*HEADER   PLANT PROTEIN                           13-JAN-95   1KAL    
*COMPND   KALATA B1 (303 K) (NMR, 10 STRUCTURES)                      
*SOURCE   AFRICAN PLANT (OLDENLANDIA AFFINIS DC)                      
*AUTHOR   D.J.CRAIK,D.G.NORMAN                                        
*REVDAT  1   31-MAR-95 1KAL    0                                      


!noe constraint list for kalata in xplor format
!FILENAME kalata.noe

!S1
assign (resid   1 and name  HN    )(resid   1 and name  HA    ) 0 0 3.5 
assign (resid   1 and name  HN    )(resid   1 and name  HB*   ) 0 0 3.5 
assign (resid   1 and name  HA    )(resid   1 and name  HB*   ) 0 0 3.5 
assign (resid   1 and name  HA    )(resid   2 and name  HN    ) 0 0 3.5   
assign (resid   1 and name  HB*   )(resid   2 and name  HN    ) 0 0 4.5  
assign (resid   1 and name  HN    )(resid   2 and name  HN    ) 0 0 5.0 
assign (resid   1 and name  HB*   )(resid   4 and name  HN    ) 0 0 5.0 
assign (resid   1 and name  HB*   )(resid   4 and name  HG2*    ) 0 0 5.0 
assign (resid   1 and name  HB*   )(resid  6 and name  HA    ) 0 0 6.0 
assign (resid   5 and name  HA    )(resid  1 and name  HN    ) 0 0 3.5 
assign (resid   1 and name  HB*   )(resid  6 and name  HG2*    ) 0 0 5.0
assign (resid  1 and name  HN    )(resid   6  and name  HG2*   ) 0 0 5.5        
assign (resid   1 and name  HN    )(resid   6 and name  HN    ) 0 0 5.0 
assign (resid   1 and name  HA    )(resid  29 and name  HA    ) 0 0 5.0  
assign (resid   1 and name  HB*   )(resid  29 and name  HA    ) 0 0 5.0 
assign (resid   1 and name  HN   )(resid  29 and name  HA    ) 0 0 2.7 
assign (resid   1 and name  HN    )(resid   29 and name  HB1    ) 0 0 5.0 
assign (resid   1 and name  HN    )(resid   29 and name  HB2   ) 0 0 5.0 

!W2
assign (resid   2 and name  HN    )(resid   2 and name  HD1   ) 0 0  5.0   
assign (resid   2 and name  HN    )(resid   2 and name  HE3   ) 0 0  5.0  
assign (resid   2 and name  HD1   )(resid   2 and name  HE1   ) 0 0 2.7 
assign (resid   2 and name  HD1   )(resid   2 and name  HZ2   ) 0 0 5.0 
assign (resid   2 and name  HE3   )(resid   2 and name  HZ3   ) 0 0 2.7 
assign (resid   2 and name  HE1   )(resid   2 and name  HZ2   ) 0 0 3.5   
assign (resid   2 and name  HE1   )(resid   2 and name  HH2   ) 0 0 5.0 
assign (resid   2 and name  HE3   )(resid   2 and name  HH2   ) 0 0 5.0 
assign (resid   2 and name  HZ3   )(resid   2 and name  HZ2   ) 0 0 5.0 
assign (resid   2 and name  HZ3   )(resid   2 and name  HH2   ) 0 0 2.7
assign (resid   2 and name  HZ2   )(resid   2 and name  HH2   ) 0 0 2.7 
assign (resid   2 and name  HN   )(resid   2 and name  HB*   ) 0 0 3.5 
assign (resid   2 and name  HN    )(resid   3 and name  HD1    ) 0 0 3.5 
assign (resid   2 and name  HD1   )(resid   2 and name  HB*   ) 0 0 5.0 
assign (resid   2 and name  HE1   )(resid   3 and name  HD1    ) 0 0 6.0    
assign (resid   2 and name  HE1   )(resid   3 and name  HA   ) 0 0 5.0   
assign (resid   2 and name  HE3   )(resid   3 and name  HD1    ) 0 0 5.0 
assign (resid   2 and name  HE3   )(resid   3 and name  HA   ) 0 0 6.0 
assign (resid   2 and name  HE3   )(resid   3 and name  HD2   ) 0 0 5.0 
assign (resid   2 and name  HE3   )(resid   2 and name  HB*   ) 0 0 3.5 
assign (resid   2 and name  HE3   )(resid   3 and name  HB2   ) 0 0 5.0 
assign (resid   2 and name  HE3   )(resid   3 and name  HG*   ) 0 0 6.0 
assign (resid   2 and name  HZ3   )(resid   3 and name  HD2   ) 0 0 5.0 
assign (resid   2 and name  HZ3   )(resid   3 and name  HB2   ) 0 0 5.0        
assign (resid   2 and name  HZ3   )(resid   3 and name  HG*   ) 0 0 6.0        
assign (resid   2 and name  HZ3   )(resid   3 and name  HB1   ) 0 0 6.0 
assign (resid   2 and name  HZ2   )(resid   3 and name  HD2   ) 0 0 6.0 
assign (resid   2 and name  HZ2   )(resid   3 and name  HB2   ) 0 0 5.0 
assign (resid   2 and name  HZ2   )(resid   3 and name  HG*   ) 0 0 6.0 
assign (resid   2 and name  HZ2   )(resid   3 and name  HB1   ) 0 0 5.0 
assign (resid   2 and name  HH2   )(resid   3 and name  HB2   ) 0 0 5.0 
assign (resid   2 and name  HH2   )(resid   3 and name  HG*   ) 0 0 6.0 
assign (resid   2 and name  HH2   )(resid   3 and name  HB1   ) 0 0 5.0 
assign (resid   2 and name  HE3   )(resid   4 and name  HG2*  ) 0 0 7.5 
assign (resid   2 and name  HZ3   )(resid   4 and name  HG2*  ) 0 0 7.5 
assign (resid   2 and name  HZ2   )(resid   4 and name  HG2*  ) 0 0 7.5 
assign (resid   2 and name  HZ3   )(resid   4 and name  HG2*  ) 0 0 7.5 
assign (resid   2 and name  HD1   )(resid   2 and name  HB*   ) 0 0 6.0 
assign (resid   2 and name  HE3   )(resid   2 and name  HB*   ) 0 0 4.5 
assign (resid   2 and name  HZ3   )(resid   2 and name  HB*   ) 0 0 6.0
assign (resid   2 and name  HD1   )(resid  17 and name  HB*   ) 0 0 7.0 
assign (resid   2 and name  HD1   )(resid  18 and name  HA    ) 0 0 3.5 
assign (resid   2 and name  HD1   )(resid  18 and name  HG1*  ) 0 0 7.5 
assign (resid   2 and name  HD1   )(resid  18 and name  HG2*  ) 0 0 7.5 
assign (resid   2 and name  HE1   )(resid  18 and name  HN    ) 0 0 5.0    
assign (resid   2 and name  HE1   )(resid  18 and name  HA    ) 0 0 2.7    
assign (resid   2 and name  HE1   )(resid  18 and name  HB    ) 0 0 5.0   
assign (resid   2 and name  HE1   )(resid  18 and name  HG1*  ) 0 0 6.5    
assign (resid   2 and name  HE1   )(resid  18 and name  HG2*  ) 0 0 6.5  
assign (resid   2 and name  HE3   )(resid  18 and name  HG1*  ) 0 0 7.5 
assign (resid   2 and name  HE3   )(resid  18 and name  HG2*  ) 0 0 7.5 
assign (resid   2 and name  HZ3   )(resid  18 and name  HG1*  ) 0 0 7.5 
assign (resid   2 and name  HZ3   )(resid  18 and name  HG2*  ) 0 0 7.5 
assign (resid   2 and name  HZ2   )(resid  18 and name  HA    ) 0 0 5.0 
assign (resid   2 and name  HZ2   )(resid  18 and name  HG1*  ) 0 0 4.8  
assign (resid   2 and name  HZ2   )(resid  18 and name  HG2*  ) 0 0 4.8
assign (resid   2 and name  HH2   )(resid  18 and name  HG1*  ) 0 0 6.5 
assign (resid   2 and name  HH2   )(resid  18 and name  HG2*  ) 0 0 6.5 
assign (resid   2 and name  HE1   )(resid  19 and name  HN    ) 0 0 5.0 
assign (resid   2 and name  HD1   )(resid  20 and name  HN    ) 0 0 4.3 
assign (resid   2 and name  HD1   )(resid  20 and name  HA1   ) 0 0 5.0
assign (resid   2 and name  HD1   )(resid  20 and name  HA2   ) 0 0 5.0  
assign (resid   2 and name  HE1   )(resid  20 and name  HN    ) 0 0 5.0 

!P3 
assign (resid   3 and name  HD1    )(resid   3 and name  HD2   ) 0 0 2.7 
assign (resid   3 and name  HD2    )(resid   3 and name  HB2   ) 0 0 5.0 
assign (resid   3 and name  HD2    )(resid   3 and name  HB1   ) 0 0 5.0 
assign (resid   3 and name  HB2   )(resid   3 and name  HA   ) 0 0 3.5 
assign (resid   3 and name  HA   )(resid   3 and name  HG*   ) 0 0 5.0 
assign (resid   3 and name  HB1   )(resid   3 and name  HA   ) 0 0 3.5 
assign (resid   3 and name  HD1   )(resid   3 and name  HB2   ) 0 0 5.0 
assign (resid   3 and name  HD1   )(resid   3 and name  HG*   ) 0 0 3.5
assign (resid   3 and name  HD1   )(resid   3 and name  HB1   ) 0 0 5.0 
assign (resid   3 and name  HD2   )(resid   3 and name  HG*  ) 0 0 3.5 
assign (resid   3 and name  HB1   )(resid   3 and name  HB2   ) 0 0 2.7 
assign (resid   3 and name  HB1   )(resid   3 and name  HG*   ) 0 0 4.3 
assign (resid   3 and name  HD1   )(resid   4 and name  HN    ) 0 0 3.5 
assign (resid   3 and name  HA  )(resid   4 and name  HN    ) 0 0 4.3 
assign (resid   3 and name  HD2   )(resid   4 and name  HN    ) 0 0 4.5 
assign (resid   3 and name  HD2   )(resid   4 and name  HG*   ) 0 0 6.0 
assign (resid   3 and name  HG1   )(resid   4 and name  HG2*    ) 0 0 6.5 
assign (resid   3 and name  HG2   )(resid   4 and name  HG1*   ) 0 0 6.5 
assign (resid   3 and name  HA   )(resid  17 and name  HN    ) 0 0 6.0 
assign (resid   3 and name  HB2   )(resid  17 and name  HN    ) 0 0 4.3 
assign (resid   3 and name  HA   )(resid  18 and name  HA    ) 0 0 5.0 
assign (resid   3 and name  HA   )(resid  18 and name  HG*   ) 0 0 7.5

!V4
assign (resid   4 and name  HN    )(resid   4 and name  HA    ) 0 0 3.5 
assign (resid   4 and name  HN    )(resid   4 and name  HB    ) 0 0 3.5 
assign (resid   4 and name  HN    )(resid   4 and name  HG1*  ) 0 0 6.5 
assign (resid   4 and name  HN    )(resid   4 and name  HG2*  ) 0 0 4.8 
assign (resid   4 and name  HA    )(resid   4 and name  HB    ) 0 0 3.5 
assign (resid   4 and name  HA    )(resid   4 and name  HG1*  ) 0 0 4.8 
assign (resid   4 and name  HA    )(resid   4 and name  HG2*  ) 0 0 4.8 
assign (resid   4 and name  HB    )(resid   4 and name  HG1*  ) 0 0 4.8 
assign (resid   4 and name  HB    )(resid   4 and name  HG2*  ) 0 0 4.8 
assign (resid   4 and name  HA    )(resid   5 and name  HN    ) 0 0 2.7 
assign (resid   4 and name  HB    )(resid   5 and name  HN    ) 0 0 5.0 
assign (resid   4 and name  HG1*  )(resid   5 and name  HN    ) 0 0 6.5 
assign (resid   4 and name  HG2*  )(resid   5 and name  HN    ) 0 0 6.5 
assign (resid   4 and name  HA    )(resid  16 and name  HN    ) 0 0 5.0 
assign (resid   4 and name  HG1*  )(resid  16 and name  HA    ) 0 0 6.5
assign (resid   4 and name  HG2*  )(resid  16 and name  HA    ) 0 0 6.5 
assign (resid   4 and name  HG1*  )(resid  16 and name  HG2*    ) 0 0 6.5 
assign (resid   4 and name  HG2*  )(resid  16 and name  HG2*    ) 0 0 6.5 
assign (resid   4 and name  HA  )(resid  16 and name  HA    ) 0 0 3.5 
!C5
assign (resid   5 and name  HN    )(resid   5 and name  HA    ) 0 0 3.5 
assign (resid   5 and name  HN    )(resid   5 and name  HB2   ) 0 0 3.5 
assign (resid   5 and name  HN    )(resid   5 and name  HB1   ) 0 0 3.5 
assign (resid   5 and name  HA    )(resid   5 and name  HB2   ) 0 0 5.0 
assign (resid   5 and name  HA    )(resid   5 and name  HB1   ) 0 0 5.0 
assign (resid   5 and name  HB2   )(resid   5 and name  HB1   ) 0 0 2.7 
assign (resid   5 and name  HN    )(resid   6 and name  HN    ) 0 0 5.0 
assign (resid   5 and name  HA    )(resid   6 and name  HN    ) 0 0 2.7 
assign (resid   5 and name  HB2   )(resid   6 and name  HN    ) 0 0 5.0 
assign (resid   5 and name  HB1   )(resid   6 and name  HN    ) 0 0 3.5 
assign (resid   5 and name  HA    )(resid  13 and name  HB*   ) 0 0 6.0 
assign (resid   5 and name  HB2   )(resid  13 and name  HB1   ) 0 0 5.3 
assign (resid   5 and name  HB1   )(resid  13 and name  HB1   ) 0 0 3.5 
assign (resid   5 and name  HN    )(resid  15 and name  HN    ) 0 0 5.0  
assign (resid   5 and name  HB2   )(resid  15 and name  HN    ) 0 0 5.0 
assign (resid   5 and name  HN    )(resid  16 and name  HA    ) 0 0 2.7 
assign (resid   5 and name  HN    )(resid  16 and name  HB    ) 0 0 5.0 
assign (resid   5 and name  HN    )(resid  16 and name  HG2*  ) 0 0 6.5  
assign (resid   5 and name  HN    )(resid  17 and name  HN    ) 0 0 5.0 
assign (resid   5 and name  HA    )(resid  27 and name  HA    ) 0 0 5.0 
assign (resid   5 and name  HA    )(resid  27 and name  HB*   ) 0 0 5.0 
assign (resid   5 and name  HB1   )(resid  27 and name  HB1   ) 0 0 3.5 
assign (resid   5 and name  HB1   )(resid  27 and name  HA    ) 0 0 5.0 
assign (resid   5 and name  HA    )(resid  28 and name  HN    ) 0 0 5.0 
assign (resid   5 and name  HB2   )(resid  28 and name  HN    ) 0 0 6.0 
assign (resid   5 and name  HB1   )(resid  28 and name  HN    ) 0 0 5.0 
assign (resid   5 and name  HA    )(resid  29 and name  HA    ) 0 0 2.7

!T6
assign (resid   6 and name  HN    )(resid   6 and name  HB    ) 0 0 5.0  
assign (resid   6 and name  HN    )(resid   6 and name  HG2*  ) 0 0 3.5   
assign (resid   6 and name  HN    )(resid   6 and name  HA    ) 0 0 3.5 
assign (resid   6 and name  HG2*  )(resid   7 and name  HN    ) 0 0 6.5 
assign (resid   6 and name  HN  )(resid   7 and name  HN    ) 0 0 5.0 
assign (resid   6 and name  HG2*  )(resid   9 and name  HN    ) 0 0 4.0 
assign (resid   6 and name  HB    )(resid  10 and name  HN    ) 0 0 3.5 
assign (resid   6 and name  HG2*  )(resid  10 and name  HN    ) 0 0 5.0 
assign (resid   6 and name  HN    )(resid  27 and name  HA    ) 0 0 5.0 
assign (resid   6 and name  HN    )(resid  28 and name  HN    ) 0 0 2.7
assign (resid   6 and name  HN    )(resid  28 and name  HA    ) 0 0 5.0 
assign (resid   6 and name  HN    )(resid  28 and name  HB    ) 0 0 5.0  
assign (resid   6 and name  HN    )(resid  28 and name  HG2*  ) 0 0 5.0  
assign (resid   6 and name  HN    )(resid  29 and name  HA    ) 0 0 3.5 


!R7
assign (resid   7 and name  HN    )(resid   7 and name  HA    ) 0 0 3.5 
assign (resid   7 and name  HN    )(resid   7 and name  HB*   ) 0 0 4.3 
assign (resid   7 and name  HA    )(resid   7 and name  HB*   ) 0 0 3.5 
assign (resid   7 and name  HA    )(resid   7 and name  HD*   ) 0 0 6.0 
assign (resid   7 and name  HA    )(resid   7 and name  HG*   ) 0 0 4.5 
assign (resid   7 and name  HB*   )(resid   7 and name  HG*   ) 0 0 3.5 
assign (resid   7 and name  HB1   )(resid   7 and name  HD*   ) 0 0 4.5 
assign (resid   7 and name  HB1   )(resid   7 and name  HE    ) 0 0 5.0   
assign (resid   7 and name  HB2   )(resid   7 and name  HE    ) 0 0 5.0 
assign (resid   7 and name  HD*   )(resid   7 and name  HG*   ) 0 0 4.5 
assign (resid   7 and name  HD1   )(resid   7 and name  HE    ) 0 0 4.5 
assign (resid   7 and name  HD2   )(resid   7 and name  HE    ) 0 0 4.5 
assign (resid   7 and name  HA    )(resid   8 and name  HN    ) 0 0 2.7
assign (resid   7 and name  HB*   )(resid   8 and name  HN    ) 0 0 4.5 
assign (resid   7 and name  HG*   )(resid   8 and name  HN    ) 0 0 5.0 
assign (resid   7 and name  HG*   )(resid   8 and name  HD2*  ) 0 0 7.0 
assign (resid   7 and name  HN    )(resid  10 and name  HN    ) 0 0 5.0  
assign (resid   7 and name  HN    )(resid  6 and name  HA    ) 0 0 2.7 
assign (resid   7 and name  HN    )(resid  12 and name  HN    ) 0 0 5.0 
assign (resid   7 and name  HB*   )(resid  27 and name  HA    ) 0 0 5.0

!N8
assign (resid   8 and name  HN    )(resid   8 and name  HA    ) 0 0 2.7 
assign (resid   8 and name  HN    )(resid   8 and name  HB1   ) 0 0 5.0 
assign (resid   8 and name  HN    )(resid   8 and name  HB2   ) 0 0 5.0 
assign (resid   8 and name  HA    )(resid   8 and name  HB1   ) 0 0 2.7 
assign (resid   8 and name  HA    )(resid   8 and name  HB2   ) 0 0 2.7 
assign (resid   8 and name  HB1   )(resid   8 and name  HB2   ) 0 0 2.7
assign (resid   8 and name  HD21    )(resid   8 and name  HB2   ) 0 0 6.0 
assign (resid   8 and name  HB1   )(resid   8 and name  HD2*  ) 0 0 6.0 
assign (resid   8 and name  HB2   )(resid   8 and name  HD2*  ) 0 0 4.3 
assign (resid   8 and name  HN    )(resid   9 and name  HN    ) 0 0 2.7 
assign (resid   8 and name  HA    )(resid   9 and name  HN    ) 0 0 2.7 

!G9
assign (resid   9 and name  HN    )(resid   9 and name  HA1   ) 0 0 2.7 
assign (resid   9 and name  HN    )(resid   9 and name  HA2   ) 0 0 2.7 
assign (resid   9 and name  HA1   )(resid   9 and name  HA2   ) 0 0 2.7 
assign (resid   9 and name  HN    )(resid  10 and name  HN    ) 0 0 3.5
assign (resid   9 and name  HA1   )(resid  10 and name  HN    ) 0 0 5.0 
assign (resid   9 and name  HA2   )(resid  10 and name  HN    ) 0 0 5.0 


!L10 
assign (resid  10 and name  HN    )(resid  10 and name  HA    ) 0 0 3.5  
assign (resid  10 and name  HN    )(resid  10 and name  HB1   ) 0 0 3.5 
assign (resid  10 and name  HN    )(resid  10 and name  HB2   ) 0 0 3.5 
assign (resid  10 and name  HN    )(resid  10 and name  HD1*  ) 0 0 6.5  
assign (resid  10 and name  HN    )(resid  10 and name  HD2*  ) 0 0 6.5   
assign (resid  10 and name  HN    )(resid  10 and name  HG    ) 0 0 3.5 
assign (resid  10 and name  HA    )(resid  10 and name  HB1   ) 0 0 3.5 
assign (resid  10 and name  HA    )(resid  10 and name  HB2   ) 0 0 3.5 
assign (resid  10 and name  HB1   )(resid  10 and name  HB2   ) 0 0 2.7 
assign (resid  10 and name  HB1   )(resid  10 and name  HD1*  ) 0 0 4.8
assign (resid  10 and name  HB1   )(resid  10 and name  HD2*  ) 0 0 4.8 
assign (resid  10 and name  HB1   )(resid  10 and name  HG    ) 0 0 3.5 
assign (resid  10 and name  HB2   )(resid  10 and name  HD1*  ) 0 0 4.8 
assign (resid  10 and name  HB2   )(resid  10 and name  HD2*  ) 0 0 4.8 
assign (resid  10 and name  HD1*  )(resid  10 and name  HG    ) 0 0 4.2 
assign (resid  10 and name  HD2*  )(resid  10 and name  HG    ) 0 0 4.2 
assign (resid  10 and name  HB*   )(resid  11 and name  HD1   ) 0 0 6.0 
assign (resid  10 and name  HB*   )(resid  11 and name  HD2   ) 0 0 6.0 
!assign (resid  10 and name  HA    )(resid  12 and name  HA    ) 0 0 5.0 

!P11
assign (resid  11 and name  HA    )(resid  11 and name  HB1   ) 0 0 2.7 
assign (resid  11 and name  HA    )(resid  11 and name  HB2   ) 0 0 2.7 
assign (resid  11 and name  HA    )(resid  11 and name  HG1   ) 0 0 5.0 
assign (resid  11 and name  HA    )(resid  11 and name  HG2   ) 0 0 5.0 
assign (resid  11 and name  HB1   )(resid  11 and name  HB2   ) 0 0 2.7 
assign (resid  11 and name  HB1   )(resid  11 and name  HG1   ) 0 0 5.0 
assign (resid  11 and name  HB1   )(resid  11 and name  HG2   ) 0 0 5.0 
assign (resid  11 and name  HB1   )(resid  11 and name  HD1   ) 0 0 5.0 
assign (resid  11 and name  HB1   )(resid  11 and name  HD2   ) 0 0 5.0 
assign (resid  11 and name  HB2   )(resid  11 and name  HD1   ) 0 0 5.0 
assign (resid  11 and name  HB2   )(resid  11 and name  HD2   ) 0 0 5.0
assign (resid  11 and name  HB2   )(resid  11 and name  HG1   ) 0 0 5.0 
assign (resid  11 and name  HB2   )(resid  11 and name  HG2   ) 0 0 5.0 
assign (resid  11 and name  HB2   )(resid  11 and name  HG2   ) 0 0 5.0 
assign (resid  11 and name  HD1   )(resid  11 and name  HG1   ) 0 0 5.0 
assign (resid  11 and name  HD1   )(resid  11 and name  HG2   ) 0 0 5.0 
assign (resid  11 and name  HD2   )(resid  11 and name  HG1   ) 0 0 3.5 
assign (resid  11 and name  HD2   )(resid  11 and name  HG2   ) 0 0 3.5
assign (resid  11 and name  HA    )(resid  12 and name  HN    ) 0 0 2.7 
assign (resid  11 and name  HA    )(resid  12 and name  HA    ) 0 0 5.0 
assign (resid  11 and name  HA    )(resid  13 and name  HN    ) 0 0 3.5 

!V12
assign (resid  12 and name  HN    )(resid  12 and name  HA    ) 0 0 4.3 
assign (resid  12 and name  HN    )(resid  12 and name  HB    ) 0 0 5.0 
assign (resid  12 and name  HN    )(resid  12 and name  HG1*  ) 0 0 4.8 
assign (resid  12 and name  HN    )(resid  12 and name  HG2*  ) 0 0 4.8 
assign (resid  12 and name  HA    )(resid  12 and name  HB    ) 0 0 3.5 
assign (resid  12 and name  HA    )(resid  12 and name  HG1*  ) 0 0 4.2 
assign (resid  12 and name  HA    )(resid  12 and name  HG2*  ) 0 0 4.2 
assign (resid  12 and name  HB    )(resid  12 and name  HG1*  ) 0 0 2.7 
assign (resid  12 and name  HB    )(resid  12 and name  HG2*  ) 0 0 2.7 
assign (resid  12 and name  HN    )(resid  13 and name  HN    ) 0 0 3.5 
assign (resid  12 and name  HA    )(resid  13 and name  HN    ) 0 0 3.5
assign (resid  12 and name  HB    )(resid  13 and name  HN    ) 0 0 5.0 
assign (resid  12 and name  HG1*  )(resid  13 and name  HN    ) 0 0 6.5 
assign (resid  12 and name  HG2*  )(resid  13 and name  HN    ) 0 0 6.5 
assign (resid  12 and name  HA    )(resid  14 and name  HN    ) 0 0 5.0 
assign (resid  13 and name  HN    )(resid  13 and name  HA    ) 0 0 3.5 

