NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 4.0569 8.1245 118.5438 59.4293 38.0254 176.2651 6 E 4.1757 8.0392 116.1651 54.7008 30.1375 177.8688 7 L 4.6342 8.0578 124.7945 52.6833 44.2203 177.0657 8 S 4.4149 8.7966 117.5440 57.6725 65.3380 175.5668 9 L 3.4902 8.0889 121.6557 57.6164 41.2458 179.6634 10 E 4.0016 7.8066 117.9755 59.5118 29.6139 179.0163 11 Q 3.9936 7.8344 117.9567 59.2692 28.7732 179.3458 12 Q 3.9523 7.8634 118.7581 58.8882 28.6656 178.5414 13 F 4.5191 7.9817 119.2862 60.9113 38.9040 177.7144 14 S 4.1840 8.2242 112.5863 61.3264 62.0982 176.3867 15 I 3.7874 7.7231 122.0042 64.5722 36.8546 178.5057 16 R 3.9681 8.1787 118.9400 59.3518 30.0139 179.1964 17 S 4.0678 8.4866 112.9542 61.3000 62.4998 175.5414 18 F 4.0688 8.4741 123.4291 61.6634 38.8183 177.0219 19 A 3.8898 8.3848 120.3491 55.3578 17.9121 179.7291 20 T 3.7898 7.4972 107.2314 65.0818 69.0092 176.6694 21 Q 4.0024 7.8971 120.4198 58.3457 28.4314 178.6807 22 V 3.2236 7.1890 118.8414 65.7963 31.5367 177.8485 23 Q 4.0922 7.4809 116.6146 57.6160 29.8541 176.9373 24 N 4.4535 7.2973 119.9235 51.7265 37.1894 173.9979 *26 S 4.2727 7.4581 116.4724 57.8824 66.0826 174.3198 27 H 4.1504 8.4804 119.6460 59.6623 29.5963 176.5337 28 D 4.3474 8.1190 120.0741 57.6176 40.6513 178.7516 29 Q 4.0697 8.2101 118.1888 58.9739 28.6469 178.8199 30 A 4.0483 8.1012 121.8211 54.9675 18.3641 179.9162 31 K 3.9717 8.1571 117.0631 59.7638 32.1731 179.3451 32 D 4.3885 8.2527 119.1459 57.3150 40.6665 178.5897 33 F 3.9313 8.5411 121.2274 61.2084 39.3967 176.9147 34 L 4.1697 8.3650 118.7754 58.2234 41.5069 179.8966 35 V 3.6906 7.7346 117.5230 65.7503 31.4474 178.0175 36 K 3.9397 8.1212 119.6584 59.2552 31.7946 178.6829 37 L 3.9668 8.1260 120.2209 58.1291 42.1240 177.8870 38 Y 4.2083 8.0391 118.6077 60.6867 39.0431 177.3412 39 E 4.0997 8.2802 120.1488 59.3634 29.6719 179.6836 40 Q 3.7474 7.8444 115.1092 56.6506 28.6864 178.5859 *42 V 3.8086 7.7596 122.0296 62.9177 33.5696 177.7303 43 V 3.5461 7.7318 118.9285 65.9656 31.2994 178.0484 44 R 3.8634 8.1196 118.5461 59.3656 29.8672 178.3462 45 E 4.0700 8.1625 117.8245 59.3546 29.5419 178.9703 46 A 4.0017 7.8423 120.6009 55.2989 18.4227 179.8018 47 T 3.7122 7.9313 114.1672 67.0793 68.5500 176.3199 48 Y 4.1802 7.9108 118.4728 61.3945 38.0197 178.9803 49 Q 4.0487 8.4066 118.9111 58.7880 28.8660 178.4986 50 E 3.9320 8.2761 120.3658 59.2189 29.5096 178.6190 51 L 3.9657 7.6777 117.6613 58.1482 41.8330 179.4326 52 L 4.1730 7.9532 117.2448 57.5076 41.5585 179.3265 53 K 4.1810 8.0918 117.3396 59.5025 32.3408 176.4716 54 H 4.1781 7.9416 122.1455 55.8749 29.6371 173.8778 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 5 I 8.12 4.06 1.87 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 1.27 1.21 0.91 0.00 0.00 6 E 8.04 4.18 0.00 2.06 1.78 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 2.21 1.96 0.00 7 L 8.06 4.63 0.00 1.56 1.55 0.89 0.99 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 8 S 8.80 4.41 0.00 3.97 3.95 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 9 L 8.09 3.49 0.00 1.48 1.08 0.76 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 10 E 7.81 4.00 0.00 2.03 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 2.46 2.56 0.00 11 Q 7.83 3.99 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 12 Q 7.86 3.95 0.00 1.93 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 13 F 7.98 4.52 0.00 3.16 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 14 S 8.22 4.18 0.00 3.96 4.05 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 15 I 7.72 3.79 2.04 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 1.52 0.57 0.97 0.00 0.00 16 R 8.18 3.97 0.00 1.94 2.06 0.00 3.33 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.89 0.00 17 S 8.49 4.07 0.00 3.94 4.02 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.47 4.07 0.00 3.25 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.38 3.89 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.50 3.79 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 21 Q 7.90 4.00 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 22 V 7.19 3.22 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 -0.05 0.00 0.00 23 Q 7.48 4.09 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.20 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 24 N 7.30 4.45 0.00 2.76 2.75 0.00 0.00 6.96 7.46 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 *26 S 7.46 4.27 0.00 4.09 4.08 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 0.00 0.00 0.00 27 H 8.48 4.15 0.00 3.21 3.32 0.00 5.70 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 28 D 8.12 4.35 0.00 2.73 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 29 Q 8.21 4.07 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 30 A 8.10 4.05 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 31 K 8.16 3.97 0.00 1.98 1.89 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.64 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.70 7.81 32 D 8.25 4.39 0.00 2.76 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.54 3.93 0.00 3.34 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 34 L 8.36 4.17 0.00 2.07 1.79 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.73 3.69 2.11 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 1.03 0.00 0.00 0.98 0.00 0.00 36 K 8.12 3.94 0.00 1.85 1.80 0.00 1.52 0.00 0.00 1.27 0.00 0.00 2.31 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.23 1.32 7.81 37 L 8.13 3.97 0.00 1.95 2.02 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 8.04 4.21 0.00 3.08 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 4.10 0.00 2.14 2.10 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 2.29 2.36 0.00 40 Q 7.84 3.75 0.00 2.29 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.16 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 *42 V 7.76 3.81 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 0.87 0.00 0.00 0.38 0.00 0.00 43 V 7.73 3.55 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 0.89 0.00 0.00 0.94 0.00 0.00 44 R 8.12 3.86 0.00 2.02 1.92 0.00 3.16 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.00 45 E 8.16 4.07 0.00 2.02 1.98 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 2.42 2.36 0.00 46 A 7.84 4.00 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 47 T 7.93 3.71 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 48 Y 7.91 4.18 0.00 3.14 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.41 4.05 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 50 E 8.28 3.93 0.00 2.20 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 2.29 2.39 0.00 51 L 7.68 3.97 0.00 1.93 1.77 0.85 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.95 4.17 0.00 1.81 1.76 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.09 4.18 0.00 1.79 1.87 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.56 7.81 54 H 7.94 4.18 0.00 3.33 3.18 0.00 5.78 0.00 0.00 0.00 0.00 6.91 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.