*HEADER    MEMBRANE PROTEIN                        04-NOV-08   2KAD              
*TITLE     MAGIC-ANGLE-SPINNING SOLID-STATE NMR STRUCTURE OF INFLUENZA           
*TITLE    2 A M2 TRANSMEMBRANE DOMAIN                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TRANSMEMBRANE PEPTIDE OF MATRIX PROTEIN 2;                 
*COMPND   3 CHAIN: A, B, C, D;                                                   
*COMPND   4 FRAGMENT: TRANSMEMBRANE PEPTIDE OF INFLUENZA A M2 PROTEIN:           
*COMPND   5 UNP RESIDUES 22-46;                                                  
*COMPND   6 SYNONYM: PROTON CHANNEL PROTEIN M2;                                  
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SOLID PHASE PEPTIDE SYNTHESIS                         
*KEYWDS    TRANSMEMBRANE HELIX, PROTON CHANNEL, LIPID BILAYERS,                  
*KEYWDS   2 INFLUENZA A, SOLID-STATE NMR, ALTERNATIVE SPLICING,                  
*KEYWDS   3 HYDROGEN ION TRANSPORT, ION TRANSPORT, IONIC CHANNEL,                
*KEYWDS   4 LIPOPROTEIN, PALMITATE, PHOSPHOPROTEIN, SIGNAL-ANCHOR,               
*KEYWDS   5 TRANSPORT, VIRION, MEMBRANE PROTEIN                                  
*EXPDTA    NMR                                                                   
*AUTHOR    M.HONG, S.D.CADY, T.V.MISHANINA                                       
*REVDAT   2   02-DEC-08 2KAD    1    CORRECTED FORMAT OF DATA FILE               
*REVDAT   1   18-NOV-08 2KAD    0                                                

set echo=false end
set wrnlev=0 end
! CaH(i)-NH(j) long range
assign (segid A and resid    30 and  name HZ   ) (segid B and resid   30 and  name HZ   ) 8.8 0.9 0.9
assign (segid A and resid    41 and  name HZ3  ) (segid B and resid   41 and  name HZ3  ) 11.8 1.0 1.0

set echo=true end
set wrnlev=5 end

!!
!!phi restraints
  !!26 
 assign (resid   25 and name c )   (resid   26 and name n ) 
        (resid   26 and name ca)   (resid   26 and name c )  1.0 -64.8 13.5 2
  !!27 
 assign (resid   26 and name c )   (resid   27 and name n ) 
        (resid   27 and name ca)   (resid   27 and name c )  1.0 -64.9 10.1 2
  !!28
 assign (resid   27 and name c )   (resid   28 and name n ) 
        (resid   28 and name ca)   (resid   28 and name c )   1.0 -65.3 6.5 2
  !!29
 assign (resid   28 and name c )   (resid   29 and name n ) 
        (resid   29 and name ca)   (resid   29 and name c )   1.0 -60.7 6.5 2
  !!30
 assign (resid   29 and name c )   (resid   30 and name n ) 
        (resid   30 and name ca)   (resid   30 and name c )   1.0 -68.8 9.4 2
  !!31
 assign (resid   30 and name c )   (resid   31 and name n ) 
        (resid   31 and name ca)   (resid   31 and name c )   1.0 -65.5 6.6 2
  !!32 
 assign (resid   31 and name c )   (resid   32 and name n ) 
        (resid   32 and name ca)   (resid   32 and name c )   1.0 -61.3 8.0 2
  !!33
 assign (resid   32 and name c )   (resid   33 and name n ) 
        (resid   33 and name ca)   (resid   33 and name c )   1.0 -62.3 6.0 2
  !!34 
 assign (resid   33 and name c )   (resid   34 and name n ) 
        (resid   34 and name ca)   (resid   34 and name c )   1.0 -59.3 7.0 2
  !!35
 assign (resid   34 and name c )   (resid   35 and name n ) 
        (resid   35 and name ca)   (resid   35 and name c )   1.0 -67.3 9.5 2
  !!36
 assign (resid   35 and name c )   (resid   36 and name n ) 
        (resid   36 and name ca)   (resid   36 and name c )   1.0 -63.1 4.3 2
  !!37
 assign (resid   36 and name c )   (resid   37 and name n ) 
        (resid   37 and name ca)   (resid   37 and name c )   1.0 -62.4 5.6 2
  !!38
 assign (resid   37 and name c )   (resid   38 and name n ) 
        (resid   38 and name ca)   (resid   38 and name c )   1.0 -67.1 11.5 2
  

!!psi restraints
!!26
assign  (resid 26 and name n)   (resid 26 and name ca)
        (resid 26 and name c)   (resid 27 and name n)    1.0 -39.3 13.5 2
!!27
assign  (resid 27 and name n)   (resid 27 and name ca)
        (resid 27 and name c)   (resid 28 and name n)    1.0 -39.1 10.1 2
!!28
assign  (resid 28 and name n)   (resid 28 and name ca)
        (resid 28 and name c)   (resid 29 and name n)    1.0 -42.8 6.5 2
!!29
assign  (resid 29 and name n)   (resid 29 and name ca)
        (resid 29 and name c)   (resid 30 and name n)    1.0 -38.3 6.5 2
!!30
assign  (resid 30 and name n)   (resid 30 and name ca)
        (resid 30 and name c)   (resid 31 and name n)    1.0 -36.0 9.4 2
!!31
assign  (resid 31 and name n)   (resid 31 and name ca)
        (resid 31 and name c)   (resid 32 and name n)    1.0 -40.3 6.6 2
!!32
assign  (resid 32 and name n)   (resid 32 and name ca)
        (resid 32 and name c)   (resid 33 and name n)    1.0 -42.4 8.0 2
!!33
assign  (resid 33 and name n)   (resid 33 and name ca)
        (resid 33 and name c)   (resid 34 and name n)    1.0 -45.3 6.0 2
!!34
assign  (resid 34 and name n)   (resid 34 and name ca)
        (resid 34 and name c)   (resid 35 and name n)    1.0 -40.1 7.0 2
!!35
assign  (resid 35 and name n)   (resid 35 and name ca)
        (resid 35 and name c)   (resid 36 and name n)    1.0 -43.5 9.5 2
!!36
assign  (resid 36 and name n)   (resid 36 and name ca)
        (resid 36 and name c)   (resid 37 and name n)    1.0 -40.2 4.3 2
!!37
assign  (resid 37 and name n)   (resid 37 and name ca)
        (resid 37 and name c)   (resid 38 and name n)    1.0 -40.4 5.6 2
!!38
assign  (resid 38 and name n)   (resid 38 and name ca)
        (resid 38 and name c)   (resid 39 and name n)    1.0 -36.5 11.5 2



!!chi 1
  !!27
assign (resid 27 and name n)    (resid 27 and name ca)
       (resid 27 and name cb)   (resid 27 and name cg1) 1.0 -160.0 5.0 2
  !!28
assign (resid 28 and name n)    (resid 28 and name ca)
       (resid 28 and name cb)   (resid 28 and name cg1) 1.0 -167.0 5.0 2