NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.8073 8.4444 120.4050 56.2065 31.0687 172.1114 6 F 4.6914 8.0414 126.1843 56.2520 42.1721 172.1884 7 F 4.1707 7.1819 127.2886 56.0903 43.0784 173.5103 8 E 3.9629 7.1967 128.6500 54.5393 28.5683 175.8064 9 G 3.7590 8.3266 116.4032 48.1798 0.0000 172.9886 10 T 3.8102 7.8769 116.8111 63.9430 68.6886 173.5096 11 E 4.5055 8.5582 124.1593 54.9138 31.5973 175.1717 12 K 4.5543 8.2800 118.7726 54.4841 34.0352 175.8053 13 L 4.7130 8.3825 124.3135 52.9160 44.6324 175.0636 14 L 4.7287 8.5074 126.8437 53.0262 44.5366 174.8803 15 E 4.5885 8.7528 125.5678 54.2865 32.2063 174.5806 16 V 4.3788 8.2474 124.8197 60.6462 34.4583 174.2024 17 W 4.5774 8.6785 126.0461 54.9617 30.9548 175.4609 18 F 4.8508 8.8328 122.2456 56.5499 40.7131 176.0865 19 S 4.5168 8.3078 114.9357 56.9300 62.4989 175.3226 *28 G 3.6448 7.7299 107.9251 45.8186 0.0000 171.5675 29 S 4.1092 8.6067 121.5684 58.8580 63.4294 175.3570 30 G 3.8768 8.7080 108.0506 45.8452 0.0000 172.5637 31 D 4.6274 7.9173 118.5659 52.2012 44.0492 176.2101 32 L 4.0396 8.6487 126.5361 57.2450 41.8380 178.8335 33 R 4.3374 8.5433 117.0624 58.0355 30.0304 177.4713 34 T 4.1155 7.8207 114.2872 64.5638 68.7499 174.6776 35 I 3.8014 7.3148 123.9656 59.5230 37.6749 174.2496 36 P 4.4265 0.0000 0.0000 62.2044 32.2648 177.1082 37 R 4.1817 8.9117 120.5374 60.0519 29.8377 178.9336 38 S 4.2867 8.0931 113.3285 61.5792 62.8674 176.2762 39 E 3.9184 8.0776 122.0266 58.7756 29.1195 179.1980 40 W 4.5503 7.8516 118.5957 59.8790 29.1055 178.0264 41 D 4.4332 8.7620 119.2546 57.4999 40.3358 179.0487 42 I 3.7021 7.7830 120.1786 64.1918 36.9138 178.0726 43 L 3.9653 8.1031 120.2514 58.4543 42.1559 178.8455 44 L 4.1677 8.2686 118.8977 57.5111 41.4636 179.2394 45 K 4.0047 8.3277 119.8342 59.6836 31.9467 178.0833 46 D 4.5823 7.9939 116.5249 55.6153 40.8076 177.4216 47 V 4.2410 7.5761 117.6141 61.7165 32.4001 174.6171 48 Q 3.7309 8.3893 114.8285 58.1960 26.0888 172.9759 49 C 5.2074 7.9805 112.8215 58.1836 32.5424 173.6483 50 S 4.7719 8.4341 115.1080 56.8585 66.5075 173.1853 51 I 4.5676 8.4592 123.2017 61.4326 37.2525 175.7473 52 I 4.4421 8.6161 119.9114 60.0157 38.7004 175.5415 53 S 4.7849 7.2212 116.8213 58.1727 65.2387 175.5696 54 V 4.6395 8.3854 125.3025 61.4013 34.7353 174.6923 55 T 4.5334 8.7427 123.2742 61.9381 72.3897 172.7719 56 K 4.9683 8.7270 126.0203 54.9524 34.5003 176.0676 57 T 4.7689 8.2373 115.4505 60.0379 71.3474 173.4071 58 D 4.4963 8.6523 119.6620 57.3916 41.1629 177.7599 59 K 4.2796 7.9673 117.2797 58.1733 32.9461 176.5406 60 Q 4.5998 8.1853 114.6111 54.8260 31.5662 172.5814 61 E 4.9796 8.6571 117.9729 54.5194 31.9117 175.1913 62 A 4.8213 8.8843 126.5351 50.2461 21.7593 174.5913 63 Y 5.0248 8.7034 119.5567 56.0870 41.0526 175.2297 64 V 4.2210 8.8485 124.5513 61.7176 33.2210 175.0383 65 L 5.3147 8.2960 127.1110 53.6436 45.0424 174.7491 66 S 4.5290 8.3010 113.2007 58.1595 66.8413 175.2222 67 E 4.2251 8.6469 118.5105 56.7707 29.4442 176.5593 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 H 8.44 4.81 0.00 3.18 3.33 0.00 5.72 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.04 4.69 0.00 3.05 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 7 F 7.18 4.17 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.20 3.96 0.00 1.83 1.48 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 2.18 2.38 0.00 9 G 8.33 3.76 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 0.00 0.00 0.00 10 T 7.88 3.81 4.35 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 1.21 0.00 0.00 11 E 8.56 4.51 0.00 2.05 1.95 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 2.23 2.57 0.00 12 K 8.28 4.55 0.00 1.74 1.75 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.37 7.81 13 L 8.38 4.71 0.00 1.53 1.50 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.51 4.73 0.00 1.58 1.49 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.75 4.59 0.00 1.94 1.84 0.00 