NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3147 8.1227 123.5821 51.4006 20.5688 178.1492 2 R 3.6312 8.0225 116.5499 57.4737 30.0952 175.7538 3 T 4.1003 7.3039 107.7227 61.7917 69.3753 173.8112 *5 Q 4.0509 8.1597 128.6248 57.4340 29.1948 174.3569 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 A 8.12 4.31 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.02 3.63 0.00 1.86 1.98 0.00 3.24 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 3 T 7.30 4.10 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 *5 Q 8.16 4.05 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.68 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.