hello
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?
thanks,
simon
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