NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing in_dress stage position program type subtype subsubtype
2199 1bjb cing dress 1-original 1 XPLOR/CNS distance NOE simple


!sp070896arom.tbl, noe's for bA1-28E16, pH 5.6, 296K, SDS/H2O
! noe's to aromatic protons

assign (resid  27 and name  HB* )(resid  27 and name  HD2* ) 0.0 0.0 5.4 ! m                                            
!assign (resid  27 and name  HBu )(resid  27 and name  HD2* ) 0.0 0.0 3.4 ! m     stronger of pair                       
!assign (resid  27 and name  HBd )(resid  27 and name  HD2* ) 0.0 0.0 4.2 ! w                                            
assign (resid  27 and name  HB* )(resid  27 and name  HD2* ) 0.0 0.0 5.4 ! m                                            
assign (resid  15 and name  HG* )(resid  15 and name  HE2* ) 0.0 0.0 4.4 ! mg                                           
assign (resid  15 and name  HB* )(resid  15 and name  HE2* ) 0.0 0.0 4.4 ! mg                                           
assign (resid  15 and name  HG* )(resid  15 and name  HE2* ) 0.0 0.0 4.4 ! mg                                           
assign (resid   5 and name  HA  )(resid   5 and name  HE   ) 0.0 0.0 4.2 ! w                                            
assign (resid   5 and name  HB* )(resid   5 and name  HE   ) 0.0 0.0 4.4 ! m                                            
!assign (resid   5 and name  HBu )(resid   5 and name  HE   ) 0.0 0.0 3.4 ! m                                            
assign (resid   5 and name  HG* )(resid   5 and name  HE   ) 0.0 0.0 4.4 ! mg                                           
assign (resid  14 and name  HA  )(resid  14 and name  HD2  ) 0.0 0.0 3.4 ! m                                            
assign (resid  13 and name  HA  )(resid  13 and name  HD2  ) 0.0 0.0 3.4 ! m                                            
assign (resid   6 and name  HA  )(resid   6 and name  HD2  ) 0.0 0.0 3.4 ! m                                            
assign (resid  14 and name  HB* )(resid  14 and name  HD2  ) 0.0 0.0 4.4 ! m                                            
!assign (resid  14 and name  HBu )(resid  14 and name  HD2  ) 0.0 0.0 3.4 ! m                                            
assign (resid  13 and name  HB* )(resid  13 and name  HD2  ) 0.0 0.0 4.4 ! m                                            
!assign (resid  13 and name  HBu )(resid  13 and name  HD2  ) 0.0 0.0 3.4 ! m                                            
assign (resid   6 and name  HB* )(resid   6 and name  HD2  ) 0.0 0.0 4.4 ! m                                            
!assign (resid   6 and name  HBu )(resid   6 and name  HD2  ) 0.0 0.0 3.4 ! m     part olapped                           
assign (resid  12 and name  HA  )(resid  13 and name  HD2  ) 0.0 0.0 5.0 ! vw                                           
assign (resid  12 and name  HB  )(resid  13 and name  HD2  ) 0.0 0.0 4.2 ! w                                            
assign (resid   4 and name  HA  )(resid   4 and name  HD*  ) 0.0 0.0 4.8 ! sa    think only D*                          
assign (resid  20 and name  HA  )(resid  20 and name  HD*  ) 0.0 0.0 4.8 ! sa    think only D*                          
!assign (resid  17 and name  HA  )(resid  19 and name  HE*  ) 0.0 0.0 6.2 ! wa    uncertain, wrong                              
assign (resid  17 and name  HA  )(resid  20 and name  HD*  ) 0.0 0.0 5.4 ! ma                                           
assign (resid  21 and name  HA  )(resid  20 and name  HD*  ) 0.0 0.0 6.2 ! wa                                           
assign (resid  19 and name  HA  )(resid  19 and name  HD*  ) 0.0 0.0 4.8 ! sa                                           
assign (resid  17 and name  HA  )(resid  19 and name  HD*  ) 0.0 0.0 5.4 ! ma                                           
assign (resid  10 and name  HA  )(resid  10 and name  HD*  ) 0.0 0.0 4.8 ! sa                                           
!assign (resid  10 and name  HA  )(resid  10 and name  HE*  ) 0.0 0.0 6.2 ! ma run4                                          
assign (resid  11 and name  HA  )(resid  10 and name  HD*  ) 0.0 0.0 5.4 ! ma                                           
