 30 L 4.1635 8.0016 115.7082 54.5217 42.1908 176.3588 31 G 3.6245 7.2392 106.0269 46.5474 0.0000 174.2129 *33 R 4.0874 7.8877 121.5178 56.2473 30.4881 176.1542 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 8.25 4.35 0.00 1.82 2.06 0.00 3.35 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 2 M 8.15 4.00 0.00 2.16 2.12 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 2.59 0.00 3 K 8.47 5.08 0.00 1.79 1.75 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.48 7.81 *5 I 7.93 4.11 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 1.41 0.66 0.91 0.00 0.00 6 E 8.32 4.12 0.00 2.20 1.99 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 2.49 0.00 7 D 8.07 4.84 0.00 2.78 2.67 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 *9 L 8.04 4.25 0.00 1.89 1.77 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.48 4.05 0.00 2.17 2.12 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 2.30 2.29 0.00 11 E 8.12 4.21 0.00 2.25 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 2.32 2.30 0.00 *13 L 8.00 4.17 0.00 1.91 1.77 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.30 4.27 0.00 4.12 3.96 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 7.47 4.58 0.00 1.81 1.83 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.56 7.81 *17 Y 7.71 4.52 0.00 2.90 3.11 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 7.71 4.28 0.00 3.48 3.33 0.00 5.66 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.99 4.35 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.63 0.91 0.00 0.00 *21 N 8.29 4.49 0.00 2.67 2.76 0.00 0.00 6.65 6.80 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 7.97 4.12 0.00 2.11 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 2.27 2.30 0.00 23 L 8.22 4.21 0.00 1.73 1.64 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 *25 R 8.14 4.17 0.00 1.90 2.12 0.00 3.22 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 26 I 7.66 3.90 1.86 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 1.17 0.67 0.90 0.00 0.00 27 K 8.04 4.17 0.00 1.90 1.75 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.40 7.81 *29 L 8.01 4.20 0.00 1.87 1.75 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.00 4.16 0.00 1.83 1.70 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.24 3.62 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 *33 R 7.89 4.09 0.00 1.84 1.90 0.00 3.24 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 1.53 1.63 0.00 * Residues marked with a * may have inaccurate shift predictions.