*HEADER    TRANSPORT PROTEIN INHIBITOR             12-SEP-16   5TBG              
*TITLE     THE SOLUTION STRUCTURE OF THE MAGNESIUM-BOUND CONANTOKIN-R1B MUTANT   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CONANTOKIN-R1B;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS;                                          
*SOURCE   4 ORGANISM_TAXID: 6490                                                 
*KEYWDS    TRANSPORT PROTEIN INHIBITOR                                           
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    F.J.CASTELLINO,Y.YUAN                                                 
*REVDAT   1   28-JUN-17 5TBG    0                                                
# Restraints file 1: ConRlB10P_talos_deposit.txt
set message=off echo=off end
restraints dihedral reset

!# REMARK  error margins are set to conservative default values of double the standard deviation observed in TALOS+, capped at a minimum of +/-20 degree.
assign (resid    1 and name C    ) (resid    2 and name N    )
       (resid    2 and name CA   ) (resid    2 and name C    )    1.0  -60.1   21.5 2
assign (resid    2 and name N    ) (resid    2 and name CA   )
       (resid    2 and name C    ) (resid    3 and name N    )    1.0  -37.4   21.9 2
assign (resid    2 and name C    ) (resid    3 and name N    )
       (resid    3 and name CA   ) (resid    3 and name C    )    1.0  -63.3   20.0 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name C    ) (resid    4 and name N    )    1.0  -32.6   26.9 2
assign (resid    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    1.0  -67.9   30.8 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    1.0  -40.3   20.0 2
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    1.0  -66.3   20.0 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name C    ) (resid    6 and name N    )    1.0  -37.0   27.6 2
assign (resid    5 and name C    ) (resid    6 and name N    )
       (resid    6 and name CA   ) (resid    6 and name C    )    1.0  -63.8   21.6 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name C    ) (resid    7 and name N    )    1.0  -39.7   20.0 2
assign (resid    6 and name C    ) (resid    7 and name N    )
       (resid    7 and name CA   ) (resid    7 and name C    )    1.0  -65.9   20.0 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    1.0  -31.8   26.3 2
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0  -93.9   41.8 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0   -8.7   43.1 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -65.6   20.0 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  -33.6   20.0 2
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0  -62.5   20.0 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  -39.4   20.0 2
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0  -65.4   20.0 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  -36.6   20.0 2
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0  -63.8   20.0 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0  -39.7   20.0 2
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0  -66.1   20.0 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0  -37.7   24.1 2
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0  -65.7   20.0 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  -35.8   20.0 2
assign (resid   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0  -73.7   26.5 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name C    ) (resid   18 and name N    )    1.0  -27.5   28.6 2
# Restraints file 2: ConRlB10P_noe_deposit.txt
assign (residue 2 and name HB#) (residue 2 and name HA) 2.5 0.5 1.5
assign (residue 3 and name HB1) (residue 3 and name HA) 2.5 0.5 1.0
assign (residue 3 and name HB1) (residue 3 and name HB2) 2.5 0.5 0.5

assign (residue 4 and name HA) (residue 4 and name HN) 2.5 0.5 0.5
assign (residue 4 and name HB1) (residue 4 and name HG) 2.5 0.5 1.0
assign (residue 4 and name HB1) (residue 4 and name HN) 2.5 0.5 1.0
assign (residue 4 and name HB2) (residue 4 and name HA) 2.5 0.5 1.0
assign (residue 4 and name HB2) (residue 4 and name HG) 2.5 0.5 1.0
assign (residue 4 and name HB2) (residue 4 and name HN) 2.5 0.5 1.0
assign (residue 4 and name HG) (residue 4 and name HA) 3.0 0.5 0.5
assign (residue 4 and name HN) (residue 5 and name HN) 2.5 0.5 0.5

assign (residue 5 and name HB1) (residue 5 and name HN) 2.5 0.5 1.5
assign (residue 5 and name HB2) (residue 5 and name HA) 2.5 0.5 1.5
assign (residue 5 and name HB2) (residue 5 and name HB1) 2.5 0.5 1.5
assign (residue 5 and name HB2) (residue 5 and name HN) 2.5 0.5 1.5
assign (residue 5 and name HB#) (residue 6 and name HN) 3.0 0.5 1.5
assign (residue 5 and name HD2#) (residue 5 and name HA) 3.0 0.5 1.5
assign (residue 5 and name HD2#) (residue 5 and name HG) 3.0 0.5 1.5
assign (residue 5 and name HN) (residue 6 and name HN) 2.5 0.5 0.5

assign (residue 6 and name HA) (residue 6 and name HN) 2.5 0.5 0.5
assign (residue 6 and name HB#) (residue 6 and name HA) 2.5 0.5 1.5
assign (residue 6 and name HB#) (residue 6 and name HN) 2.5 0.5 1.5
assign (residue 6 and name HB#) (residue 7 and name HN) 3.0 0.5 1.5
assign (residue 6 and name HN) (residue 7 and name HN) 2.5 0.5 0.5
assign (residue 7 and name HA) (residue 7 and name HN) 2.5 0.5 0.5
assign (residue 7 and name HB#) (residue 7 and name HA) 2.5 0.5 1.5
assign (residue 7 and name HB#) (residue 7 and name HG) 2.5 0.5 1.5
assign (residue 7 and name HB#) (residue 7 and name HN) 2.5 0.5 1.5
assign (residue 7 and name HG) (residue 7 and name HA) 3.0 0.5 0.5
assign (residue 7 and name HG) (residue 7 and name HN) 2.5 0.5 0.5
assign (residue 8 and name HN) (residue 9 and name HN) 2.5 0.5 0.5

assign (residue 8 and name HB#) (residue 8 and name HA) 2.5 0.5 1.5
assign (residue 8 and name HD#) (residue 8 and name HA) 2.5 0.5 1.5
assign (residue 8 and name HG#) (residue 8 and name HA) 2.5 0.5 1.5

assign (residue 8 and name HG#) (residue 9 and name HN) 2.5 0.5 1.5 

assign (residue 8 and name HG2) (residue 10 and name HA) 2.5 0.5 1.5      
assign (residue 8 and name HG2) (residue 10 and name HD1) 2.5 0.5 1.5   
assign (residue 8 and name HG#) (residue 12 and name HE#) 2.5 0.5 2.5
assign (residue 8 and name HD2) (residue 12 and name HE1) 2.5 0.5 2.5

assign (residue 10 and name HB1) (residue 10 and name HB2) 2.5 0.5 0.5
assign (residue 10 and name HB2) (residue 10 and name HA) 2.5 0.5 1.0
assign (residue 10 and name HG1) (residue 10 and name HD1) 2.5 0.5 2.0
assign (residue 10 and name HG2) (residue 10 and name HA) 2.5 0.5 1.5
assign (residue 10 and name HG2) (residue 10 and name HD1) 2.5 0.5 1.5
assign (residue 10 and name HG2) (residue 10 and name HD2) 2.5 0.5 2.0

assign (residue 11 and name HB1) (residue 11 and name HG) 2.5 0.5 1.0
assign (residue 11 and name HB1) (residue 11 and name HN) 2.5 0.5 1.0
assign (residue 11 and name HB2) (residue 11 and name HG) 2.5 0.5 1.0
assign (residue 11 and name HB2) (residue 11 and name HN) 2.5 0.5 1.0
assign (residue 11 and name HB#) (residue 12 and name HN) 3.5 0.5 1.5
assign (residue 11 and name HN) (residue 12 and name HN) 2.5 0.5 0.5

assign (residue 12 and name HA) (residue 12 and name HD#) 2.5 0.5 1.5
assign (residue 12 and name HA) (residue 12 and name HN) 2.5 0.5 0.5
assign (residue 12 and name HB1) (residue 12 and name HA) 2.5 0.5 1.5
assign (residue 12 and name HB1) (residue 12 and name HD2) 2.5 0.5 2.5
assign (residue 12 and name HB1) (residue 12 and name HN) 2.5 0.5 1.5
assign (residue 12 and name HN) (residue 13 and name HN) 2.5 0.5 0.5

assign (residue 13 and name HA) (residue 13 and name HN) 2.5 0.5 0.5
assign (residue 13 and name HB#) (residue 13 and name HA) 2.5 0.5 1.5
assign (residue 13 and name HB#) (residue 13 and name HN) 2.5 0.5 1.5
assign (residue 14 and name HA) (residue 14 and name HN) 2.5 0.5 0.5
assign (residue 14 and name HB2) (residue 14 and name HA) 2.5 0.5 1.5
assign (residue 14 and name HB2) (residue 14 and name HG2) 2.5 0.5 1.5
assign (residue 14 and name HB2) (residue 14 and name HN) 2.5 0.5 1.5
assign (residue 14 and name HB2) (residue 15 and name HN) 3.5 0.5 1.5
assign (residue 14 and name HD#) (residue 14 and name HB1) 2.5 0.5 1.5
assign (residue 14 and name HD#) (residue 14 and name HG1) 2.5 0.5 1.5
assign (residue 14 and name HG1) (residue 14 and name HA) 2.5 0.5 1.5
assign (residue 14 and name HG1) (residue 14 and name HB2) 2.5 0.5 1.5
assign (residue 14 and name HG1) (residue 14 and name HG2) 2.5 0.5 1.5
assign (residue 14 and name HG2) (residue 14 and name HA) 2.5 0.5 1.5
assign (residue 14 and name HG2) (residue 14 and name HB2) 2.5 0.5 1.5
assign (residue 14 and name HG2) (residue 14 and name HN) 2.5 0.5 1.5
assign (residue 14 and name HN) (residue 15 and name HN) 2.5 0.5 0.5

assign (residue 15 and name HA) (residue 15 and name HN) 2.5 0.5 0.5
assign (residue 15 and name HB1) (residue 15 and name HA) 2.5 0.5 1.5
assign (residue 15 and name HB1) (residue 15 and name HN) 2.5 0.5 1.5
assign (residue 15 and name HB2) (residue 15 and name HA) 2.5 0.5 1.5
assign (residue 15 and name HG) (residue 15 and name HA) 3.0 0.5 0.5
assign (residue 15 and name HG) (residue 15 and name HN) 2.5 0.5 0.5
assign (residue 15 and name HN) (residue 16 and name HN) 2.5 0.5 0.5

assign (residue 16 and name HA) (residue 16 and name HN) 2.5 0.5 0.5
assign (residue 16 and name HB1) (residue 16 and name HA) 2.5 0.5 1.5
assign (residue 16 and name HB1) (residue 16 and name HN) 2.5 0.5 1.5
assign (residue 16 and name HB#) (residue 16 and name HN) 2.5 0.5 1.5 
assign (residue 16 and name HB#) (residue 17 and name HN) 2.5 0.5 1.5
assign (residue 16 and name HB2) (residue 19 and name HA) 4.0 0.5 1.0 
assign (residue 17 and name HA) (residue 17 and name HN) 2.5 0.5 0.5
assign (residue 17 and name HB#) (residue 17 and name HA) 2.5 0.5 1.5
assign (residue 17 and name HB#) (residue 17 and name HN) 2.5 0.5 1.5
assign (residue 17 and name HB#) (residue 18 and name HN) 3.5 0.5 1.5

assign (residue 18 and name HA) (residue 18 and name HN) 2.5 0.5 0.5
assign (residue 18 and name HB2) (residue 18 and name HN) 2.5 0.5 1.5
assign (residue 18 and name HD21) (residue 18 and name HD22) 2.5 0.5 0.5
assign (residue 18 and name HD22) (residue 16 and name HN) 2.5 0.5 1.5
assign (residue 18 and name HD21) (residue 16 and name HN) 2.5 0.5 1.5

assign (residue 19 and name H1) (residue 19 and name H2) 2.5 0.5 0.5
assign (residue 19 and name H1) (residue 19 and name HN) 2.5 0.5 1.5
assign (residue 19 and name HA) (residue 19 and name HN) 2.5 0.5 0.5

assign (residue 19 and name HB1) (residue 19 and name HN) 2.5 0.5 1.5

assign (residue 19 and name HB2) (residue 19 and name HN) 2.5 0.5 1.5
!
assign (residue 19 and name HA) (residue 19 and name HE#) 2.5 0.5 2.5  
assign (residue 19 and name HE#) (residue 18 and name HD22) 2.5 0.5 2.5
assign (residue 19 and name HE#) (residue 19 and name H2) 2.5 0.5 2.5

assign (residue 1 and name HA1) (residue 5 and name HN) 3.5 1.0 1.5
assign (residue 1 and name HA2) (residue 5 and name HN) 3.5 1.0 1.5

assign (residue 2 and name HN) (residue 3 and name HN) 3.0 1.0 0.5

assign (residue 3 and name HA) (residue 4 and name HN) 3.5 1.0 0.5
assign (residue 3 and name HN) (residue 6 and name HN) 3.5 1.0 0.5
assign (residue 3 and name HB1) (residue 3 and name HN) 3.0 1.0 1.5
assign (residue 3 and name HB1) (residue 4 and name HN) 3.5 1.0 1.5
assign (residue 3 and name HB2) (residue 3 and name HN) 3.0 1.0 1.5

assign (residue 3 and name HN) (residue 4 and name HN) 3.0 1.0 0.5
assign (residue 4 and name HA) (residue 7 and name HN) 3.5 1.0 0.5  
assign (residue 4 and name HB1) (residue 4 and name HA) 3.0 1.0 1.5
assign (residue 4 and name HB1) (residue 5 and name HN) 3.5 1.0 1.5
assign (residue 4 and name HB2) (residue 5 and name HN) 3.5 1.0 1.5
assign (residue 4 and name HG) (residue 4 and name HB1) 3.0 1.0 0.5

assign (residue 4 and name HG) (residue 4 and name HN) 3.5 1.0 1.0  
assign (residue 5 and name HA) (residue 5 and name HN) 3.0 1.0 0.5
assign (residue 5 and name HB1) (residue 5 and name HA) 3.0 1.0 1.5
assign (residue 5 and name HB1) (residue 6 and name HN) 3.5 1.0 1.5
assign (residue 5 and name HG) (residue 5 and name HN) 3.0 1.0 0.5
assign (residue 6 and name HA) (residue 8 and name HN) 3.5 1.0 0.5

assign (residue 7 and name HB#) (residue 8 and name HN) 3.5 1.0 2.5
assign (residue 7 and name HN) (residue 8 and name HN) 3.0 1.0 0.5

assign (residue 8 and name HA) (residue 8 and name HN) 3.0 1.0 0.5
assign (residue 8 and name HD1) (residue 12 and name HZ) 3.0 1.0 1.5  
assign (residue 8 and name HD2) (residue 12 and name HZ) 3.0 1.0 1.5   
assign (residue 8 and name HG#) (residue 8 and name HA) 3.0 1.0 2.5    
assign (residue 8 and name HG1) (residue 12 and name HZ) 3.0 1.0 1.5  
assign (residue 8 and name HG2) (residue 12 and name HD2) 3.0 1.0 1.5  
assign (residue 8 and name HG2) (residue 12 and name HE2) 3.0 1.0 1.5 
assign (residue 8 and name HN) (residue 7 and name HN) 3.0 1.0 0.5
assign (residue 9 and name HA) (residue 9 and name HN) 3.0 1.0 0.5
assign (residue 9 and name HN) (residue 10 and name HD1) 3.0 1.0 0.5
assign (residue 10 and name HB1) (residue 10 and name HD1) 3.0 1.0 1.5
assign (residue 10 and name HB2) (residue 11 and name HN) 3.5 1.0 1.5
assign (residue 10 and name HB2) (residue 12 and name HN) 3.5 1.0 1.0
assign (residue 10 and name HD2) (residue 11 and name HN) 3.0 1.0 1.5

