> I just discovered that for some of my LEU residues, the
> non-stereospecifically assigned methyl carbons are somehow both assigned to
> Cdb, even though they have different shifts (see screen shot). When I try to
> reassign one of them to Cda (by selecting it in the edit assignment popup,
> then hitting re-assign XLeuCdb, and then selecting Cda in the atom browser
> popup) nothing happens. Therefore the ppm.out I have been using for my
> structure calculations lists CD1 and CD2 as having the same shift.
>
> I suspect this may be a result of transferchainassignments which also made a
> few other mistakes I already managed to fix, but in any case how can I sort
> it out?
Bryn and I have been investigating similar phenomena, and a longer reply
with our solutions will follow from him...
In essence the problem could be:
1) Both Cdb atoms have a one-bond relationship to Hb* given a peak
assignment.
2) From a known issue which appears after transferring chain assignments
(although it is not the fault of this particular function). The
problem comes when resonances are merged and resonance assignNames get
appended rather than refreshed. This is fixed for the next release.
T.
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Dr Tim Stevens Email: [log in to unmask]
Department of Biochemistry [log in to unmask]
University of Cambridge Phone: +44 1223 766022 (office)
80 Tennis Court Road +44 7816 338275 (mobile)
Old Addenbrooke's Site +44 1223 364613 (home)
Cambridge CB2 1GA WWWeb: http://www.bio.cam.ac.uk/~tjs23
United Kingdom http://www.pantonia.co.uk
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