NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 P 4.3034 0.0000 0.0000 62.7741 32.6168 174.0927 1 Y 4.2716 8.2676 120.8112 54.4401 40.8393 173.8904 *3 P 4.2758 0.0000 0.0000 62.3531 33.6394 176.3164 4 T 4.3790 7.4870 107.7106 61.3499 69.2974 174.7249 5 S 4.2530 7.4388 116.6332 57.4914 63.7829 172.3983 6 P 4.3954 0.0000 0.0000 63.0477 31.0081 176.5545 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 P 0.00 4.30 0.00 2.06 2.10 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.08 0.00 1 Y 8.27 4.27 0.00 2.99 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 *3 P 0.00 4.28 0.00 2.26 2.29 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.99 0.00 4 T 7.49 4.38 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 5 S 7.44 4.25 0.00 3.91 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 6 P 0.00 4.40 0.00 2.06 2.01 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 * Residues marked with a * may have inaccurate shift predictions.