assign (residue 11 and name HA) (residue 11 and name HN) 3.0 1.0 0.5
assign (residue 11 and name HA) (residue 12 and name HN) 3.5 1.0 0.5

assign (residue 11 and name HA) (residue 14 and name HN) 3.5 1.0 0.5
assign (residue 11 and name HB#) (residue 12 and name HN) 3.5 1.0 2.5 
assign (residue 12 and name HA) (residue 15 and name HN) 3.5 1.0 0.5
assign (residue 12 and name HB#) (residue 13 and name HN) 3.5 1.0 2.5
assign (residue 12 and name HN) (residue 12 and name HD#) 3.0 1.0 0.5
assign (residue 12 and name HN) (residue 16 and name HN) 5.0 1.0 1.0    
assign (residue 12 and name HZ) (residue 13 and name HA) 3.0 0.5 1.0    
assign (residue 13 and name HA) (residue 14 and name HN) 3.5 1.0 0.5
assign (residue 14 and name HA) (residue 15 and name HN) 3.5 1.0 0.5
assign (residue 14 and name HA) (residue 17 and name HN) 3.5 1.0 0.5
assign (residue 14 and name HD#) (residue 14 and name HG2) 3.0 1.0 2.5
assign (residue 14 and name HG1) (residue 14 and name HN) 3.0 1.0 0.5
assign (residue 15 and name HA) (residue 18 and name HN) 3.5 1.0 0.5
assign (residue 15 and name HB1) (residue 16 and name HN) 3.5 1.0 1.5
assign (residue 15 and name HB2) (residue 15 and name HN) 3.5 1.0 1.5
assign (residue 15 and name HB2) (residue 16 and name HN) 3.5 1.0 1.5
assign (residue 15 and name HG) (residue 16 and name HN) 3.5 1.0 0.5
assign (residue 15 and name HN) (residue 11 and name HN) 4.0 1.0 1.5  
assign (residue 16 and name HA) (residue 17 and name HN) 3.5 1.0 0.5
assign (residue 16 and name HB1) (residue 17 and name HN) 3.5 1.0 1.5
assign (residue 16 and name HB1) (residue 19 and name HE#) 3.5 1.0 2.5
assign (residue 17 and name HA) (residue 18 and name HN) 3.5 1.0 0.5

assign (residue 18 and name HA) (residue 19 and name HN) 3.5 1.0 0.5
assign (residue 18 and name HB1) (residue 18 and name HN) 3.5 1.0 1.5
assign (residue 18 and name HB2) (residue 18 and name HD21) 3.0 1.0 1.5
assign (residue 18 and name HB2) (residue 18 and name HD22) 3.5 1.0 1.5
assign (residue 18 and name HB2) (residue 19 and name HN) 3.5 1.0 0.5

assign (residue 19 and name HA) (residue 19 and name H1) 3.0 1.0 1.5
assign (residue 19 and name HB1) (residue 19 and name HD#) 3.0 1.0 2.5  
assign (residue 19 and name HB1) (residue 19 and name HN) 3.0 1.0 1.5  
assign (residue 19 and name HD#) (residue 19 and name HN) 3.0 1.0 2.5   
assign (residue 1 and name HA1) (residue 2 and name HN) 5.0 2.0 1.0
assign (residue 1 and name HA2) (residue 2 and name HN) 4.0 2.0 1.0
assign (residue 2 and name HB#) (residue 2 and name HN) 4.0 2.0 2.5
assign (residue 2 and name HB#) (residue 3 and name HN) 4.0 2.0 2.5

assign (residue 2 and name HN) (residue 4 and name HN) 4.2 2.0 1.0

assign (residue 3 and name HA) (residue 3 and name HN) 2.5 0.5 1.5

assign (residue 3 and name HA) (residue 7 and name HN) 4.0 0.5 1.0

assign (residue 3 and name HG) (residue 4 and name HN) 4.0 0.5 1.0 

assign (residue 3 and name HN) (residue 4 and name HN) 4.0 2.0 1.5


assign (residue 4 and name HA) (residue 6 and name HN) 4.4 1.0 0.5  

assign (residue 8 and name HE#) (residue 12 and name HD#) 4.0 2.0 2.5
assign (residue 8 and name HE#) (residue 12 and name HE#) 5.0 2.0 2.0
assign (residue 8 and name HG#) (residue 12 and name HN) 4.0 2.0 2.5

assign (residue 8 and name HA) (residue 12 and name HN) 4.0 2.0 1.5

assign (residue 8 and name HA) (residue 9 and name HN) 4.0 1.0 1.0

assign (residue 10 and name HA) (residue 11 and name HN) 4.0 2.0 0.5
assign (residue 10 and name HB1) (residue 11 and name HN) 4.0 2.0 1.5

assign (residue 11 and name HA) (residue 15 and name HN) 4.0 2.0 1.5

assign (residue 14 and name HD#) (residue 15 and name HN) 5.0 2.0 2.0

assign (residue 14 and name HG#) (residue 15 and name HN) 4.0 2.0 2.0 
assign (residue 16 and name HD1#) (residue 16 and name HN) 4.0 2.0 2.5

assign (residue 18 and name HB1) (residue 18 and name HD21) 4.0 2.0 1.5
assign (residue 18 and name HB1) (residue 18 and name HD22) 4.0 2.0 1.5
assign (residue 18 and name HB1) (residue 19 and name HN) 4.0 2.0 1.5
assign (residue 18 and name HB2) (residue 19 and name H1) 4.0 2.0 1.5

