Hi,
I've just been looking at the atom assignment summary in my project,
which is both useful & informative. However, I think the mean shift
column is very suspect. In the case of my carbonile carbons the min &
max shifts are listed as 170.059 & 178.47, which appears to be correct.
The maximum mean shift however is listed as 150.914, which seems to be
impossible. In the case of amide nitrogen min & max shifts are 104.658
& 132.039, again this appears to be correct. The mean however is
103.226. I have two molecular systems in this project however both
appear to give similar values for the
I think it would also be useful to have a row which shows the number of
assigned non-proline amides.
Cheers
Andy
--
Dr Andy Herbert
Department of Chemistry
University of Edinburgh
West Mains Road
Edinburgh
UK
EH9 3JJ
Tel: +44 (0)131 650 4704 or 650 7372
Email: [log in to unmask]
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