NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6366 8.2233 120.5295 54.3225 43.1765 177.4446 3 K 3.6747 8.0815 117.8988 59.0182 32.3330 176.4120 4 C 4.5454 8.8432 115.1932 59.7137 29.7054 172.3707 5 K 5.2875 7.8931 119.5692 54.5727 34.7043 176.2316 6 K 4.4419 8.9889 122.8038 54.9245 36.1590 175.5740 7 V 4.1737 8.3917 126.0389 62.7049 32.4894 175.9619 8 Y 4.6726 9.0488 126.6721 56.0759 37.1117 176.3260 9 E 4.7039 8.4944 119.5927 57.8686 30.1701 177.4017 10 N 4.8669 8.2473 115.6505 53.2518 38.6763 175.4234 11 Y 4.6075 7.9015 116.6240 55.8854 39.2126 173.5151 12 P 4.8594 0.0000 0.0000 61.0034 32.4327 175.3281 13 V 4.4876 8.0102 122.4245 59.7346 34.7900 176.0067 14 S 3.9589 8.8252 121.2168 61.8319 62.2763 176.9743 15 K 3.9288 8.0437 120.4653 59.4195 32.0524 178.5044 16 C 4.2731 8.8613 117.8160 62.1293 27.7408 175.5687 17 Q 4.1901 7.8638 119.2718 57.6686 28.0895 177.1447 18 L 4.3567 7.7570 121.1123 53.0815 41.7726 176.8791 19 A 3.9062 8.6217 127.3366 54.9629 18.0724 178.8361 20 N 4.5527 8.0074 114.6522 56.5887 38.8451 177.3509 21 Q 4.0528 8.1823 119.5595 59.1612 28.6589 178.3044 22 C 4.1745 8.1800 117.4241 63.1894 28.1090 175.9140 23 N 4.2449 7.8614 116.9791 56.1415 37.0793 176.8643 24 Y 3.6880 8.0995 119.1180 60.7781 38.0554 178.2651 25 D 4.3458 8.9015 120.5818 57.5930 40.8761 178.5872 26 C 3.8784 8.2606 117.4614 62.7857 28.2382 176.2297 27 K 3.8495 8.0726 120.0598 59.6711 31.3889 179.3843 28 L 3.9716 7.5434 117.8729 57.2706 41.5708 178.3275 29 D 4.4111 8.0472 117.6338 55.5411 41.9123 177.6232 30 K 3.8637 8.1901 117.0173 55.5781 32.3082 176.8929 31 H 4.6536 8.0355 113.2468 55.2528 26.3951 174.8167 32 A 3.8196 6.9815 119.9864 52.0861 18.8146 179.2259 33 R 3.9607 7.6300 119.7512 58.7303 30.2082 178.2226 34 S 4.1908 7.6727 108.6150 57.4116 64.7300 175.0981 35 G 3.6350 7.5377 102.0184 46.4720 0.0000 172.4950 36 E 4.6152 8.5469 127.1674 54.1410 32.3639 175.1605 37 C 5.1982 8.3495 121.5759 58.2011 30.4009 173.0219 38 F 4.9539 8.8318 120.1688 55.8764 43.3106 173.3347 39 Y 4.8669 9.0950 118.4275 57.2279 39.1292 175.5230 40 D 4.9850 8.3576 124.6096 51.7476 42.1450 176.7099 41 E 4.0471 8.6866 117.3552 59.7700 29.4711 178.2988 42 K 4.1692 8.2580 114.9096 56.5511 32.0252 177.0892 43 R 4.0165 7.8689 116.8073 56.8569 28.3403 175.5592 44 N 4.8606 8.6053 115.7043 51.0492 39.4057 174.1323 45 L 4.3603 8.0718 119.8303 54.1296 42.9037 175.7732 46 Q 4.3892 8.8699 125.0078 55.1251 30.4050 175.3917 47 C 4.5304 8.9168 122.6015 59.5771 29.5596 172.9925 48 I 5.0283 8.8301 127.1862 59.5119 38.6426 175.1422 49 C 4.7289 9.4205 127.0081 59.7004 28.8781 172.6772 50 D 5.6122 8.7645 123.2395 52.0290 41.9443 174.9811 51 Y 4.2005 9.3297 120.4447 57.3893 38.0179 174.0377 52 C 4.0309 9.0911 123.2972 60.4785 27.0402 173.8128 53 E 4.0339 7.9078 122.7021 57.2059 30.1008 177.5320 *54 Y 4.6033 8.0819 119.4585 57.2879 37.9670 174.4490 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 2 D 8.22 4.64 0.00 2.70 2.73 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 0.00 0.00 0.00 3 K 8.08 3.67 0.00 1.80 1.84 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.50 7.81 4 C 8.84 4.55 0.00 3.07 3.38 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 5 K 7.89 5.29 0.00 1.62 1.72 0.00 1.78 0.00 0.00 1.85 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.53 7.81 6 K 8.99 4.44 0.00 1.98 1.58 0.00 1.90 0.00 0.00 1.59 0.00 0.00 2.55 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.48 7.81 7 V 8.39 4.17 2.12 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 0.91 0.00 0.00 0.92 0.00 0.00 8 Y 9.05 4.67 0.00 3.12 3.08 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 9 E 8.49 4.70 0.00 1.97 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 2.33 2.59 0.00 10 N 8.25 4.87 0.00 2.94 2.76 0.00 0.00 6.98 7.54 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 11 Y 7.90 4.61 0.00 3.00 2.94 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 