!C13
assign (resid  13 and name  HN    )(resid  13 and name  HB1   ) 0 0 3.5 
assign (resid  13 and name  HN    )(resid  13 and name  HB2   ) 0 0 3.5 
assign (resid  13 and name  HA    )(resid  13 and name  HB1   ) 0 0 2.7 
assign (resid  13 and name  HA    )(resid  13 and name  HB2   ) 0 0 2.7 
assign (resid  13 and name  HB1   )(resid  13 and name  HB2   ) 0 0 2.7 
assign (resid  13 and name  HN    )(resid  14 and name  HN    ) 0 0 2.7 
assign (resid  13 and name  HN    )(resid  14 and name  HA1   ) 0 0 5.0 
assign (resid  13 and name  HN    )(resid  14 and name  HA2   ) 0 0 5.0 
assign (resid  13 and name  HA    )(resid  14 and name   HN   ) 0 0 5.0 
assign (resid  13 and name  HB1   )(resid  14 and name  HN    ) 0 0 5.0 
assign (resid  13 and name  HB2   )(resid  14 and name  HN    ) 0 0 5.0 
assign (resid  13 and name  HN    )(resid  15 and name  HN    ) 0 0 5.0 
assign (resid  13 and name  HB1   )(resid  15 and name  HN    ) 0 0 3.5 
assign (resid  13 and name  HB2   )(resid  15 and name  HN    ) 0 0 3.5 
assign (resid  13 and name  HB2   )(resid  24 and name  HG2*  ) 0 0 6.5 
assign (resid  13 and name  HB*   )(resid  27 and name  HB*   ) 0 0 7.0 

!G14
assign (resid  14 and name  HN    )(resid  14 and name  HA1   ) 0 0 2.7 
assign (resid  14 and name  HN    )(resid  14 and name  HA2   ) 0 0 2.7 
assign (resid  14 and name  HA1   )(resid  14 and name  HA2   ) 0 0 2.7 
assign (resid  14 and name  HN    )(resid  15 and name  HN    ) 0 0 2.7 
assign (resid  14 and name  HA1   )(resid  15 and name  HN    ) 0 0 3.5 
assign (resid  14 and name  HA2   )(resid  15 and name  HN    ) 0 0 3.5

!E15
assign (resid  15 and name  HN    )(resid  15 and name  HA    ) 0 0 2.7 
assign (resid  15 and name  HN    )(resid  15 and name  HB1   ) 0 0 3.5 
assign (resid  15 and name  HN    )(resid  15 and name  HB2   ) 0 0 3.5 
assign (resid  15 and name  HN    )(resid  15 and name  HG1   ) 0 0 5.0 
assign (resid  15 and name  HN    )(resid  15 and name  HG2   ) 0 0 5.0 
assign (resid  15 and name  HA    )(resid  15 and name  HB1   ) 0 0 3.5 
assign (resid  15 and name  HA    )(resid  15 and name  HB2   ) 0 0 3.5 
assign (resid  15 and name  HA    )(resid  15 and name  HG1   ) 0 0 5.0 
assign (resid  15 and name  HA    )(resid  15 and name  HG2   ) 0 0 5.0 
assign (resid  15 and name  HB1   )(resid  15 and name  HG1   ) 0 0 3.5 
assign (resid  15 and name  HB1   )(resid  15 and name  HG2   ) 0 0 3.5 
assign (resid  15 and name  HB2   )(resid  15 and name  HG1   ) 0 0 3.5 
assign (resid  15 and name  HB2   )(resid  15 and name  HG2   ) 0 0 3.5 
assign (resid  15 and name  HN    )(resid  16 and name  HN    ) 0 0 5.0 
assign (resid  15 and name  HA    )(resid  16 and name  HN    ) 0 0 2.7 
assign (resid  15 and name  HB1   )(resid  16 and name  HN    ) 0 0 3.5 
assign (resid  15 and name  HB2   )(resid  16 and name  HN    ) 0 0 3.5 
assign (resid  15 and name  HG1   )(resid  16 and name  HN    ) 0 0 3.5
assign (resid  15 and name  HG2   )(resid  16 and name  HN    ) 0 0 3.5 

!T16
assign (resid  16 and name  HN    )(resid  16 and name  HA    ) 0 0 3.5 
assign (resid  16 and name  HN    )(resid  16 and name  HB    ) 0 0 5.0 
assign (resid  16 and name  HN    )(resid  16 and name  HG2*  ) 0 0 4.8 
assign (resid  16 and name  HA    )(resid  16 and name  HB    ) 0 0 3.5 
assign (resid  16 and name  HN    )(resid  17 and name  HN    ) 0 0 5.0 
assign (resid  16 and name  HA    )(resid  17 and name  HN    ) 0 0 3.5 
assign (resid  16 and name  HB    )(resid  17 and name  HN    ) 0 0 2.7 
assign (resid  16 and name  HA    )(resid  17 and name  HA    ) 0 0 5.0
assign (resid  16 and name  HB    )(resid  17 and name  HA    ) 0 0 5.0 
assign (resid  16 and name  HG2*  )(resid  17 and name  HN    ) 0 0 5.0 
assign (resid  16 and name  HA    )(resid  18 and name  HN    ) 0 0 5.0 
assign (resid  16 and name  HB    )(resid  18 and name  HG1*  ) 0 0 6.5 
assign (resid  16 and name  HB    )(resid  18 and name  HG2*  ) 0 0 6.5 
assign (resid  16 and name  HB    )(resid  18 and name  HN    ) 0 0 3.5
!C17
assign (resid  17 and name  HN    )(resid  17 and name  HA    ) 0 0 3.5 
assign (resid  17 and name  HN    )(resid  17 and name  HB1   ) 0 0 5.0 
assign (resid  17 and name  HN    )(resid  17 and name  HB2   ) 0 0 5.0 
assign (resid  17 and name  HA    )(resid  17 and name  HB1   ) 0 0 3.5 
assign (resid  17 and name  HA    )(resid  17 and name  HB2   ) 0 0 3.5 
assign (resid  17 and name  HB1   )(resid  17 and name  HB2   ) 0 0 2.7
assign (resid  17 and name  HN    )(resid  18 and name  HN    ) 0 0 3.5 
assign (resid  17 and name  HN    )(resid  18 and name  HA    ) 0 0 5.0 
assign (resid  17 and name  HN    )(resid  18 and name  HG1*  ) 0 0 6.5 
assign (resid  17 and name  HN    )(resid  18 and name  HG2*  ) 0 0 6.5
assign (resid  17 and name  HA    )(resid  18 and name  HN    ) 0 0 2.7  
assign (resid  17 and name  HB1   )(resid  18 and name  HN    ) 0 0 5.0 
assign (resid  17 and name  HB2   )(resid  18 and name  HN    ) 0 0 5.0 
assign (resid  17 and name  HA    )(resid  19 and name  HN    ) 0 0 3.5 
assign (resid  17 and name  HA    )(resid  20 and name  HN    ) 0 0 5.0
assign (resid  17 and name  HB1   )(resid  20 and name  HN    ) 0 0 5.0 
assign (resid  17 and name  HB2   )(resid  20 and name  HN    ) 0 0 5.0 
assign (resid  17 and name  HA    )(resid  21 and name  HN    ) 0 0 5.0 
assign (resid  17 and name  HB1   )(resid  21 and name  HN    ) 0 0 3.5 
assign (resid  17 and name  HB2   )(resid  21 and name  HN    ) 0 0 3.5 
assign (resid  17 and name  HB*   )(resid  22 and name  HN    ) 0 0 5.0 

!V18
assign (resid  18 and name  HN    )(resid  18 and name  HB    ) 0 0 2.7 
assign (resid  18 and name  HN    )(resid  18 and name  HG1*  ) 0 0 4.2 
assign (resid  18 and name  HN    )(resid  18 and name  HG2*  ) 0 0 3.3 
assign (resid  18 and name  HA    )(resid  18 and name  HB    ) 0 0 3.5 
assign (resid  18 and name  HA    )(resid  18 and name  HG1*  ) 0 0 4.0
assign (resid  18 and name  HA    )(resid  18 and name  HG2*  ) 0 0 4.0 
assign (resid  18 and name  HB    )(resid  18 and name  HG1*  ) 0 0 4.2 
assign (resid  18 and name  HB    )(resid  18 and name  HG2*  ) 0 0 4.2 
assign (resid  18 and name  HG1*    )(resid  18 and name  HG2*  ) 0 0 6.5 
assign (resid  18 and name  HN    )(resid  19 and name  HN    ) 0 0 2.7        
assign (resid  18 and name  HA    )(resid  19 and name  HN    ) 0 0 3.5 
assign (resid  18 and name  HB    )(resid  19 and name  HN    ) 0 0 3.5 
assign (resid  18 and name  HG1*  )(resid  19 and name  HN    ) 0 0 4.8 
assign (resid  18 and name  HG2*  )(resid  19 and name  HN    ) 0 0 4.8 
assign (resid  18 and name  HN    )(resid  20 and name  HN    ) 0 0 5.0 
assign (resid  18 and name  HG1*  )(resid  20 and name  HN    ) 0 0 6.5 
assign (resid  18 and name  HG2*  )(resid  20 and name  HN    ) 0 0 6.5 
assign (resid  18 and name  HN    )(resid  21 and name  HN    ) 0 0 5.0

!G19
assign (resid  19 and name  HN    )(resid  19 and name  HA1   ) 0 0 2.7 
assign (resid  19 and name  HN    )(resid  19 and name  HA2   ) 0 0 2.7
assign (resid  19 and name  HA1   )(resid  19 and name  HA2   ) 0 0 2.7 
assign (resid  19 and name  HN    )(resid  20 and name  HN    ) 0 0 2.7 
assign (resid  19 and name  HA1   )(resid  20 and name  HN    ) 0 0 3.5 
assign (resid  19 and name  HA2   )(resid  20 and name  HN    ) 0 0 3.5 
assign (resid  19 and name  HN    )(resid  21 and name  HN    ) 0 0 5.0 

!G20
assign (resid  20 and name  HN    )(resid  20 and name  HA1   ) 0 0 2.7 
assign (resid  20 and name  HN    )(resid  20 and name  HA2   ) 0 0 2.7 
assign (resid  20 and name  HA1   )(resid  20 and name  HA2   ) 0 0 2.7 
assign (resid  20 and name  HN    )(resid  21 and name  HN    ) 0 0 2.7 
assign (resid  20 and name  HA1   )(resid  21 and name  HN    ) 0 0 3.5 
assign (resid  20 and name  HA2   )(resid  21 and name  HN    ) 0 0 3.5 
!T21
assign (resid  21 and name  HN    )(resid  21 and name  HA    ) 0 0 3.5 
assign (resid  21 and name  HN    )(resid  21 and name  HB    ) 0 0 3.5 
assign (resid  21 and name  HN    )(resid  21 and name  HG2*  ) 0 0 4.8 
assign (resid  21 and name  HN    )(resid  22 and name  HN    ) 0 0 5.0 
assign (resid  21 and name  HA    )(resid  22 and name  HN    ) 0 0 3.5 
assign (resid  21 and name  HB    )(resid  22 and name  HN    ) 0 0 2.7      
assign (resid  21 and name  HG2*  )(resid  22 and name  HN    ) 0 0 4.8 

!C22
assign (resid  22 and name  HN    )(resid  22 and name  HA    ) 0 0 2.7 
assign (resid  22 and name  HN    )(resid  22 and name  HB1   ) 0 0 3.5 
assign (resid  22 and name  HN    )(resid  22 and name  HB2   ) 0 0 3.5 
assign (resid  22 and name  HB*   )(resid  23 and name  HN    ) 0 0 4.3  
assign (resid  22 and name  HB*   )(resid  23 and name  HN    ) 0 0 5.0
assign (resid  22 and name  HB1   )(resid  24 and name  HN    ) 0 0 3.5 
assign (resid  22 and name  HB1   )(resid  28 and name  HA    ) 0 0 5.0 
assign (resid  22 and name  HB2   )(resid  28 and name  HA    ) 0 0 5.0 

!N23
assign (resid  23 and name  HA    )(resid  23 and name  HB*   ) 0 0 4.5 
assign (resid  23 and name  HB1   )(resid  23 and name  HB2   ) 0 0 2.7 
assign (resid  23 and name  HD21  )(resid  23 and name  HD22  ) 0 0 2.7
assign (resid  23 and name  HN    )(resid  24 and name  HN    ) 0 0 2.7    
assign (resid  23 and name  HB*  )(resid  23 and name  HD21  ) 0 0 3.7 
assign (resid  23 and name  HB*  )(resid  23 and name  HD22  ) 0 0 4.5 

!T24
assign (resid  24 and name  HN    )(resid  24 and name  HA    ) 0 0 3.5 
assign (resid  24 and name  HN    )(resid  24 and name  HB    ) 0 0 3.5
assign (resid  24 and name  HN    )(resid  24 and name  HG2*  ) 0 0 5.0 
assign (resid  24 and name  HA    )(resid  24 and name  HG2*  ) 0 0 4.2
assign (resid  24 and name  HB    )(resid  24 and name  HG2*  ) 0 0 4.2

!                                    not corr
assign (resid  24 and name  HG2*  )(resid  27 and name  HN    ) 0 0 6.5 


!P25
assign (resid  25 and name  HA    )(resid  25 and name  HB1   ) 0 0 3.5 
assign (resid  25 and name  HA    )(resid  25 and name  HB2   ) 0 0 3.5 
assign (resid  25 and name  HA    )(resid  25 and name  HB1   ) 0 0 3.5 
assign (resid  25 and name  HA    )(resid  25 and name  HB2   ) 0 0 3.5 
assign (resid  25 and name  HB1   )(resid  25 and name  HG1   ) 0 0 2.7 
assign (resid  25 and name  HB1   )(resid  25 and name  HD2   ) 0 0 5.0 
assign (resid  25 and name  HB1   )(resid  25 and name  HD1   ) 0 0 5.0 
assign (resid  25 and name  HB1   )(resid  25 and name  HG2   ) 0 0 3.5 
assign (resid  25 and name  HB1   )(resid  25 and name  HB2   ) 0 0 2.7 
assign (resid  25 and name  HG2   )(resid  25 and name  HG1   ) 0 0 2.7 
assign (resid  25 and name  HG1   )(resid  25 and name  HG2   ) 0 0 2.7 
assign (resid  25 and name  HA    )(resid  26 and name  HN    ) 0 0 2.7 

!G26
assign (resid  26 and name  HN    )(resid  26 and name  HA1   ) 0 0 2.7 
assign (resid  26 and name  HN    )(resid  26 and name  HA2   ) 0 0 2.7 
assign (resid  26 and name  HA1   )(resid  26 and name  HA2   ) 0 0 2.7 
assign (resid  26 and name  HN    )(resid  27 and name  HN    ) 0 0 3.5 
assign (resid  26 and name  HA1   )(resid  27 and name  HN    ) 0 0 5.0 
assign (resid  26 and name  HA2   )(resid  27 and name  HN    ) 0 0 3.5 

!C27
assign (resid  27 and name  HN    )(resid  27 and name  HA    ) 0 0 3.5  
assign (resid  27 and name  HN    )(resid  27 and name  HB2   ) 0 0 2.7 
assign (resid  27 and name  HN    )(resid  27 and name  HB1   ) 0 0 3.5 
assign (resid  27 and name  HA    )(resid  27 and name  HB2   ) 0 0 3.5
assign (resid  27 and name  HA    )(resid  27 and name  HB1   ) 0 0 3.5 
assign (resid  27 and name  HB1   )(resid  27 and name  HB2   ) 0 0 2.7 
assign (resid  27 and name  HN    )(resid  28 and name  HN    ) 0 0 5.0 
assign (resid  27 and name  HA    )(resid  28 and name  HN    ) 0 0 2.7 
assign (resid  27 and name  HB1   )(resid  28 and name  HN    ) 0 0 3.5 
assign (resid  27 and name  HA    )(resid  28 and name  HA    ) 0 0 5.0 
assign (resid  27 and name  HA    )(resid  28 and name  HB    ) 0 0 5.0
assign (resid  27 and name  HB2   )(resid  28 and name  HN    ) 0 0 5.0 


!T28
assign (resid  28 and name  HN    )(resid  29 and name  HN    ) 0 0 5.0 
assign (resid  28 and name  HA    )(resid  29 and name  HN    ) 0 0 3.5 
assign (resid  28 and name  HB    )(resid  29 and name  HN   ) 0 0 3.5 
assign (resid  28 and name  HG2*  )(resid  29 and name  HN    ) 0 0 4.8 

assign (resid   28 and name  HA    )(resid  28 and name  HN    ) 0 0 3.5 
assign (resid   28 and name  HB    )(resid  28 and name  HN    ) 0 0 3.5 
assign (resid   28 and name  HG2*  )(resid  28 and name  HN    ) 0 0 4.8
assign (resid   28 and name  HB    )(resid  28 and name  HA    ) 0 0 2.7 
assign (resid   28 and name  HG2*  )(resid  28 and name  HA    ) 0 0 5.0 
assign (resid   28 and name  HG2*  )(resid  28 and name  HB    ) 0 0 5.0 

!C29
assign (resid  29 and name  HN    )(resid  29 and name  HA    ) 0 0 3.5 
assign (resid  29 and name  HN    )(resid  29 and name  HB1   ) 0 0 2.7
assign (resid  29 and name  HN    )(resid  29 and name  HB2   ) 0 0 2.7
assign (resid  29 and name  HA    )(resid  29 and name  HB2   ) 0 0 3.5
assign (resid  29 and name  HA    )(resid  29 and name  HB1   ) 0 0 3.5 
assign (resid  29 and name  HB1   )(resid  29 and name  HB2   ) 0 0 2.7 



