Hi
OK whatever I am assigning for example I have a peak Met QE 18.19 1.94ppm to Ala 3.70 in the peak list but 3.729 in the shift list. If you refer to the resonance table it is reported here as 3.70ppm and hence it gets rejected. I have no attributes reported for a chemical shift of 3.729 so I can only conclude that it is a hangover.
Stu
Stuart Parnham
Department of Biochemistry
and Molecular Biology
Medical University of South Carolina
173 Ashley Ave
Charleston, SC 29425
Tel.: (843) 792 8083
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________________________________________
From: CcpNmr software mailing list [[log in to unmask]] On Behalf Of Wim Vranken [[log in to unmask]]
Sent: Tuesday, March 23, 2010 10:40
To: [log in to unmask]
Subject: Re: shift list peak list errors
Hi Stuart,
> This appears to be occurring with my Thr HG1/Cg2.
Just to clarify, do you mean HG2? The HG1 should only be present if
the oxygen OG1 is protonated and not exchanging very fast - relatively
unusual.
In any case, if you could send me an example of the lines in the XEASY
file, and what you expect to come out based on the CCPN project, I'll
look into it.
Bye,
Wim
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