assign (residue 19 and name HN) (residue 19 and name H2) 4.0 2.0 1.5


assign (residue 11 and name O) (residue 15 and name HN) 1.9 0.1 0.1

assign (residue 11 and name O) (residue 15 and name N) 2.85 0.15 0.15

assign (residue 12 and name O) (residue 16 and name HN) 1.9 0.1 0.1

assign (residue 12 and name O) (residue 16 and name N) 2.85 0.15 0.15

assign (residue 13 and name O) (residue 17 and name HN) 1.9 0.1 0.1

assign (residue 13 and name O) (residue 17 and name N) 2.85 0.15 0.15

assign (residue 14 and name O) (residue 18 and name HN) 1.9 0.1 0.1

assign (residue 14 and name O) (residue 18 and name N) 2.85 0.15 0.15


assign (residue 3 and name O1#) (residue 100 and name MG) 3.0 1.5 0.5

assign (residue 7 and name O1#) (residue 100 and name MG) 3.0 1.5 0.5

assign (residue 3 and name O2#) (residue 100 and name MG) 3.0 1.5 0.5

assign (residue 7 and name O2#) (residue 100 and name MG) 3.0 1.5 0.5

assign (residue 11 and name O1#) (residue 101 and name MG) 3.0 1.5 0.5

assign (residue 15 and name O1#) (residue 101 and name MG) 3.0 1.5 0.5

assign (residue 11 and name O2#) (residue 101 and name MG) 3.0 1.5 0.5

assign (residue 15 and name O2#) (residue 101 and name MG) 3.0 1.5 0.5
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1   7.566  11.519   1.652
    2    H2   GLY   1           HT2      GLY   1   7.416  12.077   3.250
    3    H3   GLY   1           HT3      GLY   1   6.220  11.057   2.584
    4    HA2  GLY   1           HA1      GLY   1   9.068  10.257   3.024
    5    HA3  GLY   1           HA2      GLY   1   7.745   9.870   4.128
    6    H    GLU   2           HN       GLU   2   5.711   9.259   2.537
    7    HA   GLU   2           HA       GLU   2   5.884   6.626   1.780
    8    HB2  GLU   2           HB2      GLU   2   3.965   7.091   0.272
    9    HB3  GLU   2           HB1      GLU   2   3.789   7.901   1.825
   10    HG2  GLU   2           HG2      GLU   2   4.488   9.112  -0.856
   11    HG3  GLU   2           HG1      GLU   2   3.201   9.571   0.250
   12    H    CGU   3           HN       CGU   3   6.457   9.382  -0.445
   13    HA   CGU   3           HA       CGU   3   7.189   7.735  -2.665
   14    HB2  CGU   3           HB1      CGU   3   8.042  10.603  -2.100
   15    HB3  CGU   3           HB2      CGU   3   6.536  10.118  -2.927
   16    HG   CGU   3           HG       CGU   3   9.325   9.344  -3.847
   17    H    CGU   4           HN       CGU   4   9.203   9.482  -0.249
   18    HA   CGU   4           HA       CGU   4  11.719   8.545  -1.202
   19    HB2  CGU   4           HB1      CGU   4  10.729   9.318   1.553
   20    HB3  CGU   4           HB2      CGU   4  11.835  10.202   0.503
   21    HG   CGU   4           HG       CGU   4  12.393   7.626   2.013
   22    H    LEU   5           HN       LEU   5   9.376   7.176   1.095
   23    HA   LEU   5           HA       LEU   5  10.806   4.741   1.607
   24    HB2  LEU   5           HB2      LEU   5   7.831   5.376   1.614
   25    HB3  LEU   5           HB1      LEU   5   8.514   3.829   2.182
   26    HG   LEU   5           HG       LEU   5   9.403   6.521   3.266
   27   HD11  LEU   5          HD11      LEU   5   7.662   4.749   4.893
   28   HD12  LEU   5          HD12      LEU   5   6.868   5.613   3.578
   29   HD13  LEU   5          HD13      LEU   5   7.731   6.509   4.826
   30   HD21  LEU   5          HD21      LEU   5   9.735   3.630   4.112
   31   HD22  LEU   5          HD22      LEU   5  10.079   4.983   5.189
   32   HD23  LEU   5          HD23      LEU   5  11.002   4.786   3.701
   33    H    ALA   6           HN       ALA   6   8.328   5.637  -0.825
   34    HA   ALA   6           HA       ALA   6   8.282   3.088  -2.161
   35    HB1  ALA   6           HB1      ALA   6   6.866   4.137  -3.610
   36    HB2  ALA   6           HB2      ALA   6   8.014   5.437  -3.926
   37    HB3  ALA   6           HB3      ALA   6   6.977   5.504  -2.503
   38    H    CGU   7           HN       CGU   7  10.357   5.942  -2.510
   39    HA   CGU   7           HA       CGU   7  11.942   4.709  -4.670
   40    HB2  CGU   7           HB1      CGU   7  13.312   6.730  -4.512
   41    HB3  CGU   7           HB2      CGU   7  12.520   7.181  -3.006
   42    HG   CGU   7           HG       CGU   7  10.320   7.151  -4.382
   43    H    LYS   8           HN       LYS   8  11.628   3.585  -1.845
   44    HA   LYS   8           HA       LYS   8  14.542   3.183  -1.345
   45    HB2  LYS   8           HB2      LYS   8  13.495   4.809   0.301
   46    HB3  LYS   8           HB1      LYS   8  12.509   3.461   0.866
   47    HG2  LYS   8           HG2      LYS   8  14.272   3.055   2.252
   48    HG3  LYS   8           HG1      LYS   8  14.956   2.291   0.826
   49    HD2  LYS   8           HD2      LYS   8  15.383   5.188   1.617
   50    HD3  LYS   8           HD1      LYS   8  16.544   3.906   1.843
   51    HE2  LYS   8           HE2      LYS   8  17.283   4.854  -0.151
   52    HE3  LYS   8           HE1      LYS   8  16.273   3.536  -0.735
   53    HZ1  LYS   8           HZ1      LYS   8  14.793   5.969  -0.239
   54    HZ2  LYS   8           HZ2      LYS   8  14.819   4.976  -1.639
   55    HZ3  LYS   8           HZ3      LYS   8  16.016   6.163  -1.405
   56    H    ALA   9           HN       ALA   9  11.423   2.035  -0.044
   57    HA   ALA   9           HA       ALA   9  10.690  -0.169   0.341
   58    HB1  ALA   9           HB1      ALA   9  11.202  -1.815  -1.348
   59    HB2  ALA   9           HB2      ALA   9  12.650  -0.941  -1.844
   60    HB3  ALA   9           HB3      ALA   9  11.056  -0.267  -2.179
   61    HA   PRO  10           HA       PRO  10  14.313  -0.317   3.271
   62    HB2  PRO  10           HB2      PRO  10  12.617  -2.066   4.843
   63    HB3  PRO  10           HB1      PRO  10  13.123  -0.383   5.183
   64    HG2  PRO  10           HG2      PRO  10  10.634  -1.397   3.984
   65    HG3  PRO  10           HG1      PRO  10  10.952   0.132   4.817
   66    HD2  PRO  10           HD2      PRO  10  10.540   0.038   2.154
   67    HD3  PRO  10           HD1      PRO  10  11.688   1.193   2.870
   68    H    CGU  11           HN       CGU  11  13.450  -2.499   1.056
   69    HA   CGU  11           HA       CGU  11  14.745  -4.848   2.288
   70    HB2  CGU  11           HB1      CGU  11  13.091  -4.329  -0.176
   71    HB3  CGU  11           HB2      CGU  11  12.868  -5.558   1.063
   72    HG   CGU  11           HG       CGU  11  15.063  -5.533  -1.026
   73    H    PHE  12           HN       PHE  12  15.274  -2.109   0.253
   74    HA   PHE  12           HA       PHE  12  17.578  -3.064  -1.218
   75    HB2  PHE  12           HB2      PHE  12  17.869  -0.815  -1.867
   76    HB3  PHE  12           HB1      PHE  12  16.138  -0.864  -1.523
   77    HD1  PHE  12           HD1      PHE  12  15.467  -0.389   0.980
   78    HD2  PHE  12           HD2      PHE  12  19.191   0.800  -0.791
   79    HE1  PHE  12           HE1      PHE  12  15.785   1.275   2.781
   80    HE2  PHE  12           HE2      PHE  12  19.505   2.477   1.010
   81    HZ   PHE  12           HZ       PHE  12  17.797   2.707   2.796
   82    H    ALA  13           HN       ALA  13  17.039  -1.479   1.882
   83    HA   ALA  13           HA       ALA  13  19.667  -0.954   2.709
   84    HB1  ALA  13           HB1      ALA  13  17.890  -0.196   4.114
   85    HB2  ALA  13           HB2      ALA  13  18.714  -1.438   5.057
   86    HB3  ALA  13           HB3      ALA  13  17.196  -1.812   4.240
   87    H    ARG  14           HN       ARG  14  17.745  -3.944   3.025
   88    HA   ARG  14           HA       ARG  14  19.946  -5.427   4.163
   89    HB2  ARG  14           HB2      ARG  14  17.484  -6.624   2.873
   90    HB3  ARG  14           HB1      ARG  14  18.516  -7.334   4.107
   91    HG2  ARG  14           HG2      ARG  14  17.853  -5.611   5.702
   92    HG3  ARG  14           HG1      ARG  14  16.858  -4.826   4.463
   93    HD2  ARG  14           HD2      ARG  14  16.409  -7.726   5.139
   94    HD3  ARG  14           HD1      ARG  14  15.707  -6.463   6.152
   95    HE   ARG  14           HE       ARG  14  15.134  -6.718   3.208
   96   HH11  ARG  14          HH11      ARG  14  13.090  -7.873   4.882
   97   HH12  ARG  14          HH12      ARG  14  12.014  -6.557   5.195
   98   HH21  ARG  14          HH21      ARG  14  14.314  -4.136   4.280
   99   HH22  ARG  14          HH22      ARG  14  12.705  -4.449   4.860
  100    H    CGU  15           HN       CGU  15  18.566  -5.001   0.903
  101    HA   CGU  15           HA       CGU  15  20.084  -7.054  -0.379
  102    HB2  CGU  15           HB1      CGU  15  19.824  -5.563  -2.462
  103    HB3  CGU  15           HB2      CGU  15  18.921  -4.464  -1.419
  104    HG   CGU  15           HG       CGU  15  17.528  -6.506  -0.737
  105    H    LEU  16           HN       LEU  16  21.045  -3.925   0.797
  106    HA   LEU  16           HA       LEU  16  23.695  -4.409  -0.478
  107    HB2  LEU  16           HB2      LEU  16  24.322  -2.131   0.125
  108    HB3  LEU  16           HB1      LEU  16  22.876  -2.147  -0.895
  109    HG   LEU  16           HG       LEU  16  21.642  -2.203   1.473
  110   HD11  LEU  16          HD11      LEU  16  22.875  -1.595   3.267
  111   HD12  LEU  16          HD12      LEU  16  23.683  -0.310   2.370
  112   HD13  LEU  16          HD13      LEU  16  24.292  -1.962   2.286
  113   HD21  LEU  16          HD21      LEU  16  22.677   0.018  -0.219
  114   HD22  LEU  16          HD22      LEU  16  22.016   0.460   1.354
  115   HD23  LEU  16          HD23      LEU  16  21.015  -0.406   0.190
  116    H    ALA  17           HN       ALA  17  21.936  -4.258   2.499
  117    HA   ALA  17           HA       ALA  17  23.945  -3.992   4.430
  118    HB1  ALA  17           HB1      ALA  17  21.738  -6.085   4.454
  119    HB2  ALA  17           HB2      ALA  17  21.543  -4.412   4.980
  120    HB3  ALA  17           HB3      ALA  17  22.620  -5.493   5.861
  121    H    ASN  18           HN       ASN  18  23.102  -6.822   2.424
  122    HA   ASN  18           HA       ASN  18  25.233  -8.458   3.589
  123    HB2  ASN  18           HB2      ASN  18  24.857  -9.880   1.509
  124    HB3  ASN  18           HB1      ASN  18  23.451  -9.664   2.548
  125   HD21  ASN  18          HD21      ASN  18  24.012  -6.730   1.019
  126   HD22  ASN  18          HD22      ASN  18  22.952  -6.932  -0.318
  127    H    TYR  19           HN       TYR  19  25.253  -5.834   1.412
  128    HA   TYR  19           HA       TYR  19  28.054  -5.800   1.111
  129    HB2  TYR  19           HB2      TYR  19  28.457  -6.528  -1.105
  130    HB3  TYR  19           HB1      TYR  19  27.422  -7.778  -0.433
  131    HD1  TYR  19           HD1      TYR  19  27.639  -4.965  -2.792
  132    HD2  TYR  19           HD2      TYR  19  25.059  -7.939  -1.076
  133    HE1  TYR  19           HE1      TYR  19  25.941  -4.507  -4.544
  134    HE2  TYR  19           HE2      TYR  19  23.365  -7.478  -2.827
  135    HN1  NH2  20           HN1      NH2  20  25.247  -4.939  -0.941
  136    HN2  NH2  20           HN2      NH2  20  25.627  -3.261  -0.988
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1   6.784  11.675   3.164
    2    H2   GLY   1           HT2      GLY   1   5.743  10.676   2.244
    3    H3   GLY   1           HT3      GLY   1   7.316  11.046   1.675
    4    HA2  GLY   1           HA1      GLY   1   8.336   9.778   3.422
    5    HA3  GLY   1           HA2      GLY   1   6.760   9.508   4.166
    6    H    GLU   2           HN       GLU   2   5.109   8.537   2.570
    7    HA   GLU   2           HA       GLU   2   5.721   5.947   1.831
    8    HB2  GLU   2           HB2      GLU   2   3.945   6.801  -0.181
    9    HB3  GLU   2           HB1      GLU   2   3.515   6.081   1.367
   10    HG2  GLU   2           HG2      GLU   2   2.393   8.301   0.893
   11    HG3  GLU   2           HG1      GLU   2   3.293   8.250   2.405
   12    H    CGU   3           HN       CGU   3   5.554   8.598  -0.570
   13    HA   CGU   3           HA       CGU   3   6.794   7.156  -2.673
   14    HB2  CGU   3           HB1      CGU   3   6.769  10.153  -2.130
   15    HB3  CGU   3           HB2      CGU   3   5.578   9.240  -3.097
   16    HG   CGU   3           HG       CGU   3   8.549   9.425  -3.723
   17    H    CGU   4           HN       CGU   4   8.190   9.371  -0.249
   18    HA   CGU   4           HA       CGU   4  10.890   9.253  -1.099
   19    HB2  CGU   4           HB1      CGU   4  11.394   9.703   1.342
   20    HB3  CGU   4           HB2      CGU   4   9.681   9.499   1.676
   21    HG   CGU   4           HG       CGU   4  10.966  11.598  -0.102
   22    H    LEU   5           HN       LEU   5   9.027   7.169   1.107
   23    HA   LEU   5           HA       LEU   5  11.213   5.299   1.530
   24    HB2  LEU   5           HB2      LEU   5   8.201   4.999   1.869
   25    HB3  LEU   5           HB1      LEU   5   9.403   3.791   2.399
   26    HG   LEU   5           HG       LEU   5   9.534   6.678   3.309
   27   HD11  LEU   5          HD11      LEU   5   8.123   4.364   4.675
   28   HD12  LEU   5          HD12      LEU   5   7.320   5.742   3.921
   29   HD13  LEU   5          HD13      LEU   5   8.340   5.983   5.340
   30   HD21  LEU   5          HD21      LEU   5  11.098   5.901   4.842
   31   HD22  LEU   5          HD22      LEU   5  11.405   4.788   3.510
   32   HD23  LEU   5          HD23      LEU   5  10.414   4.277   4.874
   33    H    ALA   6           HN       ALA   6   8.385   5.484  -0.648
   34    HA   ALA   6           HA       ALA   6   8.743   2.957  -1.941
   35    HB1  ALA   6           HB1      ALA   6   7.868   5.472  -3.380
   36    HB2  ALA   6           HB2      ALA   6   6.820   4.662  -2.215
   37    HB3  ALA   6           HB3      ALA   6   7.344   3.812  -3.670
   38    H    CGU   7           HN       CGU   7  10.280   6.103  -2.477
   39    HA   CGU   7           HA       CGU   7  11.798   5.228  -4.811
   40    HB2  CGU   7           HB1      CGU   7  13.085   7.347  -4.400
   41    HB3  CGU   7           HB2      CGU   7  12.166   7.574  -2.914
   42    HG   CGU   7           HG       CGU   7  10.063   7.389  -4.445
   43    H    LYS   8           HN       LYS   8  11.919   4.279  -1.670
   44    HA   LYS   8           HA       LYS   8  14.878   3.795  -1.755
   45    HB2  LYS   8           HB2      LYS   8  14.251   5.374   0.040
