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
11393 1rg3 6040 cing 1-original 4 XPLOR/CNS dihedral angle 


! Dihedral angle restraints (based on secondary structure as defined by local NOE patterns)
!Phi (top) and psi (bottom) angles
! what the 4 numbers at the end of the assign statement mean:
! 1:  energy constant
! 2:  dihedral angle
! 3:  allowed range around dihedral angle
! 4:  exponent of the restraining function
! for beta strands: phi=-120 +/- 30 psi=120 +/- 40
! for alpha helix: phi=-60 +/- 30 psi=-40 +/- 40
assign (resid  6 and name C  ) (resid  7 and name N  )
       (resid  7 and name CA ) (resid  7 and name C  )  1.0  -60  30 2
assign (resid  7 and name N  ) (resid  7 and name CA )
       (resid  7 and name C  ) (resid  8 and name N  )  1.0  -40  40 2
assign (resid  7 and name C  ) (resid  8 and name N  )
       (resid  8 and name CA ) (resid  8 and name C  )  1.0  -60  30 2
assign (resid  8 and name N  ) (resid  8 and name CA )
       (resid  8 and name C  ) (resid  9 and name N  )  1.0  -40  40 2
assign (resid  8 and name C  ) (resid  9 and name N  )
       (resid  9 and name CA ) (resid  9 and name C  )  1.0  -60  30 2
assign (resid  9 and name N  ) (resid  9 and name CA )
       (resid  9 and name C  ) (resid  10 and name N  )  1.0  -40  40 2
assign (resid  9 and name C  ) (resid  10 and name N  )
       (resid  10 and name CA ) (resid  10 and name C  )  1.0  -60  30 2
assign (resid  10 and name N  ) (resid  10 and name CA )
       (resid  10 and name C  ) (resid  11 and name N  )  1.0  -40  40 2
assign (resid  10 and name C  ) (resid  11 and name N  )
       (resid  11 and name CA ) (resid  11 and name C  )  1.0  -60  30 2
assign (resid  11 and name N  ) (resid  11 and name CA )
       (resid  11 and name C  ) (resid  12 and name N  )  1.0  -40  40 2
assign (resid  11 and name C  ) (resid  12 and name N  )
       (resid  12 and name CA ) (resid  12 and name C  )  1.0  -60  30 2
assign (resid  12 and name N  ) (resid  12 and name CA )
       (resid  12 and name C  ) (resid  13 and name N  )  1.0  -40  40 2
assign (resid  12 and name C  ) (resid  13 and name N  )
       (resid  13 and name CA ) (resid  13 and name C  )  1.0  -60  30 2
assign (resid  13 and name N  ) (resid  13 and name CA )
       (resid  13 and name C  ) (resid  14 and name N  )  1.0  -40  40 2
assign (resid  13 and name C  ) (resid  14 and name N  )
       (resid  14 and name CA ) (resid  14 and name C  )  1.0  -60  30 2
assign (resid  14 and name N  ) (resid  14 and name CA )
       (resid  14 and name C  ) (resid  15 and name N  )  1.0  -40  40 2
assign (resid  14 and name C  ) (resid  15 and name N  )
       (resid  15 and name CA ) (resid  15 and name C  )  1.0  -60  30 2
assign (resid  15 and name N  ) (resid  15 and name CA )
       (resid  15 and name C  ) (resid  16 and name N  )  1.0  -40  40 2
assign (resid  15 and name C  ) (resid  16 and name N  )
       (resid  16 and name CA ) (resid  16 and name C  )  1.0  -60  30 2

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