NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6299 8.2893 120.3495 55.5495 32.5344 175.5288 2 T 4.0990 8.6543 117.8426 59.6849 71.2255 173.8822 3 K 3.8653 8.6383 122.3071 59.9074 32.6685 179.7652 4 Q 3.9876 8.1110 119.1867 59.3502 28.9141 178.0730 5 E 4.0015 8.1206 119.5752 59.2091 29.4225 179.4256 6 K 4.0810 7.9618 118.5156 59.4767 32.0685 179.6452 7 T 3.8583 8.0218 116.0501 66.4738 68.3799 176.6229 8 A 3.9887 8.1565 122.7955 55.1102 18.3415 179.4443 9 L 3.9392 8.0115 118.8482 58.3948 42.0876 178.9539 10 N 4.3612 8.4091 116.5812 56.4300 38.3958 177.0363 11 M 4.0111 8.2757 119.4938 58.5373 32.2901 178.1855 12 A 4.0299 8.0194 120.9481 55.3086 18.5802 179.8310 13 R 3.9018 8.3444 116.8675 59.2467 30.0282 179.0973 14 F 4.0303 8.7096 120.9063 61.4308 39.4480 177.3049 15 I 3.8750 8.2456 119.6051 64.2798 36.9122 178.4467 16 R 3.8706 8.2345 119.6960 59.3819 30.0253 178.4837 17 S 3.9705 8.0864 112.9218 61.4872 62.3554 175.8745 18 Q 3.8106 8.1348 122.5488 59.4413 28.7356 178.3786 19 T 3.8558 7.9956 116.7436 66.6707 68.4408 176.6596 20 L 4.0320 7.8734 120.7716 58.0127 41.5653 179.7495 21 T 3.8978 7.7551 115.7101 66.4992 68.3263 176.8196 22 L 3.9936 8.1299 121.1375 57.4380 41.6079 179.2094 23 L 3.9046 7.9486 120.3191 58.2535 41.8384 178.6645 24 E 3.9333 7.6435 116.5519 59.7425 29.7226 179.4763 25 K 4.1521 8.0596 118.1573 59.3122 32.0372 179.5209 26 L 4.0695 8.5733 122.3031 58.2691 41.3173 179.5492 27 N 4.4585 7.9719 117.9083 56.4037 37.5690 178.7980 28 E 4.5807 8.0335 116.8463 56.6171 30.2027 175.6835 29 L 4.6865 7.2114 118.9618 52.6852 44.3836 176.3517 30 D 4.6152 8.4851 119.5476 53.2633 42.5944 175.8878 31 P 4.2348 0.0000 0.0000 66.4023 31.4106 178.7428 32 D 4.3620 8.1124 116.6079 57.4232 40.7190 178.6832 33 E 4.0341 8.0961 118.7374 59.2302 29.5010 179.0489 34 Q 3.9863 8.3422 118.0994 58.8750 28.8179 178.6714 35 A 3.9781 8.2988 122.0383 55.2925 18.4832 179.3557 36 D 4.3337 8.1931 117.3157 57.6294 40.9255 179.2480 37 I 3.7389 7.8551 120.1607 64.6571 37.1365 178.3115 38 C 4.1868 8.3818 117.8745 62.7205 27.8714 175.8714 39 E 3.9343 8.3248 121.0274 59.2376 29.1599 178.7719 40 S 4.1645 8.0697 113.1244 61.3598 62.4283 176.1308 41 L 4.0251 8.0622 121.6721 57.9947 41.5116 178.9746 42 H 4.1221 8.2641 118.0689 59.5628 29.8789 177.0995 43 D 4.4125 8.6249 121.0718 57.7174 40.5926 178.5918 44 H 4.2104 8.7401 116.9927 58.6030 28.6671 177.6438 45 A 4.0382 8.2495 122.7883 55.4065 18.2107 179.4926 46 D 4.4261 8.0494 116.9432 57.4329 40.7731 178.8717 47 E 4.0327 8.2921 119.3455 59.0805 29.3129 179.3296 48 L 3.9881 7.9664 119.1897 57.9346 41.7436 178.6583 49 Y 4.2311 7.9854 119.3882 61.1722 38.7114 178.6947 50 R 3.7706 8.2403 118.6494 59.0779 30.1102 179.2529 51 S 4.1382 8.3278 115.6209 61.6956 62.5528 176.4822 52 C 4.1887 8.1185 118.9751 62.7143 27.6474 175.8011 53 L 4.0049 7.7550 120.4870 57.5137 40.8720 179.4558 54 A 4.0732 7.8546 120.1399 55.0668 18.4899 179.2686 55 R 4.0736 7.7824 115.5362 58.2982 30.1637 177.5646 *56 F 4.5076 7.7186 122.1348 56.9525 39.1475 179.7338 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 M 8.29 4.63 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 2 T 8.65 4.10 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 3 K 8.64 3.87 0.00 1.89 1.85 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.56 7.81 4 Q 8.11 3.99 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 5 E 8.12 4.00 0.00 2.35 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 2.34 2.35 0.00 6 K 7.96 4.08 0.00 2.04 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.48 7.81 7 T 8.02 3.86 4.40 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 1.19 0.00 0.00 8 A 8.16 3.99 1.36 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 0.00 0.00 0.00 9 L 8.01 3.94 0.00 1.94 1.83 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.41 4.36 0.00 3.01 2.89 0.00 0.00 6.65 7.19 0.00 0.00 