Hi,
I noticed that the connection between non-stereospecific proton and
carbon, say Cga and Hga, is not retained when shifts are saved into
CYANA .prot file. To be specific, in my project I have Cga = 23.12, Cgb
= 21.89, Hga = 0.76, Hgb = 0.86.
In .prot Hga and Hgb are swapped:
1374 0.861 0.008 QG1 170
1375 0.763 0.009 QG2 170
1376 23.112 0.071 CG1 170
1380 21.891 0.063 CG2 170
The shifts are taken from the assigned 3D peaks, where the connection
and the spectrum type seem to be correct. I attached the snapshots for
clarity. How can I avoid the swap?
Cheers
Igor
--
Dr. Igor Barsukov
Biological NMR Centre,
University of Leicester
PO Box 138,
University Road,
Henry Wellcome Building,
Leicester LE1 9HN
UK
E-mail: [log in to unmask]
Tel: +44 (0)116 229 7098
FAX: +44 (0)116 229 7053
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