Subject: How to check Mirror peaks in aromatic NOESY spectra?
From: evanspap
Date: May 10, 2007

Next: 370


Hi all,
I have been using successfully the mirror peak assignments checking
tool. It is very useful for the NOESY spectra assignments to derive
constraints for the final structure calculation. However it supports
only one C-hsqc-Noesy and one N-hsqc-Noesy.

But I have acquired an aromatic C-hsqc-Noesy. By that I mean that the
Carbon dimension is centered in the aromatic region around 125ppm +-
10ppm. Therefore I can detect the aromatic ring protons in the direct
dimension labeled through hsqc by the aromatic Carbons attached to
them; and in the indirect dimension is see protons where the
magnetization has been transfered through NOE.

My question is how to automatically check between the mirror cross
peaks of the the aromatic proton to methyl proton labeled by aromatic
Carbon in the one NOESY spectra and then labeled by the methyl Carbon
in the other normal aliphatic C-Noesy-Hsqc? Does anyone know of any
trick or script available? Or I guess some modification to the
existing mirror peak assignments checking tool will do it.
Thank you in advance!
Evangelos