  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  182 H/Q atoms
  Start of MODEL    1
    1    H    SER   1           H        SER   1   1.772   2.183   5.227
    2    HA   SER   1           HA       SER   1   3.273   3.027   7.705
    3   1HB   SER   1          2HB       SER   1   4.502   1.316   6.079
    4   2HB   SER   1          1HB       SER   1   4.318   2.519   4.793
    5    HG   SER   1           HG       SER   1   6.142   2.420   6.703
    6    CH2  TRP   2           CH2      TRP   2   5.466  10.690   2.889
    7    H    TRP   2           H        TRP   2   2.651   5.305   7.704
    8    HA   TRP   2           HA       TRP   2   0.988   6.805   6.614
    9   1HB   TRP   2          2HB       TRP   2   2.558   8.280   7.453
   10   2HB   TRP   2          1HB       TRP   2   3.926   7.544   6.640
   11    HD1  TRP   2           HD1      TRP   2   0.566   9.183   5.274
   12    HE1  TRP   2           HE1      TRP   2   1.263  10.655   3.418
   13    HE3  TRP   2           HE3      TRP   2   5.537   8.566   5.510
   14    HZ2  TRP   2           HZ2      TRP   2   3.680  11.492   2.055
   15    HZ3  TRP   2           HZ3      TRP   2   7.040   9.683   3.932
   16    HH2  TRP   2           HH2      TRP   2   6.119  11.187   2.188
   17    HA   PRO   3           HA       PRO   3   1.486   7.298   2.164
   18   1HB   PRO   3          2HB       PRO   3   3.726   7.477   0.775
   19   2HB   PRO   3          1HB       PRO   3   3.382   8.628   2.042
   20   1HG   PRO   3          2HG       PRO   3   5.201   6.204   2.033
   21   2HG   PRO   3          1HG       PRO   3   5.507   7.710   2.837
   22   1HD   PRO   3          2HD       PRO   3   4.360   5.336   3.904
   23   2HD   PRO   3          1HD       PRO   3   4.439   6.785   4.860
   24    H    VAL   4           H        VAL   4   2.726   4.293   2.973
   25    HA   VAL   4           HA       VAL   4   1.927   3.179   0.338
   26    HB   VAL   4           HB       VAL   4   4.234   1.870   1.706
   27   1HG1  VAL   4          3HG1      VAL   4   3.514   2.311  -1.210
   28   2HG1  VAL   4          2HG1      VAL   4   4.889   1.382  -0.635
   29   3HG1  VAL   4          1HG1      VAL   4   3.258   0.836  -0.291
   30   1HG2  VAL   4          2HG2      VAL   4   4.604   4.444   0.122
   31   2HG2  VAL   4          1HG2      VAL   4   4.976   4.175   1.813
   32   3HG2  VAL   4          3HG2      VAL   4   5.887   3.342   0.582
   33    H    CYS   5           H        CYS   5   1.413   0.979   0.252
   34    HA   CYS   5           HA       CYS   5   0.193  -0.163   2.733
   35   1HB   CYS   5          2HB       CYS   5  -0.008  -0.947  -0.196
   36   2HB   CYS   5          1HB       CYS   5  -0.949  -1.634   1.090
   37    H    THR   6           H        THR   6   1.387  -1.554   3.786
   38    HA   THR   6           HA       THR   6   3.431  -3.189   2.345
   39    HB   THR   6           HB       THR   6   5.043  -2.738   4.052
   40    HG1  THR   6           HG1      THR   6   2.839  -3.238   5.611
   41   1HG2  THR   6          2HG2      THR   6   4.130  -0.361   3.595
   42   2HG2  THR   6          1HG2      THR   6   3.052  -0.627   4.965
   43   3HG2  THR   6          3HG2      THR   6   4.792  -0.632   5.203
   44    NH1  ARG   7           NH2      ARG   7  -0.180 -10.741   3.854
   45    NH2  ARG   7           NH1      ARG   7   1.376 -11.786   5.153
   46    H    ARG   7           H        ARG   7   4.197  -4.958   3.738
   47    HA   ARG   7           HA       ARG   7   1.930  -6.491   4.918
   48   1HB   ARG   7          2HB       ARG   7   2.735  -7.208   2.518
   49   2HB   ARG   7          1HB       ARG   7   4.234  -7.715   3.280
   50   1HG   ARG   7          2HG       ARG   7   2.884  -9.200   4.827
   51   2HG   ARG   7          1HG       ARG   7   1.431  -8.688   3.993
   52   1HD   ARG   7          2HD       ARG   7   2.512  -9.582   1.813
   53   2HD   ARG   7          1HD       ARG   7   3.764 -10.270   2.827
   54    HE   ARG   7           HE       ARG   7   1.962 -11.944   2.435
   55   1HH1  ARG   7          1HH2      ARG   7  -0.431 -10.328   2.979
   56   2HH1  ARG   7          2HH2      ARG   7  -0.844 -10.775   4.601
   57   1HH2  ARG   7          2HH1      ARG   7   2.297 -12.163   5.258
   58   2HH2  ARG   7          1HH1      ARG   7   0.726 -11.829   5.912
   59    H    ASN   8           H        ASN   8   2.628  -5.631   6.817
   60    HA   ASN   8           HA       ASN   8   3.800  -5.430   8.801
   61   1HB   ASN   8          2HB       ASN   8   4.786  -8.104   7.833
   62   2HB   ASN   8          1HB       ASN   8   5.110  -7.511   9.448
   63   1HD2  ASN   8          2HD2      ASN   8   1.604  -9.285   8.756
   64   2HD2  ASN   8          1HD2      ASN   8   2.961  -9.430   7.744
   65    H    GLY   9           H        GLY   9   4.829  -3.853   6.955
   66   1HA   GLY   9          2HA       GLY   9   6.800  -2.482   7.227
   67   2HA   GLY   9          1HA       GLY   9   7.717  -3.922   7.558
   68    H    LEU  10           H        LEU  10   6.173  -5.058   5.013
   69    HA   LEU  10           HA       LEU  10   8.173  -3.956   3.120
   70   1HB   LEU  10          2HB       LEU  10   6.815  -6.620   3.260
   71   2HB   LEU  10          1HB       LEU  10   7.867  -6.136   1.953
   72    HG   LEU  10           HG       LEU  10   8.726  -6.129   4.892
   73   1HD1  LEU  10          1HD1      LEU  10   8.242  -8.436   4.113
   74   2HD1  LEU  10          3HD1      LEU  10   9.295  -8.199   2.723
   75   3HD1  LEU  10          2HD1      LEU  10   9.967  -8.204   4.350
   76   1HD2  LEU  10          1HD2      LEU  10  10.362  -5.925   2.309
   77   2HD2  LEU  10          3HD2      LEU  10  10.064  -4.596   3.409
   78   3HD2  LEU  10          2HD2      LEU  10  11.024  -5.955   3.934
   79    HA   PRO  11           HA       PRO  11   4.550  -2.191   0.851
   80   1HB   PRO  11          2HB       PRO  11   6.203  -1.164  -1.125
   81   2HB   PRO  11          1HB       PRO  11   5.729  -0.316   0.344
   82   1HG   PRO  11          2HG       PRO  11   8.284  -1.940  -0.109
   83   2HG   PRO  11          1HG       PRO  11   8.121  -0.315   0.565
   84   1HD   PRO  11          2HD       PRO  11   8.378  -2.333   2.219
   85   2HD   PRO  11          1HD       PRO  11   7.107  -1.156   2.609
   86    H    VAL  12           H        VAL  12   3.597  -3.997   0.187
   87    HA   VAL  12           HA       VAL  12   4.755  -5.372  -2.217
   88    HB   VAL  12           HB       VAL  12   3.779  -6.697   0.377
   89   1HG1  VAL  12          2HG1      VAL  12   4.545  -8.096  -2.236
   90   2HG1  VAL  12          1HG1      VAL  12   4.225  -8.897  -0.704
   91   3HG1  VAL  12          3HG1      VAL  12   2.922  -8.102  -1.552
   92   1HG2  VAL  12          2HG2      VAL  12   6.205  -5.943   0.253
   93   2HG2  VAL  12          1HG2      VAL  12   6.072  -7.677   0.361
   94   3HG2  VAL  12          3HG2      VAL  12   6.411  -6.913  -1.176
   95    H    CYS  13           H        CYS  13   2.205  -3.653  -1.156
   96    HA   CYS  13           HA       CYS  13   0.097  -5.245  -2.476
   97   1HB   CYS  13          2HB       CYS  13   0.198  -3.162  -0.555
   98   2HB   CYS  13          1HB       CYS  13  -0.764  -2.601  -1.895
   99    H    GLY  14           H        GLY  14   1.780  -2.164  -2.889
  100   1HA   GLY  14          2HA       GLY  14   2.592  -1.467  -5.075
  101   2HA   GLY  14          1HA       GLY  14   1.186  -2.245  -5.794
  102    H    GLU  15           H        GLU  15  -0.289  -1.068  -3.355
  103    HA   GLU  15           HA       GLU  15  -0.958   1.505  -4.610
  104   1HB   GLU  15          2HB       GLU  15  -2.805  -0.013  -4.200
  105   2HB   GLU  15          1HB       GLU  15  -2.375  -0.200  -2.511
  106   1HG   GLU  15          2HG       GLU  15  -2.954   2.173  -2.103
  107   2HG   GLU  15          1HG       GLU  15  -3.299   2.417  -3.802
  108    H    THR  16           H        THR  16  -1.508   3.231  -3.104
  109    HA   THR  16           HA       THR  16   0.427   3.393  -0.836
  110    HB   THR  16           HB       THR  16   0.592   5.871  -1.420
  111    HG1  THR  16           HG1      THR  16  -0.252   5.769  -3.882
  112   1HG2  THR  16          1HG2      THR  16   1.189   3.993  -3.770
  113   2HG2  THR  16          3HG2      THR  16   1.951   5.551  -3.484
  114   3HG2  THR  16          2HG2      THR  16   2.267   4.207  -2.400
  115    H    CYS  17           H        CYS  17  -0.032   5.091   0.745
  116    HA   CYS  17           HA       CYS  17  -2.924   5.645   1.119
  117   1HB   CYS  17          2HB       CYS  17  -2.684   4.791   3.515
  118   2HB   CYS  17          1HB       CYS  17  -2.657   3.563   2.298
  119    H    VAL  18           H        VAL  18  -0.995   7.485   0.383
  120    HA   VAL  18           HA       VAL  18   0.336   8.935   2.332
  121    HB   VAL  18           HB       VAL  18  -1.230  10.002  -0.072
  122   1HG1  VAL  18          3HG1      VAL  18   1.110  11.182   1.489
  123   2HG1  VAL  18          2HG1      VAL  18   0.389  11.873   0.044
  124   3HG1  VAL  18          1HG1      VAL  18  -0.537  11.794   1.536
  125   1HG2  VAL  18          2HG2      VAL  18   0.485   8.221  -0.628
  126   2HG2  VAL  18          1HG2      VAL  18   0.968   9.791  -1.235
  127   3HG2  VAL  18          3HG2      VAL  18   1.701   9.154   0.226
  128    H    GLY  19           H        GLY  19  -3.040   9.170   1.441
  129   1HA   GLY  19          2HA       GLY  19  -3.906  11.261   3.103
  130   2HA   GLY  19          1HA       GLY  19  -4.931   9.890   2.642
  131    H    GLY  20           H        GLY  20  -3.248   8.003   3.710
  132   1HA   GLY  20          2HA       GLY  20  -2.241   7.380   5.913
  133   2HA   GLY  20          1HA       GLY  20  -3.618   8.187   6.636
  134    H    THR  21           H        THR  21  -4.504   6.395   3.813
  135    HA   THR  21           HA       THR  21  -5.074   3.972   5.370
  136    HB   THR  21           HB       THR  21  -7.437   4.026   4.521
  137    HG1  THR  21           HG1      THR  21  -6.385   6.017   3.136
  138   1HG2  THR  21          3HG2      THR  21  -6.706   6.566   6.104
  139   2HG2  THR  21          2HG2      THR  21  -8.296   5.828   6.030
  140   3HG2  THR  21          1HG2      THR  21  -6.978   4.994   6.840
  141    H    CYS  22           H        CYS  22  -5.498   2.144   4.166
  142    HA   CYS  22           HA       CYS  22  -4.808   2.295   1.278
  143   1HB   CYS  22          2HB       CYS  22  -3.147   1.061   2.824
  144   2HB   CYS  22          1HB       CYS  22  -4.430  -0.068   3.165
  145    H    ASN  23           H        ASN  23  -5.930   0.659  -0.027
  146    HA   ASN  23           HA       ASN  23  -8.623  -0.087   1.077
  147   1HB   ASN  23          2HB       ASN  23  -7.850   0.757  -1.746
  148   2HB   ASN  23          1HB       ASN  23  -9.456   0.235  -1.278
  149   1HD2  ASN  23          2HD2      ASN  23  -9.103   3.479   0.936
  150   2HD2  ASN  23          1HD2      ASN  23  -8.625   1.920   1.403
  151    H    THR  24           H        THR  24  -6.238  -1.659   1.201
  152    HA   THR  24           HA       THR  24  -7.108  -3.957  -0.511
  153    HB   THR  24           HB       THR  24  -4.128  -3.621   0.062
  154    HG1  THR  24           HG1      THR  24  -4.837  -2.538  -2.283
  155   1HG2  THR  24          3HG2      THR  24  -5.815  -4.429  -2.396
  156   2HG2  THR  24          2HG2      THR  24  -4.085  -4.665  -2.236
  157   3HG2  THR  24          1HG2      THR  24  -5.201  -5.614  -1.258
  158    HA   PRO  25           HA       PRO  25  -7.373  -5.327   3.961
  159   1HB   PRO  25          2HB       PRO  25  -8.918  -7.502   2.933
  160   2HB   PRO  25          1HB       PRO  25  -9.543  -6.064   3.732
  161   1HG   PRO  25          2HG       PRO  25  -9.154  -6.534   0.736
  162   2HG   PRO  25          1HG       PRO  25 -10.537  -5.811   1.558
  163   1HD   PRO  25          2HD       PRO  25  -8.809  -4.160   0.431
  164   2HD   PRO  25          1HD       PRO  25  -9.263  -3.788   2.105
  165    H    GLY  26           H        GLY  26  -5.475  -6.152   4.500
  166   1HA   GLY  26          2HA       GLY  26  -4.362  -8.472   4.581
  167   2HA   GLY  26          1HA       GLY  26  -4.196  -8.239   2.833
  168    H    CYS  27           H        CYS  27  -3.792  -5.383   3.027
  169    HA   CYS  27           HA       CYS  27  -0.948  -5.303   3.927
  170   1HB   CYS  27          2HB       CYS  27  -2.497  -3.572   2.003
  171   2HB   CYS  27          1HB       CYS  27  -0.809  -3.425   2.408
  172    H    THR  28           H        THR  28  -0.298  -3.585   5.009
  173    HA   THR  28           HA       THR  28  -2.286  -2.104   6.675
  174    HB   THR  28           HB       THR  28  -0.857  -3.714   7.963
  175    HG1  THR  28           HG1      THR  28   0.326  -1.409   8.741
  176   1HG2  THR  28          3HG2      THR  28   1.491  -1.980   6.990
  177   2HG2  THR  28          2HG2      THR  28   1.610  -3.301   8.137
  178   3HG2  THR  28          1HG2      THR  28   1.213  -3.628   6.466
  179    H    CYS  29           H        CYS  29  -1.166  -0.027   7.524
  180    HA   CYS  29           HA       CYS  29   0.183   1.174   5.144
  181   1HB   CYS  29          2HB       CYS  29  -2.070   1.933   5.506
  182   2HB   CYS  29          1HB       CYS  29  -1.655   2.501   7.098
   
  Start of MODEL           2
 Raw file had  182 H/Q atoms
  Start of MODEL    2
    1    H    SER   1           H        SER   1   1.614   2.329   5.100
    2    HA   SER   1           HA       SER   1   3.023   3.136   7.636
    3   1HB   SER   1          2HB       SER   1   4.251   1.336   5.997
    4   2HB   SER   1          1HB       SER   1   4.219   2.616   4.784
    5    HG   SER   1           HG       SER   1   5.887   2.319   6.812
    6    CH2  TRP   2           CH2      TRP   2   5.489  10.839   3.077
    7    H    TRP   2           H        TRP   2   2.296   5.352   7.573
    8    HA   TRP   2           HA       TRP   2   0.754   6.862   6.354
    9   1HB   TRP   2          2HB       TRP   2   2.269   8.312   7.349
   10   2HB   TRP   2          1HB       TRP   2   3.685   7.582   6.626
   11    HD1  TRP   2           HD1      TRP   2   0.437   9.235   5.039
   12    HE1  TRP   2           HE1      TRP   2   1.268  10.755   3.279
   13    HE3  TRP   2           HE3      TRP   2   5.396   8.654   5.651
   14    HZ2  TRP   2           HZ2      TRP   2   3.757  11.640   2.124
   15    HZ3  TRP   2           HZ3      TRP   2   6.997   9.827   4.212
   16    HH2  TRP   2           HH2      TRP   2   6.186  11.360   2.439
   17    HA   PRO   3           HA       PRO   3   1.610   7.435   1.977
   18   1HB   PRO   3          2HB       PRO   3   3.951   7.602   0.770
   19   2HB   PRO   3          1HB       PRO   3   3.518   8.762   2.000
   20   1HG   PRO   3          2HG       PRO   3   5.341   6.356   2.122
   21   2HG   PRO   3          1HG       PRO   3   5.549   7.860   2.964
   22   1HD   PRO   3          2HD       PRO   3   4.366   5.456   3.917
   23   2HD   PRO   3          1HD       PRO   3   4.338   6.901   4.883
   24    H    VAL   4           H        VAL   4   2.769   4.434   2.858
   25    HA   VAL   4           HA       VAL   4   2.165   3.322   0.172
   26    HB   VAL   4           HB       VAL   4   4.370   2.070   1.762
   27   1HG1  VAL   4          3HG1      VAL   4   3.863   2.362  -1.221
   28   2HG1  VAL   4          2HG1      VAL   4   5.194   1.470  -0.508
   29   3HG1  VAL   4          1HG1      VAL   4   3.545   0.923  -0.263
   30   1HG2  VAL   4          2HG2      VAL   4   4.803   4.548   0.055
   31   2HG2  VAL   4          1HG2      VAL   4   5.049   4.389   1.785
   32   3HG2  VAL   4          3HG2      VAL   4   6.080   3.511   0.685
   33    H    CYS   5           H        CYS   5   1.640   1.114   0.117
   34    HA   CYS   5           HA       CYS   5   0.254   0.112   2.568
   35   1HB   CYS   5          2HB       CYS   5   0.112  -0.561  -0.374
   36   2HB   CYS   5          1HB       CYS   5  -0.766  -1.452   0.831
   37    H    THR   6           H        THR   6   1.157  -1.491   3.625
   38    HA   THR   6           HA       THR   6   3.368  -3.050   2.380
   39    HB   THR   6           HB       THR   6   4.434  -1.740   4.080
   40    HG1  THR   6           HG1      THR   6   3.995  -3.580   5.924
   41   1HG2  THR   6          1HG2      THR   6   2.104  -2.473   5.948
   42   2HG2  THR   6          3HG2      THR   6   3.464  -1.446   6.367
   43   3HG2  THR   6          2HG2      THR   6   2.273  -0.884   5.214
   44    NH1  ARG   7           NH2      ARG   7  -0.011 -11.406   2.839
   45    NH2  ARG   7           NH1      ARG   7   2.106 -12.092   3.358
   46    H    ARG   7           H        ARG   7   3.704  -5.073   2.912
   47    HA   ARG   7           HA       ARG   7   1.382  -6.645   3.913
   48   1HB   ARG   7          2HB       ARG   7   1.979  -6.973   1.477
   49   2HB   ARG   7          1HB       ARG   7   3.597  -7.457   1.950
   50   1HG   ARG   7          2HG       ARG   7   2.626  -9.340   3.286
   51   2HG   ARG   7          1HG       ARG   7   1.015  -8.842   2.799
   52   1HD   ARG   7          2HD       ARG   7   1.625  -9.244   0.393
   53   2HD   ARG   7          1HD       ARG   7   3.225  -9.755   0.898
   54    HE   ARG   7           HE       ARG   7   1.671 -11.715   0.612
   55   1HH1  ARG   7          1HH2      ARG   7  -0.635 -10.976   2.186
   56   2HH1  ARG   7          2HH2      ARG   7  -0.352 -11.732   3.719
   57   1HH2  ARG   7          2HH1      ARG   7   3.067 -12.177   3.093
   58   2HH2  ARG   7          1HH1      ARG   7   1.801 -12.429   4.249
   59    H    ASN   8           H        ASN   8   1.849  -6.904   5.913
   60    HA   ASN   8           HA       ASN   8   2.851  -7.467   7.914
   61   1HB   ASN   8          2HB       ASN   8   4.359  -9.352   6.135
   62   2HB   ASN   8          1HB       ASN   8   4.122  -9.566   7.855
   63   1HD2  ASN   8          2HD2      ASN   8   0.400  -9.786   6.439
   64   2HD2  ASN   8          1HD2      ASN   8   1.194  -8.320   6.750
   65    H    GLY   9           H        GLY   9   4.002  -5.255   6.731
   66   1HA   GLY   9          2HA       GLY   9   5.721  -3.833   7.594
   67   2HA   GLY   9          1HA       GLY   9   6.650  -5.246   8.017
   68    H    LEU  10           H        LEU  10   5.406  -5.229   4.821
   69    HA   LEU  10           HA       LEU  10   7.985  -4.277   3.687
   70   1HB   LEU  10          2HB       LEU  10   6.291  -6.651   2.850
   71   2HB   LEU  10          1HB       LEU  10   7.715  -6.085   2.024
   72    HG   LEU  10           HG       LEU  10   7.683  -7.042   4.939
   73   1HD1  LEU  10          1HD1      LEU  10   8.666  -8.500   2.453
   74   2HD1  LEU  10          3HD1      LEU  10   8.823  -9.060   4.112
   75   3HD1  LEU  10          2HD1      LEU  10   7.233  -8.911   3.387
   76   1HD2  LEU  10          2HD2      LEU  10  10.024  -6.425   3.067
   77   2HD2  LEU  10          1HD2      LEU  10   9.556  -5.442   4.442
   78   3HD2  LEU  10          3HD2      LEU  10  10.172  -7.058   4.699
   79    HA   PRO  11           HA       PRO  11   4.629  -1.640   1.670
   80   1HB   PRO  11          2HB       PRO  11   6.513   0.123   0.670
   81   2HB   PRO  11          1HB       PRO  11   5.734   0.300   2.237
   82   1HG   PRO  11          2HG       PRO  11   8.433  -1.007   1.624
   83   2HG   PRO  11          1HG       PRO  11   8.054   0.203   2.857
   84   1HD   PRO  11          2HD       PRO  11   8.163  -2.340   3.612
   85   2HD   PRO  11          1HD       PRO  11   6.780  -1.389   4.191
   86    H    VAL  12           H        VAL  12   4.295  -3.520   0.473
   87    HA   VAL  12           HA       VAL  12   5.299  -3.359  -2.295
   88    HB   VAL  12           HB       VAL  12   5.490  -6.047  -0.809
   89   1HG1  VAL  12          1HG1      VAL  12   6.650  -5.129  -3.473
   90   2HG1  VAL  12          3HG1      VAL  12   6.896  -6.714  -2.754
   91   3HG1  VAL  12          2HG1      VAL  12   5.303  -6.232  -3.289
   92   1HG2  VAL  12          3HG2      VAL  12   7.830  -4.182  -1.384
   93   2HG2  VAL  12          2HG2      VAL  12   7.200  -4.568   0.208
   94   3HG2  VAL  12          1HG2      VAL  12   7.938  -5.822  -0.765
   95    H    CYS  13           H        CYS  13   2.746  -2.788  -1.242
   96    HA   CYS  13           HA       CYS  13   1.046  -5.138  -1.860
   97   1HB   CYS  13          2HB       CYS  13   0.629  -2.441  -0.788
   98   2HB   CYS  13          1HB       CYS  13  -0.764  -3.328  -1.351
   99    H    GLY  14           H        GLY  14   2.095  -2.123  -3.239
  100   1HA   GLY  14          2HA       GLY  14   2.163  -2.058  -5.727
  101   2HA   GLY  14          1HA       GLY  14   0.525  -2.681  -5.695
  102    H    GLU  15           H        GLU  15  -0.255  -1.031  -3.458
  103    HA   GLU  15           HA       GLU  15  -0.567   1.547  -4.867
  104   1HB   GLU  15          2HB       GLU  15  -2.553   0.007  -4.412
  105   2HB   GLU  15          1HB       GLU  15  -2.363   0.381  -2.716
  106   1HG   GLU  15          2HG       GLU  15  -2.834   2.798  -3.214
  107   2HG   GLU  15          1HG       GLU  15  -2.967   2.407  -4.922
  108    H    THR  16           H        THR  16  -1.176   3.293  -3.362
  109    HA   THR  16           HA       THR  16   0.669   3.402  -1.021
  110    HB   THR  16           HB       THR  16   0.911   5.902  -1.646
  111    HG1  THR  16           HG1      THR  16  -0.535   6.489  -3.010
  112   1HG2  THR  16          2HG2      THR  16   2.595   4.154  -2.567
  113   2HG2  THR  16          1HG2      THR  16   1.564   3.992  -3.975
  114   3HG2  THR  16          3HG2      THR  16   2.352   5.526  -3.639
  115    H    CYS  17           H        CYS  17   0.135   5.153   0.568
  116    HA   CYS  17           HA       CYS  17  -2.785   5.719   0.745
  117   1HB   CYS  17          2HB       CYS  17  -2.713   4.938   3.160
  118   2HB   CYS  17          1HB       CYS  17  -2.641   3.677   1.985
  119    H    VAL  18           H        VAL  18  -0.774   7.517   0.165
  120    HA   VAL  18           HA       VAL  18   0.387   9.015   2.186
  121    HB   VAL  18           HB       VAL  18  -0.976  10.049  -0.350
  122   1HG1  VAL  18          3HG1      VAL  18   1.282  11.193   1.342
  123   2HG1  VAL  18          2HG1      VAL  18   0.679  11.884  -0.158
  124   3HG1  VAL  18          1HG1      VAL  18  -0.347  11.851   1.270
  125   1HG2  VAL  18          2HG2      VAL  18   0.725   8.227  -0.776
  126   2HG2  VAL  18          1HG2      VAL  18   1.298   9.779  -1.350
  127   3HG2  VAL  18          3HG2      VAL  18   1.901   9.130   0.163
  128    H    GLY  19           H        GLY  19  -2.860   9.251   0.940
  129   1HA   GLY  19          2HA       GLY  19  -3.981  11.357   2.354
  130   2HA   GLY  19          1HA       GLY  19  -4.888   9.896   1.947
  131    H    GLY  20           H        GLY  20  -3.256   8.200   3.393
  132   1HA   GLY  20          2HA       GLY  20  -2.470   7.896   5.741
  133   2HA   GLY  20          1HA       GLY  20  -3.949   8.713   6.215
  134    H    THR  21           H        THR  21  -4.478   6.574   3.544
  135    HA   THR  21           HA       THR  21  -5.014   4.263   5.251
  136    HB   THR  21           HB       THR  21  -7.414   4.234   4.155
  137    HG1  THR  21           HG1      THR  21  -6.430   6.451   3.229
  138   1HG2  THR  21          1HG2      THR  21  -7.068   4.615   6.646
  139   2HG2  THR  21          3HG2      THR  21  -6.855   6.333   6.330
  140   3HG2  THR  21          2HG2      THR  21  -8.398   5.566   6.007
  141    H    CYS  22           H        CYS  22  -5.391   2.391   4.238
  142    HA   CYS  22           HA       CYS  22  -4.872   2.252   1.319
  143   1HB   CYS  22          2HB       CYS  22  -2.950   1.417   2.802
  144   2HB   CYS  22          1HB       CYS  22  -4.042   0.207   3.425
  145    H    ASN  23           H        ASN  23  -6.156   0.614   4.142
  146    HA   ASN  23           HA       ASN  23  -7.884  -0.884   4.497
  147   1HB   ASN  23          2HB       ASN  23  -8.994   1.385   4.170
  148   2HB   ASN  23          1HB       ASN  23  -9.277   0.975   2.487
  149   1HD2  ASN  23          2HD2      ASN  23 -11.932  -0.198   5.221
  150   2HD2  ASN  23          1HD2      ASN  23 -10.726   0.961   5.513
  151    H    THR  24           H        THR  24  -6.223  -2.060   3.054
  152    HA   THR  24           HA       THR  24  -7.747  -3.472   0.903
  153    HB   THR  24           HB       THR  24  -4.747  -2.767   0.927
  154    HG1  THR  24           HG1      THR  24  -6.992  -1.567   0.111
  155   1HG2  THR  24          3HG2      THR  24  -6.443  -4.153  -1.231
  156   2HG2  THR  24          2HG2      THR  24  -4.741  -3.744  -1.364
  157   3HG2  THR  24          1HG2      THR  24  -5.254  -5.007  -0.259
  158    HA   PRO  25           HA       PRO  25  -7.143  -7.079   3.455
  159   1HB   PRO  25          2HB       PRO  25  -6.757  -8.495   0.797
  160   2HB   PRO  25          1HB       PRO  25  -7.755  -8.964   2.181
  161   1HG   PRO  25          2HG       PRO  25  -9.000  -7.799   0.136
  162   2HG   PRO  25          1HG       PRO  25  -9.370  -7.192   1.754
  163   1HD   PRO  25          2HD       PRO  25  -7.390  -6.040  -0.274
  164   2HD   PRO  25          1HD       PRO  25  -8.677  -5.202   0.630
  165    H    GLY  26           H        GLY  26  -5.510  -8.198   4.347
  166   1HA   GLY  26          2HA       GLY  26  -3.334  -8.490   5.091
  167   2HA   GLY  26          1HA       GLY  26  -3.071  -9.062   3.453
  168    H    CYS  27           H        CYS  27  -3.938  -5.746   3.790
  169    HA   CYS  27           HA       CYS  27  -1.123  -4.829   3.516
  170   1HB   CYS  27          2HB       CYS  27  -3.579  -4.163   1.944
  171   2HB   CYS  27          1HB       CYS  27  -2.230  -3.061   2.010
  172    H    THR  28           H        THR  28  -0.591  -3.446   4.835
  173    HA   THR  28           HA       THR  28  -2.506  -1.921   6.543
  174    HB   THR  28           HB       THR  28   0.213  -3.079   7.022
  175    HG1  THR  28           HG1      THR  28  -0.942  -4.463   8.069
  176   1HG2  THR  28          2HG2      THR  28  -1.269  -1.181   8.876
  177   2HG2  THR  28          1HG2      THR  28   0.182  -2.095   9.299
  178   3HG2  THR  28          3HG2      THR  28   0.268  -0.845   8.080
  179    H    CYS  29           H        CYS  29  -1.485   0.188   7.260
  180    HA   CYS  29           HA       CYS  29  -0.031   1.357   4.937
  181   1HB   CYS  29          2HB       CYS  29  -2.305   2.136   5.242
  182   2HB   CYS  29          1HB       CYS  29  -1.926   2.692   6.847
   
