NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 R 4.3305 8.2549 119.0729 55.1643 31.4875 176.0430 2 P 4.0708 0.0000 0.0000 61.9874 31.9293 173.6999 3 D 4.4467 8.5476 123.6676 53.2820 42.2327 176.5060 4 F 4.4425 8.5521 122.5227 59.5209 38.1320 177.8601 5 C 4.6172 8.0865 118.4606 59.1163 40.0264 174.1832 6 L 4.4755 7.7556 117.9005 54.5148 41.7252 176.4606 7 E 4.3524 7.8097 119.2901 54.8398 30.2564 175.0423 8 P 4.3622 0.0000 0.0000 61.4880 32.0868 174.6726 9 P 3.6434 0.0000 0.0000 62.7336 31.3813 175.1971 10 Y 4.6321 7.9365 122.0785 56.0622 40.0197 175.3625 11 T 4.2252 7.7075 124.8396 64.4885 68.8583 176.2466 12 G 3.7558 6.7356 104.5368 44.1601 0.0000 171.3745 13 P 4.3128 0.0000 0.0000 64.9761 32.0995 177.9352 14 C 4.4805 7.8829 116.3548 56.9863 40.6761 173.4374 15 K 4.4080 8.1984 119.4595 56.3475 32.3845 176.6689 16 A 4.3285 7.7246 120.8590 51.1376 20.9077 177.6270 17 R 4.6448 8.1578 118.7645 54.3234 29.7302 172.9037 18 I 4.3985 8.3337 122.5920 59.1289 39.7229 174.8937 19 I 4.3185 8.2919 128.3236 61.0131 37.8409 175.3359 20 R 4.8794 8.3904 125.0634 54.6247 34.8669 173.6359 21 Y 5.6367 9.4521 117.7051 56.6131 41.0637 175.3944 22 F 5.7353 9.6353 117.0276 55.4287 42.0687 172.8835 23 Y 4.4672 10.1841 122.9536 57.2970 40.0088 173.8143 24 N 4.7134 8.1262 126.8407 51.7526 38.8293 175.0634 25 A 3.7332 8.4036 129.8983 54.8325 18.9565 178.7314 26 K 3.9850 8.1830 115.6257 59.3449 32.3384 177.5653 27 A 4.1629 7.8440 119.0669 52.0030 18.9995 177.2841 28 G 3.9090 8.3427 103.9652 45.3236 0.0000 173.3520 29 L 4.6258 6.8442 116.9079 54.2074 43.9933 174.7100 30 C 4.8898 8.7529 118.1483 57.0343 38.3609 173.1392 31 Q 4.9166 8.7605 122.6544 54.0521 32.2817 174.8661 32 T 4.7956 8.3370 110.8092 61.4607 70.6319 173.5920 33 F 4.9408 8.7649 116.8179 56.1576 42.3420 172.7830 34 V 4.3161 8.4299 119.5629 62.0436 32.8769 173.6090 35 Y 4.8010 8.8705 130.0242 55.9441 40.4489 176.4344 36 G 3.8547 8.2123 113.4650 46.2929 0.0000 175.0813 37 G 3.7812 6.3884 107.6749 45.2530 0.0000 172.3161 38 C 4.9517 6.8028 111.8022 54.5568 44.8263 173.0859 39 R 3.7891 8.8030 115.8660 57.1221 27.1325 176.9655 40 A 4.3086 8.2579 118.8243 52.4518 19.1652 178.1997 41 K 4.3761 8.2725 120.6195 54.8881 34.0099 177.2009 42 R 3.6144 8.0427 117.8449 58.6879 30.4452 177.5168 43 N 4.7516 7.8123 118.2617 51.2465 37.4213 174.1341 44 N 5.0442 6.4439 116.4044 52.8110 41.6664 173.1319 45 F 5.0830 9.4783 124.8124 55.6364 42.4697 176.4700 46 K 4.4418 8.8667 121.7573 58.1788 32.7305 177.5877 47 S 4.5325 7.6995 112.6708 55.6903 67.0269 174.6591 48 A 3.2599 7.4827 124.2097 54.9450 18.0664 179.9635 49 E 3.7777 7.7914 116.6919 59.6134 29.5877 179.1170 50 D 4.2748 8.0583 118.8944 57.3455 40.8632 178.0023 51 C 2.4500 7.6790 118.7170 59.4657 44.8107 175.6291 52 M 3.8734 8.0167 120.5429 58.1992 31.2453 178.7679 53 R 3.7905 7.6604 118.1245 59.5538 30.3117 178.3275 54 T 4.1753 7.4431 114.4227 65.4801 69.0676 174.9405 55 C 4.5213 8.1259 115.6861 55.7643 41.5931 174.0058 56 G 3.6851 7.5236 110.1066 47.2007 0.0000 174.1304 57 G 3.7741 8.8112 111.4592 45.5762 0.0000 173.2029 58 A 4.0155 7.1418 127.7516 52.1473 18.2585 178.0093 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 R 8.25 4.33 0.00 1.57 1.77 0.00 3.18 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.72 0.00 2 P 0.00 4.07 0.00 2.15 2.06 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 3 D 8.55 4.45 0.00 2.62 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.55 4.44 0.00 3.24 3.32 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 5 C 8.09 4.62 0.00 2.95 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 6 L 7.76 4.48 0.00 1.76 1.75 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.81 4.35 0.00 2.09 1.89 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 2.42 2.49 0.00 8 P 0.00 4.36 0.00 1.99 1.91 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 9 P 0.00 3.64 0.00 0.52 0.49 0.00 3.30 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.44 0.00 10 Y 7.94 4.63 0.00 2.82 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 11 T 7.71 4.23 4.11 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 0.00 0.00 0.00 1.17 0.00 0.00 12 G 6.74 