NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.6554 8.4549 115.4536 55.2471 43.9924 173.1124 2 K 4.2654 8.2561 120.5793 55.9878 33.9594 176.8658 3 S 4.6172 8.4746 113.0283 60.7833 67.0954 175.1226 *5 G 3.8812 7.9861 106.8389 45.8441 0.0000 172.4786 6 S 4.8722 7.9340 115.7484 56.0928 64.1306 173.3183 7 S 4.6766 8.7026 121.2829 59.5140 62.8974 172.7834 8 C 4.8114 8.7950 117.0819 54.6690 44.1224 173.9423 9 S 4.2369 8.8009 118.6362 60.6718 63.4122 175.7979 *11 T 3.8480 7.4210 108.9903 61.3638 69.2194 175.2706 12 S 3.9908 7.6321 117.2861 60.5943 62.8465 175.4951 13 Y 3.9130 7.2731 116.2742 58.8120 36.0678 171.7805 14 N 4.6401 7.8038 118.5977 55.6323 38.8605 174.4351 15 C 5.4530 7.4567 114.5096 55.3635 43.8120 173.4946 16 C 4.4870 8.9093 119.5610 57.9070 41.9394 174.1109 17 R 4.1914 8.0591 122.0183 56.7591 27.8671 178.3851 18 S 4.7270 9.0384 109.6586 57.5667 68.2851 173.4460 19 C 4.7263 8.7560 122.0825 55.2622 39.6622 172.6961 20 N 3.4130 8.2211 126.4799 53.2316 39.7392 175.0758 *22 Y 4.6176 8.3713 117.0493 57.7957 39.5677 176.6847 23 T 4.2138 7.8370 106.6132 60.8137 70.0237 174.4492 24 K 3.7400 7.9626 122.8362 57.5329 31.1196 174.3780 25 R 4.9234 7.2990 115.0758 54.2649 34.8200 173.9558 26 C 5.0821 8.5303 117.8038 56.3399 41.9604 174.1850 27 Y 4.2539 8.2301 116.4119 58.5004 37.1234 176.1637 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 C 8.45 4.66 0.00 3.13 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 2 K 8.26 4.27 0.00 1.92 1.82 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.53 1.63 7.81 3 S 8.47 4.62 0.00 3.84 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 *5 G 7.99 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 0.00 0.00 0.00 6 S 7.93 4.87 0.00 3.92 3.74 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 7 S 8.70 4.68 0.00 3.89 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 8 C 8.80 4.81 0.00 2.89 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.80 4.24 0.00 3.82 3.90 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 *11 T 7.42 3.85 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 1.11 0.00 0.00 12 S 7.63 3.99 0.00 3.86 3.97 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 13 Y 7.27 3.91 0.00 3.24 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 14 N 7.80 4.64 0.00 2.88 2.88 0.00 0.00 6.80 7.53 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 15 C 7.46 5.45 0.00 3.14 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 16 C 8.91 4.49 0.00 2.98 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 4.19 0.00 1.80 1.45 0.00 3.30 0.00 0.00 3.24 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.81 0.00 18 S 9.04 4.73 0.00 3.83 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 C 8.76 4.73 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 3.41 0.00 1.44 2.36 0.00 0.00 6.84 8.61 0.00 0.00 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 Y 8.37 4.62 0.00 3.04 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 23 T 7.84 4.21 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 1.23 0.00 0.00 24 K 7.96 3.74 0.00 1.96 1.85 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.33 7.81 25 R 7.30 4.92 0.00 1.68 1.83 0.00 3.14 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.78 0.00 26 C 8.53 5.08 0.00 2.90 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 27 Y 8.23 4.25 0.00 2.85 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 * Residues marked with a * may have inaccurate shift predictions.