Print

---

Hi Tim and thanks for your answer.

I have obviously phrased my question badly.
I can understand that you are baffled,
I have apparently managed to confuse myself while I posted it!

What I meant to say is that when I use the
"Copy assignments" function, it copies or moves the
resonances from ALREADY ASSIGNED spectra to another molecule.

What I want to do is specify a second molecule for a
second set of spectra and "transfer" my assignments
between these two sets.

Let me try to clarify:

Assume I have 2 HSQC spectra, one of molecule A,
the other of molecule B.
The sequence of B differs from A only by a single amino acid.

As a result, HSQC A and HSQC B look extremely similar.

I have already completely assigned HSQC A.

I then expand my Analysis project to encompass
both molecules A and B, as follows:

1. Add HSQC B to my project and specify a new shiftlist ("Shiftlist 2").
2. Add a new molecule (MS2) to my project ("Molecules:Molecular Systems")
3. Make a new chain (the sequence of B) in molecule MS2 ("Molecules:Molecule
Templates")

So far, so good.

Next, looking at the superposition of HSQC A and HSQC B,
I notice an isolated crosspeak that is "conserved" in both spectra.

In HSQC A, this crosspeak is assigned to "28TrpH - 28TrpN" (in MS1).
Hence, the more or less superimposed peak in HSQC B
should be assigned as "28TrpH - 28TrpN" (in MS2).

Is there any way to get Analysis to do this automatically
within certain tolerances, such as:
[HSQC A]: "28TrpH (MS1)" <-> [HSQC B]: "28TrpH (MS2)" ?

Or is my only option to select each picked crosspeak in
HSQC (B) individually, go to the assignemnt panel, remember
to select "Shiftlist 2" and "Molecule B", and assign it manually
to the corresponding residue (in this example, 28Trp) in molecule B?

I think the problem is that I have not found a way to specify
that all resonances in HSQC B will correspond to MS2
while all resonances in HSQC A remain tied to MS1.

I hope my question makes more sense now...