NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9186 8.3544 109.7402 45.7573 0.0000 174.6259 2 E 3.9872 7.7895 123.0137 55.3302 27.6747 174.5588 *5 Y 4.4811 8.5129 124.7431 57.5421 42.1304 176.5864 6 Q 3.9640 8.5867 118.8496 59.1037 28.6808 178.8763 7 K 3.9723 7.9851 117.2832 59.3096 32.3553 178.4562 8 M 4.1927 7.4830 118.6411 57.7019 32.4129 178.5770 9 L 4.1938 7.5727 120.5585 54.3920 41.4807 178.5135 *11 N 4.6394 8.1906 118.6342 53.6380 40.8809 175.4382 12 L 4.0858 7.8889 118.2546 57.9309 41.7699 181.1137 13 R 4.3040 7.6156 117.7871 56.1264 29.5610 177.2495 *15 A 4.3524 8.0806 120.9513 51.7174 20.6858 179.4341 16 E 4.0613 7.7077 116.4554 59.2379 29.6752 178.9531 17 V 3.6216 7.8624 117.8895 65.1790 31.2435 177.4772 18 K 3.8256 7.3625 117.0460 60.2709 32.0509 178.5947 19 K 4.0641 7.5416 119.4645 59.2990 32.3940 178.0230 20 N 4.4983 8.0146 113.4727 54.8550 39.0994 174.7762 21 A 4.3037 7.7959 126.4191 53.0760 18.7899 176.8308 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 8.35 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.79 3.99 0.00 2.06 1.90 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 2.43 2.32 0.00 *5 Y 8.51 4.48 0.00 3.20 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 6 Q 8.59 3.96 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.74 0.00 7 K 7.99 3.97 0.00 1.72 1.87 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.50 7.81 8 M 7.48 4.19 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 9 L 7.57 4.19 0.00 1.77 1.55 0.89 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 *11 N 8.19 4.64 0.00 2.67 2.90 0.00 0.00 7.24 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.89 4.09 0.00 1.80 1.62 0.76 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 13 R 7.62 4.30 0.00 1.86 1.90 0.00 3.31 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 *15 A 8.08 4.35 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 16 E 7.71 4.06 0.00 2.02 1.94 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 0.00 2.30 2.35 0.00 17 V 7.86 3.62 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 0.98 0.00 0.00 0.98 0.00 0.00 18 K 7.36 3.83 0.00 2.00 2.00 0.00 1.54 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.54 1.68 7.81 19 K 7.54 4.06 0.00 1.75 1.87 0.00 1.80 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.44 7.81 20 N 8.01 4.50 0.00 2.73 2.89 0.00 0.00 6.94 7.96 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 21 A 7.80 4.30 1.34 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.