12 P 0.00 4.86 0.00 2.16 2.24 0.00 3.04 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.06 0.00 13 V 8.01 4.49 2.09 0.00 0.00 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 1.02 0.00 0.00 14 S 8.83 3.96 0.00 4.09 4.13 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 15 K 8.04 3.93 0.00 1.75 1.92 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.53 7.81 16 C 8.86 4.27 0.00 2.97 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 17 Q 7.86 4.19 0.00 2.22 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 18 L 7.76 4.36 0.00 1.82 1.65 0.90 0.56 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 19 A 8.62 3.91 1.29 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 0.00 0.00 20 N 8.01 4.55 0.00 2.73 2.84 0.00 0.00 7.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 8.18 4.05 0.00 2.27 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.66 0.00 0.00 0.00 0.00 0.00 2.35 2.64 0.00 22 C 8.18 4.17 0.00 3.09 3.03 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 23 N 7.86 4.24 0.00 2.83 3.10 0.00 0.00 6.89 7.25 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 24 Y 8.10 3.69 0.00 3.23 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 25 D 8.90 4.35 0.00 2.72 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 26 C 8.26 3.88 0.00 2.91 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.07 3.85 0.00 1.87 1.73 0.00 1.32 0.00 0.00 1.34 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.44 7.81 28 L 7.54 3.97 0.00 1.77 1.69 0.96 1.05 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 29 D 8.05 4.41 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.19 3.86 0.00 1.25 0.97 0.00 0.61 0.00 0.00 0.82 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.63 0.32 7.81 31 H 8.04 4.65 0.00 3.22 3.31 0.00 5.95 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 6.98 3.82 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.63 3.96 0.00 2.01 1.88 0.00 3.19 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.21 0.00 34 S 7.67 4.19 0.00 3.88 3.87 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 0.00 0.00 0.00 0.00 35 G 7.54 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.55 4.62 0.00 2.15 1.70 0.00 0.00 0.00 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 2.45 0.00 37 C 8.35 5.20 0.00 2.65 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.83 4.95 0.00 3.06 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 39 Y 9.10 4.87 0.00 2.89 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 40 D 8.36 4.99 0.00 2.84 2.89 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 41 E 8.69 4.05 0.00 1.99 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 2.33 2.42 0.00 42 K 8.26 4.17 0.00 2.04 1.87 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.48 7.81 43 R 7.87 4.02 0.00 2.04 2.09 0.00 3.48 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 44 N 8.61 4.86 0.00 2.82 2.93 0.00 0.00 7.01 6.49 0.00 0.00 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 L 8.07 4.36 0.00 1.52 1.43 0.86 0.05 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 46 Q 8.87 4.39 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 7.02 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 47 C 8.92 4.53 0.00 3.04 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 48 I 8.83 5.03 2.33 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.68 0.99 0.00 0.00 49 C 9.42 4.73 0.00 3.25 2.88 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 50 D 8.76 5.61 0.00 3.13 2.89 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 51 Y 9.33 4.20 0.00 2.79 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 52 C 9.09 4.03 0.00 3.24 3.12 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 53 E 7.91 4.03 0.00 2.01 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 0.00 2.33 2.38 0.00 *54 Y 8.08 4.60 0.00 2.87 2.87 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.