   46    HB3  LYS   8           HB1      LYS   8  13.116   4.182   0.677
   47    HG2  LYS   8           HG2      LYS   8  14.920   3.574   1.960
   48    HG3  LYS   8           HG1      LYS   8  15.329   2.647   0.525
   49    HD2  LYS   8           HD2      LYS   8  16.264   5.489   0.970
   50    HD3  LYS   8           HD1      LYS   8  17.207   4.096   1.427
   51    HE2  LYS   8           HE2      LYS   8  16.355   4.909  -1.353
   52    HE3  LYS   8           HE1      LYS   8  17.997   4.735  -0.732
   53    HZ1  LYS   8           HZ1      LYS   8  16.021   2.554  -1.180
   54    HZ2  LYS   8           HZ2      LYS   8  17.508   2.350  -0.380
   55    HZ3  LYS   8           HZ3      LYS   8  17.479   2.809  -2.016
   56    H    ALA   9           HN       ALA   9  11.869   2.547  -0.311
   57    HA   ALA   9           HA       ALA   9  11.221   0.323   0.101
   58    HB1  ALA   9           HB1      ALA   9  12.062   0.377  -2.501
   59    HB2  ALA   9           HB2      ALA   9  11.408  -1.059  -1.711
   60    HB3  ALA   9           HB3      ALA   9  13.154  -0.833  -1.827
   61    HA   PRO  10           HA       PRO  10  14.830   0.255   3.057
   62    HB2  PRO  10           HB2      PRO  10  13.163  -1.548   4.589
   63    HB3  PRO  10           HB1      PRO  10  13.618   0.144   4.960
   64    HG2  PRO  10           HG2      PRO  10  11.170  -0.921   3.711
   65    HG3  PRO  10           HG1      PRO  10  11.430   0.595   4.589
   66    HD2  PRO  10           HD2      PRO  10  11.054   0.578   1.924
   67    HD3  PRO  10           HD1      PRO  10  12.188   1.725   2.680
   68    H    CGU  11           HN       CGU  11  13.494  -2.126   1.061
   69    HA   CGU  11           HA       CGU  11  14.903  -4.415   2.105
   70    HB2  CGU  11           HB1      CGU  11  14.426  -4.658  -0.711
   71    HB3  CGU  11           HB2      CGU  11  13.017  -3.887   0.011
   72    HG   CGU  11           HG       CGU  11  12.844  -5.700   1.655
   73    H    PHE  12           HN       PHE  12  15.666  -1.646   0.053
   74    HA   PHE  12           HA       PHE  12  17.970  -2.822  -1.242
   75    HB2  PHE  12           HB2      PHE  12  18.500  -0.639  -1.927
   76    HB3  PHE  12           HB1      PHE  12  16.755  -0.528  -1.682
   77    HD1  PHE  12           HD1      PHE  12  15.988   0.080   0.752
   78    HD2  PHE  12           HD2      PHE  12  19.901   0.883  -0.812
   79    HE1  PHE  12           HE1      PHE  12  16.331   1.776   2.510
   80    HE2  PHE  12           HE2      PHE  12  20.246   2.595   0.952
   81    HZ   PHE  12           HZ       PHE  12  18.448   3.035   2.607
   82    H    ALA  13           HN       ALA  13  17.487  -1.076   1.800
   83    HA   ALA  13           HA       ALA  13  20.116  -0.757   2.687
   84    HB1  ALA  13           HB1      ALA  13  17.594  -1.452   4.225
   85    HB2  ALA  13           HB2      ALA  13  18.317   0.144   4.004
   86    HB3  ALA  13           HB3      ALA  13  19.121  -1.055   5.017
   87    H    ARG  14           HN       ARG  14  17.980  -3.561   3.383
   88    HA   ARG  14           HA       ARG  14  20.182  -5.123   4.385
   89    HB2  ARG  14           HB2      ARG  14  17.432  -6.073   3.557
   90    HB3  ARG  14           HB1      ARG  14  18.580  -6.930   4.587
   91    HG2  ARG  14           HG2      ARG  14  18.551  -4.952   6.137
   92    HG3  ARG  14           HG1      ARG  14  17.236  -4.279   5.155
   93    HD2  ARG  14           HD2      ARG  14  15.778  -6.099   5.696
   94    HD3  ARG  14           HD1      ARG  14  17.099  -7.045   6.388
   95    HE   ARG  14           HE       ARG  14  16.873  -4.576   7.825
   96   HH11  ARG  14          HH11      ARG  14  16.998  -7.415   8.905
   97   HH12  ARG  14          HH12      ARG  14  15.486  -7.513   9.737
   98   HH21  ARG  14          HH21      ARG  14  14.180  -4.728   8.174
   99   HH22  ARG  14          HH22      ARG  14  13.887  -5.988   9.320
  100    H    CGU  15           HN       CGU  15  18.531  -4.859   1.242
  101    HA   CGU  15           HA       CGU  15  19.638  -7.181   0.025
  102    HB2  CGU  15           HB1      CGU  15  19.503  -5.779  -2.148
  103    HB3  CGU  15           HB2      CGU  15  18.818  -4.515  -1.134
  104    HG   CGU  15           HG       CGU  15  17.167  -6.310  -0.308
  105    H    LEU  16           HN       LEU  16  21.131  -4.123   0.815
  106    HA   LEU  16           HA       LEU  16  23.584  -5.139  -0.540
  107    HB2  LEU  16           HB2      LEU  16  24.563  -2.931  -0.287
  108    HB3  LEU  16           HB1      LEU  16  23.036  -2.844  -1.179
  109    HG   LEU  16           HG       LEU  16  22.031  -2.441   1.257
  110   HD11  LEU  16          HD11      LEU  16  24.261  -0.765   1.923
  111   HD12  LEU  16          HD12      LEU  16  24.845  -2.419   1.727
  112   HD13  LEU  16          HD13      LEU  16  23.551  -2.070   2.873
  113   HD21  LEU  16          HD21      LEU  16  23.501  -0.089   0.136
  114   HD22  LEU  16          HD22      LEU  16  21.822  -0.215   0.663
  115   HD23  LEU  16          HD23      LEU  16  22.313  -0.894  -0.889
  116    H    ALA  17           HN       ALA  17  22.102  -4.393   2.506
  117    HA   ALA  17           HA       ALA  17  24.305  -4.210   4.234
  118    HB1  ALA  17           HB1      ALA  17  21.862  -4.217   4.939
  119    HB2  ALA  17           HB2      ALA  17  22.922  -5.177   5.969
  120    HB3  ALA  17           HB3      ALA  17  21.893  -5.973   4.779
  121    H    ASN  18           HN       ASN  18  22.912  -7.069   2.617
  122    HA   ASN  18           HA       ASN  18  24.858  -8.878   3.862
  123    HB2  ASN  18           HB2      ASN  18  24.114 -10.448   1.991
  124    HB3  ASN  18           HB1      ASN  18  22.854  -9.921   3.103
  125   HD21  ASN  18          HD21      ASN  18  23.684  -7.289   1.186
  126   HD22  ASN  18          HD22      ASN  18  22.480  -7.471  -0.025
  127    H    TYR  19           HN       TYR  19  25.087  -6.542   1.404
  128    HA   TYR  19           HA       TYR  19  27.826  -6.958   0.916
  129    HB2  TYR  19           HB2      TYR  19  27.937  -7.930  -1.249
  130    HB3  TYR  19           HB1      TYR  19  26.859  -8.978  -0.341
  131    HD1  TYR  19           HD1      TYR  19  24.407  -8.865  -0.696
  132    HD2  TYR  19           HD2      TYR  19  27.141  -6.563  -3.074
  133    HE1  TYR  19           HE1      TYR  19  22.602  -8.417  -2.334
  134    HE2  TYR  19           HE2      TYR  19  25.334  -6.118  -4.716
  135    HN1  NH2  20           HN1      NH2  20  25.016  -5.931  -1.054
  136    HN2  NH2  20           HN2      NH2  20  25.623  -4.345  -1.332
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1  10.136   9.984   3.275
    2    H2   GLY   1           HT2      GLY   1   9.495  11.561   3.280
    3    H3   GLY   1           HT3      GLY   1   9.552  10.674   1.833
    4    HA2  GLY   1           HA1      GLY   1   8.027   9.653   4.143
    5    HA3  GLY   1           HA2      GLY   1   7.324  10.857   3.072
    6    H    GLU   2           HN       GLU   2   5.762   9.479   2.192
    7    HA   GLU   2           HA       GLU   2   5.882   6.867   1.355
    8    HB2  GLU   2           HB2      GLU   2   3.901   8.375   1.175
    9    HB3  GLU   2           HB1      GLU   2   4.622   9.101  -0.262
   10    HG2  GLU   2           HG2      GLU   2   2.993   7.341  -0.872
   11    HG3  GLU   2           HG1      GLU   2   4.622   6.900  -1.382
   12    H    CGU   3           HN       CGU   3   6.576   9.508  -0.993
   13    HA   CGU   3           HA       CGU   3   7.587   7.869  -3.027
   14    HB2  CGU   3           HB1      CGU   3   9.225  10.127  -3.188
   15    HB3  CGU   3           HB2      CGU   3   7.764  10.727  -2.362
   16    HG   CGU   3           HG       CGU   3   6.369  10.182  -4.179
   17    H    CGU   4           HN       CGU   4   9.483   9.587  -0.526
   18    HA   CGU   4           HA       CGU   4  12.006   8.449  -1.044
   19    HB2  CGU   4           HB1      CGU   4  10.634   9.400   1.452
   20    HB3  CGU   4           HB2      CGU   4  12.012  10.108   0.620
   21    HG   CGU   4           HG       CGU   4  12.105   7.440   2.070
   22    H    LEU   5           HN       LEU   5   9.368   7.222   1.054
   23    HA   LEU   5           HA       LEU   5  10.690   4.757   1.704
   24    HB2  LEU   5           HB2      LEU   5   8.943   4.796   3.111
   25    HB3  LEU   5           HB1      LEU   5   8.105   6.009   2.113
   26    HG   LEU   5           HG       LEU   5   7.295   4.223   0.632
   27   HD11  LEU   5          HD11      LEU   5   8.231   2.161   0.650
   28   HD12  LEU   5          HD12      LEU   5   7.798   1.957   2.346
   29   HD13  LEU   5          HD13      LEU   5   9.338   2.698   1.915
   30   HD21  LEU   5          HD21      LEU   5   6.489   4.815   3.231
   31   HD22  LEU   5          HD22      LEU   5   6.473   3.053   3.170
   32   HD23  LEU   5          HD23      LEU   5   5.528   3.984   2.008
   33    H    ALA   6           HN       ALA   6   8.344   5.654  -0.850
   34    HA   ALA   6           HA       ALA   6   8.230   3.052  -2.082
   35    HB1  ALA   6           HB1      ALA   6   8.006   5.723  -3.506
   36    HB2  ALA   6           HB2      ALA   6   6.700   5.032  -2.543
   37    HB3  ALA   6           HB3      ALA   6   7.273   4.191  -3.983
   38    H    CGU   7           HN       CGU   7  10.462   5.765  -2.436
   39    HA   CGU   7           HA       CGU   7  11.979   4.451  -4.594
   40    HB2  CGU   7           HB1      CGU   7  13.429   6.428  -4.446
   41    HB3  CGU   7           HB2      CGU   7  12.647   6.915  -2.944
   42    HG   CGU   7           HG       CGU   7  10.445   6.842  -4.400
   43    H    LYS   8           HN       LYS   8  11.652   3.905  -1.396
   44    HA   LYS   8           HA       LYS   8  14.534   3.281  -0.889
   45    HB2  LYS   8           HB2      LYS   8  13.257   4.661   0.796
   46    HB3  LYS   8           HB1      LYS   8  12.222   3.258   1.065
   47    HG2  LYS   8           HG2      LYS   8  13.769   2.710   2.643
   48    HG3  LYS   8           HG1      LYS   8  14.679   2.108   1.263
   49    HD2  LYS   8           HD2      LYS   8  14.941   4.814   2.597
   50    HD3  LYS   8           HD1      LYS   8  16.148   3.553   2.521
   51    HE2  LYS   8           HE2      LYS   8  16.621   3.945   0.260
   52    HE3  LYS   8           HE1      LYS   8  15.087   4.770  -0.008
   53    HZ1  LYS   8           HZ1      LYS   8  17.039   6.276   0.154
   54    HZ2  LYS   8           HZ2      LYS   8  17.201   5.816   1.783
   55    HZ3  LYS   8           HZ3      LYS   8  15.787   6.624   1.260
   56    H    ALA   9           HN       ALA   9  11.345   1.843  -0.207
   57    HA   ALA   9           HA       ALA   9  10.689  -0.419  -0.199
   58    HB1  ALA   9           HB1      ALA   9  13.084  -1.181  -1.838
   59    HB2  ALA   9           HB2      ALA   9  11.876  -0.130  -2.576
   60    HB3  ALA   9           HB3      ALA   9  11.412  -1.725  -1.982
   61    HA   PRO  10           HA       PRO  10  13.619  -0.563   3.428
   62    HB2  PRO  10           HB2      PRO  10  11.751  -2.511   4.486
   63    HB3  PRO  10           HB1      PRO  10  12.054  -0.829   5.027
   64    HG2  PRO  10           HG2      PRO  10   9.969  -1.892   3.236
   65    HG3  PRO  10           HG1      PRO  10   9.975  -0.423   4.224
   66    HD2  PRO  10           HD2      PRO  10  10.166  -0.290   1.548
   67    HD3  PRO  10           HD1      PRO  10  11.079   0.836   2.583
   68    H    CGU  11           HN       CGU  11  13.352  -2.665   0.963
   69    HA   CGU  11           HA       CGU  11  14.617  -4.959   2.343
   70    HB2  CGU  11           HB1      CGU  11  14.465  -5.293  -0.501
   71    HB3  CGU  11           HB2      CGU  11  12.908  -4.680   0.051
   72    HG   CGU  11           HG       CGU  11  12.826  -6.474   1.759
   73    H    PHE  12           HN       PHE  12  15.185  -2.146   0.401
   74    HA   PHE  12           HA       PHE  12  17.662  -2.782  -0.842
   75    HB2  PHE  12           HB2      PHE  12  17.948  -0.450  -1.102
   76    HB3  PHE  12           HB1      PHE  12  16.193  -0.619  -0.983
   77    HD1  PHE  12           HD1      PHE  12  15.194  -0.518   1.439
   78    HD2  PHE  12           HD2      PHE  12  19.060   1.005   0.372
   79    HE1  PHE  12           HE1      PHE  12  15.205   0.862   3.488
   80    HE2  PHE  12           HE2      PHE  12  19.070   2.398   2.426
   81    HZ   PHE  12           HZ       PHE  12  17.134   2.320   3.976
   82    H    ALA  13           HN       ALA  13  16.937  -1.570   2.412
   83    HA   ALA  13           HA       ALA  13  19.454  -1.058   3.448
   84    HB1  ALA  13           HB1      ALA  13  17.425  -0.740   4.771
   85    HB2  ALA  13           HB2      ALA  13  18.523  -1.799   5.654
   86    HB3  ALA  13           HB3      ALA  13  17.136  -2.479   4.805
   87    H    ARG  14           HN       ARG  14  17.817  -4.249   3.549
   88    HA   ARG  14           HA       ARG  14  20.256  -5.579   4.354
   89    HB2  ARG  14           HB2      ARG  14  17.748  -6.915   3.322
   90    HB3  ARG  14           HB1      ARG  14  18.979  -7.592   4.385
   91    HG2  ARG  14           HG2      ARG  14  18.404  -5.997   6.133
   92    HG3  ARG  14           HG1      ARG  14  17.227  -5.216   5.066
   93    HD2  ARG  14           HD2      ARG  14  16.362  -7.788   4.920
   94    HD3  ARG  14           HD1      ARG  14  17.014  -7.774   6.561
   95    HE   ARG  14           HE       ARG  14  15.057  -6.587   7.128
   96   HH11  ARG  14          HH11      ARG  14  14.008  -6.920   4.293
   97   HH12  ARG  14          HH12      ARG  14  13.672  -5.272   3.882
   98   HH21  ARG  14          HH21      ARG  14  15.562  -3.979   6.441
   99   HH22  ARG  14          HH22      ARG  14  14.577  -3.616   5.049
  100    H    CGU  15           HN       CGU  15  18.501  -5.097   1.300
  101    HA   CGU  15           HA       CGU  15  19.955  -6.998  -0.253
  102    HB2  CGU  15           HB1      CGU  15  19.363  -5.474  -2.210
  103    HB3  CGU  15           HB2      CGU  15  18.623  -4.393  -1.030
  104    HG   CGU  15           HG       CGU  15  17.316  -6.439  -0.204
  105    H    LEU  16           HN       LEU  16  20.893  -3.903   1.012
  106    HA   LEU  16           HA       LEU  16  23.411  -4.159  -0.559
