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Quick Assignments

Quick Assignments

You can quickly assign peaks at any point by left-dragging an NmrResidue or NmrAtom from the sidebar onto one or more selected peaks. If you have made a mistake, simply undo it with Ctrl + Z (Cmd + Z on a Mac). If you drag an additional NmrResidue/Atom onto the peak, that assignment will be added, too. If you wish, you can select multiple peaks in multiple spectra and/or displays and drag and drop NmrResidues or NmrAtoms onto them all in one go - just make sure you do the drop on top of one of the peaks.

If you drag and drop an NmrResidue or multiple NmrAtoms which contain multiple NmrAtoms of the same isotope type, then you will be presented with a little pop-up box where you can select exactly which NmrAtoms you wish to assign to the peak(s).

Note that if you have not selected any peaks, dragging an NmrResidue or NmrAtoms onto your display will place marks at the chemical shifts associated with the NmrResidue or NmrAtoms. If the NmrAtoms have several different chemical shifts in different Chemical Shift Lists, then all of the chemical shifts will be marked.

Example: Quickly making assignments for an HSQC

If the assignments for your protein's HSQC are already available, you can quickly add these to a spectrum in Analysis in the following way:

Load your HSQC spectrum by dragging it into the drop area. Peak pick the spectrum, e.g. by holding down Shift + Ctrl (Shift + Cmd on a Mac) while left-dragging the mouse over all your peaks.
Load your protein sequence by dropping a FASTA file into your project. Create a new NmrChain by opening up the NmrChains in the sidebar and double-clicking on New NmrChain. Select Clone from Chain and select the Chain that was created when you loaded in your sequence. Now you have a new NmrChain containing your full protein sequence. You can then assign your HSQC directly, by selecting each peak and dragging the correct NmrResidues onto it.

For more detailed information on each of these steps see:
Loading Spectra
Peak Picking
Adding Sequences