NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.6944 8.4549 118.0393 57.1526 41.9366 172.7377 2 Y 4.5468 8.3130 118.3508 56.0523 42.5214 172.5162 3 C 5.1099 9.6860 122.9065 57.3291 42.1355 172.9881 4 R 5.2885 9.8026 122.1107 54.7685 34.5253 174.0527 5 I 4.7400 8.1447 120.7824 58.9625 40.7890 172.9392 6 P 4.4286 0.0000 0.0000 62.9248 31.9055 175.0195 7 A 4.6076 7.2191 120.0566 51.0902 21.9292 176.7813 8 C 4.4381 8.5981 117.5012 57.0863 40.4701 174.0839 9 I 4.0946 8.3609 116.6744 58.6229 39.0831 174.3330 10 A 3.9967 8.3772 122.8506 55.1150 17.8312 177.2342 11 G 4.0635 8.9768 111.5491 45.6768 0.0000 173.3058 12 E 4.5190 7.9458 118.4317 56.2924 30.3970 176.3861 13 R 4.6121 8.9426 121.5017 54.3972 33.9221 174.1420 14 R 4.6968 8.2864 124.5711 56.2395 30.5573 175.3913 15 Y 4.8072 9.4429 122.5945 58.2084 39.8340 175.5251 *17 T 4.5609 7.7956 108.7720 61.8941 70.2867 173.6507 18 C 5.2941 9.3017 118.9545 55.2947 44.8149 173.0554 19 I 5.3084 8.2799 120.7124 59.9189 39.6755 174.7304 20 Y 4.6423 9.2235 126.4506 57.7409 41.9797 174.3797 21 Q 2.8316 8.7881 124.7012 56.9596 26.4792 174.4176 22 G 3.9726 8.4180 101.1629 46.2042 0.0000 174.0805 23 R 4.7009 7.9854 117.6247 53.7313 33.5109 174.0841 24 L 5.0825 8.3842 122.1484 54.1980 42.9742 175.7314 25 W 5.0019 9.8836 126.2396 54.7705 32.4293 175.1670 26 A 4.5787 8.9942 125.1367 51.8771 19.6795 176.4684 27 F 4.9986 9.0017 124.4661 57.3455 40.8720 174.9537 28 C 5.5453 8.7880 124.3902 55.2722 43.3660 173.8619 29 C 4.6558 9.3335 119.5627 57.1590 41.8131 173.9546 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 4.69 0.00 2.51 2.23 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 2 Y 8.31 4.55 0.00 2.83 2.80 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 0.00 0.00 0.00 0.00 3 C 9.69 5.11 0.00 2.64 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 9.80 5.29 0.00 1.77 1.91 0.00 3.16 0.00 0.00 3.10 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 5 I 8.14 4.74 0.56 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.45 -0.07 0.00 0.00 6 P 0.00 4.43 0.00 2.15 2.03 0.00 3.78 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.88 0.00 7 A 7.22 4.61 1.20 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 0.00 0.00 8 C 8.60 4.44 0.00 2.97 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 8.36 4.09 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.08 0.88 0.00 0.00 10 A 8.38 4.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.98 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 4.52 0.00 1.99 1.94 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 2.41 2.29 0.00 13 R 8.94 4.61 0.00 1.73 1.62 0.00 2.90 0.00 0.00 2.74 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.17 0.00 14 R 8.29 4.70 0.00 1.85 1.75 0.00 3.30 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.89 0.00 15 Y 9.44 4.81 0.00 3.13 3.07 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 0.00 0.00 0.00 *17 T 7.80 4.56 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 18 C 9.30 5.29 0.00 2.86 2.96 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 19 I 8.28 5.31 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.71 0.99 0.00 0.00 20 Y 9.22 4.64 0.00 2.74 2.22 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 21 Q 8.79 2.83 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.34 0.00 0.00 0.00 0.00 0.00 1.16 1.86 0.00 22 G 8.42 3.97 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 0.00 0.00 0.00 23 R 7.99 4.70 0.00 1.89 1.67 0.00 3.28 0.00 0.00 3.08 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.00 24 L 8.38 5.08 0.00 1.69 1.60 1.07 1.03 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 25 W 9.88 5.00 0.00 3.43 3.37 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 26 A 8.99 4.58 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.00 5.00 0.00 3.23 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 8.79 5.55 0.00 3.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 9.33 4.66 0.00 2.98 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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.