hello
this is a kind of related question. Using either format converter 'export
cns' or 'export aria list' gives restraints along the lines of:
assign ( resid 25 and name HN ) ( resid 26 and name HD2 or resid 26 and name
HD3 ) 4.054 1.972 1.972
whereas if aria assigned the peak it would write out something like:
assign ( resid 25 and name HN ) ( resid 26 and name HD2 ) 4.054 1.972 1.972
! spec=N_ed...oesy, no=1198, id=3871
or ( resid 25 and name HN ) ( resid 26 and name HD3 )
And infact aria would write it out explicitly like this even if it was a
methyl group:
assign (resid 78 and name HD12) (resid 78 and name HG12) 2.447 0.719
0.719 ! spec=C_ed...oesy, no=45, id=10
or (resid 78 and name HD11) (resid 78 and name HG12)
or (resid 78 and name HD13) (resid 78 and name HG12)
Is there any difference between these as far as either aria or cns is concerned?
thanks,
simon
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