Subject: Re: [nmr_sparky] Combining 'prot' files from 3D 15N NOESY and 13C NOESY
From: Mandar T. Naik
Date: May 25, 2007

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Hi
Please open both 13C and 15N spectra in the same Sparky session. If you
havent manually assigned NOESY, please also load your resonance list
using rl. Now run xe. You need to put the xeasy header manually in the
peaks file. Hope this helps.
-mandar

On Friday 25 May 2007 17:30, Dr. S. Vivekanandan wrote:
Dear Sparky Users,

1. I have analysed all the backbone and sidechain peaks using
backbone and sidechain experiments.

2. I analysed 3D 15N-NOESY and created chemical shift files and peak
file (xe command - click write shifts (filename.prot), and click
write peaks (filename.peaks)

3. I analysed 3D 13C-NOESY and created chemical shift files and peak
file (xe command - click write shifts (filename.prot) and click
write peaks-(filename.peaks)

I use CYANA formy structural calculation.

The chemical shift files (filename.prot) that I derived from 13C
NOESY and 15N NOESY contains different numbers for the same atoms.
This creates problem while running CYANA as the assignment is
different due to two different prot files. I combined two prot
files into one using all_prot.cya which basically combines all the
chemical shifts to one file. But still I am unable to use both my
15N NOESY constaraints and 13C-NOESY constraints together. Can any
one suggest me the solution to this kind of problems I face in
SPARKY. Many Thanks,

Vivekanandan Ph.D