NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 G 3.9515 8.3431 109.7364 45.4857 0.0000 172.8382 -1 G 3.5301 8.6090 106.9878 48.4676 0.0000 174.6730 0 S 4.2352 7.8814 112.4348 59.3315 63.4038 174.0026 0 E 4.1152 7.9914 116.9348 57.6315 29.5038 176.0026 3 R 3.9461 8.0128 117.4393 58.5696 29.4057 178.5721 4 I 3.7475 7.3178 118.9309 63.6231 38.0510 177.8265 5 K 3.9534 7.9753 119.0199 59.3234 31.8738 178.6581 6 E 3.9008 8.1190 119.0568 59.1783 29.4046 178.3738 7 L 3.9194 7.6929 118.9690 58.2500 42.2393 178.5066 8 R 4.0280 8.0830 117.6495 59.6124 30.0431 177.9176 9 N 4.5457 8.2971 115.7185 55.9221 38.9219 178.4232 10 L 4.2220 8.2252 122.0576 54.5141 41.4897 178.8951 *12 S 4.5446 8.0504 114.4138 57.8674 65.1043 174.5794 13 Q 4.7133 7.4794 118.9934 53.2709 32.1964 176.2417 14 S 4.1018 8.6408 119.7786 61.6815 62.9666 176.8972 15 R 3.8529 7.9118 122.1333 59.2943 29.9909 178.4589 16 T 3.8999 7.8394 109.1626 64.6373 68.8319 176.1462 17 R 3.8642 8.1980 121.6542 59.2174 30.1177 178.1785 18 E 3.9585 8.3464 118.3700 59.5864 29.5192 179.3044 19 I 3.7059 7.6616 119.5523 64.7068 37.0208 178.5951 20 L 4.1039 7.8927 118.3220 57.5505 41.5079 179.1061 21 T 4.1586 7.9354 109.0675 63.8612 69.1415 176.4993 22 K 4.2895 7.9370 119.9439 57.0590 32.9171 177.3443 23 T 4.2534 7.3622 116.5138 62.9304 69.1657 174.7983 24 T 4.2972 8.2373 116.3024 60.5730 70.2971 175.7795 25 V 3.5845 8.3995 122.6190 66.3147 31.7055 177.0505 26 D 4.4827 8.1399 117.8920 57.8508 41.3773 177.3210 27 H 4.5746 7.8085 117.1503 55.2942 27.7632 176.1567 *29 A 4.2472 7.7607 124.6330 52.4139 20.8057 179.2525 30 I 3.7633 7.7973 115.0337 64.7306 37.4055 178.1054 31 I 3.9462 8.1851 120.5340 64.5921 37.0762 178.6098 32 K 3.9295 8.1517 118.6898 59.4788 31.6235 178.9096 33 K 3.7938 8.3470 119.3291 58.8813 31.9802 176.9172 34 Y 4.5934 7.4647 113.9637 57.9209 38.2145 175.8071 35 T 4.2292 7.7291 123.0150 63.7520 68.7475 174.4557 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 G 8.34 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 0.00 0.00 0.00 -1 G 8.61 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 S 7.88 4.24 0.00 3.90 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 E 7.99 4.12 0.00 2.07 1.97 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 2.40 2.21 0.00 3 R 8.01 3.95 0.00 2.07 2.29 0.00 2.77 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 4 I 7.32 3.75 1.97 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 1.64 1.45 0.95 0.00 0.00 5 K 7.98 3.95 0.00 1.98 1.84 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.50 7.81 6 E 8.12 3.90 0.00 2.03 2.07 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 2.38 2.37 0.00 7 L 7.69 3.92 0.00 1.68 1.84 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.08 4.03 0.00 1.94 2.09 0.00 3.48 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 9 N 8.30 4.55 0.00 2.83 2.86 0.00 0.00 7.10 7.45 0.00 0.00 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 L 8.23 4.22 0.00 1.97 1.68 0.92 0.81 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 *12 S 8.05 4.54 0.00 4.02 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.48 4.71 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 14 S 8.64 4.10 0.00 4.04 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 R 7.91 3.85 0.00 1.94 1.96 0.00 3.23 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 16 T 7.84 3.90 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 17 R 8.20 3.86 0.00 1.95 2.18 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 18 E 8.35 3.96 0.00 2.33 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 2.33 2.53 0.00 19 I 7.66 3.71 2.00 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 1.53 0.88 0.92 0.00 0.00 20 L 7.89 4.10 0.00 1.63 1.73 0.94 0.80 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 21 T 7.94 4.16 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 1.28 0.00 0.00 22 K 7.94 4.29 0.00 1.88 1.91 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.60 7.81 23 T 7.36 4.25 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 24 T 8.24 4.30 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 1.17 0.00 0.00 25 V 8.40 3.58 2.07 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 0.81 0.00 0.00 0.93 0.00 0.00 26 D 8.14 4.48 0.00 2.61 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 27 H 7.81 4.57 0.00 3.27 3.26 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *29 A 7.76 4.25 1.33 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 0.00 0.00 0.00 30 I 7.80 3.76 2.11 0.00 0.00 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 1.70 0.64 0.97 0.00 0.00 31 I 8.19 3.95 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.39 0.95 0.00 0.00 32 K 8.15 3.93 0.00 1.92 1.86 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.52 7.81 33 K 8.35 3.79 0.00 1.67 1.78 0.00 1.64 0.00 0.00 1.46 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.51 1.17 7.81 34 Y 7.46 4.59 0.00 2.98 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 35 T 7.73 4.23 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.