NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)
image mrblock_id pdb_id cing stage position program type
3687 1e10 cing 1-original 4 XPLOR/CNS dihedral angle 

! Dihedral angle restraints to maintain the geometry of the
! cluster vicinity

assign (resid 63 and name N) (resid 63 and name CA)
       (resid 63 and name CB) (resid 63 and name SG) 20 80 30 2

assign (resid 68 and name N) (resid 68 and name CA)
       (resid 68 and name CB) (resid 68 and name SG) 20 85 30 2

assign (resid 71 and name N) (resid 71 and name CA)
       (resid 71 and name CB) (resid 71 and name SG) 20 70 30 2

assign (resid 102 and name N) (resid 102 and name CA)
       (resid 102 and name CB) (resid 102 and name SG) 20 70 30 2



assign (resid 63 and name CA) (resid 63 and name CB)
       (resid 63 and name SG) (resid 1 and name FE1 and segid "FE_S") 20 -60 30 2

assign (resid 68 and name CA) (resid 68 and name CB)
       (resid 68 and name SG) (resid 1 and name FE1 and segid "FE_S") 20 -60 30 2

assign (resid 71 and name CA) (resid 71 and name CB)
       (resid 71 and name SG) (resid 1 and name FE2 and segid "FE_S") 20 -130 30 2

assign (resid 102 and name CA) (resid 102 and name CB)
       (resid 102 and name SG) (resid 1 and name FE2 and segid "FE_S") 20 -120 30 2


assign (resid 63 and segid "" and name SG) (resid 1 and segid "FE_S" and name FE1)
       (resid 1 and segid "FE_S" and name S1) (resid 1 and segid "FE_S" and name FE2) 20 110 30 2

assign (resid 68 and segid "" and name SG) (resid 1 and segid "FE_S" and name FE1)
       (resid 1 and segid "FE_S" and name S1) (resid 1 and segid "FE_S" and name FE2) 20 -120 30 2

assign (resid 71 and segid "" and name SG) (resid 1 and segid "FE_S" and name FE2)
       (resid 1 and segid "FE_S" and name S2) (resid 1 and segid "FE_S" and name FE1) 20 -130 30 2

assign (resid 102 and segid "" and name SG) (resid 1 and segid "FE_S" and name FE2)
       (resid 1 and segid "FE_S" and name S2) (resid 1 and segid "FE_S" and name FE1) 20 120 30 2

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