  Start of MODEL           3
 Raw file had  182 H/Q atoms
  Start of MODEL    3
    1    H    SER   1           H        SER   1   1.604   2.165   5.153
    2    HA   SER   1           HA       SER   1   3.025   2.937   7.698
    3   1HB   SER   1          2HB       SER   1   4.202   1.147   6.031
    4   2HB   SER   1          1HB       SER   1   4.198   2.448   4.839
    5    HG   SER   1           HG       SER   1   5.862   2.063   6.855
    6    CH2  TRP   2           CH2      TRP   2   5.684  10.635   3.188
    7    H    TRP   2           H        TRP   2   2.371   5.195   7.671
    8    HA   TRP   2           HA       TRP   2   0.872   6.770   6.490
    9   1HB   TRP   2          2HB       TRP   2   2.455   8.141   7.467
   10   2HB   TRP   2          1HB       TRP   2   3.828   7.377   6.703
   11    HD1  TRP   2           HD1      TRP   2   0.606   9.159   5.192
   12    HE1  TRP   2           HE1      TRP   2   1.466  10.686   3.447
   13    HE3  TRP   2           HE3      TRP   2   5.549   8.399   5.720
   14    HZ2  TRP   2           HZ2      TRP   2   3.962  11.509   2.280
   15    HZ3  TRP   2           HZ3      TRP   2   7.170   9.546   4.283
   16    HH2  TRP   2           HH2      TRP   2   6.389  11.148   2.553
   17    HA   PRO   3           HA       PRO   3   1.627   7.329   2.088
   18   1HB   PRO   3          2HB       PRO   3   3.961   7.510   0.842
   19   2HB   PRO   3          1HB       PRO   3   3.556   8.640   2.111
   20   1HG   PRO   3          2HG       PRO   3   5.335   6.196   2.132
   21   2HG   PRO   3          1HG       PRO   3   5.606   7.669   3.006
   22   1HD   PRO   3          2HD       PRO   3   4.375   5.271   3.913
   23   2HD   PRO   3          1HD       PRO   3   4.416   6.667   4.938
   24    H    VAL   4           H        VAL   4   2.660   4.297   2.930
   25    HA   VAL   4           HA       VAL   4   2.026   3.240   0.239
   26    HB   VAL   4           HB       VAL   4   4.252   1.890   1.704
   27   1HG1  VAL   4          1HG1      VAL   4   3.685   2.368  -1.239
   28   2HG1  VAL   4          3HG1      VAL   4   5.027   1.425  -0.613
   29   3HG1  VAL   4          2HG1      VAL   4   3.382   0.876  -0.365
   30   1HG2  VAL   4          2HG2      VAL   4   4.704   4.457   0.149
   31   2HG2  VAL   4          1HG2      VAL   4   4.979   4.186   1.864
   32   3HG2  VAL   4          3HG2      VAL   4   5.972   3.361   0.685
   33    H    CYS   5           H        CYS   5   1.506   1.021   0.144
   34    HA   CYS   5           HA       CYS   5   0.170  -0.007   2.605
   35   1HB   CYS   5          2HB       CYS   5  -0.021  -0.679  -0.345
   36   2HB   CYS   5          1HB       CYS   5  -0.919  -1.521   0.882
   37    H    THR   6           H        THR   6   1.226  -1.446   3.686
   38    HA   THR   6           HA       THR   6   3.289  -3.186   2.429
   39    HB   THR   6           HB       THR   6   4.544  -1.575   3.739
   40    HG1  THR   6           HG1      THR   6   4.512  -3.081   5.877
   41   1HG2  THR   6          1HG2      THR   6   2.542  -2.104   6.015
   42   2HG2  THR   6          3HG2      THR   6   3.907  -1.001   6.081
   43   3HG2  THR   6          2HG2      THR   6   2.529  -0.629   5.058
   44    NH1  ARG   7           NH1      ARG   7  -1.238 -10.286   2.892
   45    NH2  ARG   7           NH2      ARG   7  -0.794 -12.458   3.454
   46    H    ARG   7           H        ARG   7   3.911  -5.026   3.687
   47    HA   ARG   7           HA       ARG   7   1.658  -6.301   5.172
   48   1HB   ARG   7          2HB       ARG   7   1.920  -7.174   2.759
   49   2HB   ARG   7          1HB       ARG   7   3.529  -7.731   3.188
   50   1HG   ARG   7          2HG       ARG   7   2.659  -9.220   4.891
   51   2HG   ARG   7          1HG       ARG   7   1.054  -8.516   4.802
   52   1HD   ARG   7          2HD       ARG   7   0.990  -9.356   2.361
   53   2HD   ARG   7          1HD       ARG   7   2.443 -10.276   2.740
   54    HE   ARG   7           HE       ARG   7   1.095 -11.319   4.628
   55   1HH1  ARG   7          2HH1      ARG   7  -0.945  -9.331   2.858
   56   2HH1  ARG   7          1HH1      ARG   7  -2.140 -10.542   2.545
   57   1HH2  ARG   7          1HH2      ARG   7  -0.161 -13.128   3.842
   58   2HH2  ARG   7          2HH2      ARG   7  -1.688 -12.753   3.119
   59    H    ASN   8           H        ASN   8   2.504  -6.043   7.115
   60    HA   ASN   8           HA       ASN   8   3.887  -6.198   8.954
   61   1HB   ASN   8          2HB       ASN   8   4.281  -8.644   7.363
   62   2HB   ASN   8          1HB       ASN   8   5.509  -8.408   8.592
   63   1HD2  ASN   8          2HD2      ASN   8   1.978  -9.835   9.701
   64   2HD2  ASN   8          1HD2      ASN   8   2.550  -9.842   8.104
   65    H    GLY   9           H        GLY   9   4.750  -4.390   7.090
   66   1HA   GLY   9          2HA       GLY   9   6.561  -2.867   7.172
   67   2HA   GLY   9          1HA       GLY   9   7.585  -4.134   7.797
   68    H    LEU  10           H        LEU  10   5.690  -4.866   5.030
   69    HA   LEU  10           HA       LEU  10   8.004  -4.519   3.182
   70   1HB   LEU  10          2HB       LEU  10   6.020  -6.795   3.464
   71   2HB   LEU  10          1HB       LEU  10   7.078  -6.612   2.104
   72    HG   LEU  10           HG       LEU  10   8.229  -6.622   4.941
   73   1HD1  LEU  10          3HD1      LEU  10   7.819  -9.064   3.142
   74   2HD1  LEU  10          2HD1      LEU  10   8.686  -9.043   4.668
   75   3HD1  LEU  10          1HD1      LEU  10   6.960  -8.755   4.642
   76   1HD2  LEU  10          1HD2      LEU  10   9.382  -7.329   2.193
   77   2HD2  LEU  10          3HD2      LEU  10   9.678  -5.819   3.031
   78   3HD2  LEU  10          2HD2      LEU  10  10.290  -7.320   3.695
   79    HA   PRO  11           HA       PRO  11   4.485  -1.937   1.336
   80   1HB   PRO  11          2HB       PRO  11   6.369  -0.353   0.067
   81   2HB   PRO  11          1HB       PRO  11   5.674   0.011   1.641
   82   1HG   PRO  11          2HG       PRO  11   8.303  -1.432   1.053
   83   2HG   PRO  11          1HG       PRO  11   8.003  -0.097   2.169
   84   1HD   PRO  11          2HD       PRO  11   8.090  -2.543   3.162
   85   2HD   PRO  11          1HD       PRO  11   6.759  -1.500   3.706
   86    H    VAL  12           H        VAL  12   3.987  -3.853   0.359
   87    HA   VAL  12           HA       VAL  12   4.925  -4.049  -2.441
   88    HB   VAL  12           HB       VAL  12   4.926  -6.531  -0.614
   89   1HG1  VAL  12          2HG1      VAL  12   5.959  -6.155  -3.465
   90   2HG1  VAL  12          1HG1      VAL  12   6.086  -7.634  -2.530
   91   3HG1  VAL  12          3HG1      VAL  12   4.519  -7.056  -3.039
   92   1HG2  VAL  12          2HG2      VAL  12   7.361  -5.000  -1.643
   93   2HG2  VAL  12          1HG2      VAL  12   6.846  -5.087   0.031
   94   3HG2  VAL  12          3HG2      VAL  12   7.401  -6.528  -0.783
   95    H    CYS  13           H        CYS  13   2.577  -3.040  -1.637
   96    HA   CYS  13           HA       CYS  13   0.529  -5.176  -2.052
   97   1HB   CYS  13          2HB       CYS  13   0.548  -2.479  -0.905
   98   2HB   CYS  13          1HB       CYS  13  -0.980  -3.221  -1.297
   99    H    GLY  14           H        GLY  14   1.720  -2.108  -3.318
  100   1HA   GLY  14          2HA       GLY  14   1.733  -1.905  -5.796
  101   2HA   GLY  14          1HA       GLY  14   0.100  -2.540  -5.770
  102    H    GLU  15           H        GLU  15  -0.593  -0.982  -3.416
  103    HA   GLU  15           HA       GLU  15  -1.001   1.640  -4.724
  104   1HB   GLU  15          2HB       GLU  15  -3.022   0.291  -4.329
  105   2HB   GLU  15          1HB       GLU  15  -2.661   0.173  -2.621
  106   1HG   GLU  15          2HG       GLU  15  -3.031   2.615  -2.376
  107   2HG   GLU  15          1HG       GLU  15  -3.267   2.782  -4.101
  108    H    THR  16           H        THR  16  -1.358   3.385  -3.249
  109    HA   THR  16           HA       THR  16   0.567   3.363  -0.968
  110    HB   THR  16           HB       THR  16   0.987   5.831  -1.608
  111    HG1  THR  16           HG1      THR  16  -0.475   6.572  -2.870
  112   1HG2  THR  16          1HG2      THR  16   2.478   4.008  -2.674
  113   2HG2  THR  16          3HG2      THR  16   1.340   3.929  -4.005
  114   3HG2  THR  16          2HG2      THR  16   2.243   5.403  -3.711
  115    H    CYS  17           H        CYS  17   0.159   5.093   0.678
  116    HA   CYS  17           HA       CYS  17  -2.734   5.766   0.906
  117   1HB   CYS  17          2HB       CYS  17  -2.629   4.966   3.299
  118   2HB   CYS  17          1HB       CYS  17  -2.597   3.708   2.114
  119    H    VAL  18           H        VAL  18  -0.674   7.515   0.295
  120    HA   VAL  18           HA       VAL  18   0.527   8.989   2.321
  121    HB   VAL  18           HB       VAL  18  -0.818  10.098  -0.200
  122   1HG1  VAL  18          2HG1      VAL  18   1.488  11.137   1.486
  123   2HG1  VAL  18          1HG1      VAL  18   0.895  11.875   0.003
  124   3HG1  VAL  18          3HG1      VAL  18  -0.125  11.842   1.436
  125   1HG2  VAL  18          2HG2      VAL  18   2.025   9.056   0.247
  126   2HG2  VAL  18          1HG2      VAL  18   0.799   8.224  -0.691
  127   3HG2  VAL  18          3HG2      VAL  18   1.434   9.761  -1.245
  128    H    GLY  19           H        GLY  19  -2.708   9.251   1.089
  129   1HA   GLY  19          2HA       GLY  19  -3.862  11.358   2.440
  130   2HA   GLY  19          1HA       GLY  19  -4.735   9.855   2.107
  131    H    GLY  20           H        GLY  20  -3.092   8.237   3.598
  132   1HA   GLY  20          2HA       GLY  20  -2.256   8.119   5.968
  133   2HA   GLY  20          1HA       GLY  20  -3.790   8.851   6.393
  134    H    THR  21           H        THR  21  -4.261   6.545   3.880
  135    HA   THR  21           HA       THR  21  -4.396   4.220   5.601
  136    HB   THR  21           HB       THR  21  -7.032   4.143   4.829
  137    HG1  THR  21           HG1      THR  21  -7.278   6.633   5.697
  138   1HG2  THR  21          2HG2      THR  21  -6.252   3.821   7.211
  139   2HG2  THR  21          1HG2      THR  21  -6.149   5.561   7.409
  140   3HG2  THR  21          3HG2      THR  21  -7.702   4.802   7.122
  141    H    CYS  22           H        CYS  22  -5.063   2.318   4.582
  142    HA   CYS  22           HA       CYS  22  -4.937   2.358   1.617
  143   1HB   CYS  22          2HB       CYS  22  -2.931   1.295   2.905
  144   2HB   CYS  22          1HB       CYS  22  -4.065   0.094   3.451
  145    H    ASN  23           H        ASN  23  -6.220   0.615   0.604
  146    HA   ASN  23           HA       ASN  23  -8.392  -0.455   2.358
  147   1HB   ASN  23          2HB       ASN  23  -8.720   1.072  -0.271
  148   2HB   ASN  23          1HB       ASN  23 -10.009   0.106   0.430
  149   1HD2  ASN  23          2HD2      ASN  23 -11.005   2.675   2.574
  150   2HD2  ASN  23          1HD2      ASN  23 -11.397   1.270   1.708
  151    H    THR  24           H        THR  24  -6.207  -1.979   1.559
  152    HA   THR  24           HA       THR  24  -7.487  -3.860  -0.357
  153    HB   THR  24           HB       THR  24  -5.028  -4.482  -0.931
  154    HG1  THR  24           HG1      THR  24  -4.042  -2.122  -0.320
  155   1HG2  THR  24          1HG2      THR  24  -5.894  -1.580  -1.480
  156   2HG2  THR  24          3HG2      THR  24  -4.740  -2.496  -2.434
  157   3HG2  THR  24          2HG2      THR  24  -6.436  -2.951  -2.436
  158    HA   PRO  25           HA       PRO  25  -7.416  -6.754   2.938
  159   1HB   PRO  25          2HB       PRO  25  -7.878  -9.063   1.645
  160   2HB   PRO  25          1HB       PRO  25  -9.060  -7.748   1.592
  161   1HG   PRO  25          2HG       PRO  25  -6.798  -8.251  -0.441
  162   2HG   PRO  25          1HG       PRO  25  -8.529  -8.224  -0.783
  163   1HD   PRO  25          2HD       PRO  25  -7.092  -5.959  -1.086
  164   2HD   PRO  25          1HD       PRO  25  -8.673  -5.858  -0.274
  165    H    GLY  26           H        GLY  26  -5.538  -6.985   4.025
  166   1HA   GLY  26          2HA       GLY  26  -3.797  -8.602   4.619
  167   2HA   GLY  26          1HA       GLY  26  -3.475  -8.790   2.900
  168    H    CYS  27           H        CYS  27  -4.074  -5.619   3.290
  169    HA   CYS  27           HA       CYS  27  -1.204  -4.911   3.617
  170   1HB   CYS  27          2HB       CYS  27  -3.442  -3.695   2.085
  171   2HB   CYS  27          1HB       CYS  27  -1.862  -2.973   2.226
  172    H    THR  28           H        THR  28  -0.617  -3.413   4.816
  173    HA   THR  28           HA       THR  28  -2.421  -2.032   6.724
  174    HB   THR  28           HB       THR  28   0.364  -3.143   6.947
  175    HG1  THR  28           HG1      THR  28  -1.210  -3.764   8.973
  176   1HG2  THR  28          3HG2      THR  28  -1.092  -1.456   9.017
  177   2HG2  THR  28          2HG2      THR  28   0.443  -2.293   9.269
  178   3HG2  THR  28          1HG2      THR  28   0.353  -0.958   8.138
  179    H    CYS  29           H        CYS  29  -1.474   0.077   7.344
  180    HA   CYS  29           HA       CYS  29  -0.072   1.268   4.990
  181   1HB   CYS  29          2HB       CYS  29  -2.337   2.039   5.317
  182   2HB   CYS  29          1HB       CYS  29  -1.967   2.559   6.934
   
  Start of MODEL           4
 Raw file had  182 H/Q atoms
  Start of MODEL    4
    1    H    SER   1           H        SER   1   1.706   2.276   4.833
    2    HA   SER   1           HA       SER   1   3.409   3.016   7.172
    3   1HB   SER   1          2HB       SER   1   4.464   1.292   5.370
    4   2HB   SER   1          1HB       SER   1   4.213   2.565   4.173
    5    HG   SER   1           HG       SER   1   5.888   3.508   4.938
    6    CH2  TRP   2           CH2      TRP   2   5.940  10.502   2.441
    7    H    TRP   2           H        TRP   2   3.004   5.297   7.233
    8    HA   TRP   2           HA       TRP   2   1.316   6.908   6.288
    9   1HB   TRP   2          2HB       TRP   2   2.986   8.302   7.094
   10   2HB   TRP   2          1HB       TRP   2   4.286   7.477   6.254
   11    HD1  TRP   2           HD1      TRP   2   1.028   9.352   4.978
   12    HE1  TRP   2           HE1      TRP   2   1.788  10.780   3.096
   13    HE3  TRP   2           HE3      TRP   2   5.955   8.379   5.060
   14    HZ2  TRP   2           HZ2      TRP   2   4.186  11.433   1.665
   15    HZ3  TRP   2           HZ3      TRP   2   7.478   9.390   3.429
   16    HH2  TRP   2           HH2      TRP   2   6.606  10.951   1.719
   17    HA   PRO   3           HA       PRO   3   1.790   7.410   1.806
   18   1HB   PRO   3          2HB       PRO   3   3.993   7.309   0.381
   19   2HB   PRO   3          1HB       PRO   3   3.786   8.546   1.602
   20   1HG   PRO   3          2HG       PRO   3   5.409   5.997   1.666
   21   2HG   PRO   3          1HG       PRO   3   5.806   7.504   2.424
   22   1HD   PRO   3          2HD       PRO   3   4.499   5.242   3.575
   23   2HD   PRO   3          1HD       PRO   3   4.725   6.731   4.450
   24    H    VAL   4           H        VAL   4   3.196   4.306   2.492
   25    HA   VAL   4           HA       VAL   4   1.932   3.252  -0.001
   26    HB   VAL   4           HB       VAL   4   4.357   1.902   1.123
   27   1HG1  VAL   4          3HG1      VAL   4   3.286   2.167  -1.707
   28   2HG1  VAL   4          2HG1      VAL   4   4.711   1.255  -1.239
   29   3HG1  VAL   4          1HG1      VAL   4   3.133   0.756  -0.676
   30   1HG2  VAL   4          1HG2      VAL   4   4.505   4.371  -0.630
   31   2HG2  VAL   4          3HG2      VAL   4   5.111   4.168   1.004
   32   3HG2  VAL   4          2HG2      VAL   4   5.845   3.275  -0.301
   33    H    CYS   5           H        CYS   5   1.386   1.028  -0.013
   34    HA   CYS   5           HA       CYS   5   0.293   0.086   2.594
   35   1HB   CYS   5          2HB       CYS   5  -0.102  -0.712  -0.272
   36   2HB   CYS   5          1HB       CYS   5  -0.809  -1.598   1.046
   37    H    THR   6           H        THR   6   1.198  -1.562   3.645
   38    HA   THR   6           HA       THR   6   3.316  -3.205   2.371
   39    HB   THR   6           HB       THR   6   4.642  -1.810   3.741
   40    HG1  THR   6           HG1      THR   6   3.689  -3.874   5.396
   41   1HG2  THR   6          2HG2      THR   6   2.454  -1.737   5.867
   42   2HG2  THR   6          1HG2      THR   6   3.982  -0.888   5.928
   43   3HG2  THR   6          3HG2      THR   6   2.776  -0.438   4.737
   44    NH1  ARG   7           NH1      ARG   7   0.260 -11.155   6.207
   45    NH2  ARG   7           NH2      ARG   7  -1.512 -10.840   4.798
   46    H    ARG   7           H        ARG   7   3.927  -5.066   3.587
   47    HA   ARG   7           HA       ARG   7   1.599  -6.552   4.727
   48   1HB   ARG   7          2HB       ARG   7   2.301  -7.329   2.439
   49   2HB   ARG   7          1HB       ARG   7   3.925  -7.599   3.022
   50   1HG   ARG   7          2HG       ARG   7   2.926  -9.767   3.132
   51   2HG   ARG   7          1HG       ARG   7   2.821  -9.199   4.785
   52   1HD   ARG   7          2HD       ARG   7   0.488  -8.523   4.478
   53   2HD   ARG   7          1HD       ARG   7   0.555  -8.934   2.763
   54    HE   ARG   7           HE       ARG   7   0.981 -11.321   3.528
   55   1HH1  ARG   7          2HH1      ARG   7   1.251 -11.164   6.346
   56   2HH1  ARG   7          1HH1      ARG   7  -0.355 -11.366   6.967
   57   1HH2  ARG   7          1HH2      ARG   7  -1.847 -10.614   3.883
   58   2HH2  ARG   7          2HH2      ARG   7  -2.160 -11.046   5.532
   59    H    ASN   8           H        ASN   8   2.117  -6.071   6.788
   60    HA   ASN   8           HA       ASN   8   3.197  -6.116   8.846
   61   1HB   ASN   8          2HB       ASN   8   2.714  -8.531   8.250
   62   2HB   ASN   8          1HB       ASN   8   4.369  -8.632   7.698
   63   1HD2  ASN   8          2HD2      ASN   8   3.557  -9.058  11.605
   64   2HD2  ASN   8          1HD2      ASN   8   2.339  -8.897  10.431
   65    H    GLY   9           H        GLY   9   4.444  -4.481   7.055
   66   1HA   GLY   9          2HA       GLY   9   6.394  -3.125   7.456
   67   2HA   GLY   9          1HA       GLY   9   7.244  -4.551   7.990
   68    H    LEU  10           H        LEU  10   5.533  -5.056   5.096
   69    HA   LEU  10           HA       LEU  10   7.970  -4.608   3.440
   70   1HB   LEU  10          2HB       LEU  10   5.913  -6.821   3.392
   71   2HB   LEU  10          1HB       LEU  10   7.132  -6.599   2.167
   72    HG   LEU  10           HG       LEU  10   7.801  -6.948   5.140
   73   1HD1  LEU  10          3HD1      LEU  10   7.806  -9.051   2.929
   74   2HD1  LEU  10          2HD1      LEU  10   8.384  -9.286   4.572
   75   3HD1  LEU  10          1HD1      LEU  10   6.680  -8.985   4.278
   76   1HD2  LEU  10          1HD2      LEU  10   9.520  -7.203   2.625
   77   2HD2  LEU  10          3HD2      LEU  10   9.606  -5.872   3.767
   78   3HD2  LEU  10          2HD2      LEU  10  10.072  -7.483   4.267
   79    HA   PRO  11           HA       PRO  11   4.640  -1.858   1.560
   80   1HB   PRO  11          2HB       PRO  11   6.549  -0.257   0.367
   81   2HB   PRO  11          1HB       PRO  11   5.888   0.030   1.973
   82   1HG   PRO  11          2HG       PRO  11   8.443  -1.499   1.265
   83   2HG   PRO  11          1HG       PRO  11   8.251  -0.186   2.433
   84   1HD   PRO  11          2HD       PRO  11   8.217  -2.670   3.345
   85   2HD   PRO  11          1HD       PRO  11   6.933  -1.598   3.940
   86    H    VAL  12           H        VAL  12   4.045  -3.696   0.390
   87    HA   VAL  12           HA       VAL  12   5.069  -3.701  -2.378
   88    HB   VAL  12           HB       VAL  12   6.490  -5.301  -0.936
   89   1HG1  VAL  12          2HG1      VAL  12   4.689  -6.313   0.445
   90   2HG1  VAL  12          1HG1      VAL  12   4.003  -7.065  -0.974
   91   3HG1  VAL  12          3HG1      VAL  12   5.596  -7.530  -0.422
   92   1HG2  VAL  12          1HG2      VAL  12   5.088  -6.474  -3.362
   93   2HG2  VAL  12          3HG2      VAL  12   6.519  -5.458  -3.364
   94   3HG2  VAL  12          2HG2      VAL  12   6.584  -7.063  -2.661
   95    H    CYS  13           H        CYS  13   2.520  -3.032  -1.065
   96    HA   CYS  13           HA       CYS  13   0.626  -5.156  -1.755
   97   1HB   CYS  13          2HB       CYS  13   0.280  -3.178  -0.068
   98   2HB   CYS  13          1HB       CYS  13  -0.008  -2.283  -1.509
   99    H    GLY  14           H        GLY  14   1.660  -2.090  -3.018
  100   1HA   GLY  14          2HA       GLY  14   2.122  -1.898  -5.445
  101   2HA   GLY  14          1HA       GLY  14   0.591  -2.735  -5.704
  102    H    GLU  15           H        GLU  15  -0.313  -1.115  -3.197
  103    HA   GLU  15           HA       GLU  15  -1.034   1.337  -4.709
  104   1HB   GLU  15          2HB       GLU  15  -2.907  -0.181  -4.178
  105   2HB   GLU  15          1HB       GLU  15  -2.532  -0.107  -2.473
  106   1HG   GLU  15          2HG       GLU  15  -4.469   1.338  -3.114
  107   2HG   GLU  15          1HG       GLU  15  -3.183   2.292  -2.426
  108    H    THR  16           H        THR  16  -1.572   3.146  -3.289
  109    HA   THR  16           HA       THR  16   0.414   3.427  -1.092
  110    HB   THR  16           HB       THR  16   0.576   5.859  -1.823
  111    HG1  THR  16           HG1      THR  16  -0.535   5.408  -4.239
  112   1HG2  THR  16          2HG2      THR  16   2.163   4.117  -2.848
  113   2HG2  THR  16          1HG2      THR  16   1.011   3.898  -4.154
  114   3HG2  THR  16          3HG2      THR  16   1.805   5.448  -3.936
  115    H    CYS  17           H        CYS  17  -0.022   5.178   0.442
  116    HA   CYS  17           HA       CYS  17  -2.868   5.845   0.856
  117   1HB   CYS  17          2HB       CYS  17  -2.734   4.893   3.204
  118   2HB   CYS  17          1HB       CYS  17  -2.729   3.735   1.922
  119    H    VAL  18           H        VAL  18  -0.830   7.582   0.237
  120    HA   VAL  18           HA       VAL  18   0.629   8.905   2.157
  121    HB   VAL  18           HB       VAL  18  -0.997  10.125  -0.127
  122   1HG1  VAL  18          1HG1      VAL  18   1.507  11.134   1.291
  123   2HG1  VAL  18          3HG1      VAL  18   0.729  11.894  -0.084
  124   3HG1  VAL  18          2HG1      VAL  18  -0.092  11.844   1.467
  125   1HG2  VAL  18          3HG2      VAL  18   0.584   8.266  -0.822
  126   2HG2  VAL  18          2HG2      VAL  18   1.134   9.825  -1.405
  127   3HG2  VAL  18          1HG2      VAL  18   1.890   9.098  -0.001
  128    H    GLY  19           H        GLY  19  -2.777   8.857   1.909
  129   1HA   GLY  19          2HA       GLY  19  -3.074  10.917   4.022
  130   2HA   GLY  19          1HA       GLY  19  -4.355  10.403   2.939
  131    H    GLY  20           H        GLY  20  -2.180   8.220   4.530
  132   1HA   GLY  20          2HA       GLY  20  -2.486   6.384   5.867
  133   2HA   GLY  20          1HA       GLY  20  -3.286   7.540   6.920
  134    H    THR  21           H        THR  21  -3.994   5.997   3.877
  135    HA   THR  21           HA       THR  21  -6.659   5.111   4.965
  136    HB   THR  21           HB       THR  21  -6.030   6.011   2.100
  137    HG1  THR  21           HG1      THR  21  -6.413   7.840   3.036
  138   1HG2  THR  21          1HG2      THR  21  -8.700   5.429   3.517
  139   2HG2  THR  21          3HG2      THR  21  -8.504   5.929   1.845
  140   3HG2  THR  21          2HG2      THR  21  -7.997   4.326   2.345
  141    H    CYS  22           H        CYS  22  -4.953   4.264   2.011
  142    HA   CYS  22           HA       CYS  22  -4.446   2.296   0.941
  143   1HB   CYS  22          2HB       CYS  22  -3.003   1.987   3.051
  144   2HB   CYS  22          1HB       CYS  22  -4.334   1.105   3.729
  145    H    ASN  23           H        ASN  23  -6.204   0.924   3.701
  146    HA   ASN  23           HA       ASN  23  -7.951  -0.540   3.878
  147   1HB   ASN  23          2HB       ASN  23  -9.091   1.649   3.469
  148   2HB   ASN  23          1HB       ASN  23  -9.113   1.322   1.745
  149   1HD2  ASN  23          2HD2      ASN  23 -12.103  -0.490   1.992
  150   2HD2  ASN  23          1HD2      ASN  23 -11.049   0.448   1.047
  151    H    THR  24           H        THR  24  -6.116  -1.737   2.494
  152    HA   THR  24           HA       THR  24  -7.567  -3.212   0.327
  153    HB   THR  24           HB       THR  24  -5.044  -3.701  -0.429
  154    HG1  THR  24           HG1      THR  24  -3.649  -2.527   0.558
  155   1HG2  THR  24          2HG2      THR  24  -6.167  -0.879  -0.705
  156   2HG2  THR  24          1HG2      THR  24  -4.975  -1.631  -1.758
  157   3HG2  THR  24          3HG2      THR  24  -6.632  -2.224  -1.743
  158    HA   PRO  25           HA       PRO  25  -7.234  -6.840   2.683
  159   1HB   PRO  25          2HB       PRO  25  -6.639  -8.801   0.823
  160   2HB   PRO  25          1HB       PRO  25  -8.225  -8.024   0.926
  161   1HG   PRO  25          2HG       PRO  25  -5.878  -7.248  -0.891
  162   2HG   PRO  25          1HG       PRO  25  -7.553  -7.562  -1.353
  163   1HD   PRO  25          2HD       PRO  25  -6.784  -5.015  -0.959
  164   2HD   PRO  25          1HD       PRO  25  -8.352  -5.526  -0.285
  165    H    GLY  26           H        GLY  26  -5.784  -7.972   3.836
  166   1HA   GLY  26          2HA       GLY  26  -3.747  -8.139   4.983
  167   2HA   GLY  26          1HA       GLY  26  -3.288  -8.946   3.493
  168    H    CYS  27           H        CYS  27  -4.026  -5.539   3.583
  169    HA   CYS  27           HA       CYS  27  -1.154  -4.795   3.325
  170   1HB   CYS  27          2HB       CYS  27  -3.613  -3.914   1.871
  171   2HB   CYS  27          1HB       CYS  27  -2.122  -3.024   1.797
  172    H    THR  28           H        THR  28  -0.609  -3.468   4.796
  173    HA   THR  28           HA       THR  28  -2.585  -1.849   6.349
  174    HB   THR  28           HB       THR  28  -1.592  -3.328   7.888
  175    HG1  THR  28           HG1      THR  28  -0.939  -1.794   9.114
  176   1HG2  THR  28          2HG2      THR  28   1.134  -2.949   6.600
  177   2HG2  THR  28          1HG2      THR  28   0.824  -3.893   8.042
  178   3HG2  THR  28          3HG2      THR  28   0.154  -4.397   6.506
  179    H    CYS  29           H        CYS  29  -1.397   0.224   7.218
  180    HA   CYS  29           HA       CYS  29   0.084   1.270   4.843
  181   1HB   CYS  29          2HB       CYS  29  -2.112   2.179   5.256
  182   2HB   CYS  29          1HB       CYS  29  -1.592   2.762   6.807
   
