NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type
9030 1na2 5632 cing 1-original 2 XPLOR/CNS planarity


!{* keep Gua amino groups flat *}
for $namin in (1 2 3 6 15 18 26) loop amino 

restraints  dihedral

 scale= 1.0

assign 
   (resid $namin and name H21 )
   (resid $namin and name N2  )
   (resid $namin and name C2  )
   (resid $namin and name N1  )        3.0  0.0  3.0  2
assign 
   (resid $namin and name H22 )
   (resid $namin and name N2  )
   (resid $namin and name C2  )
   (resid $namin and name N3  )        3.0  0.0  3.0  2
end

end loop amino

!{* keep cytosine amino flat *}
for $namin2 in (4 12 14 16 20 24 27 28 29 30) loop amino2

 restraints dihedral

 scale= 1.0

assign 
    (resid $namin2 and name H41)
    (resid $namin2 and name N4 )
    (resid $namin2 and name C4 )
    (resid $namin2 and name N3 )       3.0  0.0  3.0  2

assign
    (resid $namin2 and name H42)
    (resid $namin2 and name N4 )
    (resid $namin2 and name C4 )
    (resid $namin2 and name C5 )       3.0  0.0  3.0  2  
end 

end loop amino2

!{* keep adenine amino flat *}
for $namin3 in (19 25) loop amino3

 restraints dihedral

 scale= 1.0

assign 
    (resid $namin3 and name H61)
    (resid $namin3 and name N6 )
    (resid $namin3 and name C6 )
    (resid $namin3 and name N1 )       3.0  0.0  3.0  2

assign
    (resid $namin3 and name H62)
    (resid $namin3 and name N6 )
    (resid $namin3 and name C6 )
    (resid $namin3 and name C5 )       3.0  0.0  3.0  2  
end 

end loop amino3



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