Dear Pernille,
It looks like the assignments and the experimetn dimensions do not match.
One reason could be simple manual errors somewhere. Another reason could
be that the Experiment Type is set wrongly. This can happen very easily
for experiments like C-HSQC TOCSY, seeing that either proton could be
bound to the carbon, and it is hard to distinguish between the two
different experiment types you would need to describe this. Assuming that
this is a proton TOCSY (and not a arbon TOCSY) the distinction is between
H[C]_H.relayed H_H[C].relayed.
It is generally easy to get confused, between different dimension numberig
conventions. I woudl recommend: 1) go to M:Assignmetn:Quality Reports
{Resonances}. Errors are marked red - find an error that matches the kind
of errors you have been getting, with CA anc/or CB bound to too many
protons. Select is, and click [Show peaks]. That will get you a list of
all peaks where the resonance is found. C heck what assignmetns are found
on which dimensions in which spectra (I recommend clicking the scolumn
headings to sort the entries in order to make iteasier to look at. Find
out which experiment(s) looks doubtful. In parallel, go to
M:Experiment:Experiments {Experiment Types} and select this experiment.
Look at the bottom left table to find out which dimensions it thinks are
diectly bound to which. If you think ti may be wrong, edit the 'Full Type'
column to select a (the) alternative, click [update Table] in the
Quality Reports window, and see if your problem goes away.
In general the Quality Reports window is useful both for periodic checks,
and for trubleshooting spedific assignment problems like this one.
All the best,
Rasmus
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Dr. Rasmus H. Fogh Email: [log in to unmask]
Dept. of Biochemistry, University of Cambridge,
80 Tennis Court Road, Cambridge CB2 1GA, UK. FAX (01223)766002
On Sat, 16 Jun 2012, Pernille Møller wrote:
>
> I have a problem with the assignment. It involves a C-HSQC TOCSY
> spectrum. Well, I keep getting this popup warning “Dimensions 2 and 3 are
> directly bound but resonance {56}CA[171] is already bound to {56}HA[210]
> not {56}[212] (HB) continue with assignment?”. This message appears when
> I want to assign a non-diagonal peak in my 3D C-HSQC TOCSY, but not when
> I want to assign a non-diagonal peak in my 3D N-HSQC TOCSY. For example
> when I want to assign a non-diagonal peak in my C-HSQC TOCSY: I have a CA
> resonance (from 3D HNCA, {56}CA[171]) in F2, a HA resonance (from 3D
> N-HSQC TOCSY, {56}HA[210]) in F1 and a HB resonance (from 3D N-HSQC
> TOCSY, {56}[212] (HB)) which I can use to assign my peak in the 3D C-HSQC
> TOCSY that originates from a coupling between my HA and HB. But when I
> want to assign F3 (HB) this popup warning shows on the screen? Can
> anybody tell me if I doing something wrong or maybe it’s just the setup?
> I think it is weird that I can do the assignment in the N-HSQC TOCSY and
> not in the C-HSQC TOCSY
>
> /Pernille
>
>
>
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