  Start of MODEL           5
 Raw file had  182 H/Q atoms
  Start of MODEL    5
    1    H    SER   1           H        SER   1   1.664   2.413   4.825
    2    HA   SER   1           HA       SER   1   3.112   3.093   7.353
    3   1HB   SER   1          2HB       SER   1   4.297   1.342   5.617
    4   2HB   SER   1          1HB       SER   1   4.261   2.678   4.465
    5    HG   SER   1           HG       SER   1   5.942   2.290   6.484
    6    CH2  TRP   2           CH2      TRP   2   5.741  10.841   3.161
    7    H    TRP   2           H        TRP   2   2.438   5.297   7.395
    8    HA   TRP   2           HA       TRP   2   0.885   6.871   6.254
    9   1HB   TRP   2          2HB       TRP   2   2.388   8.283   7.324
   10   2HB   TRP   2          1HB       TRP   2   3.811   7.557   6.603
   11    HD1  TRP   2           HD1      TRP   2   0.619   9.322   5.022
   12    HE1  TRP   2           HE1      TRP   2   1.534  10.878   3.304
   13    HE3  TRP   2           HE3      TRP   2   5.567   8.593   5.673
   14    HZ2  TRP   2           HZ2      TRP   2   4.041  11.711   2.213
   15    HZ3  TRP   2           HZ3      TRP   2   7.211   9.766   4.281
   16    HH2  TRP   2           HH2      TRP   2   6.461  11.362   2.546
   17    HA   PRO   3           HA       PRO   3   1.847   7.563   1.901
   18   1HB   PRO   3          2HB       PRO   3   4.199   7.641   0.735
   19   2HB   PRO   3          1HB       PRO   3   3.783   8.822   1.963
   20   1HG   PRO   3          2HG       PRO   3   5.561   6.389   2.124
   21   2HG   PRO   3          1HG       PRO   3   5.746   7.878   2.989
   22   1HD   PRO   3          2HD       PRO   3   4.493   5.477   3.864
   23   2HD   PRO   3          1HD       PRO   3   4.494   6.910   4.846
   24    H    VAL   4           H        VAL   4   3.182   4.511   2.652
   25    HA   VAL   4           HA       VAL   4   2.419   3.494  -0.046
   26    HB   VAL   4           HB       VAL   4   4.650   2.203   1.494
   27   1HG1  VAL   4          3HG1      VAL   4   4.079   2.446  -1.482
   28   2HG1  VAL   4          2HG1      VAL   4   5.432   1.578  -0.770
   29   3HG1  VAL   4          1HG1      VAL   4   3.797   1.020  -0.492
   30   1HG2  VAL   4          1HG2      VAL   4   5.018   4.651  -0.266
   31   2HG2  VAL   4          3HG2      VAL   4   5.305   4.540   1.462
   32   3HG2  VAL   4          2HG2      VAL   4   6.320   3.641   0.363
   33    H    CYS   5           H        CYS   5   1.916   1.257  -0.143
   34    HA   CYS   5           HA       CYS   5   0.500   0.232   2.291
   35   1HB   CYS   5          2HB       CYS   5   0.321  -0.365  -0.661
   36   2HB   CYS   5          1HB       CYS   5  -0.366  -1.423   0.531
   37    H    THR   6           H        THR   6   1.266  -1.415   3.311
   38    HA   THR   6           HA       THR   6   3.534  -2.984   2.188
   39    HB   THR   6           HB       THR   6   4.643  -1.861   3.960
   40    HG1  THR   6           HG1      THR   6   3.637  -3.311   5.929
   41   1HG2  THR   6          2HG2      THR   6   2.014  -1.840   5.559
   42   2HG2  THR   6          1HG2      THR   6   3.514  -1.058   6.029
   43   3HG2  THR   6          3HG2      THR   6   2.608  -0.454   4.658
   44    NH1  ARG   7           NH2      ARG   7   3.676 -10.722   2.206
   45    NH2  ARG   7           NH1      ARG   7   1.515 -10.639   1.464
   46    H    ARG   7           H        ARG   7   3.481  -5.168   2.421
   47    HA   ARG   7           HA       ARG   7   0.874  -6.251   3.327
   48   1HB   ARG   7          2HB       ARG   7   1.606  -8.323   2.162
   49   2HB   ARG   7          1HB       ARG   7   1.581  -6.948   1.090
   50   1HG   ARG   7          2HG       ARG   7   4.089  -6.714   1.433
   51   2HG   ARG   7          1HG       ARG   7   4.057  -8.258   2.269
   52   1HD   ARG   7          2HD       ARG   7   3.050  -7.865  -0.577
   53   2HD   ARG   7          1HD       ARG   7   4.674  -8.387  -0.190
   54    HE   ARG   7           HE       ARG   7   3.176 -10.339  -0.627
   55   1HH1  ARG   7          1HH2      ARG   7   4.643 -10.522   2.046
   56   2HH1  ARG   7          2HH2      ARG   7   3.392 -11.168   3.053
   57   1HH2  ARG   7          2HH1      ARG   7   0.867 -10.377   0.750
   58   2HH2  ARG   7          1HH1      ARG   7   1.188 -11.083   2.298
   59    H    ASN   8           H        ASN   8   1.020  -6.132   5.340
   60    HA   ASN   8           HA       ASN   8   1.484  -6.495   7.558
   61   1HB   ASN   8          2HB       ASN   8   2.566  -9.044   6.412
   62   2HB   ASN   8          1HB       ASN   8   2.051  -8.830   8.079
   63   1HD2  ASN   8          2HD2      ASN   8  -0.699  -9.726   5.321
   64   2HD2  ASN   8          1HD2      ASN   8   0.973  -9.882   5.069
   65    H    GLY   9           H        GLY   9   3.336  -4.894   6.460
   66   1HA   GLY   9          2HA       GLY   9   5.219  -3.891   7.602
   67   2HA   GLY   9          1HA       GLY   9   5.750  -5.488   8.063
   68    H    LEU  10           H        LEU  10   4.815  -5.413   4.824
   69    HA   LEU  10           HA       LEU  10   7.623  -5.031   3.889
   70   1HB   LEU  10          2HB       LEU  10   5.488  -6.938   2.976
   71   2HB   LEU  10          1HB       LEU  10   7.065  -6.798   2.246
   72    HG   LEU  10           HG       LEU  10   6.533  -7.567   5.175
   73   1HD1  LEU  10          1HD1      LEU  10   5.777  -9.345   3.606
   74   2HD1  LEU  10          3HD1      LEU  10   7.360  -9.349   2.844
   75   3HD1  LEU  10          2HD1      LEU  10   7.187  -9.848   4.517
   76   1HD2  LEU  10          1HD2      LEU  10   9.110  -7.624   3.536
   77   2HD2  LEU  10          3HD2      LEU  10   8.765  -6.496   4.836
   78   3HD2  LEU  10          2HD2      LEU  10   8.944  -8.202   5.187
   79    HA   PRO  11           HA       PRO  11   5.045  -1.718   1.750
   80   1HB   PRO  11          2HB       PRO  11   7.248  -0.158   1.192
   81   2HB   PRO  11          1HB       PRO  11   6.351  -0.069   2.706
   82   1HG   PRO  11          2HG       PRO  11   8.845  -1.749   2.116
   83   2HG   PRO  11          1HG       PRO  11   8.600  -0.601   3.439
   84   1HD   PRO  11          2HD       PRO  11   8.181  -3.161   3.949
   85   2HD   PRO  11          1HD       PRO  11   6.916  -2.035   4.491
   86    H    VAL  12           H        VAL  12   4.543  -3.311   0.219
   87    HA   VAL  12           HA       VAL  12   5.755  -2.795  -2.359
   88    HB   VAL  12           HB       VAL  12   7.383  -4.439  -1.283
   89   1HG1  VAL  12          3HG1      VAL  12   5.816  -5.861  -0.005
   90   2HG1  VAL  12          2HG1      VAL  12   5.125  -6.477  -1.492
   91   3HG1  VAL  12          1HG1      VAL  12   6.793  -6.815  -1.091
   92   1HG2  VAL  12          3HG2      VAL  12   6.018  -5.426  -3.812
   93   2HG2  VAL  12          2HG2      VAL  12   7.316  -4.251  -3.701
   94   3HG2  VAL  12          1HG2      VAL  12   7.600  -5.921  -3.239
   95    H    CYS  13           H        CYS  13   3.183  -2.492  -1.355
   96    HA   CYS  13           HA       CYS  13   1.553  -4.674  -2.573
   97   1HB   CYS  13          2HB       CYS  13   1.028  -2.336  -0.859
   98   2HB   CYS  13          1HB       CYS  13  -0.303  -3.116  -1.634
   99    H    GLY  14           H        GLY  14   3.269  -2.719  -3.924
  100   1HA   GLY  14          2HA       GLY  14   3.388  -1.238  -5.692
  101   2HA   GLY  14          1HA       GLY  14   2.156  -2.300  -6.348
  102    H    GLU  15           H        GLU  15   1.392  -0.524  -3.540
  103    HA   GLU  15           HA       GLU  15   0.073   1.623  -5.071
  104   1HB   GLU  15          2HB       GLU  15  -1.356  -0.503  -4.511
  105   2HB   GLU  15          1HB       GLU  15  -1.458   0.143  -2.898
  106   1HG   GLU  15          2HG       GLU  15  -2.257   1.669  -5.433
  107   2HG   GLU  15          1HG       GLU  15  -3.366   0.661  -4.542
  108    H    THR  16           H        THR  16  -0.820   3.200  -3.615
  109    HA   THR  16           HA       THR  16   0.910   3.613  -1.202
  110    HB   THR  16           HB       THR  16   0.983   6.079  -1.825
  111    HG1  THR  16           HG1      THR  16  -0.465   6.541  -3.263
  112   1HG2  THR  16          1HG2      THR  16   1.919   4.212  -4.077
  113   2HG2  THR  16          3HG2      THR  16   2.536   5.822  -3.742
  114   3HG2  THR  16          2HG2      THR  16   2.847   4.513  -2.614
  115    H    CYS  17           H        CYS  17   0.310   5.191   0.391
  116    HA   CYS  17           HA       CYS  17  -2.605   5.772   0.522
  117   1HB   CYS  17          2HB       CYS  17  -2.691   4.797   2.826
  118   2HB   CYS  17          1HB       CYS  17  -2.402   3.629   1.587
  119    H    VAL  18           H        VAL  18  -0.554   7.593   0.129
  120    HA   VAL  18           HA       VAL  18   0.615   8.986   2.194
  121    HB   VAL  18           HB       VAL  18  -0.794  10.122  -0.273
  122   1HG1  VAL  18          1HG1      VAL  18  -0.141  11.888   1.410
  123   2HG1  VAL  18          3HG1      VAL  18   1.494  11.240   1.396
  124   3HG1  VAL  18          2HG1      VAL  18   0.826  11.972  -0.055
  125   1HG2  VAL  18          1HG2      VAL  18   0.939   8.336  -0.759
  126   2HG2  VAL  18          3HG2      VAL  18   1.481   9.915  -1.296
  127   3HG2  VAL  18          2HG2      VAL  18   2.103   9.233   0.195
  128    H    GLY  19           H        GLY  19  -2.734   8.779   1.575
  129   1HA   GLY  19          2HA       GLY  19  -3.326  10.779   3.686
  130   2HA   GLY  19          1HA       GLY  19  -4.440  10.339   2.403
  131    H    GLY  20           H        GLY  20  -2.493   8.107   4.252
  132   1HA   GLY  20          2HA       GLY  20  -3.014   6.174   5.406
  133   2HA   GLY  20          1HA       GLY  20  -3.930   7.303   6.398
  134    H    THR  21           H        THR  21  -4.094   5.793   3.294
  135    HA   THR  21           HA       THR  21  -7.023   5.287   3.612
  136    HB   THR  21           HB       THR  21  -5.381   5.436   1.037
  137    HG1  THR  21           HG1      THR  21  -5.721   7.465   1.416
  138   1HG2  THR  21          3HG2      THR  21  -8.415   5.462   1.561
  139   2HG2  THR  21          2HG2      THR  21  -7.644   5.601  -0.010
  140   3HG2  THR  21          1HG2      THR  21  -7.581   4.083   0.866
  141    H    CYS  22           H        CYS  22  -4.420   3.514   1.944
  142    HA   CYS  22           HA       CYS  22  -5.011   1.203   1.122
  143   1HB   CYS  22          2HB       CYS  22  -2.792   1.806   2.566
  144   2HB   CYS  22          1HB       CYS  22  -3.495   0.647   3.650
  145    H    ASN  23           H        ASN  23  -5.031   0.949   4.623
  146    HA   ASN  23           HA       ASN  23  -6.015  -0.741   5.929
  147   1HB   ASN  23          2HB       ASN  23  -7.000   1.509   6.366
  148   2HB   ASN  23          1HB       ASN  23  -8.226   1.212   5.145
  149   1HD2  ASN  23          2HD2      ASN  23 -10.337  -0.401   7.424
  150   2HD2  ASN  23          1HD2      ASN  23 -10.152   0.457   5.972
  151    H    THR  24           H        THR  24  -5.735  -2.105   3.915
  152    HA   THR  24           HA       THR  24  -8.376  -3.411   3.318
  153    HB   THR  24           HB       THR  24  -7.499  -2.340   1.252
  154    HG1  THR  24           HG1      THR  24  -6.828  -4.861   0.584
  155   1HG2  THR  24          1HG2      THR  24  -4.995  -2.454   1.860
  156   2HG2  THR  24          3HG2      THR  24  -5.077  -4.192   1.607
  157   3HG2  THR  24          2HG2      THR  24  -5.347  -3.095   0.266
  158    HA   PRO  25           HA       PRO  25  -6.749  -7.080   5.222
  159   1HB   PRO  25          2HB       PRO  25  -8.064  -9.037   3.782
  160   2HB   PRO  25          1HB       PRO  25  -8.846  -8.050   5.020
  161   1HG   PRO  25          2HG       PRO  25  -8.759  -7.532   1.998
  162   2HG   PRO  25          1HG       PRO  25 -10.181  -7.599   3.048
  163   1HD   PRO  25          2HD       PRO  25  -9.145  -5.208   2.494
  164   2HD   PRO  25          1HD       PRO  25  -9.574  -5.541   4.185
  165    H    GLY  26           H        GLY  26  -4.657  -7.162   4.839
  166   1HA   GLY  26          2HA       GLY  26  -3.046  -8.813   3.800
  167   2HA   GLY  26          1HA       GLY  26  -3.642  -8.205   2.259
  168    H    CYS  27           H        CYS  27  -3.825  -5.544   2.664
  169    HA   CYS  27           HA       CYS  27  -0.996  -4.709   3.148
  170   1HB   CYS  27          2HB       CYS  27  -3.078  -3.618   1.277
  171   2HB   CYS  27          1HB       CYS  27  -1.514  -2.922   1.558
  172    H    THR  28           H        THR  28  -0.563  -3.381   4.497
  173    HA   THR  28           HA       THR  28  -2.496  -1.843   6.128
  174    HB   THR  28           HB       THR  28   0.220  -3.021   6.604
  175    HG1  THR  28           HG1      THR  28  -2.195  -3.870   7.001
  176   1HG2  THR  28          2HG2      THR  28  -1.239  -1.189   8.541
  177   2HG2  THR  28          1HG2      THR  28   0.201  -2.136   8.915
  178   3HG2  THR  28          3HG2      THR  28   0.290  -0.849   7.741
  179    H    CYS  29           H        CYS  29  -1.442   0.217   6.932
  180    HA   CYS  29           HA       CYS  29   0.026   1.435   4.643
  181   1HB   CYS  29          2HB       CYS  29  -2.251   2.236   5.033
  182   2HB   CYS  29          1HB       CYS  29  -1.793   2.766   6.625
   
