NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.0752 8.2649 123.5629 52.0634 19.7865 176.3759 2 C 4.7421 7.8567 116.9415 54.8788 42.9876 171.1404 3 Y 4.7693 9.0905 117.6883 56.9702 42.9606 173.3042 4 C 5.4602 8.6442 119.0671 55.7201 42.2147 173.5443 5 R 5.2525 9.5080 122.2645 54.5973 34.2663 174.3389 6 I 4.9203 8.6045 122.1897 59.1177 39.9217 173.9603 7 P 4.3205 0.0000 0.0000 64.3643 31.9705 175.2024 8 A 4.4847 7.3646 119.4882 51.2035 21.7744 176.1827 9 C 4.4635 8.6595 117.2455 57.2978 38.8914 174.0798 10 I 4.2491 8.1115 115.7871 58.7467 39.6956 174.4323 11 A 4.1196 8.3166 123.0557 54.1880 18.2653 178.2522 12 G 3.9129 8.9843 110.6803 45.4848 0.0000 172.7391 13 E 4.9210 7.5026 118.4358 54.2036 32.2963 175.5572 *16 Y 4.3902 8.0101 114.2382 57.6527 39.1565 175.3769 17 G 3.9858 8.7896 108.8294 44.4857 0.0000 170.2201 18 T 5.3997 8.0798 115.5649 62.4422 73.2157 174.0127 19 C 5.1861 9.5769 120.3097 55.3780 43.8178 173.4106 20 I 5.0865 8.3603 122.2789 60.1459 37.5900 174.6349 21 Y 4.8339 9.1087 127.0607 57.8700 41.6852 174.3107 22 Q 3.2836 9.4358 125.1350 56.9462 26.8797 173.3291 23 G 3.5625 7.2839 98.9497 46.3196 0.0000 174.6054 *25 L 4.4493 7.5893 118.3605 54.6442 43.4643 176.3425 26 W 4.9496 9.5259 125.4296 54.4762 33.0015 174.8148 27 A 4.5437 9.0701 124.8806 52.0731 19.1640 176.4189 28 F 5.0669 8.9626 125.7309 57.3511 40.2992 174.3889 29 C 5.1978 8.7588 124.0777 55.3319 42.8889 174.0574 30 C 4.5009 8.7446 118.9130 57.3369 42.0411 173.8923 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 A 8.26 4.08 0.99 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 0.00 0.00 0.00 0.00 0.00 2 C 7.86 4.74 0.00 2.55 2.03 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.09 4.77 0.00 2.74 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 4 C 8.64 5.46 0.00 2.33 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 9.51 5.25 0.00 1.82 1.94 0.00 3.21 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 6 I 8.60 4.92 1.54 0.00 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.18 0.71 0.00 0.00 7 P 0.00 4.32 0.00 2.15 2.13 0.00 3.81 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 8 A 7.36 4.48 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 9 C 8.66 4.46 0.00 2.98 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 10 I 8.11 4.25 1.82 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.68 0.86 0.00 0.00 11 A 8.32 4.12 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.98 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.50 4.92 0.00 2.14 1.96 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 2.32 2.21 0.00 *16 Y 8.01 4.39 0.00 3.38 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.79 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.08 5.40 4.32 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 1.28 0.00 0.00 19 C 9.58 5.19 0.00 3.00 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 20 I 8.36 5.09 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.60 1.01 0.00 0.00 21 Y 9.11 4.83 0.00 2.84 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.44 3.28 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.39 0.00 0.00 0.00 0.00 0.00 1.89 1.16 0.00 23 G 7.28 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.59 4.45 0.00 1.70 1.61 1.04 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 26 W 9.53 4.95 0.00 3.37 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.07 4.54 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.96 5.07 0.00 3.05 3.26 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 29 C 8.76 5.20 0.00 2.90 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 30 C 8.74 4.50 0.00 2.89 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 * Residues marked with a * may have inaccurate shift predictions.