NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)
image mrblock_id pdb_id cing stage position program type
25575 2ka2 cing 1-original 3 XPLOR/CNS coupling constant 

! Karplus restraints from 3J(HN,HA)
! Restraints for Phe161 is not included because its amide overlap with the amide of Phe157

coefficients 6.98 -1.38 1.72 -60.00 

! For monomer "AAAA"
assign (segid "AAAA" and resid 155 and name C) (segid "AAAA" and resid 156 and name N)
       (segid "AAAA" and resid 156 and name CA) (segid "AAAA" and resid 156 and name C)
       5.61     0.50 
assign (segid "AAAA" and resid 156 and name C) (segid "AAAA" and resid 157 and name N)
       (segid "AAAA" and resid 157 and name CA) (segid "AAAA" and resid 157 and name C)
       6.39     0.50 
assign (segid "AAAA" and resid 157 and name C) (segid "AAAA" and resid 158 and name N)
       (segid "AAAA" and resid 158 and name CA) (segid "AAAA" and resid 158 and name C)
       6.02     0.50 
assign (segid "AAAA" and resid 158 and name C) (segid "AAAA" and resid 159 and name N)
       (segid "AAAA" and resid 159 and name CA) (segid "AAAA" and resid 159 and name C)
       3.79     0.50 
assign (segid "AAAA" and resid 159 and name C) (segid "AAAA" and resid 160 and name N)
       (segid "AAAA" and resid 160 and name CA) (segid "AAAA" and resid 160 and name C)
       3.78     0.50 
assign (segid "AAAA" and resid 161 and name C) (segid "AAAA" and resid 162 and name N)
       (segid "AAAA" and resid 162 and name CA) (segid "AAAA" and resid 162 and name C)
       4.48     0.50 
assign (segid "AAAA" and resid 162 and name C) (segid "AAAA" and resid 163 and name N)
       (segid "AAAA" and resid 163 and name CA) (segid "AAAA" and resid 163 and name C)
       3.78     0.50 

! For monomer "BBBB"
assign (segid "BBBB" and resid 155 and name C) (segid "BBBB" and resid 156 and name N)
       (segid "BBBB" and resid 156 and name CA) (segid "BBBB" and resid 156 and name C)
       5.61     0.50 
assign (segid "BBBB" and resid 156 and name C) (segid "BBBB" and resid 157 and name N)
       (segid "BBBB" and resid 157 and name CA) (segid "BBBB" and resid 157 and name C)
       6.39     0.50 
assign (segid "BBBB" and resid 157 and name C) (segid "BBBB" and resid 158 and name N)
       (segid "BBBB" and resid 158 and name CA) (segid "BBBB" and resid 158 and name C)
       6.02     0.50 
assign (segid "BBBB" and resid 158 and name C) (segid "BBBB" and resid 159 and name N)
       (segid "BBBB" and resid 159 and name CA) (segid "BBBB" and resid 159 and name C)
       3.79     0.50 
assign (segid "BBBB" and resid 159 and name C) (segid "BBBB" and resid 160 and name N)
       (segid "BBBB" and resid 160 and name CA) (segid "BBBB" and resid 160 and name C)
       3.78     0.50 
assign (segid "BBBB" and resid 161 and name C) (segid "BBBB" and resid 162 and name N)
       (segid "BBBB" and resid 162 and name CA) (segid "BBBB" and resid 162 and name C)
       4.48     0.50 
assign (segid "BBBB" and resid 162 and name C) (segid "BBBB" and resid 163 and name N)
       (segid "BBBB" and resid 163 and name CA) (segid "BBBB" and resid 163 and name C) 
       3.78     0.50

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