NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1025 8.2644 123.5549 51.9344 19.8605 176.6575 3 C 4.4282 8.3496 121.8844 53.9538 43.5076 171.5891 4 Y 5.0146 7.8441 124.9414 55.7947 41.1967 175.7218 5 S 4.1696 8.9981 121.1678 61.9725 62.8145 177.0531 6 S 4.1281 8.0817 117.4690 60.9662 62.6664 175.7299 7 D 4.3439 8.0962 120.3135 57.0438 41.1724 178.1809 8 C 4.3887 8.4423 118.3556 59.6033 41.3126 175.2100 9 R 4.1772 7.9780 120.2134 59.4654 29.6200 180.2545 10 V 3.8930 7.7429 110.1283 61.9309 31.4512 177.5977 *12 C 4.6493 8.1545 117.8502 57.1982 43.5069 176.5702 13 V 4.2359 8.6398 118.6851 65.4228 31.2962 177.8262 14 A 4.0394 8.1798 121.8794 55.4714 18.2049 178.2471 15 M 4.2319 8.0006 112.8939 56.0167 32.3772 176.9874 16 G 3.9581 8.0884 106.4269 45.1619 0.0000 174.0296 17 F 4.4695 8.4451 119.2174 56.6077 40.1247 176.7043 18 S 4.3381 9.0305 118.2446 61.0737 63.1144 174.1685 19 S 4.5257 7.9034 112.7893 58.2493 64.8005 172.5212 20 G 4.2227 8.1102 109.7336 44.8450 0.0000 172.6936 *22 C 4.3903 8.4229 115.5899 56.7089 41.0680 173.7465 23 I 4.4211 8.1198 124.5840 60.3207 39.0756 175.2927 24 N 4.0378 9.7502 124.9977 54.5097 36.3822 174.4014 25 S 3.4334 7.7389 110.6597 59.0581 59.2792 170.5059 *27 C 4.2833 7.6457 121.2313 56.3295 44.8558 172.9849 *29 C 4.6773 8.2473 117.8502 56.9586 39.3320 173.9511 30 Y 4.2800 8.8932 118.6786 58.3957 38.3600 175.6234 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 A 8.26 4.10 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.35 4.43 0.00 2.99 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 4 Y 7.84 5.01 0.00 3.06 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 5 S 9.00 4.17 0.00 4.06 4.19 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 6 S 8.08 4.13 0.00 4.09 4.19 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 7 D 8.10 4.34 0.00 2.86 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 8 C 8.44 4.39 0.00 2.95 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.98 4.18 0.00 2.15 2.09 0.00 3.17 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 10 V 7.74 3.89 2.11 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 0.84 0.00 0.00 1.10 0.00 0.00 *12 C 8.15 4.65 0.00 3.27 3.31 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 13 V 8.64 4.24 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 1.32 0.00 0.00 1.04 0.00 0.00 14 A 8.18 4.04 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.00 4.23 0.00 2.24 2.55 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.62 0.00 16 G 8.09 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 0.00 0.00 0.00 17 F 8.45 4.47 0.00 3.28 3.28 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 18 S 9.03 4.34 0.00 4.06 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 4.53 0.00 3.83 3.72 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 20 G 8.11 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *22 C 8.42 4.39 0.00 3.01 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 23 I 8.12 4.42 1.88 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.68 0.93 0.00 0.00 24 N 9.75 4.04 0.00 2.79 2.84 0.00 0.00 7.24 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 25 S 7.74 3.43 0.00 4.01 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 *27 C 7.65 4.28 0.00 2.89 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.25 4.68 0.00 1.64 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 Y 8.89 4.28 0.00 3.01 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 * Residues marked with a * may have inaccurate shift predictions.