  Start of MODEL           6
 Raw file had  182 H/Q atoms
  Start of MODEL    6
    1    H    SER   1           H        SER   1   1.609   2.121   4.863
    2    HA   SER   1           HA       SER   1   3.279   2.793   7.250
    3   1HB   SER   1          2HB       SER   1   4.245   1.023   5.415
    4   2HB   SER   1          1HB       SER   1   4.129   2.344   4.264
    5    HG   SER   1           HG       SER   1   5.262   3.254   6.515
    6    CH2  TRP   2           CH2      TRP   2   5.926  10.370   2.745
    7    H    TRP   2           H        TRP   2   2.751   5.064   7.334
    8    HA   TRP   2           HA       TRP   2   1.140   6.686   6.320
    9   1HB   TRP   2          2HB       TRP   2   2.776   8.053   7.209
   10   2HB   TRP   2          1HB       TRP   2   4.109   7.242   6.413
   11    HD1  TRP   2           HD1      TRP   2   0.898   9.148   5.038
   12    HE1  TRP   2           HE1      TRP   2   1.752  10.626   3.227
   13    HE3  TRP   2           HE3      TRP   2   5.838   8.169   5.303
   14    HZ2  TRP   2           HZ2      TRP   2   4.200  11.315   1.921
   15    HZ3  TRP   2           HZ3      TRP   2   7.424   9.232   3.763
   16    HH2  TRP   2           HH2      TRP   2   6.619  10.841   2.065
   17    HA   PRO   3           HA       PRO   3   1.762   7.279   1.874
   18   1HB   PRO   3          2HB       PRO   3   4.033   7.201   0.524
   19   2HB   PRO   3          1HB       PRO   3   3.763   8.430   1.742
   20   1HG   PRO   3          2HG       PRO   3   5.419   5.902   1.843
   21   2HG   PRO   3          1HG       PRO   3   5.751   7.402   2.638
   22   1HD   PRO   3          2HD       PRO   3   4.442   5.094   3.681
   23   2HD   PRO   3          1HD       PRO   3   4.600   6.554   4.608
   24    H    VAL   4           H        VAL   4   2.952   4.159   2.596
   25    HA   VAL   4           HA       VAL   4   1.870   3.149   0.012
   26    HB   VAL   4           HB       VAL   4   4.256   1.826   1.272
   27   1HG1  VAL   4          3HG1      VAL   4   3.123   0.595  -0.548
   28   2HG1  VAL   4          2HG1      VAL   4   3.316   1.974  -1.618
   29   3HG1  VAL   4          1HG1      VAL   4   4.724   1.098  -1.042
   30   1HG2  VAL   4          1HG2      VAL   4   4.456   4.236  -0.556
   31   2HG2  VAL   4          3HG2      VAL   4   4.982   4.103   1.109
   32   3HG2  VAL   4          2HG2      VAL   4   5.793   3.171  -0.122
   33    H    CYS   5           H        CYS   5   1.324   0.930  -0.050
   34    HA   CYS   5           HA       CYS   5   0.086  -0.047   2.479
   35   1HB   CYS   5          2HB       CYS   5  -0.149  -0.718  -0.443
   36   2HB   CYS   5          1HB       CYS   5  -0.836  -1.772   0.755
   37    H    THR   6           H        THR   6   1.102  -1.468   3.632
   38    HA   THR   6           HA       THR   6   3.254  -3.186   2.526
   39    HB   THR   6           HB       THR   6   4.302  -1.399   3.860
   40    HG1  THR   6           HG1      THR   6   4.401  -3.046   5.919
   41   1HG2  THR   6          2HG2      THR   6   2.379  -2.265   6.105
   42   2HG2  THR   6          1HG2      THR   6   3.575  -0.983   6.214
   43   3HG2  THR   6          3HG2      THR   6   2.163  -0.775   5.198
   44    NH1  ARG   7           NH2      ARG   7   2.007 -12.582   5.271
   45    NH2  ARG   7           NH1      ARG   7   2.747 -12.135   7.385
   46    H    ARG   7           H        ARG   7   3.920  -4.926   3.949
   47    HA   ARG   7           HA       ARG   7   1.671  -6.270   5.367
   48   1HB   ARG   7          2HB       ARG   7   2.096  -7.173   2.943
   49   2HB   ARG   7          1HB       ARG   7   3.625  -7.773   3.543
   50   1HG   ARG   7          2HG       ARG   7   0.929  -8.466   4.821
   51   2HG   ARG   7          1HG       ARG   7   1.704  -9.478   3.622
   52   1HD   ARG   7          2HD       ARG   7   3.563  -9.949   5.143
   53   2HD   ARG   7          1HD       ARG   7   2.954  -8.806   6.325
   54    HE   ARG   7           HE       ARG   7   0.896 -10.270   6.467
   55   1HH1  ARG   7          1HH2      ARG   7   1.573 -12.261   4.429
   56   2HH1  ARG   7          2HH2      ARG   7   2.305 -13.533   5.352
   57   1HH2  ARG   7          2HH1      ARG   7   2.870 -11.480   8.131
   58   2HH2  ARG   7          1HH1      ARG   7   3.055 -13.081   7.496
   59    H    ASN   8           H        ASN   8   2.393  -6.286   7.339
   60    HA   ASN   8           HA       ASN   8   3.777  -6.322   9.212
   61   1HB   ASN   8          2HB       ASN   8   3.402  -8.720   8.354
   62   2HB   ASN   8          1HB       ASN   8   5.044  -8.616   7.757
   63   1HD2  ASN   8          2HD2      ASN   8   4.437  -9.802  11.460
   64   2HD2  ASN   8          1HD2      ASN   8   3.288  -9.811  10.211
   65    H    GLY   9           H        GLY   9   4.666  -4.580   7.229
   66   1HA   GLY   9          2HA       GLY   9   6.491  -3.030   7.358
   67   2HA   GLY   9          1HA       GLY   9   7.502  -4.316   7.964
   68    H    LEU  10           H        LEU  10   5.556  -4.712   5.082
   69    HA   LEU  10           HA       LEU  10   7.932  -4.433   3.328
   70   1HB   LEU  10          2HB       LEU  10   5.898  -6.694   3.392
   71   2HB   LEU  10          1HB       LEU  10   7.135  -6.487   2.187
   72    HG   LEU  10           HG       LEU  10   7.754  -6.788   5.177
   73   1HD1  LEU  10          3HD1      LEU  10   7.869  -8.921   3.005
   74   2HD1  LEU  10          2HD1      LEU  10   8.414  -9.105   4.665
   75   3HD1  LEU  10          1HD1      LEU  10   6.711  -8.865   4.325
   76   1HD2  LEU  10          1HD2      LEU  10   9.552  -7.009   2.714
   77   2HD2  LEU  10          3HD2      LEU  10   9.572  -5.673   3.852
   78   3HD2  LEU  10          2HD2      LEU  10  10.062  -7.268   4.375
   79    HA   PRO  11           HA       PRO  11   4.394  -1.871   1.532
   80   1HB   PRO  11          2HB       PRO  11   6.185  -0.097   0.415
   81   2HB   PRO  11          1HB       PRO  11   5.485   0.090   2.022
   82   1HG   PRO  11          2HG       PRO  11   8.149  -1.247   1.319
   83   2HG   PRO  11          1HG       PRO  11   7.870   0.059   2.479
   84   1HD   PRO  11          2HD       PRO  11   7.971  -2.422   3.423
   85   2HD   PRO  11          1HD       PRO  11   6.601  -1.433   3.966
   86    H    VAL  12           H        VAL  12   4.012  -3.774   0.389
   87    HA   VAL  12           HA       VAL  12   5.097  -3.715  -2.369
   88    HB   VAL  12           HB       VAL  12   6.550  -5.245  -0.927
   89   1HG1  VAL  12          1HG1      VAL  12   4.800  -6.279   0.505
   90   2HG1  VAL  12          3HG1      VAL  12   4.119  -7.090  -0.881
   91   3HG1  VAL  12          2HG1      VAL  12   5.732  -7.489  -0.338
   92   1HG2  VAL  12          2HG2      VAL  12   5.160  -6.535  -3.308
   93   2HG2  VAL  12          1HG2      VAL  12   6.558  -5.478  -3.352
   94   3HG2  VAL  12          3HG2      VAL  12   6.678  -7.063  -2.609
   95    H    CYS  13           H        CYS  13   2.528  -3.018  -1.417
   96    HA   CYS  13           HA       CYS  13   0.756  -5.252  -2.237
   97   1HB   CYS  13          2HB       CYS  13   0.243  -2.529  -1.182
   98   2HB   CYS  13          1HB       CYS  13  -1.026  -3.623  -1.620
   99    H    GLY  14           H        GLY  14   1.728  -2.013  -3.237
  100   1HA   GLY  14          2HA       GLY  14   2.018  -1.749  -5.718
  101   2HA   GLY  14          1HA       GLY  14   0.409  -2.434  -5.865
  102    H    GLU  15           H        GLU  15  -0.771  -1.076  -3.708
  103    HA   GLU  15           HA       GLU  15  -1.141   1.571  -4.920
  104   1HB   GLU  15          2HB       GLU  15  -3.117   0.207  -4.515
  105   2HB   GLU  15          1HB       GLU  15  -2.713   0.021  -2.819
  106   1HG   GLU  15          2HG       GLU  15  -3.110   2.467  -2.484
  107   2HG   GLU  15          1HG       GLU  15  -3.481   2.651  -4.188
  108    H    THR  16           H        THR  16  -1.579   3.325  -3.391
  109    HA   THR  16           HA       THR  16   0.377   3.345  -1.145
  110    HB   THR  16           HB       THR  16   0.653   5.836  -1.737
  111    HG1  THR  16           HG1      THR  16  -0.206   5.542  -4.245
  112   1HG2  THR  16          1HG2      THR  16   2.302   4.111  -2.646
  113   2HG2  THR  16          3HG2      THR  16   1.258   3.909  -4.046
  114   3HG2  THR  16          2HG2      THR  16   2.048   5.451  -3.752
  115    H    CYS  17           H        CYS  17   0.013   5.078   0.468
  116    HA   CYS  17           HA       CYS  17  -2.844   5.796   0.818
  117   1HB   CYS  17          2HB       CYS  17  -2.748   4.875   3.154
  118   2HB   CYS  17          1HB       CYS  17  -2.685   3.666   1.906
  119    H    VAL  18           H        VAL  18  -0.717   7.472   0.209
  120    HA   VAL  18           HA       VAL  18   0.689   8.836   2.118
  121    HB   VAL  18           HB       VAL  18  -0.793   9.980  -0.287
  122   1HG1  VAL  18          1HG1      VAL  18   1.658  11.006   1.203
  123   2HG1  VAL  18          3HG1      VAL  18   1.004  11.685  -0.280
  124   3HG1  VAL  18          2HG1      VAL  18   0.078  11.782   1.209
  125   1HG2  VAL  18          3HG2      VAL  18   2.031   8.845   0.022
  126   2HG2  VAL  18          2HG2      VAL  18   0.724   8.054  -0.837
  127   3HG2  VAL  18          1HG2      VAL  18   1.383   9.561  -1.442
  128    H    GLY  19           H        GLY  19  -2.725   8.994   1.795
  129   1HA   GLY  19          2HA       GLY  19  -2.878  11.305   3.637
  130   2HA   GLY  19          1HA       GLY  19  -4.214  10.652   2.731
  131    H    GLY  20           H        GLY  20  -2.551   8.153   4.259
  132   1HA   GLY  20          2HA       GLY  20  -2.769   7.066   6.300
  133   2HA   GLY  20          1HA       GLY  20  -3.904   8.299   6.813
  134    H    THR  21           H        THR  21  -3.784   6.239   3.969
  135    HA   THR  21           HA       THR  21  -6.383   4.958   4.661
  136    HB   THR  21           HB       THR  21  -6.878   5.137   2.151
  137    HG1  THR  21           HG1      THR  21  -5.168   5.517   1.016
  138   1HG2  THR  21          2HG2      THR  21  -7.555   7.075   3.697
  139   2HG2  THR  21          1HG2      THR  21  -6.018   7.835   3.324
  140   3HG2  THR  21          3HG2      THR  21  -7.201   7.580   2.053
  141    H    CYS  22           H        CYS  22  -6.026   3.597   2.034
  142    HA   CYS  22           HA       CYS  22  -4.616   1.958   0.966
  143   1HB   CYS  22          2HB       CYS  22  -2.966   1.817   2.921
  144   2HB   CYS  22          1HB       CYS  22  -4.180   0.914   3.780
  145    H    ASN  23           H        ASN  23  -6.008   0.792   3.975
  146    HA   ASN  23           HA       ASN  23  -7.428  -1.003   4.383
  147   1HB   ASN  23          2HB       ASN  23  -8.650   1.488   3.821
  148   2HB   ASN  23          1HB       ASN  23  -9.662   0.362   2.947
  149   1HD2  ASN  23          2HD2      ASN  23 -11.196  -0.813   5.884
  150   2HD2  ASN  23          1HD2      ASN  23 -11.216  -0.728   4.190
  151    H    THR  24           H        THR  24  -6.006  -1.892   2.529
  152    HA   THR  24           HA       THR  24  -7.789  -3.161   0.476
  153    HB   THR  24           HB       THR  24  -5.308  -3.734  -0.510
  154    HG1  THR  24           HG1      THR  24  -4.673  -1.244   0.383
  155   1HG2  THR  24          3HG2      THR  24  -6.494  -0.941  -0.749
  156   2HG2  THR  24          2HG2      THR  24  -5.370  -1.708  -1.857
  157   3HG2  THR  24          1HG2      THR  24  -7.011  -2.321  -1.705
  158    HA   PRO  25           HA       PRO  25  -7.316  -7.263   1.939
  159   1HB   PRO  25          2HB       PRO  25  -5.951  -7.878  -0.708
  160   2HB   PRO  25          1HB       PRO  25  -7.188  -8.814   0.142
  161   1HG   PRO  25          2HG       PRO  25  -8.049  -7.249  -1.813
  162   2HG   PRO  25          1HG       PRO  25  -8.880  -7.082  -0.261
  163   1HD   PRO  25          2HD       PRO  25  -6.584  -5.355  -1.334
  164   2HD   PRO  25          1HD       PRO  25  -8.156  -4.812  -0.698
  165    H    GLY  26           H        GLY  26  -5.986  -8.177   3.283
  166   1HA   GLY  26          2HA       GLY  26  -4.125  -8.283   4.708
  167   2HA   GLY  26          1HA       GLY  26  -3.442  -9.033   3.278
  168    H    CYS  27           H        CYS  27  -4.250  -5.609   3.469
  169    HA   CYS  27           HA       CYS  27  -1.354  -4.900   3.501
  170   1HB   CYS  27          2HB       CYS  27  -3.628  -3.905   1.832
  171   2HB   CYS  27          1HB       CYS  27  -2.134  -3.024   1.990
  172    H    THR  28           H        THR  28  -0.763  -3.455   4.776
  173    HA   THR  28           HA       THR  28  -2.648  -1.896   6.468
  174    HB   THR  28           HB       THR  28   0.015  -3.182   6.936
  175    HG1  THR  28           HG1      THR  28  -1.231  -4.569   7.869
  176   1HG2  THR  28          3HG2      THR  28  -1.371  -1.234   8.815
  177   2HG2  THR  28          2HG2      THR  28   0.000  -2.259   9.248
  178   3HG2  THR  28          1HG2      THR  28   0.196  -1.002   8.046
  179    H    CYS  29           H        CYS  29  -1.466   0.161   7.244
  180    HA   CYS  29           HA       CYS  29  -0.079   1.257   4.842
  181   1HB   CYS  29          2HB       CYS  29  -2.262   2.147   5.327
  182   2HB   CYS  29          1HB       CYS  29  -1.715   2.708   6.879
   
  Start of MODEL           7
 Raw file had  182 H/Q atoms
  Start of MODEL    7
    1    H    SER   1           H        SER   1   1.603   2.178   5.196
    2    HA   SER   1           HA       SER   1   2.884   2.990   7.801
    3   1HB   SER   1          2HB       SER   1   4.141   1.149   6.251
    4   2HB   SER   1          1HB       SER   1   4.237   2.419   5.030
    5    HG   SER   1           HG       SER   1   5.761   2.066   7.166
    6    CH2  TRP   2           CH2      TRP   2   5.737  10.613   3.296
    7    H    TRP   2           H        TRP   2   2.277   5.211   7.700
    8    HA   TRP   2           HA       TRP   2   0.837   6.789   6.475
    9   1HB   TRP   2          2HB       TRP   2   2.414   8.145   7.494
   10   2HB   TRP   2          1HB       TRP   2   3.801   7.374   6.757
   11    HD1  TRP   2           HD1      TRP   2   0.621   9.163   5.203
   12    HE1  TRP   2           HE1      TRP   2   1.494  10.676   3.476
   13    HE3  TRP   2           HE3      TRP   2   5.531   8.387   5.822
   14    HZ2  TRP   2           HZ2      TRP   2   4.052  11.503   2.342
   15    HZ3  TRP   2           HZ3      TRP   2   7.197   9.523   4.430
   16    HH2  TRP   2           HH2      TRP   2   6.462  11.118   2.677
   17    HA   PRO   3           HA       PRO   3   1.722   7.355   2.117
   18   1HB   PRO   3          2HB       PRO   3   4.090   7.529   0.922
   19   2HB   PRO   3          1HB       PRO   3   3.667   8.641   2.197
   20   1HG   PRO   3          2HG       PRO   3   5.418   6.177   2.246
   21   2HG   PRO   3          1HG       PRO   3   5.678   7.650   3.123
   22   1HD   PRO   3          2HD       PRO   3   4.408   5.264   3.998
   23   2HD   PRO   3          1HD       PRO   3   4.437   6.659   5.025
   24    H    VAL   4           H        VAL   4   2.689   4.328   2.993
   25    HA   VAL   4           HA       VAL   4   2.091   3.275   0.302
   26    HB   VAL   4           HB       VAL   4   4.238   1.887   1.808
   27   1HG1  VAL   4          2HG1      VAL   4   3.761   2.362  -1.154
   28   2HG1  VAL   4          1HG1      VAL   4   5.069   1.406  -0.478
   29   3HG1  VAL   4          3HG1      VAL   4   3.406   0.890  -0.264
   30   1HG2  VAL   4          1HG2      VAL   4   4.804   4.461   0.311
   31   2HG2  VAL   4          3HG2      VAL   4   5.026   4.143   2.023
   32   3HG2  VAL   4          2HG2      VAL   4   6.021   3.311   0.854
   33    H    CYS   5           H        CYS   5   1.494   1.134   0.140
   34    HA   CYS   5           HA       CYS   5   0.075   0.048   2.530
   35   1HB   CYS   5          2HB       CYS   5   0.031  -0.589  -0.433
   36   2HB   CYS   5          1HB       CYS   5  -0.830  -1.539   0.729
   37    H    THR   6           H        THR   6   1.072  -1.487   3.624
   38    HA   THR   6           HA       THR   6   3.175  -3.157   2.340
   39    HB   THR   6           HB       THR   6   4.480  -1.611   3.600
   40    HG1  THR   6           HG1      THR   6   4.428  -3.030   5.793
   41   1HG2  THR   6          3HG2      THR   6   2.461  -1.946   5.898
   42   2HG2  THR   6          2HG2      THR   6   3.873  -0.908   5.931
   43   3HG2  THR   6          1HG2      THR   6   2.524  -0.518   4.879
   44    NH1  ARG   7           NH2      ARG   7  -0.706  -9.519   6.338
   45    NH2  ARG   7           NH1      ARG   7  -0.399 -11.739   5.974
   46    H    ARG   7           H        ARG   7   3.833  -4.988   3.505
   47    HA   ARG   7           HA       ARG   7   1.601  -6.429   4.837
   48   1HB   ARG   7          2HB       ARG   7   2.284  -7.241   2.485
   49   2HB   ARG   7          1HB       ARG   7   3.874  -7.594   3.124
   50   1HG   ARG   7          2HG       ARG   7   2.606  -9.669   3.126
   51   2HG   ARG   7          1HG       ARG   7   2.806  -9.179   4.797
   52   1HD   ARG   7          2HD       ARG   7   0.532  -8.182   4.795
   53   2HD   ARG   7          1HD       ARG   7   0.320  -8.641   3.110
   54    HE   ARG   7           HE       ARG   7   0.492 -11.023   3.843
   55   1HH1  ARG   7          1HH2      ARG   7  -0.607  -8.569   6.047
   56   2HH1  ARG   7          2HH2      ARG   7  -1.153  -9.724   7.210
   57   1HH2  ARG   7          2HH1      ARG   7  -0.060 -12.482   5.398
   58   2HH2  ARG   7          1HH1      ARG   7  -0.849 -11.949   6.843
   59    H    ASN   8           H        ASN   8   2.222  -5.843   6.839
   60    HA   ASN   8           HA       ASN   8   3.396  -5.804   8.848
   61   1HB   ASN   8          2HB       ASN   8   3.007  -8.307   8.264
   62   2HB   ASN   8          1HB       ASN   8   4.698  -8.307   7.831
   63   1HD2  ASN   8          2HD2      ASN   8   3.789  -8.930  11.614
   64   2HD2  ASN   8          1HD2      ASN   8   2.730  -9.147  10.308
   65    H    GLY   9           H        GLY   9   4.527  -4.237   6.898
   66   1HA   GLY   9          2HA       GLY   9   6.457  -2.822   7.108
   67   2HA   GLY   9          1HA       GLY   9   7.353  -4.177   7.739
   68    H    LEU  10           H        LEU  10   5.574  -4.923   4.880
   69    HA   LEU  10           HA       LEU  10   7.976  -4.555   3.194
   70   1HB   LEU  10          2HB       LEU  10   7.769  -6.869   3.752
   71   2HB   LEU  10          1HB       LEU  10   6.028  -6.825   3.588
   72    HG   LEU  10           HG       LEU  10   6.120  -6.546   1.301
   73   1HD1  LEU  10          2HD1      LEU  10   9.177  -6.593   1.533
   74   2HD1  LEU  10          1HD1      LEU  10   8.313  -6.633   0.001
   75   3HD1  LEU  10          3HD1      LEU  10   8.224  -5.209   1.018
   76   1HD2  LEU  10          2HD2      LEU  10   6.226  -8.862   2.130
   77   2HD2  LEU  10          1HD2      LEU  10   7.155  -8.763   0.645
   78   3HD2  LEU  10          3HD2      LEU  10   7.979  -8.792   2.196
   79    HA   PRO  11           HA       PRO  11   4.503  -2.017   1.266
   80   1HB   PRO  11          2HB       PRO  11   6.291  -0.555  -0.248
   81   2HB   PRO  11          1HB       PRO  11   5.786  -0.094   1.380
   82   1HG   PRO  11          2HG       PRO  11   8.290  -1.653   0.591
   83   2HG   PRO  11          1HG       PRO  11   8.160  -0.252   1.654
   84   1HD   PRO  11          2HD       PRO  11   8.269  -2.678   2.749
   85   2HD   PRO  11          1HD       PRO  11   7.065  -1.548   3.411
   86    H    VAL  12           H        VAL  12   3.713  -3.794   0.292
   87    HA   VAL  12           HA       VAL  12   4.846  -4.394  -2.401
   88    HB   VAL  12           HB       VAL  12   5.730  -6.010  -0.656
   89   1HG1  VAL  12          1HG1      VAL  12   2.858  -7.084  -0.611
   90   2HG1  VAL  12          3HG1      VAL  12   4.256  -7.894   0.053
   91   3HG1  VAL  12          2HG1      VAL  12   3.720  -6.371   0.735
   92   1HG2  VAL  12          2HG2      VAL  12   5.831  -6.555  -3.027
   93   2HG2  VAL  12          1HG2      VAL  12   5.501  -8.005  -2.095
   94   3HG2  VAL  12          3HG2      VAL  12   4.209  -7.231  -2.993
   95    H    CYS  13           H        CYS  13   2.491  -2.932  -1.709
   96    HA   CYS  13           HA       CYS  13   0.311  -4.806  -2.597
   97   1HB   CYS  13          2HB       CYS  13   0.346  -2.849  -0.680
   98   2HB   CYS  13          1HB       CYS  13  -0.399  -2.051  -2.033
   99    H    GLY  14           H        GLY  14   2.337  -2.197  -3.532
  100   1HA   GLY  14          2HA       GLY  14   2.821  -1.534  -5.747
  101   2HA   GLY  14          1HA       GLY  14   1.328  -2.301  -6.285
  102    H    GLU  15           H        GLU  15   0.455  -0.752  -3.595
  103    HA   GLU  15           HA       GLU  15  -0.186   1.785  -4.966
  104   1HB   GLU  15          2HB       GLU  15  -2.091   0.222  -4.698
  105   2HB   GLU  15          1HB       GLU  15  -1.860   0.231  -2.963
  106   1HG   GLU  15          2HG       GLU  15  -2.450   2.614  -2.868
  107   2HG   GLU  15          1HG       GLU  15  -2.469   2.724  -4.622
  108    H    THR  16           H        THR  16  -0.806   3.484  -3.513
  109    HA   THR  16           HA       THR  16   0.918   3.582  -1.086
  110    HB   THR  16           HB       THR  16   1.296   6.015  -1.638
  111    HG1  THR  16           HG1      THR  16  -0.787   5.506  -3.185
  112   1HG2  THR  16          3HG2      THR  16   2.874   4.276  -2.646
  113   2HG2  THR  16          2HG2      THR  16   1.828   4.201  -4.060
  114   3HG2  THR  16          1HG2      THR  16   2.672   5.694  -3.670
  115    H    CYS  17           H        CYS  17   0.320   5.237   0.521
  116    HA   CYS  17           HA       CYS  17  -2.575   5.910   0.569
  117   1HB   CYS  17          2HB       CYS  17  -2.698   4.898   2.891
  118   2HB   CYS  17          1HB       CYS  17  -2.594   3.765   1.580
  119    H    VAL  18           H        VAL  18  -0.486   7.663   0.270
  120    HA   VAL  18           HA       VAL  18   0.696   9.006   2.343
  121    HB   VAL  18           HB       VAL  18  -0.699  10.215  -0.083
  122   1HG1  VAL  18          2HG1      VAL  18   1.594  11.269   1.615
  123   2HG1  VAL  18          1HG1      VAL  18   0.954  12.017   0.157
  124   3HG1  VAL  18          3HG1      VAL  18  -0.043  11.920   1.604
  125   1HG2  VAL  18          2HG2      VAL  18   2.171   9.215   0.297
  126   2HG2  VAL  18          1HG2      VAL  18   0.944   8.426  -0.679
  127   3HG2  VAL  18          3HG2      VAL  18   1.550  10.006  -1.139
  128    H    GLY  19           H        GLY  19  -2.606   9.352   1.335
  129   1HA   GLY  19          2HA       GLY  19  -3.410  11.460   3.044
  130   2HA   GLY  19          1HA       GLY  19  -4.499  10.234   2.399
  131    H    GLY  20           H        GLY  20  -3.182   8.088   3.541
  132   1HA   GLY  20          2HA       GLY  20  -2.572   7.152   5.733
  133   2HA   GLY  20          1HA       GLY  20  -3.719   8.281   6.446
  134    H    THR  21           H        THR  21  -3.978   6.171   3.631
  135    HA   THR  21           HA       THR  21  -6.221   4.677   4.900
  136    HB   THR  21           HB       THR  21  -7.368   4.857   2.603
  137    HG1  THR  21           HG1      THR  21  -5.978   6.931   1.745
  138   1HG2  THR  21          2HG2      THR  21  -7.849   6.590   4.454
  139   2HG2  THR  21          1HG2      THR  21  -6.571   7.589   3.788
  140   3HG2  THR  21          3HG2      THR  21  -7.999   7.253   2.833
  141    H    CYS  22           H        CYS  22  -6.486   3.391   2.198
  142    HA   CYS  22           HA       CYS  22  -5.140   1.935   0.746
  143   1HB   CYS  22          2HB       CYS  22  -3.237   1.767   2.425
  144   2HB   CYS  22          1HB       CYS  22  -4.237   0.702   3.370
  145    H    ASN  23           H        ASN  23  -6.139   0.667   3.901
  146    HA   ASN  23           HA       ASN  23  -7.527  -1.078   4.507
  147   1HB   ASN  23          2HB       ASN  23  -9.359   0.667   2.797
  148   2HB   ASN  23          1HB       ASN  23  -9.911  -0.545   3.944
  149   1HD2  ASN  23          2HD2      ASN  23  -9.767   1.682   6.617
  150   2HD2  ASN  23          1HD2      ASN  23 -10.457   0.306   5.902
  151    H    THR  24           H        THR  24  -6.086  -2.213   2.843
  152    HA   THR  24           HA       THR  24  -7.881  -3.701   0.942
  153    HB   THR  24           HB       THR  24  -4.880  -3.082   0.708
  154    HG1  THR  24           HG1      THR  24  -6.577  -2.561  -1.328
  155   1HG2  THR  24          2HG2      THR  24  -5.440  -5.437  -0.222
  156   2HG2  THR  24          1HG2      THR  24  -6.652  -4.675  -1.248
  157   3HG2  THR  24          3HG2      THR  24  -4.961  -4.289  -1.457
  158    HA   PRO  25           HA       PRO  25  -7.449  -7.144   3.624
  159   1HB   PRO  25          2HB       PRO  25  -7.947  -9.215   1.890
  160   2HB   PRO  25          1HB       PRO  25  -9.203  -8.098   2.435
  161   1HG   PRO  25          2HG       PRO  25  -7.498  -7.901  -0.107
  162   2HG   PRO  25          1HG       PRO  25  -9.258  -7.882   0.016
  163   1HD   PRO  25          2HD       PRO  25  -7.995  -5.555  -0.099
  164   2HD   PRO  25          1HD       PRO  25  -9.273  -5.713   1.122
  165    H    GLY  26           H        GLY  26  -5.279  -6.978   4.211
  166   1HA   GLY  26          2HA       GLY  26  -3.470  -8.751   4.366
  167   2HA   GLY  26          1HA       GLY  26  -3.341  -8.563   2.625
  168    H    CYS  27           H        CYS  27  -3.663  -5.735   2.535
  169    HA   CYS  27           HA       CYS  27  -0.976  -4.925   3.502
  170   1HB   CYS  27          2HB       CYS  27  -2.746  -3.431   1.601
  171   2HB   CYS  27          1HB       CYS  27  -1.051  -3.227   1.925
  172    H    THR  28           H        THR  28  -0.686  -3.387   4.827
  173    HA   THR  28           HA       THR  28  -2.947  -1.839   6.025
  174    HB   THR  28           HB       THR  28  -1.809  -3.538   7.578
  175    HG1  THR  28           HG1      THR  28  -2.336  -2.079   8.974
  176   1HG2  THR  28          2HG2      THR  28   0.583  -1.641   7.341
  177   2HG2  THR  28          1HG2      THR  28   0.449  -2.990   8.451
  178   3HG2  THR  28          3HG2      THR  28   0.574  -3.288   6.725
  179    H    CYS  29           H        CYS  29  -1.736   0.186   7.151
  180    HA   CYS  29           HA       CYS  29   0.011   1.231   4.955
  181   1HB   CYS  29          2HB       CYS  29  -2.225   2.090   5.017
  182   2HB   CYS  29          1HB       CYS  29  -1.942   2.770   6.595
   