  107    HB2  LEU  16           HB2      LEU  16  23.983  -1.891   0.100
  108    HB3  LEU  16           HB1      LEU  16  22.424  -1.921  -0.735
  109    HG   LEU  16           HG       LEU  16  21.545  -2.207   1.800
  110   HD11  LEU  16          HD11      LEU  16  23.996  -0.441   2.057
  111   HD12  LEU  16          HD12      LEU  16  23.913  -2.094   2.663
  112   HD13  LEU  16          HD13      LEU  16  22.851  -0.857   3.331
  113   HD21  LEU  16          HD21      LEU  16  22.352   0.503   0.725
  114   HD22  LEU  16          HD22      LEU  16  20.955   0.110   1.726
  115   HD23  LEU  16          HD23      LEU  16  21.015  -0.427   0.049
  116    H    ALA  17           HN       ALA  17  21.956  -4.267   2.591
  117    HA   ALA  17           HA       ALA  17  24.145  -4.005   4.315
  118    HB1  ALA  17           HB1      ALA  17  22.068  -6.221   4.452
  119    HB2  ALA  17           HB2      ALA  17  21.831  -4.586   5.073
  120    HB3  ALA  17           HB3      ALA  17  23.053  -5.633   5.790
  121    H    ASN  18           HN       ASN  18  23.237  -6.752   2.229
  122    HA   ASN  18           HA       ASN  18  25.554  -8.337   3.068
  123    HB2  ASN  18           HB2      ASN  18  25.015  -9.653   0.943
  124    HB3  ASN  18           HB1      ASN  18  23.746  -9.596   2.163
  125   HD21  ASN  18          HD21      ASN  18  23.988  -6.549   0.740
  126   HD22  ASN  18          HD22      ASN  18  22.757  -6.731  -0.445
  127    H    TYR  19           HN       TYR  19  25.226  -5.597   1.079
  128    HA   TYR  19           HA       TYR  19  27.967  -5.404   0.473
  129    HB2  TYR  19           HB2      TYR  19  28.154  -5.966  -1.818
  130    HB3  TYR  19           HB1      TYR  19  27.272  -7.315  -1.121
  131    HD1  TYR  19           HD1      TYR  19  24.825  -7.515  -1.448
  132    HD2  TYR  19           HD2      TYR  19  27.104  -4.423  -3.365
  133    HE1  TYR  19           HE1      TYR  19  22.921  -7.057  -2.966
  134    HE2  TYR  19           HE2      TYR  19  25.196  -3.967  -4.890
  135    HN1  NH2  20           HN1      NH2  20  24.927  -4.571  -1.233
  136    HN2  NH2  20           HN2      NH2  20  25.227  -2.875  -1.211
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1   8.613  11.361   3.225
    2    H2   GLY   1           HT2      GLY   1   9.016  10.332   1.932
    3    H3   GLY   1           HT3      GLY   1   9.619  10.019   3.492
    4    HA2  GLY   1           HA1      GLY   1   7.763   8.992   4.165
    5    HA3  GLY   1           HA2      GLY   1   6.737  10.167   3.351
    6    H    GLU   2           HN       GLU   2   5.394   8.848   2.178
    7    HA   GLU   2           HA       GLU   2   5.723   6.384   1.050
    8    HB2  GLU   2           HB2      GLU   2   3.628   7.558   0.853
    9    HB3  GLU   2           HB1      GLU   2   4.355   8.799  -0.166
   10    HG2  GLU   2           HG2      GLU   2   4.380   5.897  -1.001
   11    HG3  GLU   2           HG1      GLU   2   2.983   6.921  -1.322
   12    H    CGU   3           HN       CGU   3   6.396   9.298  -0.950
   13    HA   CGU   3           HA       CGU   3   7.611   7.945  -3.074
   14    HB2  CGU   3           HB1      CGU   3   9.085  10.317  -2.905
   15    HB3  CGU   3           HB2      CGU   3   7.532  10.716  -2.126
   16    HG   CGU   3           HG       CGU   3   6.294  10.239  -4.077
   17    H    CGU   4           HN       CGU   4   9.295   9.515  -0.315
   18    HA   CGU   4           HA       CGU   4  11.888   8.527  -0.860
   19    HB2  CGU   4           HB1      CGU   4  10.458   9.166   1.724
   20    HB3  CGU   4           HB2      CGU   4  11.724  10.092   0.923
   21    HG   CGU   4           HG       CGU   4  12.074   7.371   2.234
   22    H    LEU   5           HN       LEU   5   9.251   7.079   1.079
   23    HA   LEU   5           HA       LEU   5  10.582   4.611   1.645
   24    HB2  LEU   5           HB2      LEU   5   7.659   5.349   1.324
   25    HB3  LEU   5           HB1      LEU   5   8.176   3.693   1.743
   26    HG   LEU   5           HG       LEU   5   9.035   6.156   3.297
   27   HD11  LEU   5          HD11      LEU   5   7.300   5.712   4.866
   28   HD12  LEU   5          HD12      LEU   5   6.910   4.167   4.112
   29   HD13  LEU   5          HD13      LEU   5   6.516   5.675   3.289
   30   HD21  LEU   5          HD21      LEU   5  10.532   4.517   3.926
   31   HD22  LEU   5          HD22      LEU   5   9.436   3.202   3.495
   32   HD23  LEU   5          HD23      LEU   5   9.206   4.085   5.004
   33    H    ALA   6           HN       ALA   6   8.465   5.589  -1.077
   34    HA   ALA   6           HA       ALA   6   8.664   3.072  -2.488
   35    HB1  ALA   6           HB1      ALA   6   7.870   4.347  -4.434
   36    HB2  ALA   6           HB2      ALA   6   8.272   5.864  -3.627
   37    HB3  ALA   6           HB3      ALA   6   6.975   4.847  -2.997
   38    H    CGU   7           HN       CGU   7  10.596   6.035  -2.510
   39    HA   CGU   7           HA       CGU   7  12.477   5.026  -4.531
   40    HB2  CGU   7           HB1      CGU   7  13.692   7.097  -4.095
   41    HB3  CGU   7           HB2      CGU   7  12.761   7.373  -2.627
   42    HG   CGU   7           HG       CGU   7  10.685   7.328  -4.224
   43    H    LYS   8           HN       LYS   8  11.890   3.691  -1.836
   44    HA   LYS   8           HA       LYS   8  14.739   3.321  -1.046
   45    HB2  LYS   8           HB2      LYS   8  13.528   4.881   0.546
   46    HB3  LYS   8           HB1      LYS   8  12.490   3.517   0.959
   47    HG2  LYS   8           HG2      LYS   8  14.101   3.072   2.514
   48    HG3  LYS   8           HG1      LYS   8  14.930   2.343   1.147
   49    HD2  LYS   8           HD2      LYS   8  15.271   5.210   2.075
   50    HD3  LYS   8           HD1      LYS   8  16.409   3.919   2.357
   51    HE2  LYS   8           HE2      LYS   8  17.340   4.915   0.482
   52    HE3  LYS   8           HE1      LYS   8  16.349   3.664  -0.261
   53    HZ1  LYS   8           HZ1      LYS   8  16.218   6.339  -0.784
   54    HZ2  LYS   8           HZ2      LYS   8  14.882   6.098   0.245
   55    HZ3  LYS   8           HZ3      LYS   8  15.029   5.200  -1.211
   56    H    ALA   9           HN       ALA   9  11.514   2.087  -0.129
   57    HA   ALA   9           HA       ALA   9  10.774  -0.143   0.058
   58    HB1  ALA   9           HB1      ALA   9  12.642  -1.625  -1.454
   59    HB2  ALA   9           HB2      ALA   9  12.505  -0.073  -2.282
   60    HB3  ALA   9           HB3      ALA   9  11.064  -1.051  -2.000
   61    HA   PRO  10           HA       PRO  10  13.914  -0.183   3.516
   62    HB2  PRO  10           HB2      PRO  10  12.025  -1.953   4.820
   63    HB3  PRO  10           HB1      PRO  10  12.436  -0.254   5.217
   64    HG2  PRO  10           HG2      PRO  10  10.198  -1.336   3.632
   65    HG3  PRO  10           HG1      PRO  10  10.332   0.196   4.510
   66    HD2  PRO  10           HD2      PRO  10  10.363   0.133   1.825
   67    HD3  PRO  10           HD1      PRO  10  11.384   1.282   2.721
   68    H    CGU  11           HN       CGU  11  13.387  -2.426   1.228
   69    HA   CGU  11           HA       CGU  11  14.635  -4.669   2.695
   70    HB2  CGU  11           HB1      CGU  11  14.241  -5.248  -0.078
   71    HB3  CGU  11           HB2      CGU  11  12.766  -4.494   0.523
   72    HG   CGU  11           HG       CGU  11  12.674  -6.109   2.370
   73    H    PHE  12           HN       PHE  12  15.196  -2.038   0.530
   74    HA   PHE  12           HA       PHE  12  17.553  -2.940  -0.816
   75    HB2  PHE  12           HB2      PHE  12  17.892  -0.676  -1.378
   76    HB3  PHE  12           HB1      PHE  12  16.149  -0.739  -1.102
   77    HD1  PHE  12           HD1      PHE  12  15.412  -0.382   1.423
   78    HD2  PHE  12           HD2      PHE  12  19.133   0.959  -0.246
   79    HE1  PHE  12           HE1      PHE  12  15.648   1.240   3.272
   80    HE2  PHE  12           HE2      PHE  12  19.366   2.593   1.606
   81    HZ   PHE  12           HZ       PHE  12  17.616   2.724   3.362
   82    H    ALA  13           HN       ALA  13  17.049  -1.417   2.339
   83    HA   ALA  13           HA       ALA  13  19.645  -0.875   3.165
   84    HB1  ALA  13           HB1      ALA  13  18.034  -2.232   5.236
   85    HB2  ALA  13           HB2      ALA  13  17.177  -0.939   4.395
   86    HB3  ALA  13           HB3      ALA  13  18.700  -0.597   5.219
   87    H    ARG  14           HN       ARG  14  17.914  -3.978   3.669
   88    HA   ARG  14           HA       ARG  14  20.354  -5.318   4.462
   89    HB2  ARG  14           HB2      ARG  14  17.754  -6.663   3.702
   90    HB3  ARG  14           HB1      ARG  14  19.021  -7.269   4.764
   91    HG2  ARG  14           HG2      ARG  14  18.581  -5.507   6.376
   92    HG3  ARG  14           HG1      ARG  14  17.384  -4.778   5.295
   93    HD2  ARG  14           HD2      ARG  14  16.364  -7.265   5.409
   94    HD3  ARG  14           HD1      ARG  14  17.169  -7.235   6.979
   95    HE   ARG  14           HE       ARG  14  15.245  -6.013   7.620
   96   HH11  ARG  14          HH11      ARG  14  14.670  -5.874   4.486
   97   HH12  ARG  14          HH12      ARG  14  14.364  -4.158   4.373
   98   HH21  ARG  14          HH21      ARG  14  15.588  -3.450   7.487
   99   HH22  ARG  14          HH22      ARG  14  14.860  -2.825   6.045
  100    H    CGU  15           HN       CGU  15  18.432  -5.067   1.476
  101    HA   CGU  15           HA       CGU  15  19.737  -7.159   0.040
  102    HB2  CGU  15           HB1      CGU  15  19.075  -5.823  -2.020
  103    HB3  CGU  15           HB2      CGU  15  18.450  -4.594  -0.922
  104    HG   CGU  15           HG       CGU  15  17.137  -6.504   0.196
  105    H    LEU  16           HN       LEU  16  20.840  -3.992   0.945
  106    HA   LEU  16           HA       LEU  16  23.251  -4.488  -0.731
  107    HB2  LEU  16           HB2      LEU  16  23.934  -2.194  -0.325
  108    HB3  LEU  16           HB1      LEU  16  22.330  -2.243  -1.071
  109    HG   LEU  16           HG       LEU  16  21.595  -2.260   1.531
  110   HD11  LEU  16          HD11      LEU  16  24.124  -0.590   1.450
  111   HD12  LEU  16          HD12      LEU  16  23.982  -2.142   2.275
  112   HD13  LEU  16          HD13      LEU  16  23.026  -0.763   2.818
  113   HD21  LEU  16          HD21      LEU  16  21.107  -0.621  -0.434
  114   HD22  LEU  16          HD22      LEU  16  22.397   0.356   0.271
  115   HD23  LEU  16          HD23      LEU  16  20.955  -0.019   1.217
  116    H    ALA  17           HN       ALA  17  21.990  -4.226   2.497
  117    HA   ALA  17           HA       ALA  17  24.294  -3.882   4.049
  118    HB1  ALA  17           HB1      ALA  17  23.243  -5.295   5.754
  119    HB2  ALA  17           HB2      ALA  17  22.160  -5.989   4.549
  120    HB3  ALA  17           HB3      ALA  17  22.008  -4.289   4.998
  121    H    ASN  18           HN       ASN  18  23.160  -6.784   2.308
  122    HA   ASN  18           HA       ASN  18  25.464  -8.374   3.172
  123    HB2  ASN  18           HB2      ASN  18  24.767  -9.878   1.245
  124    HB3  ASN  18           HB1      ASN  18  23.538  -9.618   2.479
  125   HD21  ASN  18          HD21      ASN  18  23.817  -6.746   0.787
  126   HD22  ASN  18          HD22      ASN  18  22.571  -7.003  -0.370
  127    H    TYR  19           HN       TYR  19  25.107  -5.834   0.925
  128    HA   TYR  19           HA       TYR  19  27.818  -5.822   0.151
  129    HB2  TYR  19           HB2      TYR  19  27.840  -6.635  -2.068
  130    HB3  TYR  19           HB1      TYR  19  26.927  -7.851  -1.188
  131    HD1  TYR  19           HD1      TYR  19  26.757  -5.115  -3.641
  132    HD2  TYR  19           HD2      TYR  19  24.495  -8.023  -1.436
  133    HE1  TYR  19           HE1      TYR  19  24.799  -4.712  -5.113
  134    HE2  TYR  19           HE2      TYR  19  22.540  -7.620  -2.907
  135    HN1  NH2  20           HN1      NH2  20  24.694  -5.018  -1.402
  136    HN2  NH2  20           HN2      NH2  20  25.069  -3.350  -1.599
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1   7.113  10.214   5.352
    2    H2   GLY   1           HT2      GLY   1   6.273   9.690   3.960
    3    H3   GLY   1           HT3      GLY   1   7.682  10.645   3.812
    4    HA2  GLY   1           HA1      GLY   1   9.109   8.932   4.388
    5    HA3  GLY   1           HA2      GLY   1   7.817   8.031   5.179
    6    H    GLU   2           HN       GLU   2   5.911   7.577   3.521
    7    HA   GLU   2           HA       GLU   2   6.564   5.621   1.716
    8    HB2  GLU   2           HB2      GLU   2   4.505   7.030   0.393
    9    HB3  GLU   2           HB1      GLU   2   4.324   5.676   1.505
   10    HG2  GLU   2           HG2      GLU   2   2.995   7.720   2.152
   11    HG3  GLU   2           HG1      GLU   2   4.111   7.176   3.400
   12    H    CGU   3           HN       CGU   3   6.030   8.978   0.662
   13    HA   CGU   3           HA       CGU   3   6.752   8.855  -1.986
   14    HB2  CGU   3           HB1      CGU   3   7.666  11.027  -0.059
   15    HB3  CGU   3           HB2      CGU   3   6.028  10.912  -0.746
   16    HG   CGU   3           HG       CGU   3   7.279  12.511  -2.054
   17    H    CGU   4           HN       CGU   4   9.052   9.063   0.737
   18    HA   CGU   4           HA       CGU   4  11.325   8.762  -1.128
   19    HB2  CGU   4           HB1      CGU   4  11.050   9.186   1.844
   20    HB3  CGU   4           HB2      CGU   4  11.958  10.135   0.668
   21    HG   CGU   4           HG       CGU   4  12.671   7.377   1.732
   22    H    LEU   5           HN       LEU   5   9.668   6.950   1.447
   23    HA   LEU   5           HA       LEU   5  11.267   4.603   1.313
   24    HB2  LEU   5           HB2      LEU   5   8.342   4.974   2.017
   25    HB3  LEU   5           HB1      LEU   5   9.214   3.432   2.217
   26    HG   LEU   5           HG       LEU   5  10.227   6.023   3.423
   27   HD11  LEU   5          HD11      LEU   5   8.442   3.943   4.727
   28   HD12  LEU   5          HD12      LEU   5   7.941   5.572   4.275
   29   HD13  LEU   5          HD13      LEU   5   9.160   5.341   5.528
   30   HD21  LEU   5          HD21      LEU   5  10.651   3.114   4.179
   31   HD22  LEU   5          HD22      LEU   5  11.482   4.509   4.858
