NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.7962 8.4549 115.5920 55.4806 44.9725 171.2581 2 K 4.5229 8.5722 117.9196 53.3945 36.6001 176.7169 3 S 4.4448 8.8730 120.2919 58.9101 64.6758 176.4280 *5 G 4.4471 9.0386 115.4794 46.8717 0.0000 171.6717 6 S 4.2645 7.8102 116.0791 58.1143 63.6285 174.0160 7 S 5.3949 8.9700 122.8530 59.0092 61.0855 173.2915 8 C 4.7891 8.1018 125.2587 54.4779 44.6086 171.3004 9 S 4.2225 8.3708 119.2520 58.8248 68.2216 175.9669 10 K 4.3688 9.0243 114.5487 57.5874 33.2800 176.9391 11 T 3.5227 7.4345 106.5308 62.7228 69.4023 174.8667 12 S 4.0413 7.4505 115.9619 58.5161 61.1074 172.1509 13 Y 4.8462 7.8277 124.2301 57.9141 38.2803 176.7274 14 N 4.8314 8.0769 115.6681 53.8693 37.0636 174.7501 15 C 5.0116 7.9783 117.0978 55.5855 41.3452 174.5193 16 C 4.3746 8.8832 122.5369 59.4866 40.0147 174.0923 17 R 3.9302 6.9246 119.3955 55.9661 29.5572 176.5558 18 S 4.5553 7.7453 108.2738 58.3173 65.6719 176.1284 19 C 4.8090 8.9419 121.1312 54.9996 39.7941 172.8695 20 N 4.0418 8.2971 126.9799 52.3807 40.1744 174.4807 *22 Y 4.8903 8.2234 115.1466 57.6794 39.8988 176.2871 23 T 4.3564 7.6141 106.7685 60.3802 70.1348 174.6839 24 K 3.8115 7.9883 120.8067 57.3875 30.5308 174.3713 25 R 5.2313 7.1595 114.3167 54.3206 34.9149 174.1271 26 C 4.8476 8.6832 118.3442 56.7668 41.6401 173.8137 27 Y 4.2425 8.6700 119.6362 58.4825 37.0546 176.2937 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 4.80 0.00 3.17 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 2 K 8.57 4.52 0.00 1.65 1.74 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.52 1.62 7.81 3 S 8.87 4.44 0.00 3.84 2.96 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 *5 G 9.04 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.81 4.26 0.00 4.00 3.73 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 7 S 8.97 5.39 0.00 3.77 3.81 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 8 C 8.10 4.79 0.00 3.06 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 4.22 0.00 3.74 2.68 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 10 K 9.02 4.37 0.00 1.68 1.80 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.44 7.81 11 T 7.43 3.52 4.09 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 0.00 0.00 0.00 1.16 0.00 0.00 12 S 7.45 4.04 0.00 3.72 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 13 Y 7.83 4.85 0.00 3.07 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 4.83 0.00 2.83 2.82 0.00 0.00 6.98 7.67 0.00 0.00 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 7.98 5.01 0.00 3.07 3.09 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 0.00 0.00 0.00 0.00 16 C 8.88 4.37 0.00 2.98 3.17 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 0.00 17 R 6.92 3.93 0.00 1.87 1.80 0.00 3.35 0.00 0.00 3.29 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.69 0.00 18 S 7.75 4.56 0.00 4.05 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 19 C 8.94 4.81 0.00 3.08 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 20 N 8.30 4.04 0.00 1.44 2.21 0.00 0.00 6.41 8.04 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 *22 Y 8.22 4.89 0.00 3.05 2.91 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 23 T 7.61 4.36 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 24 K 7.99 3.81 0.00 1.94 1.85 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.52 7.81 25 R 7.16 5.23 0.00 1.68 1.81 0.00 3.08 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 26 C 8.68 4.85 0.00 3.06 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 27 Y 8.67 4.24 0.00 2.83 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.