NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)
image mrblock_id pdb_id cing stage position program type subtype subsubtype
647464 6jwd cing 1-original 2 XPLOR/CNS distance NOE ambi 

!berberine

! intra

assign (segid BER and resid 1 and name H161)  
       (segid BER and resid 1 and (name H201 or name H202 or name H203)) 1.8 0.0 1.7

assign (segid BER and resid 1 and name H91)  
       (segid BER and resid 1 and (name H101 or name H102)) 1.8 0.0 4.2

assign (segid BER and resid 1 and (name H71 or name H72))  
       (segid BER and resid 1 and (name H101 or name H102)) 1.8 0.0 1.7  !! two different H

assign (segid BER and resid 1 and (name H71 or name H72))  
       (segid BER and resid 1 and (name H101 or name H102)) 1.8 0.0 1.7  !! two different H

assign (segid BER and resid 1 and (name H191 or name H192 or name H193))  
       (segid BER and resid 1 and (name H201 or name H202 or name H203)) 1.8 0.0 3.2

assign (segid BER and resid 1 and name H101) (segid BER and resid 1 and name H102) 1.8 0.0 1.7


!inter

assign (segid RET and resid 3 and name H2'') 
       (segid BER and resid 1 and name H51) 1.8 0.0 5.5

assign (segid RET and resid 3 and name H2'') 
       (segid BER and resid 1 and (name H171 or name H172)) 1.8 0.0 4.2

assign (segid RET and resid 9 and name H8) 
       (segid BER and resid 1 and name H51) 1.8 0.0 6.5

assign (segid RET and resid 13 and name H2') 
       (segid BER and resid 1 and (name H191 or name H192 or name H193)) 1.8 0.0 5.2

assign (segid RET and resid 13 and name H2'') 
       (segid BER and resid 1 and (name H191 or name H192 or name H193)) 1.8 0.0 5.2

assign (segid RET and resid 13 and name H1) 
       (segid BER and resid 1 and (name H71 or name H72)) 1.8 0.0 4.2

assign (segid RET and resid 13 and name H8) 
       (segid BER and resid 1 and (name H191 or name H192 or name H193)) 1.8 0.0 5.2

assign (segid RET and resid 14 and name H1') 
       (segid BER and resid 1 and (name H201 or name H202 or name H203)) 1.8 0.0 5.2

assign (segid RET and resid 14 and name H21) 
       (segid BER and resid 1 and (name H101 or name H102)) 1.8 0.0 3.2

assign (segid RET and resid 16 and name H1') 
       (segid BER and resid 1 and name H161) 1.8 0.0 5.2

assign (segid RET and resid 16 and name H2') 
       (segid BER and resid 1 and (name H201 or name H202 or name H203)) 1.8 0.0 4.2

assign (segid RET and resid 16 and name H2'') 
       (segid BER and resid 1 and (name H71 or name H72)) 1.8 0.0 7.2

assign (segid RET and resid 19 and name H1) 
       (segid BER and resid 1 and (name H71 or name H72)) 1.8 0.0 4.2

assign (segid RET and resid 20 and name H1') 
       (segid BER and resid 1 and name H31) 1.8 0.0 1.7

assign (segid RET and resid 20 and name H2') 
       (segid BER and resid 1 and name H31) 1.8 0.0 3.5

assign (segid RET and resid 16 and name H2'??) 
       (segid BER and resid 1 and (name H201 or name H202 or name H203)) 1.8 0.0 4.2

assign (segid RET and resid 16 and name H2') 
       (segid BER and resid 1 and (name H191 or name H192 or name H193)) 1.8 0.0 4.2

assign (segid RET and resid 4 and name H1')  
       (segid BER and resid 1 and (name H171 or name H172)) 1.8 0.0 4.2

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