   32   HD23  LEU   5          HD23      LEU   5  11.762   4.049   3.181
   33    H    ALA   6           HN       ALA   6   8.413   5.607  -0.599
   34    HA   ALA   6           HA       ALA   6   7.974   3.207  -2.045
   35    HB1  ALA   6           HB1      ALA   6   6.414   4.734  -2.736
   36    HB2  ALA   6           HB2      ALA   6   7.598   5.090  -3.994
   37    HB3  ALA   6           HB3      ALA   6   7.520   6.096  -2.549
   38    H    CGU   7           HN       CGU   7  10.384   5.755  -2.630
   39    HA   CGU   7           HA       CGU   7  11.546   4.168  -4.854
   40    HB2  CGU   7           HB1      CGU   7  12.482   6.081  -5.590
   41    HB3  CGU   7           HB2      CGU   7  13.123   6.468  -3.997
   42    HG   CGU   7           HG       CGU   7  10.993   7.400  -3.316
   43    H    LYS   8           HN       LYS   8  11.579   3.694  -1.778
   44    HA   LYS   8           HA       LYS   8  14.522   3.158  -1.572
   45    HB2  LYS   8           HB2      LYS   8  13.582   4.804   0.096
   46    HB3  LYS   8           HB1      LYS   8  12.584   3.489   0.714
   47    HG2  LYS   8           HG2      LYS   8  14.372   3.063   2.058
   48    HG3  LYS   8           HG1      LYS   8  14.998   2.262   0.625
   49    HD2  LYS   8           HD2      LYS   8  15.479   5.185   1.251
   50    HD3  LYS   8           HD1      LYS   8  16.599   3.915   1.662
   51    HE2  LYS   8           HE2      LYS   8  17.472   4.567  -0.375
   52    HE3  LYS   8           HE1      LYS   8  16.362   3.302  -0.904
   53    HZ1  LYS   8           HZ1      LYS   8  16.345   5.799  -1.864
   54    HZ2  LYS   8           HZ2      LYS   8  15.193   5.962  -0.617
   55    HZ3  LYS   8           HZ3      LYS   8  14.975   4.797  -1.850
   56    H    ALA   9           HN       ALA   9  11.443   1.998  -0.201
   57    HA   ALA   9           HA       ALA   9  10.756  -0.204   0.284
   58    HB1  ALA   9           HB1      ALA   9  12.694  -0.950  -1.935
   59    HB2  ALA   9           HB2      ALA   9  11.038  -0.411  -2.214
   60    HB3  ALA   9           HB3      ALA   9  11.340  -1.917  -1.349
   61    HA   PRO  10           HA       PRO  10  14.430  -0.239   3.157
   62    HB2  PRO  10           HB2      PRO  10  12.775  -1.945   4.815
   63    HB3  PRO  10           HB1      PRO  10  13.282  -0.250   5.096
   64    HG2  PRO  10           HG2      PRO  10  10.768  -1.307   3.996
   65    HG3  PRO  10           HG1      PRO  10  11.106   0.254   4.760
   66    HD2  PRO  10           HD2      PRO  10  10.624   0.045   2.109
   67    HD3  PRO  10           HD1      PRO  10  11.766   1.245   2.754
   68    H    CGU  11           HN       CGU  11  13.481  -2.499   1.044
   69    HA   CGU  11           HA       CGU  11  14.797  -4.824   2.288
   70    HB2  CGU  11           HB1      CGU  11  13.100  -4.309  -0.142
   71    HB3  CGU  11           HB2      CGU  11  12.923  -5.554   1.087
   72    HG   CGU  11           HG       CGU  11  15.071  -5.492  -1.050
   73    H    PHE  12           HN       PHE  12  15.315  -2.132   0.152
   74    HA   PHE  12           HA       PHE  12  17.615  -3.145  -1.283
   75    HB2  PHE  12           HB2      PHE  12  17.899  -0.931  -2.031
   76    HB3  PHE  12           HB1      PHE  12  16.176  -0.946  -1.650
   77    HD1  PHE  12           HD1      PHE  12  15.564  -0.370   0.845
   78    HD2  PHE  12           HD2      PHE  12  19.256   0.719  -1.052
   79    HE1  PHE  12           HE1      PHE  12  15.931   1.360   2.570
   80    HE2  PHE  12           HE2      PHE  12  19.621   2.464   0.675
   81    HZ   PHE  12           HZ       PHE  12  17.950   2.777   2.486
   82    H    ALA  13           HN       ALA  13  17.089  -1.444   1.759
   83    HA   ALA  13           HA       ALA  13  19.729  -0.920   2.562
   84    HB1  ALA  13           HB1      ALA  13  17.999  -0.059   3.945
   85    HB2  ALA  13           HB2      ALA  13  18.750  -1.314   4.931
   86    HB3  ALA  13           HB3      ALA  13  17.226  -1.637   4.105
   87    H    ARG  14           HN       ARG  14  17.770  -3.877   2.923
   88    HA   ARG  14           HA       ARG  14  19.942  -5.333   4.169
   89    HB2  ARG  14           HB2      ARG  14  17.504  -6.591   2.899
   90    HB3  ARG  14           HB1      ARG  14  18.503  -7.218   4.206
   91    HG2  ARG  14           HG2      ARG  14  17.788  -5.401   5.671
   92    HG3  ARG  14           HG1      ARG  14  16.825  -4.703   4.358
   93    HD2  ARG  14           HD2      ARG  14  15.882  -7.267   4.373
   94    HD3  ARG  14           HD1      ARG  14  16.244  -7.039   6.086
   95    HE   ARG  14           HE       ARG  14  14.021  -5.873   4.716
   96   HH11  ARG  14          HH11      ARG  14  14.480  -6.076   7.709
   97   HH12  ARG  14          HH12      ARG  14  14.501  -4.405   8.149
   98   HH21  ARG  14          HH21      ARG  14  14.931  -3.297   4.897
   99   HH22  ARG  14          HH22      ARG  14  14.752  -2.834   6.566
  100    H    CGU  15           HN       CGU  15  18.596  -4.990   0.898
  101    HA   CGU  15           HA       CGU  15  20.086  -7.091  -0.341
  102    HB2  CGU  15           HB1      CGU  15  19.876  -5.612  -2.445
  103    HB3  CGU  15           HB2      CGU  15  18.978  -4.492  -1.422
  104    HG   CGU  15           HG       CGU  15  17.538  -6.503  -0.751
  105    H    LEU  16           HN       LEU  16  21.071  -3.954   0.783
  106    HA   LEU  16           HA       LEU  16  23.730  -4.478  -0.452
  107    HB2  LEU  16           HB2      LEU  16  24.355  -2.191   0.138
  108    HB3  LEU  16           HB1      LEU  16  22.933  -2.225  -0.915
  109    HG   LEU  16           HG       LEU  16  21.624  -2.233   1.399
  110   HD11  LEU  16          HD11      LEU  16  23.292  -0.386   2.649
  111   HD12  LEU  16          HD12      LEU  16  24.392  -1.666   2.143
  112   HD13  LEU  16          HD13      LEU  16  23.009  -2.046   3.171
  113   HD21  LEU  16          HD21      LEU  16  21.475   0.211   1.253
  114   HD22  LEU  16          HD22      LEU  16  21.498  -0.490  -0.366
  115   HD23  LEU  16          HD23      LEU  16  22.953   0.258   0.291
  116    H    ALA  17           HN       ALA  17  21.939  -4.275   2.506
  117    HA   ALA  17           HA       ALA  17  23.933  -3.993   4.453
  118    HB1  ALA  17           HB1      ALA  17  21.701  -6.059   4.486
  119    HB2  ALA  17           HB2      ALA  17  21.526  -4.377   4.991
  120    HB3  ALA  17           HB3      ALA  17  22.579  -5.463   5.894
  121    H    ASN  18           HN       ASN  18  23.090  -6.851   2.483
  122    HA   ASN  18           HA       ASN  18  25.202  -8.478   3.699
  123    HB2  ASN  18           HB2      ASN  18  24.825  -9.945   1.652
  124    HB3  ASN  18           HB1      ASN  18  23.417  -9.697   2.682
  125   HD21  ASN  18          HD21      ASN  18  23.995  -6.802   1.090
  126   HD22  ASN  18          HD22      ASN  18  22.938  -7.030  -0.246
  127    H    TYR  19           HN       TYR  19  25.246  -5.900   1.476
  128    HA   TYR  19           HA       TYR  19  28.048  -5.888   1.179
  129    HB2  TYR  19           HB2      TYR  19  28.435  -6.632  -1.042
  130    HB3  TYR  19           HB1      TYR  19  27.439  -7.887  -0.322
  131    HD1  TYR  19           HD1      TYR  19  27.540  -5.097  -2.719
  132    HD2  TYR  19           HD2      TYR  19  25.081  -8.142  -0.947
  133    HE1  TYR  19           HE1      TYR  19  25.813  -4.720  -4.459
  134    HE2  TYR  19           HE2      TYR  19  23.360  -7.761  -2.689
  135    HN1  NH2  20           HN1      NH2  20  25.253  -5.054  -0.895
  136    HN2  NH2  20           HN2      NH2  20  25.638  -3.379  -0.972
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1   5.913  10.965   3.178
    2    H2   GLY   1           HT2      GLY   1   6.662  10.932   1.648
    3    H3   GLY   1           HT3      GLY   1   7.356  11.825   2.927
    4    HA2  GLY   1           HA1      GLY   1   8.675   9.985   3.089
    5    HA3  GLY   1           HA2      GLY   1   7.324   9.445   4.090
    6    H    GLU   2           HN       GLU   2   5.390   8.955   2.283
    7    HA   GLU   2           HA       GLU   2   5.656   6.396   1.325
    8    HB2  GLU   2           HB2      GLU   2   3.905   6.991  -0.340
    9    HB3  GLU   2           HB1      GLU   2   3.555   7.676   1.246
   10    HG2  GLU   2           HG2      GLU   2   4.667   9.114  -1.188
   11    HG3  GLU   2           HG1      GLU   2   3.156   9.436  -0.344
   12    H    CGU   3           HN       CGU   3   6.472   9.342  -0.541
   13    HA   CGU   3           HA       CGU   3   7.414   7.915  -2.839
   14    HB2  CGU   3           HB1      CGU   3   8.872  10.292  -2.815
   15    HB3  CGU   3           HB2      CGU   3   7.392  10.703  -1.910
   16    HG   CGU   3           HG       CGU   3   5.990  10.165  -3.740
   17    H    CGU   4           HN       CGU   4   9.257   9.539  -0.206
   18    HA   CGU   4           HA       CGU   4  11.808   8.544  -0.918
   19    HB2  CGU   4           HB1      CGU   4  10.588   9.156   1.788
   20    HB3  CGU   4           HB2      CGU   4  11.729  10.136   0.868
   21    HG   CGU   4           HG       CGU   4  12.285   7.456   2.194
   22    H    LEU   5           HN       LEU   5   9.242   7.108   1.094
   23    HA   LEU   5           HA       LEU   5  10.595   4.641   1.645
   24    HB2  LEU   5           HB2      LEU   5   7.646   5.337   1.388
   25    HB3  LEU   5           HB1      LEU   5   8.224   3.725   1.890
   26    HG   LEU   5           HG       LEU   5   9.044   6.298   3.281
   27   HD11  LEU   5          HD11      LEU   5   6.848   4.326   3.985
   28   HD12  LEU   5          HD12      LEU   5   6.617   6.003   3.495
   29   HD13  LEU   5          HD13      LEU   5   7.407   5.632   5.028
   30   HD21  LEU   5          HD21      LEU   5   9.379   4.431   5.119
   31   HD22  LEU   5          HD22      LEU   5  10.605   4.659   3.872
   32   HD23  LEU   5          HD23      LEU   5   9.433   3.348   3.728
   33    H    ALA   6           HN       ALA   6   8.341   5.608  -0.975
   34    HA   ALA   6           HA       ALA   6   8.489   3.111  -2.411
   35    HB1  ALA   6           HB1      ALA   6   6.818   4.984  -2.812
   36    HB2  ALA   6           HB2      ALA   6   7.552   4.334  -4.278
   37    HB3  ALA   6           HB3      ALA   6   8.110   5.872  -3.619
   38    H    CGU   7           HN       CGU   7  10.473   6.035  -2.439
   39    HA   CGU   7           HA       CGU   7  12.240   5.037  -4.576
   40    HB2  CGU   7           HB1      CGU   7  13.484   7.088  -4.204
   41    HB3  CGU   7           HB2      CGU   7  12.673   7.353  -2.664
   42    HG   CGU   7           HG       CGU   7  10.483   7.355  -4.117
   43    H    LYS   8           HN       LYS   8  11.775   3.702  -1.840
   44    HA   LYS   8           HA       LYS   8  14.663   3.305  -1.216
   45    HB2  LYS   8           HB2      LYS   8  13.557   4.893   0.420
   46    HB3  LYS   8           HB1      LYS   8  12.539   3.543   0.914
   47    HG2  LYS   8           HG2      LYS   8  14.233   3.107   2.374
   48    HG3  LYS   8           HG1      LYS   8  14.979   2.359   0.970
   49    HD2  LYS   8           HD2      LYS   8  15.379   5.242   1.826
   50    HD3  LYS   8           HD1      LYS   8  16.524   3.954   2.087
   51    HE2  LYS   8           HE2      LYS   8  17.380   4.874   0.147
   52    HE3  LYS   8           HE1      LYS   8  16.321   3.641  -0.529
   53    HZ1  LYS   8           HZ1      LYS   8  16.235   6.325  -1.064
   54    HZ2  LYS   8           HZ2      LYS   8  14.929   6.105   0.008
   55    HZ3  LYS   8           HZ3      LYS   8  15.016   5.203  -1.450
   56    H    ALA   9           HN       ALA   9  11.490   2.113  -0.087
   57    HA   ALA   9           HA       ALA   9  10.746  -0.102   0.196
   58    HB1  ALA   9           HB1      ALA   9  11.474  -1.758  -1.446
   59    HB2  ALA   9           HB2      ALA   9  12.855  -0.757  -1.892
   60    HB3  ALA   9           HB3      ALA   9  11.219  -0.220  -2.271
   61    HA   PRO  10           HA       PRO  10  14.137  -0.211   3.393
   62    HB2  PRO  10           HB2      PRO  10  12.342  -1.988   4.818
   63    HB3  PRO  10           HB1      PRO  10  12.797  -0.299   5.203
   64    HG2  PRO  10           HG2      PRO  10  10.431  -1.343   3.791
   65    HG3  PRO  10           HG1      PRO  10  10.653   0.182   4.663
   66    HD2  PRO  10           HD2      PRO  10  10.468   0.123   1.982
   67    HD3  PRO  10           HD1      PRO  10  11.556   1.271   2.798
   68    H    CGU  11           HN       CGU  11  13.462  -2.429   1.122
   69    HA   CGU  11           HA       CGU  11  14.763  -4.707   2.496
   70    HB2  CGU  11           HB1      CGU  11  14.264  -5.143  -0.318
   71    HB3  CGU  11           HB2      CGU  11  12.805  -4.509   0.438
   72    HG   CGU  11           HG       CGU  11  12.903  -6.259   2.150
   73    H    PHE  12           HN       PHE  12  15.290  -2.020   0.390
   74    HA   PHE  12           HA       PHE  12  17.619  -2.931  -1.025
   75    HB2  PHE  12           HB2      PHE  12  17.918  -0.672  -1.628
   76    HB3  PHE  12           HB1      PHE  12  16.182  -0.741  -1.307
   77    HD1  PHE  12           HD1      PHE  12  15.472  -0.308   1.189
   78    HD2  PHE  12           HD2      PHE  12  19.215   0.931  -0.507
   79    HE1  PHE  12           HE1      PHE  12  15.752   1.328   3.020
   80    HE2  PHE  12           HE2      PHE  12  19.492   2.581   1.325
   81    HZ   PHE  12           HZ       PHE  12  17.754   2.770   3.087
   82    H    ALA  13           HN       ALA  13  17.157  -1.313   2.093
   83    HA   ALA  13           HA       ALA  13  19.789  -0.820   2.867
   84    HB1  ALA  13           HB1      ALA  13  18.059  -0.080   4.327
   85    HB2  ALA  13           HB2      ALA  13  18.904  -1.332   5.238
   86    HB3  ALA  13           HB3      ALA  13  17.366  -1.697   4.458
   87    H    ARG  14           HN       ARG  14  17.911  -3.814   3.455
   88    HA   ARG  14           HA       ARG  14  20.235  -5.245   4.390
   89    HB2  ARG  14           HB2      ARG  14  17.625  -6.472   3.479
   90    HB3  ARG  14           HB1      ARG  14  18.801  -7.144   4.601
   91    HG2  ARG  14           HG2      ARG  14  18.370  -5.341   6.188
   92    HG3  ARG  14           HG1      ARG  14  17.235  -4.589   5.053
