关键词: 寡肽, 质子磁共振谱法, 紫菀, 分子动力学, 溶液构象, 二维核磁共振

Several 2D NMR techniques have been used to assign all proton resonances of Asterin B and C, which were biologically active peptides isolated from Aster tataricus. Recognition of the amino acid spin systems has been achieved by COSY spectra, including two new residues ( ΔPro and βPhe) in plant peptide. The sequential assignments were obtained based on the combination of COSY and NOESY spectra and confirmed the amino acid sequence in both peptides. These assignments provide an essential foundation for elucidation of their solution conformations based on NMR data and restrained MD simulations.

Key words: OLIGOPEPTIDE, PROTON MAGNETIC RESONANCE SPECTROMETRY, ASTER TATARICUS, MOLECULAR DYNAMICS