  Start of MODEL           8
 Raw file had  182 H/Q atoms
  Start of MODEL    8
    1    H    SER   1           H        SER   1   1.210   1.784   5.136
    2    HA   SER   1           HA       SER   1   2.200   2.272   7.933
    3   1HB   SER   1          2HB       SER   1   3.496   0.559   6.253
    4   2HB   SER   1          1HB       SER   1   3.818   1.989   5.268
    5    HG   SER   1           HG       SER   1   5.030   1.210   7.500
    6    CH2  TRP   2           CH2      TRP   2   6.282   9.916   4.513
    7    H    TRP   2           H        TRP   2   1.897   4.592   8.076
    8    HA   TRP   2           HA       TRP   2   0.705   6.425   6.901
    9   1HB   TRP   2          2HB       TRP   2   2.283   7.559   8.163
   10   2HB   TRP   2          1HB       TRP   2   3.658   6.690   7.510
   11    HD1  TRP   2           HD1      TRP   2   0.855   8.928   5.763
   12    HE1  TRP   2           HE1      TRP   2   2.117  10.461   4.258
   13    HE3  TRP   2           HE3      TRP   2   5.585   7.571   6.829
   14    HZ2  TRP   2           HZ2      TRP   2   4.806  11.047   3.473
   15    HZ3  TRP   2           HZ3      TRP   2   7.493   8.602   5.688
   16    HH2  TRP   2           HH2      TRP   2   7.120  10.374   4.009
   17    HA   PRO   3           HA       PRO   3   2.083   7.132   2.669
   18   1HB   PRO   3          2HB       PRO   3   4.555   7.132   1.746
   19   2HB   PRO   3          1HB       PRO   3   4.085   8.229   3.020
   20   1HG   PRO   3          2HG       PRO   3   5.646   5.633   3.137
   21   2HG   PRO   3          1HG       PRO   3   5.889   7.036   4.119
   22   1HD   PRO   3          2HD       PRO   3   4.338   4.710   4.683
   23   2HD   PRO   3          1HD       PRO   3   4.394   6.051   5.797
   24    H    VAL   4           H        VAL   4   2.949   3.927   3.387
   25    HA   VAL   4           HA       VAL   4   2.482   3.165   0.550
   26    HB   VAL   4           HB       VAL   4   4.400   1.618   2.256
   27   1HG1  VAL   4          3HG1      VAL   4   4.189   1.935  -0.758
   28   2HG1  VAL   4          2HG1      VAL   4   5.401   0.985   0.080
   29   3HG1  VAL   4          1HG1      VAL   4   3.716   0.524   0.173
   30   1HG2  VAL   4          3HG2      VAL   4   5.177   4.090   0.710
   31   2HG2  VAL   4          2HG2      VAL   4   5.272   3.806   2.439
   32   3HG2  VAL   4          1HG2      VAL   4   6.303   2.903   1.362
   33    H    CYS   5           H        CYS   5   1.769   1.128   0.137
   34    HA   CYS   5           HA       CYS   5  -0.036  -0.021   2.201
   35   1HB   CYS   5          2HB       CYS   5   0.197  -0.178  -0.804
   36   2HB   CYS   5          1HB       CYS   5  -0.209  -1.649   0.024
   37    H    THR   6           H        THR   6   1.279  -1.266   3.499
   38    HA   THR   6           HA       THR   6   3.091  -3.281   2.239
   39    HB   THR   6           HB       THR   6   4.893  -2.822   3.877
   40    HG1  THR   6           HG1      THR   6   2.735  -1.992   5.281
   41   1HG2  THR   6          2HG2      THR   6   4.721  -0.872   2.221
   42   2HG2  THR   6          1HG2      THR   6   3.689  -0.071   3.406
   43   3HG2  THR   6          3HG2      THR   6   5.357  -0.455   3.805
   44    NH1  ARG   7           NH1      ARG   7  -0.340  -6.795   5.317
   45    NH2  ARG   7           NH2      ARG   7  -1.084  -8.294   6.859
   46    H    ARG   7           H        ARG   7   4.016  -4.583   4.258
   47    HA   ARG   7           HA       ARG   7   1.767  -5.504   5.974
   48   1HB   ARG   7          2HB       ARG   7   1.931  -7.080   4.011
   49   2HB   ARG   7          1HB       ARG   7   3.640  -7.289   4.297
   50   1HG   ARG   7          2HG       ARG   7   3.337  -8.610   6.174
   51   2HG   ARG   7          1HG       ARG   7   1.876  -7.801   6.681
   52   1HD   ARG   7          2HD       ARG   7   1.936  -9.549   4.181
   53   2HD   ARG   7          1HD       ARG   7   1.678 -10.241   5.769
   54    HE   ARG   7           HE       ARG   7  -0.468  -9.550   4.509
   55   1HH1  ARG   7          2HH1      ARG   7   0.158  -6.608   4.471
   56   2HH1  ARG   7          1HH1      ARG   7  -0.760  -6.043   5.825
   57   1HH2  ARG   7          1HH2      ARG   7  -1.150  -9.240   7.178
   58   2HH2  ARG   7          2HH2      ARG   7  -1.513  -7.559   7.386
   59    H    ASN   8           H        ASN   8   2.781  -4.167   7.362
   60    HA   ASN   8           HA       ASN   8   4.184  -3.536   9.087
   61   1HB   ASN   8          2HB       ASN   8   4.917  -6.456   8.934
   62   2HB   ASN   8          1HB       ASN   8   5.310  -5.423  10.293
   63   1HD2  ASN   8          2HD2      ASN   8   2.239  -6.128  11.811
   64   2HD2  ASN   8          1HD2      ASN   8   3.902  -5.820  11.969
   65    H    GLY   9           H        GLY   9   5.139  -2.932   6.564
   66   1HA   GLY   9          2HA       GLY   9   7.231  -1.796   6.140
   67   2HA   GLY   9          1HA       GLY   9   8.059  -3.075   7.005
   68    H    LEU  10           H        LEU  10   5.739  -4.497   5.088
   69    HA   LEU  10           HA       LEU  10   7.693  -5.022   2.896
   70   1HB   LEU  10          2HB       LEU  10   5.566  -6.734   4.162
   71   2HB   LEU  10          1HB       LEU  10   6.454  -7.197   2.729
   72    HG   LEU  10           HG       LEU  10   7.775  -6.480   5.399
   73   1HD1  LEU  10          3HD1      LEU  10   7.205  -9.237   4.226
   74   2HD1  LEU  10          2HD1      LEU  10   8.122  -8.915   5.690
   75   3HD1  LEU  10          1HD1      LEU  10   6.412  -8.539   5.634
   76   1HD2  LEU  10          2HD2      LEU  10   8.888  -7.869   2.919
   77   2HD2  LEU  10          1HD2      LEU  10   9.270  -6.224   3.404
   78   3HD2  LEU  10          3HD2      LEU  10   9.774  -7.561   4.406
   79    HA   PRO  11           HA       PRO  11   4.382  -2.711   0.472
   80   1HB   PRO  11          2HB       PRO  11   6.256  -2.663  -1.629
   81   2HB   PRO  11          1HB       PRO  11   5.927  -1.340  -0.515
   82   1HG   PRO  11          2HG       PRO  11   8.108  -3.467  -0.297
   83   2HG   PRO  11          1HG       PRO  11   8.233  -1.726  -0.021
   84   1HD   PRO  11          2HD       PRO  11   8.024  -3.281   2.087
   85   2HD   PRO  11          1HD       PRO  11   6.955  -1.861   2.059
   86    H    VAL  12           H        VAL  12   2.915  -4.057  -0.127
   87    HA   VAL  12           HA       VAL  12   3.693  -6.462  -1.732
   88    HB   VAL  12           HB       VAL  12   3.159  -7.024   0.607
   89   1HG1  VAL  12          2HG1      VAL  12   1.584  -5.210   1.128
   90   2HG1  VAL  12          1HG1      VAL  12   0.398  -5.900   0.030
   91   3HG1  VAL  12          3HG1      VAL  12   0.869  -6.773   1.479
   92   1HG2  VAL  12          3HG2      VAL  12   2.682  -8.712  -1.117
   93   2HG2  VAL  12          2HG2      VAL  12   1.523  -8.823   0.192
   94   3HG2  VAL  12          1HG2      VAL  12   1.059  -8.078  -1.327
   95    H    CYS  13           H        CYS  13   1.528  -3.800  -1.552
   96    HA   CYS  13           HA       CYS  13  -0.259  -4.998  -3.624
   97   1HB   CYS  13          2HB       CYS  13  -0.523  -2.929  -1.648
   98   2HB   CYS  13          1HB       CYS  13  -1.129  -2.405  -3.202
   99    H    GLY  14           H        GLY  14   1.690  -2.077  -3.181
  100   1HA   GLY  14          2HA       GLY  14   3.235  -1.433  -5.009
  101   2HA   GLY  14          1HA       GLY  14   1.959  -1.865  -6.128
  102    H    GLU  15           H        GLU  15   0.581  -0.382  -3.508
  103    HA   GLU  15           HA       GLU  15   0.648   2.257  -4.846
  104   1HB   GLU  15          2HB       GLU  15  -1.596   0.611  -3.811
  105   2HB   GLU  15          1HB       GLU  15  -1.697   2.297  -3.360
  106   1HG   GLU  15          2HG       GLU  15  -2.800   1.925  -5.507
  107   2HG   GLU  15          1HG       GLU  15  -1.443   3.000  -5.690
  108    H    THR  16           H        THR  16  -0.327   3.889  -3.362
  109    HA   THR  16           HA       THR  16   1.188   3.770  -0.778
  110    HB   THR  16           HB       THR  16   1.795   6.180  -1.146
  111    HG1  THR  16           HG1      THR  16   1.001   6.369  -3.686
  112   1HG2  THR  16          2HG2      THR  16   3.267   4.421  -2.315
  113   2HG2  THR  16          1HG2      THR  16   2.249   4.585  -3.735
  114   3HG2  THR  16          3HG2      THR  16   3.208   5.944  -3.185
  115    H    CYS  17           H        CYS  17   0.546   5.281   0.847
  116    HA   CYS  17           HA       CYS  17  -2.300   6.131   0.754
  117   1HB   CYS  17          2HB       CYS  17  -2.769   4.933   2.863
  118   2HB   CYS  17          1HB       CYS  17  -2.256   3.835   1.647
  119    H    VAL  18           H        VAL  18  -0.009   7.712   0.651
  120    HA   VAL  18           HA       VAL  18   1.113   8.794   2.924
  121    HB   VAL  18           HB       VAL  18   0.138  10.276   0.434
  122   1HG1  VAL  18          1HG1      VAL  18   2.308  10.991   2.450
  123   2HG1  VAL  18          3HG1      VAL  18   1.960  11.887   0.984
  124   3HG1  VAL  18          2HG1      VAL  18   0.779  11.839   2.274
  125   1HG2  VAL  18          3HG2      VAL  18   1.688   8.307  -0.028
  126   2HG2  VAL  18          2HG2      VAL  18   2.453   9.835  -0.407
  127   3HG2  VAL  18          1HG2      VAL  18   2.855   9.003   1.080
  128    H    GLY  19           H        GLY  19  -2.153   9.138   1.919
  129   1HA   GLY  19          2HA       GLY  19  -2.673  11.055   4.126
  130   2HA   GLY  19          1HA       GLY  19  -3.714  10.866   2.728
  131    H    GLY  20           H        GLY  20  -2.321   8.202   4.485
  132   1HA   GLY  20          2HA       GLY  20  -3.160   6.417   5.592
  133   2HA   GLY  20          1HA       GLY  20  -4.145   7.591   6.435
  134    H    THR  21           H        THR  21  -3.916   6.022   3.344
  135    HA   THR  21           HA       THR  21  -6.889   5.681   3.179
  136    HB   THR  21           HB       THR  21  -4.805   5.586   0.927
  137    HG1  THR  21           HG1      THR  21  -5.050   7.647   1.158
  138   1HG2  THR  21          2HG2      THR  21  -7.876   5.826   0.868
  139   2HG2  THR  21          1HG2      THR  21  -6.811   5.781  -0.529
  140   3HG2  THR  21          3HG2      THR  21  -7.031   4.343   0.451
  141    H    CYS  22           H        CYS  22  -4.543   3.670   1.436
  142    HA   CYS  22           HA       CYS  22  -5.355   1.344   1.016
  143   1HB   CYS  22          2HB       CYS  22  -3.026   1.814   2.868
  144   2HB   CYS  22          1HB       CYS  22  -3.429   0.237   2.244
  145    H    ASN  23           H        ASN  23  -7.191   0.496   1.731
  146    HA   ASN  23           HA       ASN  23  -7.272  -0.675   4.482
  147   1HB   ASN  23          2HB       ASN  23  -9.698  -0.237   4.543
  148   2HB   ASN  23          1HB       ASN  23  -8.847   1.270   4.280
  149   1HD2  ASN  23          2HD2      ASN  23 -10.048   0.632   0.601
  150   2HD2  ASN  23          1HD2      ASN  23  -8.542   0.175   1.239
  151    H    THR  24           H        THR  24  -6.160  -2.117   2.581
  152    HA   THR  24           HA       THR  24  -8.266  -3.984   1.560
  153    HB   THR  24           HB       THR  24  -5.411  -3.481   0.629
  154    HG1  THR  24           HG1      THR  24  -7.423  -3.168  -1.111
  155   1HG2  THR  24          3HG2      THR  24  -6.148  -5.906   0.181
  156   2HG2  THR  24          2HG2      THR  24  -7.559  -5.264  -0.649
  157   3HG2  THR  24          1HG2      THR  24  -5.949  -4.957  -1.278
  158    HA   PRO  25           HA       PRO  25  -6.670  -7.136   4.384
  159   1HB   PRO  25          2HB       PRO  25  -7.759  -9.356   3.196
  160   2HB   PRO  25          1HB       PRO  25  -8.737  -8.220   4.134
  161   1HG   PRO  25          2HG       PRO  25  -8.307  -8.281   1.097
  162   2HG   PRO  25          1HG       PRO  25  -9.834  -8.217   1.988
  163   1HD   PRO  25          2HD       PRO  25  -8.740  -5.937   1.043
  164   2HD   PRO  25          1HD       PRO  25  -9.505  -5.922   2.649
  165    H    GLY  26           H        GLY  26  -4.529  -7.106   4.099
  166   1HA   GLY  26          2HA       GLY  26  -2.755  -8.746   3.353
  167   2HA   GLY  26          1HA       GLY  26  -3.346  -8.429   1.722
  168    H    CYS  27           H        CYS  27  -3.837  -5.627   2.167
  169    HA   CYS  27           HA       CYS  27  -1.043  -4.584   2.305
  170   1HB   CYS  27          2HB       CYS  27  -3.386  -3.528   0.703
  171   2HB   CYS  27          1HB       CYS  27  -1.719  -3.042   0.637
  172    H    THR  28           H        THR  28  -0.776  -3.492   4.064
  173    HA   THR  28           HA       THR  28  -2.993  -2.139   5.479
  174    HB   THR  28           HB       THR  28  -0.318  -3.180   6.308
  175    HG1  THR  28           HG1      THR  28  -2.789  -4.158   6.212
  176   1HG2  THR  28          1HG2      THR  28  -2.308  -1.677   8.039
  177   2HG2  THR  28          3HG2      THR  28  -0.888  -2.540   8.631
  178   3HG2  THR  28          2HG2      THR  28  -0.690  -1.140   7.605
  179    H    CYS  29           H        CYS  29  -2.364  -0.105   6.492
  180    HA   CYS  29           HA       CYS  29  -0.601   1.377   4.608
  181   1HB   CYS  29          2HB       CYS  29  -2.908   2.165   4.856
  182   2HB   CYS  29          1HB       CYS  29  -2.623   2.440   6.550
   