   93    HD2  ARG  14           HD2      ARG  14  16.833  -7.446   5.915
   94    HD3  ARG  14           HD1      ARG  14  16.284  -6.122   6.947
   95    HE   ARG  14           HE       ARG  14  15.344  -6.501   4.113
   96   HH11  ARG  14          HH11      ARG  14  13.751  -7.430   6.515
   97   HH12  ARG  14          HH12      ARG  14  12.637  -6.123   6.706
   98   HH21  ARG  14          HH21      ARG  14  14.446  -3.950   4.711
   99   HH22  ARG  14          HH22      ARG  14  13.030  -4.164   5.695
  100    H    CGU  15           HN       CGU  15  18.518  -4.980   1.284
  101    HA   CGU  15           HA       CGU  15  19.828  -7.141  -0.037
  102    HB2  CGU  15           HB1      CGU  15  19.355  -5.788  -2.157
  103    HB3  CGU  15           HB2      CGU  15  18.661  -4.560  -1.101
  104    HG   CGU  15           HG       CGU  15  17.287  -6.515  -0.085
  105    H    LEU  16           HN       LEU  16  20.996  -3.991   0.860
  106    HA   LEU  16           HA       LEU  16  23.480  -4.632  -0.658
  107    HB2  LEU  16           HB2      LEU  16  24.233  -2.348  -0.269
  108    HB3  LEU  16           HB1      LEU  16  22.688  -2.371  -1.129
  109    HG   LEU  16           HG       LEU  16  21.746  -2.257   1.391
  110   HD11  LEU  16          HD11      LEU  16  24.144  -0.465   1.622
  111   HD12  LEU  16          HD12      LEU  16  24.296  -2.160   2.078
  112   HD13  LEU  16          HD13      LEU  16  23.124  -1.128   2.897
  113   HD21  LEU  16          HD21      LEU  16  22.296   0.422   0.881
  114   HD22  LEU  16          HD22      LEU  16  20.905  -0.477   0.281
  115   HD23  LEU  16          HD23      LEU  16  22.351  -0.323  -0.716
  116    H    ALA  17           HN       ALA  17  22.043  -4.243   2.470
  117    HA   ALA  17           HA       ALA  17  24.257  -3.939   4.160
  118    HB1  ALA  17           HB1      ALA  17  22.034  -5.971   4.578
  119    HB2  ALA  17           HB2      ALA  17  21.887  -4.252   4.951
  120    HB3  ALA  17           HB3      ALA  17  23.045  -5.250   5.828
  121    H    ASN  18           HN       ASN  18  23.131  -6.832   2.409
  122    HA   ASN  18           HA       ASN  18  25.320  -8.480   3.452
  123    HB2  ASN  18           HB2      ASN  18  24.661  -9.992   1.482
  124    HB3  ASN  18           HB1      ASN  18  23.432  -9.715   2.714
  125   HD21  ASN  18          HD21      ASN  18  23.895  -6.890   0.885
  126   HD22  ASN  18          HD22      ASN  18  22.599  -7.110  -0.220
  127    H    TYR  19           HN       TYR  19  25.188  -5.987   1.139
  128    HA   TYR  19           HA       TYR  19  27.933  -6.092   0.519
  129    HB2  TYR  19           HB2      TYR  19  28.048  -6.920  -1.699
  130    HB3  TYR  19           HB1      TYR  19  27.095  -8.114  -0.833
  131    HD1  TYR  19           HD1      TYR  19  24.635  -8.201  -1.117
  132    HD2  TYR  19           HD2      TYR  19  27.075  -5.511  -3.408
  133    HE1  TYR  19           HE1      TYR  19  22.747  -7.818  -2.677
  134    HE2  TYR  19           HE2      TYR  19  25.184  -5.131  -4.971
  135    HN1  NH2  20           HN1      NH2  20  24.959  -5.223  -1.282
  136    HN2  NH2  20           HN2      NH2  20  25.396  -3.569  -1.465
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1   7.701  11.667   3.485
    2    H2   GLY   1           HT2      GLY   1   6.692  10.952   2.305
    3    H3   GLY   1           HT3      GLY   1   8.359  11.184   1.996
    4    HA2  GLY   1           HA1      GLY   1   9.014   9.516   3.493
    5    HA3  GLY   1           HA2      GLY   1   7.407   9.470   4.220
    6    H    GLU   2           HN       GLU   2   5.619   9.020   2.465
    7    HA   GLU   2           HA       GLU   2   5.749   6.423   1.523
    8    HB2  GLU   2           HB2      GLU   2   4.274   7.730  -0.477
    9    HB3  GLU   2           HB1      GLU   2   3.632   7.029   1.006
   10    HG2  GLU   2           HG2      GLU   2   3.005   9.461   0.613
   11    HG3  GLU   2           HG1      GLU   2   3.774   9.138   2.163
   12    H    CGU   3           HN       CGU   3   6.242   9.243  -0.632
   13    HA   CGU   3           HA       CGU   3   7.246   7.776  -2.820
   14    HB2  CGU   3           HB1      CGU   3   8.015  10.615  -2.029
   15    HB3  CGU   3           HB2      CGU   3   6.561  10.168  -2.962
   16    HG   CGU   3           HG       CGU   3   9.412   9.502  -3.782
   17    H    CGU   4           HN       CGU   4   9.061   9.401  -0.173
   18    HA   CGU   4           HA       CGU   4  11.656   8.587  -1.021
   19    HB2  CGU   4           HB1      CGU   4  10.484   9.164   1.708
   20    HB3  CGU   4           HB2      CGU   4  11.616  10.142   0.779
   21    HG   CGU   4           HG       CGU   4  12.192   7.467   2.107
   22    H    LEU   5           HN       LEU   5   9.283   7.024   1.132
   23    HA   LEU   5           HA       LEU   5  10.762   4.614   1.554
   24    HB2  LEU   5           HB2      LEU   5   7.790   5.229   1.519
   25    HB3  LEU   5           HB1      LEU   5   8.425   3.602   1.892
   26    HG   LEU   5           HG       LEU   5   9.414   6.065   3.349
   27   HD11  LEU   5          HD11      LEU   5   7.249   6.244   4.077
   28   HD12  LEU   5          HD12      LEU   5   7.740   4.922   5.135
   29   HD13  LEU   5          HD13      LEU   5   6.855   4.579   3.648
   30   HD21  LEU   5          HD21      LEU   5  10.291   3.459   3.293
   31   HD22  LEU   5          HD22      LEU   5   9.189   3.433   4.668
   32   HD23  LEU   5          HD23      LEU   5  10.541   4.565   4.643
   33    H    ALA   6           HN       ALA   6   8.395   5.596  -0.951
   34    HA   ALA   6           HA       ALA   6   8.470   3.109  -2.412
   35    HB1  ALA   6           HB1      ALA   6   6.749   4.752  -2.915
   36    HB2  ALA   6           HB2      ALA   6   7.734   4.537  -4.362
   37    HB3  ALA   6           HB3      ALA   6   7.965   5.955  -3.341
   38    H    CGU   7           HN       CGU   7  10.438   6.064  -2.594
   39    HA   CGU   7           HA       CGU   7  12.183   4.967  -4.694
   40    HB2  CGU   7           HB1      CGU   7  13.489   7.011  -4.356
   41    HB3  CGU   7           HB2      CGU   7  12.604   7.361  -2.875
   42    HG   CGU   7           HG       CGU   7  10.485   7.360  -4.374
   43    H    LYS   8           HN       LYS   8  11.748   3.703  -1.937
   44    HA   LYS   8           HA       LYS   8  14.639   3.330  -1.308
   45    HB2  LYS   8           HB2      LYS   8  13.521   4.918   0.316
   46    HB3  LYS   8           HB1      LYS   8  12.501   3.568   0.807
   47    HG2  LYS   8           HG2      LYS   8  14.185   3.138   2.281
   48    HG3  LYS   8           HG1      LYS   8  14.940   2.385   0.885
   49    HD2  LYS   8           HD2      LYS   8  15.343   5.262   1.758
   50    HD3  LYS   8           HD1      LYS   8  16.487   3.968   1.997
   51    HE2  LYS   8           HE2      LYS   8  17.328   4.942   0.068
   52    HE3  LYS   8           HE1      LYS   8  16.301   3.683  -0.611
   53    HZ1  LYS   8           HZ1      LYS   8  14.872   6.134  -0.066
   54    HZ2  LYS   8           HZ2      LYS   8  14.932   5.207  -1.509
   55    HZ3  LYS   8           HZ3      LYS   8  16.148   6.347  -1.170
   56    H    ALA   9           HN       ALA   9  11.469   2.117  -0.189
   57    HA   ALA   9           HA       ALA   9  10.743  -0.107   0.091
   58    HB1  ALA   9           HB1      ALA   9  12.892  -0.991  -1.833
   59    HB2  ALA   9           HB2      ALA   9  11.497  -0.085  -2.422
   60    HB3  ALA   9           HB3      ALA   9  11.266  -1.639  -1.620
   61    HA   PRO  10           HA       PRO  10  14.113  -0.174   3.318
   62    HB2  PRO  10           HB2      PRO  10  12.320  -1.948   4.745
   63    HB3  PRO  10           HB1      PRO  10  12.763  -0.254   5.122
   64    HG2  PRO  10           HG2      PRO  10  10.409  -1.318   3.707
   65    HG3  PRO  10           HG1      PRO  10  10.621   0.215   4.567
   66    HD2  PRO  10           HD2      PRO  10  10.449   0.133   1.883
   67    HD3  PRO  10           HD1      PRO  10  11.525   1.294   2.699
   68    H    CGU  11           HN       CGU  11  13.448  -2.402   1.057
   69    HA   CGU  11           HA       CGU  11  14.738  -4.681   2.431
   70    HB2  CGU  11           HB1      CGU  11  14.276  -5.108  -0.387
   71    HB3  CGU  11           HB2      CGU  11  12.810  -4.455   0.340
   72    HG   CGU  11           HG       CGU  11  12.846  -6.205   2.049
   73    H    PHE  12           HN       PHE  12  15.288  -1.990   0.326
   74    HA   PHE  12           HA       PHE  12  17.637  -2.902  -1.055
   75    HB2  PHE  12           HB2      PHE  12  17.949  -0.640  -1.650
   76    HB3  PHE  12           HB1      PHE  12  16.209  -0.711  -1.358
   77    HD1  PHE  12           HD1      PHE  12  19.245   0.935  -0.475
   78    HD2  PHE  12           HD2      PHE  12  15.436  -0.257   1.100
   79    HE1  PHE  12           HE1      PHE  12  19.485   2.577   1.368
   80    HE2  PHE  12           HE2      PHE  12  15.674   1.380   2.936
   81    HZ   PHE  12           HZ       PHE  12  17.691   2.796   3.068
   82    H    ALA  13           HN       ALA  13  17.137  -1.271   2.053
   83    HA   ALA  13           HA       ALA  13  19.758  -0.788   2.867
   84    HB1  ALA  13           HB1      ALA  13  18.824  -1.335   5.227
   85    HB2  ALA  13           HB2      ALA  13  17.294  -1.637   4.404
   86    HB3  ALA  13           HB3      ALA  13  18.040  -0.042   4.321
   87    H    ARG  14           HN       ARG  14  17.864  -3.780   3.416
   88    HA   ARG  14           HA       ARG  14  20.170  -5.220   4.382
   89    HB2  ARG  14           HB2      ARG  14  17.565  -6.430   3.429
   90    HB3  ARG  14           HB1      ARG  14  18.729  -7.120   4.556
   91    HG2  ARG  14           HG2      ARG  14  18.301  -5.310   6.146
   92    HG3  ARG  14           HG1      ARG  14  17.157  -4.571   5.011
   93    HD2  ARG  14           HD2      ARG  14  16.775  -7.434   5.844
   94    HD3  ARG  14           HD1      ARG  14  16.249  -6.135   6.920
   95    HE   ARG  14           HE       ARG  14  15.233  -6.492   4.110
   96   HH11  ARG  14          HH11      ARG  14  14.433  -3.901   4.655
   97   HH12  ARG  14          HH12      ARG  14  13.048  -4.036   5.695
   98   HH21  ARG  14          HH21      ARG  14  13.702  -7.293   6.609
   99   HH22  ARG  14          HH22      ARG  14  12.635  -5.945   6.793
  100    H    CGU  15           HN       CGU  15  18.505  -4.944   1.246
  101    HA   CGU  15           HA       CGU  15  19.829  -7.105  -0.058
  102    HB2  CGU  15           HB1      CGU  15  19.406  -5.744  -2.183
  103    HB3  CGU  15           HB2      CGU  15  18.705  -4.510  -1.137
  104    HG   CGU  15           HG       CGU  15  17.274  -6.427  -0.156
  105    H    LEU  16           HN       LEU  16  20.989  -3.952   0.855
  106    HA   LEU  16           HA       LEU  16  23.497  -4.606  -0.612
  107    HB2  LEU  16           HB2      LEU  16  24.247  -2.325  -0.221
  108    HB3  LEU  16           HB1      LEU  16  22.713  -2.348  -1.103
  109    HG   LEU  16           HG       LEU  16  21.728  -2.216   1.395
  110   HD11  LEU  16          HD11      LEU  16  23.802  -2.194   2.596
  111   HD12  LEU  16          HD12      LEU  16  23.198  -0.540   2.632
  112   HD13  LEU  16          HD13      LEU  16  24.490  -0.984   1.516
  113   HD21  LEU  16          HD21      LEU  16  20.942  -0.459   0.192
  114   HD22  LEU  16          HD22      LEU  16  22.472  -0.239  -0.658
  115   HD23  LEU  16          HD23      LEU  16  22.248   0.449   0.951
  116    H    ALA  17           HN       ALA  17  22.011  -4.203   2.493
  117    HA   ALA  17           HA       ALA  17  24.199  -3.899   4.216
  118    HB1  ALA  17           HB1      ALA  17  21.823  -4.199   4.980
  119    HB2  ALA  17           HB2      ALA  17  22.960  -5.212   5.867
  120    HB3  ALA  17           HB3      ALA  17  21.958  -5.916   4.600
  121    H    ASN  18           HN       ASN  18  23.084  -6.801   2.469
  122    HA   ASN  18           HA       ASN  18  25.252  -8.450   3.550
  123    HB2  ASN  18           HB2      ASN  18  24.617  -9.983   1.609
  124    HB3  ASN  18           HB1      ASN  18  23.343  -9.655   2.779
  125   HD21  ASN  18          HD21      ASN  18  23.874  -6.857   0.972
  126   HD22  ASN  18          HD22      ASN  18  22.648  -7.087  -0.208
  127    H    TYR  19           HN       TYR  19  25.166  -5.971   1.223
  128    HA   TYR  19           HA       TYR  19  27.918  -6.088   0.642
  129    HB2  TYR  19           HB2      TYR  19  28.054  -6.941  -1.569
  130    HB3  TYR  19           HB1      TYR  19  27.090  -8.125  -0.698
  131    HD1  TYR  19           HD1      TYR  19  27.066  -5.463  -3.233
  132    HD2  TYR  19           HD2      TYR  19  24.666  -8.295  -1.076
  133    HE1  TYR  19           HE1      TYR  19  25.196  -5.086  -4.818
  134    HE2  TYR  19           HE2      TYR  19  22.797  -7.918  -2.661
  135    HN1  NH2  20           HN1      NH2  20  24.958  -5.227  -1.180
  136    HN2  NH2  20           HN2      NH2  20  25.403  -3.577  -1.381
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1   3.900   8.423   1.873
    2    H2   GLY   1           HT2      GLY   1   4.915   9.800   1.929
    3    H3   GLY   1           HT3      GLY   1   3.983   9.376   3.285
    4    HA2  GLY   1           HA1      GLY   1   6.467   8.800   3.320
    5    HA3  GLY   1           HA2      GLY   1   5.314   7.564   3.827
    6    H    GLU   2           HN       GLU   2   4.378   6.382   1.724
    7    HA   GLU   2           HA       GLU   2   6.308   4.680   0.674
    8    HB2  GLU   2           HB2      GLU   2   4.428   4.960  -1.407
    9    HB3  GLU   2           HB1      GLU   2   4.395   3.774  -0.105
   10    HG2  GLU   2           HG2      GLU   2   2.279   5.146  -0.330
   11    HG3  GLU   2           HG1      GLU   2   3.014   5.208   1.268
   12    H    CGU   3           HN       CGU   3   4.896   7.371  -1.207
   13    HA   CGU   3           HA       CGU   3   6.603   7.328  -3.407
   14    HB2  CGU   3           HB1      CGU   3   5.763   9.933  -2.102
   15    HB3  CGU   3           HB2      CGU   3   4.572   8.862  -2.875
   16    HG   CGU   3           HG       CGU   3   5.051  10.091  -4.721
   17    H    CGU   4           HN       CGU   4   7.177   8.884  -0.269