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 M 8.28 4.01 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 12 A 8.02 4.03 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 13 R 8.34 3.90 0.00 2.08 2.03 0.00 3.15 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 14 F 8.71 4.03 0.00 3.17 3.20 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 15 I 8.25 3.87 2.08 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 1.55 0.99 0.96 0.00 0.00 16 R 8.23 3.87 0.00 1.98 2.09 0.00 3.21 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.51 0.00 17 S 8.09 3.97 0.00 3.84 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.13 3.81 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 19 T 8.00 3.86 4.40 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 1.21 0.00 0.00 20 L 7.87 4.03 0.00 1.83 1.69 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.76 3.90 4.33 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 22 L 8.13 3.99 0.00 1.93 1.71 1.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.95 3.90 0.00 1.76 1.80 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 24 E 7.64 3.93 0.00 2.09 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 2.34 2.64 0.00 25 K 8.06 4.15 0.00 1.78 1.84 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.61 7.81 26 L 8.57 4.07 0.00 1.85 1.72 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 27 N 7.97 4.46 0.00 2.85 2.74 0.00 0.00 7.04 7.67 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 28 E 8.03 4.58 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 29 L 7.21 4.69 0.00 1.60 1.76 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.49 4.62 0.00 2.72 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.23 0.00 2.15 2.12 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 32 D 8.11 4.36 0.00 2.68 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 33 E 8.10 4.03 0.00 2.17 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 2.40 2.40 0.00 34 Q 8.34 3.99 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 35 A 8.30 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.19 4.33 0.00 2.88 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.86 3.74 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.19 0.92 0.00 0.00 38 C 8.38 4.19 0.00 2.95 2.99 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 39 E 8.32 3.93 0.00 2.18 2.08 0.00 0.00 0.00 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 40 S 8.07 4.16 0.00 4.01 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 41 L 8.06 4.03 0.00 1.99 1.74 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 42 H 8.26 4.12 0.00 3.28 3.50 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.62 4.41 0.00 2.69 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.74 4.21 0.00 3.48 3.37 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.25 4.04 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 46 D 8.05 4.43 0.00 2.87 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.29 4.03 0.00 2.18 2.01 0.00 0.00 0.00 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 2.55 0.00 48 L 7.97 3.99 0.00 2.12 1.78 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 7.99 4.23 0.00 3.02 3.20 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 50 R 8.24 3.77 0.00 1.89 1.91 0.00 3.18 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.88 0.00 51 S 8.33 4.14 0.00 4.02 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 52 C 8.12 4.19 0.00 3.04 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 53 L 7.75 4.00 0.00 1.65 1.53 0.35 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.85 4.07 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.78 4.07 0.00 2.16 1.98 0.00 3.31 0.00 0.00 3.26 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.51 0.00 *56 F 7.72 4.51 0.00 2.82 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 * Residues marked with a * may have inaccurate shift predictions.