NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.5605 8.4549 118.0218 57.1672 39.7356 172.2786 2 Y 4.7250 8.4823 116.5731 56.4729 42.6921 172.2045 3 C 5.6561 9.7092 120.5027 55.6071 40.3662 173.2946 4 R 5.2998 9.6991 122.7596 54.5585 34.2517 174.4650 5 I 4.9857 8.5843 121.7630 59.1565 40.2134 173.6991 6 P 4.5121 0.0000 0.0000 62.7485 32.0327 174.3726 7 A 4.4904 7.2126 120.1770 51.5681 21.8450 176.3595 8 C 4.6013 8.4815 117.2238 56.7222 42.2909 174.1210 9 I 4.1235 8.1052 114.7046 59.5756 38.4530 175.1598 10 A 4.0925 8.3147 124.1398 54.2470 18.3616 178.2149 11 G 3.9844 9.1237 111.2923 44.8348 0.0000 173.0148 12 E 4.8681 7.7421 118.1630 54.9788 31.9177 175.5234 13 R 4.6787 8.8791 119.8580 54.2373 34.3089 174.8584 14 R 4.6466 8.2382 121.5806 56.4236 30.3322 175.5210 15 Y 4.6383 9.2330 122.7088 58.4135 40.6866 175.7253 *17 T 4.5970 7.8233 107.6198 61.8881 70.2757 173.7298 18 C 5.2367 9.2912 118.7814 55.2241 44.4341 173.2057 19 I 5.2723 8.0992 120.7880 60.0126 39.8490 174.7451 20 Y 4.7423 9.5167 125.8677 58.0236 42.0541 174.1902 21 Q 3.3611 9.3946 124.7858 57.0203 26.2437 174.1291 22 G 3.9585 8.6246 102.7939 46.1862 0.0000 174.1736 23 R 4.6542 7.9338 116.8618 53.8919 34.0993 173.7032 24 L 5.1796 8.1825 121.6029 53.8474 43.4985 175.5819 25 W 5.0374 9.3347 124.6377 54.5741 33.3918 174.5068 26 A 4.6271 9.2760 124.7496 51.8986 19.6317 176.4078 27 F 5.3980 9.0142 124.5455 57.4209 40.9637 175.0576 28 C 5.5879 9.2105 124.0518 55.4219 43.0070 173.7797 29 C 4.5648 9.1670 118.8569 57.3360 42.2342 173.9454 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 C 8.45 4.56 0.00 2.79 2.55 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 2 Y 8.48 4.73 0.00 2.90 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 C 9.71 5.66 0.00 2.55 2.77 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 4 R 9.70 5.30 0.00 1.83 1.90 0.00 3.11 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 5 I 8.58 4.99 1.56 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.07 0.71 0.00 0.00 6 P 0.00 4.51 0.00 2.14 2.11 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.92 0.00 7 A 7.21 4.49 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 8 C 8.48 4.60 0.00 2.98 3.04 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 0.00 0.00 0.00 9 I 8.11 4.12 1.83 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.71 0.86 0.00 0.00 10 A 8.31 4.09 1.26 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 11 G 9.12 3.98 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 0.00 0.00 0.00 12 E 7.74 4.87 0.00 2.00 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 2.31 2.25 0.00 13 R 8.88 4.68 0.00 1.54 1.38 0.00 3.15 0.00 0.00 3.02 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 14 R 8.24 4.65 0.00 1.78 1.74 0.00 3.20 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 15 Y 9.23 4.64 0.00 2.82 3.13 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 *17 T 7.82 4.60 4.44 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 1.30 0.00 0.00 18 C 9.29 5.24 0.00 2.92 2.94 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 19 I 8.10 5.27 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.70 1.00 0.00 0.00 20 Y 9.52 4.74 0.00 2.82 2.48 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 Q 9.39 3.36 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.25 0.00 0.00 0.00 0.00 0.00 1.81 1.16 0.00 22 G 8.62 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 0.00 0.00 0.00 23 R 7.93 4.65 0.00 2.01 1.43 0.00 3.04 0.00 0.00 2.78 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.62 0.00 24 L 8.18 5.18 0.00 1.65 1.53 1.06 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 25 W 9.33 5.04 0.00 3.36 3.43 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 A 9.28 4.63 1.37 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 27 F 9.01 5.40 0.00 3.19 3.10 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 28 C 9.21 5.59 0.00 2.95 3.09 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 29 C 9.17 4.56 0.00 2.66 2.72 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 * Residues marked with a * may have inaccurate shift predictions.