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 13 P 0.00 4.31 0.00 2.17 2.19 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 14 C 7.88 4.48 0.00 2.80 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 15 K 8.20 4.41 0.00 1.67 1.75 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.35 7.81 16 A 7.72 4.33 1.16 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 0.00 0.00 17 R 8.16 4.64 0.00 1.73 1.76 0.00 3.33 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 18 I 8.33 4.40 2.03 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.62 0.98 0.00 0.00 19 I 8.29 4.32 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.42 0.73 0.00 0.00 20 R 8.39 4.88 0.00 0.93 1.94 0.00 3.41 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.50 0.00 21 Y 9.45 5.64 0.00 3.19 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 22 F 9.64 5.74 0.00 3.23 2.90 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 0.00 0.00 0.00 0.00 23 Y 10.18 4.47 0.00 3.05 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 24 N 8.13 4.71 0.00 2.20 2.44 0.00 0.00 6.63 8.60 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 25 A 8.40 3.73 1.37 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 0.00 0.00 26 K 8.18 3.99 0.00 1.72 1.99 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.43 7.81 27 A 7.84 4.16 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.34 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 29 L 6.84 4.63 0.00 1.67 1.68 0.90 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.75 4.89 0.00 2.92 3.21 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 0.00 31 Q 8.76 4.92 0.00 1.22 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.86 0.00 0.00 0.00 0.00 0.00 2.17 2.00 0.00 32 T 8.34 4.80 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 0.65 0.00 0.00 33 F 8.76 4.94 0.00 3.09 3.19 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 0.00 0.00 0.00 0.00 34 V 8.43 4.32 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 0.87 0.00 0.00 0.90 0.00 0.00 35 Y 8.87 4.80 0.00 2.54 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.21 3.85 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 0.00 0.00 0.00 37 G 6.39 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 0.00 0.00 0.00 38 C 6.80 4.95 0.00 3.05 2.97 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 39 R 8.80 3.79 0.00 2.23 2.17 0.00 3.27 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 40 A 8.26 4.31 1.03 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 0.00 0.00 41 K 8.27 4.38 0.00 1.74 1.69 0.00 1.57 0.00 0.00 1.51 0.00 0.00 2.13 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.13 1.16 7.81 42 R 8.04 3.61 0.00 0.93 0.66 0.00 2.34 0.00 0.00 2.82 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.25 0.00 43 N 7.81 4.75 0.00 3.17 2.86 0.00 0.00 6.70 7.79 0.00 0.00 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 N 6.44 5.04 0.00 2.67 2.55 0.00 0.00 7.08 7.02 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 45 F 9.48 5.08 0.00 3.32 2.97 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 46 K 8.87 4.44 0.00 1.84 1.94 0.00 1.79 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.48 7.81 47 S 7.70 4.53 0.00 4.01 3.89 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 48 A 7.48 3.26 0.93 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 0.00 0.00 49 E 7.79 3.78 0.00 1.98 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 2.34 2.38 0.00 50 D 8.06 4.27 0.00 2.91 2.86 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 0.00 0.00 0.00 0.00 51 C 7.68 2.45 0.00 2.89 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 52 M 8.02 3.87 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.50 0.00 53 R 7.66 3.79 0.00 1.83 2.00 0.00 3.23 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 54 T 7.44 4.18 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 1.61 0.00 0.00 55 C 8.13 4.52 0.00 2.77 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.52 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.81 3.77 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 0.00 0.00 0.00 58 A 7.14 4.02 0.92 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.