  Start of MODEL           9
 Raw file had  182 H/Q atoms
  Start of MODEL    9
    1    H    SER   1           H        SER   1   1.626   2.072   4.864
    2    HA   SER   1           HA       SER   1   3.030   2.823   7.385
    3   1HB   SER   1          2HB       SER   1   4.274   1.152   5.682
    4   2HB   SER   1          1HB       SER   1   4.136   2.436   4.475
    5    HG   SER   1           HG       SER   1   5.006   3.462   6.801
    6    CH2  TRP   2           CH2      TRP   2   5.954  10.425   3.031
    7    H    TRP   2           H        TRP   2   2.611   5.112   7.465
    8    HA   TRP   2           HA       TRP   2   1.017   6.748   6.429
    9   1HB   TRP   2          2HB       TRP   2   2.621   8.126   7.375
   10   2HB   TRP   2          1HB       TRP   2   3.983   7.318   6.627
   11    HD1  TRP   2           HD1      TRP   2   0.842   9.236   5.137
   12    HE1  TRP   2           HE1      TRP   2   1.762  10.719   3.360
   13    HE3  TRP   2           HE3      TRP   2   5.751   8.224   5.583
   14    HZ2  TRP   2           HZ2      TRP   2   4.272  11.389   2.145
   15    HZ3  TRP   2           HZ3      TRP   2   7.401   9.276   4.101
   16    HH2  TRP   2           HH2      TRP   2   6.678  10.893   2.380
   17    HA   PRO   3           HA       PRO   3   1.791   7.328   2.009
   18   1HB   PRO   3          2HB       PRO   3   4.091   7.272   0.742
   19   2HB   PRO   3          1HB       PRO   3   3.785   8.484   1.974
   20   1HG   PRO   3          2HG       PRO   3   5.429   5.949   2.095
   21   2HG   PRO   3          1HG       PRO   3   5.758   7.447   2.902
   22   1HD   PRO   3          2HD       PRO   3   4.407   5.156   3.919
   23   2HD   PRO   3          1HD       PRO   3   4.544   6.622   4.843
   24    H    VAL   4           H        VAL   4   3.152   4.208   2.726
   25    HA   VAL   4           HA       VAL   4   2.079   3.222   0.116
   26    HB   VAL   4           HB       VAL   4   4.406   1.836   1.360
   27   1HG1  VAL   4          3HG1      VAL   4   3.559   2.259  -1.529
   28   2HG1  VAL   4          2HG1      VAL   4   4.974   1.362  -1.014
   29   3HG1  VAL   4          1HG1      VAL   4   3.376   0.782  -0.594
   30   1HG2  VAL   4          1HG2      VAL   4   4.719   4.397  -0.234
   31   2HG2  VAL   4          3HG2      VAL   4   5.170   4.099   1.440
   32   3HG2  VAL   4          2HG2      VAL   4   6.022   3.276   0.158
   33    H    CYS   5           H        CYS   5   1.592   0.995  -0.006
   34    HA   CYS   5           HA       CYS   5   0.321  -0.122   2.466
   35   1HB   CYS   5          2HB       CYS   5   0.085  -0.706  -0.466
   36   2HB   CYS   5          1HB       CYS   5  -0.710  -1.655   0.753
   37    H    THR   6           H        THR   6   1.349  -1.589   3.533
   38    HA   THR   6           HA       THR   6   3.392  -3.311   2.229
   39    HB   THR   6           HB       THR   6   4.778  -1.952   3.654
   40    HG1  THR   6           HG1      THR   6   4.426  -3.319   5.819
   41   1HG2  THR   6          3HG2      THR   6   2.550  -2.103   5.784
   42   2HG2  THR   6          2HG2      THR   6   4.030  -1.168   5.912
   43   3HG2  THR   6          1HG2      THR   6   2.791  -0.695   4.763
   44    NH1  ARG   7           NH2      ARG   7   0.368  -9.897   6.522
   45    NH2  ARG   7           NH1      ARG   7  -1.333 -10.937   5.408
   46    H    ARG   7           H        ARG   7   3.981  -5.177   3.365
   47    HA   ARG   7           HA       ARG   7   1.696  -6.646   4.594
   48   1HB   ARG   7          2HB       ARG   7   2.583  -7.492   2.282
   49   2HB   ARG   7          1HB       ARG   7   4.125  -7.780   3.061
   50   1HG   ARG   7          2HG       ARG   7   2.925  -9.887   3.045
   51   2HG   ARG   7          1HG       ARG   7   2.920  -9.321   4.699
   52   1HD   ARG   7          2HD       ARG   7   0.606  -8.331   4.282
   53   2HD   ARG   7          1HD       ARG   7   0.635  -9.120   2.709
   54    HE   ARG   7           HE       ARG   7   0.842 -11.296   3.940
   55   1HH1  ARG   7          1HH2      ARG   7   1.289  -9.511   6.509
   56   2HH1  ARG   7          2HH2      ARG   7  -0.169  -9.879   7.365
   57   1HH2  ARG   7          2HH1      ARG   7  -1.688 -11.331   4.560
   58   2HH2  ARG   7          1HH1      ARG   7  -1.900 -10.936   6.232
   59    H    ASN   8           H        ASN   8   2.113  -6.329   6.607
   60    HA   ASN   8           HA       ASN   8   3.141  -5.886   8.627
   61   1HB   ASN   8          2HB       ASN   8   4.246  -7.922   9.514
   62   2HB   ASN   8          1HB       ASN   8   2.823  -8.339   8.587
   63   1HD2  ASN   8          2HD2      ASN   8   6.395  -9.838   7.509
   64   2HD2  ASN   8          1HD2      ASN   8   6.191  -8.914   8.917
   65    H    GLY   9           H        GLY   9   4.400  -4.371   6.898
   66   1HA   GLY   9          2HA       GLY   9   6.314  -2.959   7.638
   67   2HA   GLY   9          1HA       GLY   9   7.224  -4.422   7.836
   68    H    LEU  10           H        LEU  10   6.202  -5.246   4.993
   69    HA   LEU  10           HA       LEU  10   8.293  -3.778   3.530
   70   1HB   LEU  10          2HB       LEU  10   6.924  -6.400   2.925
   71   2HB   LEU  10          1HB       LEU  10   8.313  -5.740   2.098
   72    HG   LEU  10           HG       LEU  10   9.061  -7.431   3.555
   73   1HD1  LEU  10          2HD1      LEU  10  10.560  -5.485   3.547
   74   2HD1  LEU  10          1HD1      LEU  10   9.702  -4.785   4.912
   75   3HD1  LEU  10          3HD1      LEU  10  10.618  -6.266   5.117
   76   1HD2  LEU  10          3HD2      LEU  10   7.248  -7.748   5.088
   77   2HD2  LEU  10          2HD2      LEU  10   8.755  -7.597   5.963
   78   3HD2  LEU  10          1HD2      LEU  10   7.631  -6.275   5.957
   79    HA   PRO  11           HA       PRO  11   4.665  -1.945   1.309
   80   1HB   PRO  11          2HB       PRO  11   6.119  -0.340  -0.356
   81   2HB   PRO  11          1HB       PRO  11   5.817   0.092   1.332
   82   1HG   PRO  11          2HG       PRO  11   8.268  -1.339   0.186
   83   2HG   PRO  11          1HG       PRO  11   8.236   0.118   1.190
   84   1HD   PRO  11          2HD       PRO  11   8.644  -2.246   2.346
   85   2HD   PRO  11          1HD       PRO  11   7.520  -1.130   3.158
   86    H    VAL  12           H        VAL  12   4.065  -3.879   0.484
   87    HA   VAL  12           HA       VAL  12   5.084  -4.480  -2.257
   88    HB   VAL  12           HB       VAL  12   6.223  -5.906  -0.479
   89   1HG1  VAL  12          1HG1      VAL  12   4.321  -6.231   1.056
   90   2HG1  VAL  12          3HG1      VAL  12   3.477  -7.186  -0.143
   91   3HG1  VAL  12          2HG1      VAL  12   4.975  -7.773   0.538
   92   1HG2  VAL  12          1HG2      VAL  12   4.626  -7.423  -2.578
   93   2HG2  VAL  12          3HG2      VAL  12   6.199  -6.677  -2.793
   94   3HG2  VAL  12          2HG2      VAL  12   6.015  -8.045  -1.710
   95    H    CYS  13           H        CYS  13   2.702  -3.148  -1.601
   96    HA   CYS  13           HA       CYS  13   0.555  -5.181  -2.175
   97   1HB   CYS  13          2HB       CYS  13   0.493  -3.171  -0.381
   98   2HB   CYS  13          1HB       CYS  13  -0.056  -2.342  -1.790
   99    H    GLY  14           H        GLY  14   1.837  -2.091  -3.186
  100   1HA   GLY  14          2HA       GLY  14   2.359  -1.720  -5.570
  101   2HA   GLY  14          1HA       GLY  14   0.841  -2.528  -5.948
  102    H    GLU  15           H        GLU  15  -0.068  -0.998  -3.348
  103    HA   GLU  15           HA       GLU  15  -0.802   1.496  -4.769
  104   1HB   GLU  15          2HB       GLU  15  -2.678  -0.002  -4.316
  105   2HB   GLU  15          1HB       GLU  15  -2.282  -0.060  -2.609
  106   1HG   GLU  15          2HG       GLU  15  -2.809   2.362  -2.424
  107   2HG   GLU  15          1HG       GLU  15  -3.153   2.441  -4.144
  108    H    THR  16           H        THR  16  -1.322   3.263  -3.314
  109    HA   THR  16           HA       THR  16   0.593   3.447  -1.035
  110    HB   THR  16           HB       THR  16   0.909   5.881  -1.711
  111    HG1  THR  16           HG1      THR  16  -0.093   5.667  -4.163
  112   1HG2  THR  16          3HG2      THR  16   2.456   4.126  -2.734
  113   2HG2  THR  16          2HG2      THR  16   1.325   3.965  -4.070
  114   3HG2  THR  16          1HG2      THR  16   2.168   5.484  -3.808
  115    H    CYS  17           H        CYS  17   0.078   5.153   0.545
  116    HA   CYS  17           HA       CYS  17  -2.793   5.860   0.732
  117   1HB   CYS  17          2HB       CYS  17  -2.895   4.825   3.024
  118   2HB   CYS  17          1HB       CYS  17  -2.685   3.684   1.741
  119    H    VAL  18           H        VAL  18  -0.681   7.570   0.311
  120    HA   VAL  18           HA       VAL  18   0.666   8.844   2.330
  121    HB   VAL  18           HB       VAL  18  -0.773  10.095  -0.049
  122   1HG1  VAL  18          3HG1      VAL  18   1.630  11.086   1.540
  123   2HG1  VAL  18          2HG1      VAL  18   0.981  11.836   0.090
  124   3HG1  VAL  18          1HG1      VAL  18   0.030  11.821   1.566
  125   1HG2  VAL  18          2HG2      VAL  18   0.800   8.218  -0.644
  126   2HG2  VAL  18          1HG2      VAL  18   1.434   9.764  -1.178
  127   3HG2  VAL  18          3HG2      VAL  18   2.072   9.007   0.270
  128    H    GLY  19           H        GLY  19  -2.722   8.894   1.927
  129   1HA   GLY  19          2HA       GLY  19  -3.052  11.079   3.900
  130   2HA   GLY  19          1HA       GLY  19  -4.324  10.436   2.884
  131    H    GLY  20           H        GLY  20  -2.363   8.104   4.458
  132   1HA   GLY  20          2HA       GLY  20  -2.642   6.689   6.225
  133   2HA   GLY  20          1HA       GLY  20  -3.720   7.875   6.929
  134    H    THR  21           H        THR  21  -3.865   5.957   3.953
  135    HA   THR  21           HA       THR  21  -6.447   4.764   4.929
  136    HB   THR  21           HB       THR  21  -5.915   5.835   2.095
  137    HG1  THR  21           HG1      THR  21  -6.628   7.581   3.003
  138   1HG2  THR  21          1HG2      THR  21  -7.677   3.914   2.280
  139   2HG2  THR  21          3HG2      THR  21  -8.511   4.899   3.472
  140   3HG2  THR  21          2HG2      THR  21  -8.359   5.459   1.815
  141    H    CYS  22           H        CYS  22  -5.439   4.023   1.778
  142    HA   CYS  22           HA       CYS  22  -4.376   2.249   0.714
  143   1HB   CYS  22          2HB       CYS  22  -3.034   1.715   2.910
  144   2HB   CYS  22          1HB       CYS  22  -4.423   0.774   3.369
  145    H    ASN  23           H        ASN  23  -6.428   1.206   3.371
  146    HA   ASN  23           HA       ASN  23  -8.299  -0.092   3.568
  147   1HB   ASN  23          2HB       ASN  23  -9.168   2.099   2.774
  148   2HB   ASN  23          1HB       ASN  23  -9.070   1.545   1.110
  149   1HD2  ASN  23          2HD2      ASN  23 -12.228   0.043   1.249
  150   2HD2  ASN  23          1HD2      ASN  23 -10.968   0.694   0.316
  151    H    THR  24           H        THR  24  -6.481  -1.632   2.464
  152    HA   THR  24           HA       THR  24  -8.108  -3.406   0.708
  153    HB   THR  24           HB       THR  24  -6.741  -2.411  -0.964
  154    HG1  THR  24           HG1      THR  24  -4.911  -4.351  -0.641
  155   1HG2  THR  24          1HG2      THR  24  -4.319  -2.778   0.846
  156   2HG2  THR  24          3HG2      THR  24  -4.297  -2.127  -0.785
  157   3HG2  THR  24          2HG2      THR  24  -5.106  -1.247   0.502
  158    HA   PRO  25           HA       PRO  25  -6.963  -5.914   4.159
  159   1HB   PRO  25          2HB       PRO  25  -8.028  -8.326   3.378
  160   2HB   PRO  25          1HB       PRO  25  -9.036  -6.975   3.903
  161   1HG   PRO  25          2HG       PRO  25  -8.256  -7.735   1.029
  162   2HG   PRO  25          1HG       PRO  25  -9.876  -7.421   1.675
  163   1HD   PRO  25          2HD       PRO  25  -8.545  -5.451   0.405
  164   2HD   PRO  25          1HD       PRO  25  -9.468  -5.041   1.876
  165    H    GLY  26           H        GLY  26  -5.312  -7.287   4.733
  166   1HA   GLY  26          2HA       GLY  26  -3.603  -8.920   4.324
  167   2HA   GLY  26          1HA       GLY  26  -3.713  -8.567   2.596
  168    H    CYS  27           H        CYS  27  -3.756  -5.742   2.800
  169    HA   CYS  27           HA       CYS  27  -0.932  -5.163   3.535
  170   1HB   CYS  27          2HB       CYS  27  -2.804  -3.590   1.805
  171   2HB   CYS  27          1HB       CYS  27  -1.094  -3.379   2.001
  172    H    THR  28           H        THR  28  -0.448  -3.516   4.677
  173    HA   THR  28           HA       THR  28  -2.445  -2.071   6.344
  174    HB   THR  28           HB       THR  28   0.302  -3.145   6.871
  175    HG1  THR  28           HG1      THR  28  -2.131  -4.008   7.262
  176   1HG2  THR  28          2HG2      THR  28  -1.281  -1.334   8.725
  177   2HG2  THR  28          1HG2      THR  28   0.213  -2.184   9.144
  178   3HG2  THR  28          3HG2      THR  28   0.241  -0.925   7.935
  179    H    CYS  29           H        CYS  29  -1.551   0.052   7.051
  180    HA   CYS  29           HA       CYS  29  -0.136   1.263   4.727
  181   1HB   CYS  29          2HB       CYS  29  -2.395   2.041   5.142
  182   2HB   CYS  29          1HB       CYS  29  -1.935   2.557   6.734
   
  Start of MODEL          10
 Raw file had  182 H/Q atoms
  Start of MODEL   10
    1    H    SER   1           H        SER   1   1.648   2.153   5.055
    2    HA   SER   1           HA       SER   1   3.044   2.996   7.584
    3   1HB   SER   1          2HB       SER   1   4.324   1.258   5.926
    4   2HB   SER   1          1HB       SER   1   4.289   2.563   4.737
    5    HG   SER   1           HG       SER   1   5.888   3.402   5.778
    6    CH2  TRP   2           CH2      TRP   2   5.466  10.769   3.239
    7    H    TRP   2           H        TRP   2   2.309   5.203   7.569
    8    HA   TRP   2           HA       TRP   2   0.715   6.693   6.401
    9   1HB   TRP   2          2HB       TRP   2   2.187   8.155   7.404
   10   2HB   TRP   2          1HB       TRP   2   3.628   7.469   6.683
   11    HD1  TRP   2           HD1      TRP   2   0.384   9.157   5.112
   12    HE1  TRP   2           HE1      TRP   2   1.243  10.730   3.401
   13    HE3  TRP   2           HE3      TRP   2   5.319   8.507   5.745
   14    HZ2  TRP   2           HZ2      TRP   2   3.753  11.622   2.296
   15    HZ3  TRP   2           HZ3      TRP   2   6.949   9.707   4.356
   16    HH2  TRP   2           HH2      TRP   2   6.180  11.300   2.626
   17    HA   PRO   3           HA       PRO   3   1.535   7.398   2.011
   18   1HB   PRO   3          2HB       PRO   3   3.892   7.645   0.818
   19   2HB   PRO   3          1HB       PRO   3   3.422   8.742   2.091
   20   1HG   PRO   3          2HG       PRO   3   5.280   6.352   2.139
   21   2HG   PRO   3          1HG       PRO   3   5.461   7.828   3.034
   22   1HD   PRO   3          2HD       PRO   3   4.292   5.378   3.876
   23   2HD   PRO   3          1HD       PRO   3   4.273   6.783   4.900
   24    H    VAL   4           H        VAL   4   2.642   4.385   2.824
   25    HA   VAL   4           HA       VAL   4   2.033   3.327   0.135
   26    HB   VAL   4           HB       VAL   4   4.287   2.031   1.600
   27   1HG1  VAL   4          1HG1      VAL   4   3.418   0.996  -0.457
   28   2HG1  VAL   4          3HG1      VAL   4   3.730   2.474  -1.351
   29   3HG1  VAL   4          2HG1      VAL   4   5.066   1.544  -0.689
   30   1HG2  VAL   4          3HG2      VAL   4   4.684   4.611   0.047
   31   2HG2  VAL   4          2HG2      VAL   4   4.964   4.343   1.760
   32   3HG2  VAL   4          1HG2      VAL   4   5.973   3.537   0.583
   33    H    CYS   5           H        CYS   5   1.459   1.104   0.019
   34    HA   CYS   5           HA       CYS   5   0.159   0.019   2.494
   35   1HB   CYS   5          2HB       CYS   5   0.081  -0.748  -0.451
   36   2HB   CYS   5          1HB       CYS   5  -0.840  -1.547   0.790
   37    H    THR   6           H        THR   6   1.104  -1.566   3.545
   38    HA   THR   6           HA       THR   6   3.399  -3.046   2.364
   39    HB   THR   6           HB       THR   6   4.397  -1.417   3.864
   40    HG1  THR   6           HG1      THR   6   4.333  -3.204   5.828
   41   1HG2  THR   6          1HG2      THR   6   2.330  -2.330   5.963
   42   2HG2  THR   6          3HG2      THR   6   3.560  -1.106   6.210
   43   3HG2  THR   6          2HG2      THR   6   2.216  -0.789   5.132
   44    NH1  ARG   7           NH1      ARG   7   0.082  -6.916   6.253
   45    NH2  ARG   7           NH2      ARG   7  -1.050  -8.862   5.935
   46    H    ARG   7           H        ARG   7   4.002  -4.943   3.576
   47    HA   ARG   7           HA       ARG   7   1.675  -6.447   4.661
   48   1HB   ARG   7          2HB       ARG   7   2.153  -7.327   2.463
   49   2HB   ARG   7          1HB       ARG   7   3.871  -7.345   2.746
   50   1HG   ARG   7          2HG       ARG   7   3.063  -9.629   2.906
   51   2HG   ARG   7          1HG       ARG   7   3.523  -9.127   4.508
   52   1HD   ARG   7          2HD       ARG   7   0.634  -8.956   3.582
   53   2HD   ARG   7          1HD       ARG   7   1.292 -10.424   4.288
   54    HE   ARG   7           HE       ARG   7   1.880  -8.901   6.305
   55   1HH1  ARG   7          2HH1      ARG   7   0.944  -6.415   6.259
   56   2HH1  ARG   7          1HH1      ARG   7  -0.768  -6.446   6.486
   57   1HH2  ARG   7          1HH2      ARG   7  -1.046  -9.834   5.700
   58   2HH2  ARG   7          2HH2      ARG   7  -1.910  -8.406   6.167
   59    H    ASN   8           H        ASN   8   2.180  -6.169   6.769
   60    HA   ASN   8           HA       ASN   8   3.313  -6.160   8.777
   61   1HB   ASN   8          2HB       ASN   8   3.701  -8.720   7.404
   62   2HB   ASN   8          1HB       ASN   8   4.863  -8.487   8.685
   63   1HD2  ASN   8          2HD2      ASN   8   1.483  -8.126  10.699
   64   2HD2  ASN   8          1HD2      ASN   8   2.259  -6.830   9.940
   65    H    GLY   9           H        GLY   9   4.540  -4.624   6.861
   66   1HA   GLY   9          2HA       GLY   9   6.427  -3.169   7.249
   67   2HA   GLY   9          1HA       GLY   9   7.301  -4.534   7.905
   68    H    LEU  10           H        LEU  10   5.521  -4.818   4.928
   69    HA   LEU  10           HA       LEU  10   8.024  -4.717   3.326
   70   1HB   LEU  10          2HB       LEU  10   5.727  -6.684   3.156
   71   2HB   LEU  10          1HB       LEU  10   7.076  -6.630   2.059
   72    HG   LEU  10           HG       LEU  10   7.302  -7.164   5.073
   73   1HD1  LEU  10          3HD1      LEU  10   7.493  -9.093   2.716
   74   2HD1  LEU  10          2HD1      LEU  10   7.784  -9.507   4.400
   75   3HD1  LEU  10          1HD1      LEU  10   6.177  -9.026   3.881
   76   1HD2  LEU  10          2HD2      LEU  10   9.393  -7.407   2.862
   77   2HD2  LEU  10          1HD2      LEU  10   9.380  -6.150   4.090
   78   3HD2  LEU  10          3HD2      LEU  10   9.633  -7.819   4.555
   79    HA   PRO  11           HA       PRO  11   4.851  -1.786   1.458
   80   1HB   PRO  11          2HB       PRO  11   6.825  -0.005   0.723
   81   2HB   PRO  11          1HB       PRO  11   5.939   0.111   2.243
   82   1HG   PRO  11          2HG       PRO  11   8.645  -1.255   1.752
   83   2HG   PRO  11          1HG       PRO  11   8.234  -0.077   3.002
   84   1HD   PRO  11          2HD       PRO  11   8.194  -2.667   3.643
   85   2HD   PRO  11          1HD       PRO  11   6.814  -1.683   4.184
   86    H    VAL  12           H        VAL  12   4.313  -2.431  -0.360
   87    HA   VAL  12           HA       VAL  12   5.103  -2.413  -2.854
   88    HB   VAL  12           HB       VAL  12   7.322  -3.530  -2.362
   89   1HG1  VAL  12          2HG1      VAL  12   5.693  -5.979  -1.480
   90   2HG1  VAL  12          1HG1      VAL  12   7.428  -5.926  -1.696
   91   3HG1  VAL  12          3HG1      VAL  12   6.675  -4.988  -0.427
   92   1HG2  VAL  12          2HG2      VAL  12   6.391  -3.795  -4.556
   93   2HG2  VAL  12          1HG2      VAL  12   7.325  -5.206  -4.079
   94   3HG2  VAL  12          3HG2      VAL  12   5.577  -5.276  -4.092
   95    H    CYS  13           H        CYS  13   2.870  -2.518  -1.541
   96    HA   CYS  13           HA       CYS  13   1.549  -5.147  -1.774
   97   1HB   CYS  13          2HB       CYS  13   1.006  -2.587  -0.555
   98   2HB   CYS  13          1HB       CYS  13  -0.422  -3.302  -1.235
   99    H    GLY  14           H        GLY  14   1.881  -2.175  -3.489
  100   1HA   GLY  14          2HA       GLY  14   1.466  -2.533  -5.989
  101   2HA   GLY  14          1HA       GLY  14  -0.156  -2.980  -5.478
  102    H    GLU  15           H        GLU  15  -0.452  -1.043  -3.431
  103    HA   GLU  15           HA       GLU  15  -0.516   1.457  -5.028
  104   1HB   GLU  15          2HB       GLU  15  -2.706   0.112  -4.517
  105   2HB   GLU  15          1HB       GLU  15  -2.577   0.791  -2.917
  106   1HG   GLU  15          2HG       GLU  15  -3.582   2.703  -3.687
  107   2HG   GLU  15          1HG       GLU  15  -2.225   2.996  -4.755
  108    H    THR  16           H        THR  16  -1.187   3.295  -3.475
  109    HA   THR  16           HA       THR  16   0.758   3.373  -1.235
  110    HB   THR  16           HB       THR  16   0.870   5.878  -1.730
  111    HG1  THR  16           HG1      THR  16  -1.237   5.093  -3.202
  112   1HG2  THR  16          3HG2      THR  16   2.504   4.284  -2.913
  113   2HG2  THR  16          2HG2      THR  16   1.341   4.154  -4.227
  114   3HG2  THR  16          1HG2      THR  16   2.097   5.700  -3.874
  115    H    CYS  17           H        CYS  17   0.233   5.090   0.458
  116    HA   CYS  17           HA       CYS  17  -2.694   5.456   0.797
  117   1HB   CYS  17          2HB       CYS  17  -2.467   4.714   3.187
  118   2HB   CYS  17          1HB       CYS  17  -2.365   3.418   2.057
  119    H    VAL  18           H        VAL  18  -0.599   7.351   0.255
  120    HA   VAL  18           HA       VAL  18   0.356   8.931   2.291
  121    HB   VAL  18           HB       VAL  18  -1.015   9.943  -0.253
  122   1HG1  VAL  18          3HG1      VAL  18  -0.489  11.726   1.431
  123   2HG1  VAL  18          2HG1      VAL  18   1.172  11.152   1.495
  124   3HG1  VAL  18          1HG1      VAL  18   0.543  11.854   0.012
  125   1HG2  VAL  18          1HG2      VAL  18   0.789   8.218  -0.694
  126   2HG2  VAL  18          3HG2      VAL  18   1.261   9.814  -1.243
  127   3HG2  VAL  18          2HG2      VAL  18   1.907   9.179   0.258
  128    H    GLY  19           H        GLY  19  -2.854   8.933   1.053
  129   1HA   GLY  19          2HA       GLY  19  -4.216  10.970   2.277
  130   2HA   GLY  19          1HA       GLY  19  -4.943   9.379   2.051
  131    H    GLY  20           H        GLY  20  -3.138   8.070   3.717
  132   1HA   GLY  20          2HA       GLY  20  -2.377   8.203   6.087
  133   2HA   GLY  20          1HA       GLY  20  -3.984   8.830   6.425
  134    H    THR  21           H        THR  21  -3.662   6.204   4.116
  135    HA   THR  21           HA       THR  21  -3.701   3.918   5.640
  136    HB   THR  21           HB       THR  21  -6.488   3.769   5.162
  137    HG1  THR  21           HG1      THR  21  -7.231   5.652   5.381
  138   1HG2  THR  21          1HG2      THR  21  -5.128   4.352   7.856
  139   2HG2  THR  21          3HG2      THR  21  -6.727   3.664   7.645
  140   3HG2  THR  21          2HG2      THR  21  -5.309   2.761   7.141
  141    H    CYS  22           H        CYS  22  -4.519   2.050   4.570
  142    HA   CYS  22           HA       CYS  22  -4.669   2.346   1.628
  143   1HB   CYS  22          2HB       CYS  22  -2.798   0.977   2.830
  144   2HB   CYS  22          1HB       CYS  22  -4.051  -0.156   3.248
  145    H    ASN  23           H        ASN  23  -6.241   0.575   0.650
  146    HA   ASN  23           HA       ASN  23  -8.538   0.162   2.540
  147   1HB   ASN  23          2HB       ASN  23 -10.069   0.778   0.669
  148   2HB   ASN  23          1HB       ASN  23  -9.004   2.088   1.134
  149   1HD2  ASN  23          2HD2      ASN  23  -7.644   2.379  -2.075
  150   2HD2  ASN  23          1HD2      ASN  23  -7.916   3.068  -0.551
  151    H    THR  24           H        THR  24  -6.570  -1.875   1.652
  152    HA   THR  24           HA       THR  24  -8.577  -3.810   0.578
  153    HB   THR  24           HB       THR  24  -7.107  -3.225  -1.312
  154    HG1  THR  24           HG1      THR  24  -6.014  -5.640  -0.726
  155   1HG2  THR  24          2HG2      THR  24  -4.996  -2.599   0.025
  156   2HG2  THR  24          1HG2      THR  24  -4.777  -4.311   0.377
  157   3HG2  THR  24          3HG2      THR  24  -4.695  -3.744  -1.275
  158    HA   PRO  25           HA       PRO  25  -7.261  -6.163   4.230
  159   1HB   PRO  25          2HB       PRO  25  -8.496  -8.350   2.539
  160   2HB   PRO  25          1HB       PRO  25  -8.675  -8.046   4.271
  161   1HG   PRO  25          2HG       PRO  25 -10.650  -7.256   2.657
  162   2HG   PRO  25          1HG       PRO  25 -10.109  -6.119   3.894
  163   1HD   PRO  25          2HD       PRO  25  -9.328  -6.182   0.920
  164   2HD   PRO  25          1HD       PRO  25  -9.820  -4.791   1.916
  165    H    GLY  26           H        GLY  26  -5.407  -7.363   4.597
  166   1HA   GLY  26          2HA       GLY  26  -3.725  -8.974   3.895
  167   2HA   GLY  26          1HA       GLY  26  -3.977  -8.447   2.234
  168    H    CYS  27           H        CYS  27  -4.108  -5.607   3.005
  169    HA   CYS  27           HA       CYS  27  -1.203  -5.076   3.485
  170   1HB   CYS  27          2HB       CYS  27  -3.273  -3.662   1.844
  171   2HB   CYS  27          1HB       CYS  27  -1.662  -3.067   2.153
  172    H    THR  28           H        THR  28  -0.626  -3.571   4.688
  173    HA   THR  28           HA       THR  28  -2.434  -2.249   6.645
  174    HB   THR  28           HB       THR  28   0.302  -3.442   6.821
  175    HG1  THR  28           HG1      THR  28  -1.354  -3.903   8.882
  176   1HG2  THR  28          1HG2      THR  28  -0.954  -1.634   8.928
  177   2HG2  THR  28          3HG2      THR  28   0.528  -2.575   9.131
  178   3HG2  THR  28          2HG2      THR  28   0.490  -1.256   7.990
  179    H    CYS  29           H        CYS  29  -1.268  -0.110   7.352
  180    HA   CYS  29           HA       CYS  29   0.073   1.042   4.951
  181   1HB   CYS  29          2HB       CYS  29  -2.173   1.814   5.251
  182   2HB   CYS  29          1HB       CYS  29  -1.794   2.352   6.856
   
   
  No H/Q in entry =         182