Abstract: A complete relaxation matrix analysis method is used for processing the peak intensity matrix of phase sensitive NOESY spectrum of ponicidin in which a few cross peaks and diagonal peaks are overlapped. The initial structural model of ponicidin is established by using a series of structure calculation program such as WUPH and MM2. The theoretical peak intensity matrix of NOESY spectrum is calculated based on the molecular model of ponicidin. The mixing peak intensity matrix is consistant with experimental peak intensity matrix in which the intensities of overlapped peaks are replaced by theoretical peaks intensities. Then, the cross relaxation rates between protons are obtained by diagonalizing the mixing peak intensity matrix, and the inter-proton distances are calculated according to l/r_ij⁶∝σ_ij. The calculated results of complete relaxation matrix analysis method are in agreement with the inter-proton distances calculated by molecular mechanics.

Key words: Ponicidin, NOESY, Complete relaxation analysis