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 subtype subsubtype
561647 2m02 17937 cing 1-original 1 XPLOR/CNS distance NOE simple 

!Every residue number in the assign sentence is 26 smaller than real residue number. Because the residue 27 is the first residue that we can assign in 13C-13C DARR or R2 spectra for U-13C, 2-13C, or 1,3-13C labeled CAP-Gly samples, we took residue 27 as the first residue in the structure calculation and every residue number is shifted by 26 in the constraints file. 


! File:2-labeled_CAP-Gly_50ms.list resid1      resid2              

assign (resid 3 and name ca ) (resid 3 and name cb) 2.125 1.125 1.125 !V29CA-CB strong intra     
assign (resid 3 and name cb)  (resid 3 and name ca ) 2.125 1.125 1.125 !V29CB-CA strong intra    
assign (resid 7 and name ca ) (resid 7 and name cb) 2.125 1.125 1.125 !V33CA-CB strong intra     
assign (resid 7 and name cb)  (resid 7 and name ca ) 2.125 1.125 1.125 !V33CA-CB strong intra    
assign (resid 9 and name ca ) (resid 9 and name cb ) 2.125 1.125 1.125 !V35/96CA-CB strong intra
    OR (resid 70 and name ca ) (resid 70 and name cb )
assign (resid 9 and name cb ) (resid 9 and name ca ) 2.125 1.125 1.125 !V35/96CB-CA strong intra
    OR (resid 70 and name cb ) (resid 70 and name ca )
assign (resid 10 and name ca ) (resid 10 and name cb ) 2.75 1.75 1.75 !I36CA-CB med intra    
assign (resid 10 and name cb ) (resid 10 and name ca ) 2.75 1.75 1.75 !I36CB-CA med intra    

assign (resid 17 and name c ) (resid 17 and name cb ) 2.75 1.75 1.75 !T43C-CB med intra    
assign (resid 17 and name cb ) (resid 17 and name c ) 2.75 1.75 1.75 !T43CB-C med intra    

assign (resid 18 and name c ) (resid 18 and name cb) 2.75 1.75 1.75 !V44C-CB med intra     
assign (resid 18 and name ca ) (resid 17 and name c) 3.3 2.3 2.3 !V44CA-T43C weak sqntl     
assign (resid 18 and name ca ) (resid 18 and name cb) 2.125 1.125 1.125 !V44CA-CB  strong intra    
assign (resid 18 and name cb)  (resid 18 and name c ) 2.75 1.75 1.75 !V44CB-C weak intra    
assign (resid 18 and name cb)  (resid 18 and name ca ) 2.125 1.125 1.125 !V44CB-CA strong intra    
assign (resid 18 and name cb)  (resid 18 and name cg1) 2.75 1.75 1.75 !V44CB-CG med intra    
assign (resid 18 and name cg1 ) (resid 18 and name cb) 2.75 1.75 1.75 !V44Cg-CB med intra     
    
assign (resid 20 and name ca ) (resid 20 and name cg) 3.3 2.3 2.3  !Y46CA-CG weak intra    
assign (resid 20 and name cb)  (resid 20 and name ca ) 3.3 2.3 2.3 !Y46CB-CA weak intra    
assign (resid 20 and name cg)  (resid 20 and name ca ) 3.3 2.3 2.3 !Y46CG-CA weak intra    
   
assign (resid 21 and name ca)  (resid 21 and name c) 2.75 1.75 1.75 !V47CA-C med intra     
assign (resid 21 and name ca)  (resid 21 and name cb) 2.125 1.125 1.125 !V47CA-CB strong intra     
assign (resid 21 and name ca)  (resid 21 and name cg1) 2.75 1.75 1.75 !V47CA-CG1 med intra     
assign (resid 21 and name cb)  (resid 21 and name ca) 2.125 1.125 1.125 !V47CB-CA strong intra     
assign (resid 21 and name cg1)  (resid 21 and name ca) 2.75 1.75 1.75 !V47CG1-CA  med intra    
assign (resid 25 and name c ) (resid 25 and name cb ) 2.75 1.75 1.75 !L51C-CB med intra    
assign (resid 25 and name c ) (resid 25 and name cg ) 2.75 1.75 1.75 !L51C-CG med intra    
    
assign (resid 25 and name cb ) (resid 25 and name c ) 2.75 1.75 1.75 !L51CB-C med intra

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