assign (resid  11 and name  HA  )(resid  10 and name  HE*  ) 0.0 0.0 7.0 ! vwa                                          
assign (resid   9 and name  HA* )(resid  10 and name  HD*  ) 0.0 0.0 7.2 ! wl    uncertain                              
assign (resid  12 and name  HA* )(resid  10 and name  HE*  ) 0.0 0.0 6.4 ! ml    uncertain                              
assign (resid   4 and name  HB* )(resid   4 and name  HD*  ) 0.0 0.0 5.8 ! sa                                           
!assign (resid   4 and name  HBu )(resid   4 and name  HD*  ) 0.0 0.0 4.8 ! sa                                           
assign (resid  20 and name  HB* )(resid  20 and name  HE*  ) 0.0 0.0 6.4 ! ml    uncertain                              
assign (resid  20 and name  HB* )(resid  20 and name  HD*  ) 0.0 0.0 5.8 ! sl                                           
assign (resid  10 and name  HB* )(resid  10 and name  HD*  ) 0.0 0.0 5.8 ! sl                                           
assign (resid  10 and name  HB* )(resid  10 and name  HE*  ) 0.0 0.0 6.4 ! ml                                           
assign (resid  16 and name  HG* )(resid  19 and name  HD*  ) 0.0 0.0 8.0 ! vwl                                          
assign (resid  15 and name  HG* )(resid  19 and name  HD*  ) 0.0 0.0 7.2 ! wl                                           
assign (resid  16 and name  HB* )(resid  19 and name  HD*  ) 0.0 0.0 7.2 ! wl                                           
assign (resid  15 and name  HB* )(resid  19 and name  HD*  ) 0.0 0.0 7.2 ! wl                                           
assign (resid  11 and name  HG* )(resid  10 and name  HD*  ) 0.0 0.0 7.2 ! wl                                           
assign (resid  11 and name  HB* )(resid  10 and name  HD*  ) 0.0 0.0 8.0 ! vwl                                          
assign (resid   5 and name  HG* )(resid   4 and name  HD*  ) 0.0 0.0 7.2 ! wl                                           
assign (resid  21 and name  HB* )(resid  20 and name  HD*  ) 0.0 0.0 6.4 ! ml    mma                                    
assign (resid   2 and name  HB* )(resid   4 and name  HD*  ) 0.0 0.0 6.4 ! ml                                           
assign (resid  12 and name  HG2* )(resid  14 and name  HD2  ) 0.0 0.0 5.7 ! wm    stronger of pair                       
assign (resid  12 and name  HG1* )(resid  14 and name  HD2  ) 0.0 0.0 4.2 ! w                                            
assign (resid  12 and name  HG2* )(resid  13 and name  HD2  ) 0.0 0.0 5.7 ! wm                                           
assign (resid  12 and name  HG1* )(resid  13 and name  HD2  ) 0.0 0.0 5.7 ! wm    stronger of pair                       
assign (resid  17 and name  HD* )(resid  20 and name  HD*  ) 0.0 0.0 7.2 ! wl                                           
assign (resid  18 and name  HG2* )(resid  19 and name  HD*  ) 0.0 0.0 7.2 ! wl                                           
assign (resid  18 and name  HG1* )(resid  19 and name  HD*  ) 0.0 0.0 6.4 ! ml                                           
assign (resid  12 and name  HG2* )(resid  10 and name  HD*  ) 0.0 0.0 6.4 ! ml                                           
assign (resid  12 and name  HG1* )(resid  10 and name  HD*  ) 0.0 0.0 7.2 ! wl                                           
assign (resid  12 and name  HG2* )(resid  10 and name  HE*  ) 0.0 0.0 6.4 ! ml                                           
assign (resid  12 and name  HG1* )(resid  10 and name  HE*  ) 0.0 0.0 7.2 ! wl                                           
assign (resid  12 and name  HG2* )(resid  15 and name  HE2* ) 0.0 0.0 6.7 ! wm                                           
assign (resid  12 and name  HG1* )(resid  15 and name  HE2* ) 0.0 0.0 6.7 ! wm                                           
assign (resid  12 and name  HG2* )(resid  15 and name  HE2* ) 0.0 0.0 5.9 ! mm                                           
assign (resid  12 and name  HG1* )(resid  15 and name  HE2* ) 0.0 0.0 5.9 ! mm    stronger of pair                       




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