0.00 0.00 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 2.20 0.00 16 V 8.25 4.38 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.87 0.00 0.00 17 W 8.68 4.58 0.00 3.15 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 18 F 8.83 4.85 0.00 3.06 3.02 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 19 S 8.31 4.52 0.00 3.98 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 *28 G 7.73 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.61 4.11 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.71 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.92 4.63 0.00 2.66 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.65 4.04 0.00 1.81 1.83 1.03 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.54 4.34 0.00 1.96 2.04 0.00 3.19 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.71 0.00 34 T 7.82 4.12 4.26 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 1.17 0.00 0.00 35 I 7.31 3.80 1.55 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.36 -0.39 0.00 0.00 36 P 0.00 4.43 0.00 2.16 2.12 0.00 3.45 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.84 0.00 37 R 8.91 4.18 0.00 1.97 2.09 0.00 3.48 0.00 0.00 3.61 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.80 0.00 38 S 8.09 4.29 0.00 4.08 4.12 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 3.92 0.00 1.78 1.72 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 2.18 2.28 0.00 40 W 7.85 4.55 0.00 3.49 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 41 D 8.76 4.43 0.00 2.89 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 42 I 7.78 3.70 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.12 0.91 0.00 0.00 43 L 8.10 3.97 0.00 1.75 2.11 1.08 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.27 4.17 0.00 1.81 1.74 0.82 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.33 4.00 0.00 2.07 1.83 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.66 7.81 46 D 7.99 4.58 0.00 2.89 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 47 V 7.58 4.24 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 0.88 0.00 0.00 1.01 0.00 0.00 48 Q 8.39 3.73 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.46 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 49 C 7.98 5.21 0.00 3.02 2.78 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 50 S 8.43 4.77 0.00 3.88 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.46 4.57 1.99 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 1.41 0.56 1.10 0.00 0.00 52 I 8.62 4.44 1.87 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 1.26 0.65 0.96 0.00 0.00 53 S 7.22 4.78 0.00 3.89 3.68 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 54 V 8.39 4.64 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.84 0.00 0.00 55 T 8.74 4.53 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 56 K 8.73 4.97 0.00 1.55 1.65 0.00 1.66 0.00 0.00 1.84 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.21 1.25 7.81 57 T 8.24 4.77 4.23 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 1.19 0.00 0.00 58 D 8.65 4.50 0.00 2.69 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 59 K 7.97 4.28 0.00 1.74 1.86 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.42 7.81 60 Q 8.19 4.60 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 61 E 8.66 4.98 0.00 1.95 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 62 A 8.88 4.82 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 8.70 5.02 0.00 2.61 2.78 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 64 V 8.85 4.22 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 0.97 0.00 0.00 0.92 0.00 0.00 65 L 8.30 5.31 0.00 1.54 1.56 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.30 4.53 0.00 3.88 3.94 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 67 E 8.65 4.23 0.00 2.00 1.93 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 2.35 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.