NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0311 8.2085 108.0122 46.4428 0.0000 172.4113 2 A 4.5430 8.1168 122.8321 49.4932 22.5202 175.1410 3 Q 4.2134 8.5131 121.7836 54.7823 27.7855 173.1271 4 V 3.9643 7.9361 122.2525 62.8180 32.7748 174.8458 5 S 4.8772 8.4807 121.5077 57.0375 67.5197 172.9824 6 R 4.9365 8.2541 119.7216 55.0650 33.7192 175.2925 7 Q 4.2595 8.5475 119.1223 57.1547 32.6230 173.5991 *23 S 4.0791 7.9268 111.1784 59.0013 63.0799 173.5804 24 I 4.5073 7.8503 127.0554 58.8493 37.9219 173.3826 25 N 5.1035 7.9506 120.4529 52.4532 39.3766 174.4118 26 Y 4.7408 7.8097 122.4616 55.4990 38.0738 174.1644 27 F 4.2600 7.7829 117.5959 57.9322 39.0183 174.9903 28 N 4.3755 7.7605 124.8692 51.8235 36.6954 173.9790 29 I 3.6780 7.5384 122.1233 60.6284 38.6190 175.6192 30 N 4.5859 7.7865 122.6279 51.8584 40.0368 173.9208 31 Y 4.1159 8.2277 123.9461 59.5227 38.3132 175.8597 32 F 4.9505 7.8931 116.7501 55.6371 42.0153 174.7367 33 K 4.5353 8.6949 119.3522 56.4454 31.9824 176.4908 34 D 5.0083 7.7934 118.5544 52.1369 43.6520 176.9816 35 A 4.0020 8.6057 124.9870 55.0826 18.7081 179.7926 36 A 4.1366 7.9267 117.6718 55.0457 18.6396 178.9000 37 S 4.2340 7.7234 111.8811 60.9848 63.0984 175.1206 38 S 4.4719 7.5434 113.6558 57.5225 63.6139 174.9924 39 G 3.8662 8.2716 109.5019 44.6628 0.0000 173.0034 40 A 4.0585 8.5394 121.5177 52.6852 18.7137 178.1405 41 S 4.4457 8.3297 116.7900 58.0439 63.7789 174.7415 42 R 4.1251 8.2567 121.3336 56.2772 30.4497 176.6979 43 L 4.3433 8.1383 120.8535 53.9658 43.5448 176.4973 44 D 4.7387 8.5122 117.8898 55.0744 42.0610 173.0931 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 G 8.21 4.03 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 0.00 2 A 8.12 4.54 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 3 Q 8.51 4.21 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 4 V 7.94 3.96 2.19 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 1.07 0.00 0.00 1.23 0.00 0.00 5 S 8.48 4.88 0.00 3.77 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 6 R 8.25 4.94 0.00 1.62 1.76 0.00 3.29 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.54 0.00 7 Q 8.55 4.26 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.52 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 *23 S 7.93 4.08 0.00 3.89 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.85 4.51 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.00 0.88 0.00 0.00 25 N 7.95 5.10 0.00 1.65 2.15 0.00 0.00 6.99 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 Y 7.81 4.74 0.00 2.71 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.78 4.26 0.00 3.00 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 28 N 7.76 4.38 0.00 1.44 2.11 0.00 0.00 7.27 7.94 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 29 I 7.54 3.68 0.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.82 0.54 0.00 0.00 30 N 7.79 4.59 0.00 2.64 2.58 0.00 0.00 7.20 7.42 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 31 Y 8.23 4.12 0.00 2.40 2.35 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 0.00 32 F 7.89 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 33 K 8.69 4.54 0.00 1.80 1.85 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.50 7.81 34 D 7.79 5.01 0.00 2.76 2.53 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 35 A 8.61 4.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.93 4.14 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 37 S 7.72 4.23 0.00 4.12 4.04 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 38 S 7.54 4.47 0.00 4.05 4.03 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 39 G 8.27 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 0.00 0.00 0.00 40 A 8.54 4.06 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.33 4.45 0.00 3.89 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.26 4.13 0.00 1.83 1.88 0.00 3.25 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 43 L 8.14 4.34 0.00 1.63 1.62 0.92 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 44 D 8.51 4.74 0.00 2.80 2.64 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 * Residues marked with a * may have inaccurate shift predictions.