   18    HA   CGU   4           HA       CGU   4   9.801   9.879  -1.028
   19    HB2  CGU   4           HB1      CGU   4  10.019  10.527   1.265
   20    HB3  CGU   4           HB2      CGU   4   8.770   9.406   1.777
   21    HG   CGU   4           HG       CGU   4   8.266  11.994   1.455
   22    H    LEU   5           HN       LEU   5   8.554   7.131   0.874
   23    HA   LEU   5           HA       LEU   5  11.166   6.016   1.434
   24    HB2  LEU   5           HB2      LEU   5   8.367   4.842   1.455
   25    HB3  LEU   5           HB1      LEU   5   9.813   3.911   1.930
   26    HG   LEU   5           HG       LEU   5   9.171   6.599   3.171
   27   HD11  LEU   5          HD11      LEU   5   8.381   3.880   4.258
   28   HD12  LEU   5          HD12      LEU   5   7.255   4.982   3.463
   29   HD13  LEU   5          HD13      LEU   5   8.033   5.454   4.974
   30   HD21  LEU   5          HD21      LEU   5  10.536   5.570   5.030
   31   HD22  LEU   5          HD22      LEU   5  11.437   5.798   3.531
   32   HD23  LEU   5          HD23      LEU   5  10.847   4.195   3.970
   33    H    ALA   6           HN       ALA   6   8.769   5.527  -1.161
   34    HA   ALA   6           HA       ALA   6   9.871   3.243  -2.410
   35    HB1  ALA   6           HB1      ALA   6   7.805   4.680  -3.073
   36    HB2  ALA   6           HB2      ALA   6   8.725   3.918  -4.368
   37    HB3  ALA   6           HB3      ALA   6   8.951   5.631  -4.017
   38    H    CGU   7           HN       CGU   7  11.151   6.454  -2.180
   39    HA   CGU   7           HA       CGU   7  13.096   6.182  -4.347
   40    HB2  CGU   7           HB1      CGU   7  13.975   8.283  -3.584
   41    HB3  CGU   7           HB2      CGU   7  13.262   8.075  -1.983
   42    HG   CGU   7           HG       CGU   7  10.994   8.108  -3.084
   43    H    LYS   8           HN       LYS   8  12.770   4.640  -1.460
   44    HA   LYS   8           HA       LYS   8  15.618   3.863  -1.457
   45    HB2  LYS   8           HB2      LYS   8  15.440   5.810   0.115
   46    HB3  LYS   8           HB1      LYS   8  14.288   4.868   1.065
   47    HG2  LYS   8           HG2      LYS   8  16.165   4.128   2.149
   48    HG3  LYS   8           HG1      LYS   8  16.271   3.042   0.772
   49    HD2  LYS   8           HD2      LYS   8  17.545   5.786   0.791
   50    HD3  LYS   8           HD1      LYS   8  18.398   4.346   1.278
   51    HE2  LYS   8           HE2      LYS   8  18.987   4.261  -0.923
   52    HE3  LYS   8           HE1      LYS   8  17.405   3.505  -1.104
   53    HZ1  LYS   8           HZ1      LYS   8  18.143   5.664  -2.461
   54    HZ2  LYS   8           HZ2      LYS   8  17.466   6.423  -1.105
   55    HZ3  LYS   8           HZ3      LYS   8  16.518   5.369  -2.048
   56    H    ALA   9           HN       ALA   9  12.722   3.548   0.599
   57    HA   ALA   9           HA       ALA   9  11.698   1.613   1.454
   58    HB1  ALA   9           HB1      ALA   9  11.477  -0.252  -0.043
   59    HB2  ALA   9           HB2      ALA   9  12.951   0.183  -0.907
   60    HB3  ALA   9           HB3      ALA   9  11.510   1.186  -1.064
   61    HA   PRO  10           HA       PRO  10  15.753   0.954   3.644
   62    HB2  PRO  10           HB2      PRO  10  14.127  -0.225   5.730
   63    HB3  PRO  10           HB1      PRO  10  15.011   1.331   5.737
   64    HG2  PRO  10           HG2      PRO  10  12.174   0.777   5.196
   65    HG3  PRO  10           HG1      PRO  10  12.959   2.274   5.721
   66    HD2  PRO  10           HD2      PRO  10  11.957   1.994   3.229
   67    HD3  PRO  10           HD1      PRO  10  13.422   2.957   3.539
   68    H    CGU  11           HN       CGU  11  14.011  -1.179   1.955
   69    HA   CGU  11           HA       CGU  11  15.005  -3.647   3.221
   70    HB2  CGU  11           HB1      CGU  11  13.087  -2.948   1.007
   71    HB3  CGU  11           HB2      CGU  11  12.842  -4.015   2.385
   72    HG   CGU  11           HG       CGU  11  14.615  -4.623   0.002
   73    H    PHE  12           HN       PHE  12  15.702  -1.301   0.753
   74    HA   PHE  12           HA       PHE  12  17.468  -2.899  -0.890
   75    HB2  PHE  12           HB2      PHE  12  18.072  -0.856  -1.899
   76    HB3  PHE  12           HB1      PHE  12  16.466  -0.474  -1.273
   77    HD1  PHE  12           HD1      PHE  12  19.881   0.517  -1.293
   78    HD2  PHE  12           HD2      PHE  12  16.391   0.407   1.202
   79    HE1  PHE  12           HE1      PHE  12  20.867   2.259   0.173
   80    HE2  PHE  12           HE2      PHE  12  17.374   2.141   2.664
   81    HZ   PHE  12           HZ       PHE  12  19.604   3.069   2.150
   82    H    ALA  13           HN       ALA  13  17.828  -0.905   1.994
   83    HA   ALA  13           HA       ALA  13  20.608  -0.900   2.347
   84    HB1  ALA  13           HB1      ALA  13  19.495   0.362   3.959
   85    HB2  ALA  13           HB2      ALA  13  19.853  -1.087   4.898
   86    HB3  ALA  13           HB3      ALA  13  18.247  -0.858   4.204
   87    H    ARG  14           HN       ARG  14  18.210  -3.325   3.404
   88    HA   ARG  14           HA       ARG  14  20.229  -5.142   4.369
   89    HB2  ARG  14           HB2      ARG  14  17.362  -5.819   3.666
   90    HB3  ARG  14           HB1      ARG  14  18.432  -6.687   4.763
   91    HG2  ARG  14           HG2      ARG  14  18.559  -4.681   6.204
   92    HG3  ARG  14           HG1      ARG  14  17.428  -3.851   5.118
   93    HD2  ARG  14           HD2      ARG  14  16.481  -6.499   5.983
   94    HD3  ARG  14           HD1      ARG  14  16.700  -5.367   7.319
   95    HE   ARG  14           HE       ARG  14  14.810  -5.012   5.046
   96   HH11  ARG  14          HH11      ARG  14  14.034  -5.098   7.945
   97   HH12  ARG  14          HH12      ARG  14  13.790  -3.422   8.296
   98   HH21  ARG  14          HH21      ARG  14  15.455  -2.337   5.457
   99   HH22  ARG  14          HH22      ARG  14  14.593  -1.865   6.893
  100    H    CGU  15           HN       CGU  15  18.412  -4.751   1.329
  101    HA   CGU  15           HA       CGU  15  19.197  -7.224   0.134
  102    HB2  CGU  15           HB1      CGU  15  18.904  -5.928  -2.075
  103    HB3  CGU  15           HB2      CGU  15  18.444  -4.557  -1.067
  104    HG   CGU  15           HG       CGU  15  16.777  -6.123   0.066
  105    H    LEU  16           HN       LEU  16  21.001  -4.290   0.666
  106    HA   LEU  16           HA       LEU  16  23.203  -5.531  -0.922
  107    HB2  LEU  16           HB2      LEU  16  24.402  -3.412  -0.772
  108    HB3  LEU  16           HB1      LEU  16  22.824  -3.204  -1.545
  109    HG   LEU  16           HG       LEU  16  22.081  -2.715   0.988
  110   HD11  LEU  16          HD11      LEU  16  24.798  -2.994   1.336
  111   HD12  LEU  16          HD12      LEU  16  23.738  -2.083   2.410
  112   HD13  LEU  16          HD13      LEU  16  24.633  -1.250   1.141
  113   HD21  LEU  16          HD21      LEU  16  22.402  -0.301   0.484
  114   HD22  LEU  16          HD22      LEU  16  21.760  -1.186  -0.900
  115   HD23  LEU  16          HD23      LEU  16  23.467  -0.740  -0.852
  116    H    ALA  17           HN       ALA  17  22.092  -4.658   2.231
  117    HA   ALA  17           HA       ALA  17  24.430  -4.654   3.771
  118    HB1  ALA  17           HB1      ALA  17  22.129  -4.460   4.733
  119    HB2  ALA  17           HB2      ALA  17  23.106  -5.653   5.587
  120    HB3  ALA  17           HB3      ALA  17  21.883  -6.180   4.433
  121    H    ASN  18           HN       ASN  18  22.661  -7.424   2.360
  122    HA   ASN  18           HA       ASN  18  24.590  -9.365   3.391
  123    HB2  ASN  18           HB2      ASN  18  23.572 -10.876   1.614
  124    HB3  ASN  18           HB1      ASN  18  22.447 -10.246   2.812
  125   HD21  ASN  18          HD21      ASN  18  23.284  -7.675   0.840
  126   HD22  ASN  18          HD22      ASN  18  21.991  -7.783  -0.288
  127    H    TYR  19           HN       TYR  19  24.764  -7.059   0.884
  128    HA   TYR  19           HA       TYR  19  27.418  -7.686   0.178
  129    HB2  TYR  19           HB2      TYR  19  27.273  -8.681  -1.972
  130    HB3  TYR  19           HB1      TYR  19  26.181  -9.626  -0.972
  131    HD1  TYR  19           HD1      TYR  19  23.729  -9.291  -1.134
  132    HD2  TYR  19           HD2      TYR  19  26.460  -7.262  -3.752
  133    HE1  TYR  19           HE1      TYR  19  21.847  -8.688  -2.628
  134    HE2  TYR  19           HE2      TYR  19  24.575  -6.663  -5.250
  135    HN1  NH2  20           HN1      NH2  20  24.533  -6.436  -1.539
  136    HN2  NH2  20           HN2      NH2  20  25.243  -4.909  -1.897
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1   9.730   8.841   3.370
    2    H2   GLY   1           HT2      GLY   1   9.512   9.775   4.777
    3    H3   GLY   1           HT3      GLY   1   9.762  10.540   3.281
    4    HA2  GLY   1           HA1      GLY   1   7.340   9.721   4.484
    5    HA3  GLY   1           HA2      GLY   1   7.562  10.634   2.988
    6    H    GLU   2           HN       GLU   2   5.560   9.155   2.392
    7    HA   GLU   2           HA       GLU   2   5.976   6.333   2.012
    8    HB2  GLU   2           HB2      GLU   2   3.735   7.270   2.150
    9    HB3  GLU   2           HB1      GLU   2   4.025   8.264   0.722
   10    HG2  GLU   2           HG2      GLU   2   4.346   5.276   0.544
   11    HG3  GLU   2           HG1      GLU   2   2.736   5.988   0.467
   12    H    CGU   3           HN       CGU   3   5.687   8.833  -0.552
   13    HA   CGU   3           HA       CGU   3   6.685   7.234  -2.644
   14    HB2  CGU   3           HB1      CGU   3   6.897  10.248  -2.244
   15    HB3  CGU   3           HB2      CGU   3   5.644   9.371  -3.167
   16    HG   CGU   3           HG       CGU   3   8.618   9.369  -3.824
   17    H    CGU   4           HN       CGU   4   8.336   9.339  -0.338
   18    HA   CGU   4           HA       CGU   4  11.004   8.986  -1.281
   19    HB2  CGU   4           HB1      CGU   4   9.834   9.499   1.467
   20    HB3  CGU   4           HB2      CGU   4  10.567  10.670   0.380
   21    HG   CGU   4           HG       CGU   4  12.729   9.273   0.620
   22    H    LEU   5           HN       LEU   5   9.055   7.174   1.121
   23    HA   LEU   5           HA       LEU   5  11.013   5.111   1.564
   24    HB2  LEU   5           HB2      LEU   5   8.032   5.350   1.972
   25    HB3  LEU   5           HB1      LEU   5   8.820   3.760   2.146
   26    HG   LEU   5           HG       LEU   5   9.696   6.273   3.607
   27   HD11  LEU   5          HD11      LEU   5   7.381   5.322   4.198
   28   HD12  LEU   5          HD12      LEU   5   8.534   5.484   5.521
   29   HD13  LEU   5          HD13      LEU   5   8.245   3.904   4.793
   30   HD21  LEU   5          HD21      LEU   5  10.673   4.238   5.044
   31   HD22  LEU   5          HD22      LEU   5  11.560   4.910   3.674
   32   HD23  LEU   5          HD23      LEU   5  10.615   3.432   3.475
   33    H    ALA   6           HN       ALA   6   8.289   5.493  -0.724
   34    HA   ALA   6           HA       ALA   6   8.531   2.897  -1.939
   35    HB1  ALA   6           HB1      ALA   6   7.241   3.811  -3.767
   36    HB2  ALA   6           HB2      ALA   6   7.717   5.457  -3.351
   37    HB3  ALA   6           HB3      ALA   6   6.639   4.555  -2.284
   38    H    CGU   7           HN       CGU   7  10.123   6.006  -2.697
   39    HA   CGU   7           HA       CGU   7  11.642   4.946  -4.937
   40    HB2  CGU   7           HB1      CGU   7  13.025   7.008  -4.642
   41    HB3  CGU   7           HB2      CGU   7  12.162   7.345  -3.143
   42    HG   CGU   7           HG       CGU   7  10.011   7.223  -4.610
   43    H    LYS   8           HN       LYS   8  11.782   4.437  -1.616
   44    HA   LYS   8           HA       LYS   8  14.702   3.800  -1.638
   45    HB2  LYS   8           HB2      LYS   8  13.909   5.271   0.186
   46    HB3  LYS   8           HB1      LYS   8  12.771   4.016   0.683
   47    HG2  LYS   8           HG2      LYS   8  14.505   3.394   2.055
   48    HG3  LYS   8           HG1      LYS   8  15.030   2.545   0.609
   49    HD2  LYS   8           HD2      LYS   8  15.859   5.381   1.282
   50    HD3  LYS   8           HD1      LYS   8  16.822   3.979   1.668
   51    HE2  LYS   8           HE2      LYS   8  16.058   4.979  -1.078
   52    HE3  LYS   8           HE1      LYS   8  17.677   4.836  -0.396
   53    HZ1  LYS   8           HZ1      LYS   8  15.849   2.547  -0.954
   54    HZ2  LYS   8           HZ2      LYS   8  17.431   2.442  -0.338
   55    HZ3  LYS   8           HZ3      LYS   8  17.167   3.010  -1.920
   56    H    ALA   9           HN       ALA   9  11.640   2.420  -0.447
   57    HA   ALA   9           HA       ALA   9  11.014   0.167  -0.203
   58    HB1  ALA   9           HB1      ALA   9  11.561  -1.275  -1.962
   59    HB2  ALA   9           HB2      ALA   9  13.196  -0.634  -2.112
   60    HB3  ALA   9           HB3      ALA   9  11.827   0.298  -2.713
   61    HA   PRO  10           HA       PRO  10  14.376   0.036   3.045
   62    HB2  PRO  10           HB2      PRO  10  12.601  -1.809   4.398
   63    HB3  PRO  10           HB1      PRO  10  13.014  -0.120   4.836
   64    HG2  PRO  10           HG2      PRO  10  10.681  -1.176   3.382
   65    HG3  PRO  10           HG1      PRO  10  10.865   0.330   4.295
   66    HD2  PRO  10           HD2      PRO  10  10.695   0.331   1.605
   67    HD3  PRO  10           HD1      PRO  10  11.734   1.493   2.464
   68    H    CGU  11           HN       CGU  11  13.716  -2.062   0.682
   69    HA   CGU  11           HA       CGU  11  14.893  -4.465   1.900
   70    HB2  CGU  11           HB1      CGU  11  14.644  -4.833  -0.872
   71    HB3  CGU  11           HB2      CGU  11  13.241  -3.863  -0.432
   72    HG   CGU  11           HG       CGU  11  12.626  -5.486   1.293
   73    H    PHE  12           HN       PHE  12  15.713  -1.667  -0.087
   74    HA   PHE  12           HA       PHE  12  18.120  -2.730  -1.264
   75    HB2  PHE  12           HB2      PHE  12  18.659  -0.482  -1.776
   76    HB3  PHE  12           HB1      PHE  12  16.894  -0.462  -1.707
   77    HD1  PHE  12           HD1      PHE  12  19.905   0.944  -0.365
   78    HD2  PHE  12           HD2      PHE  12  15.812   0.069   0.579
   79    HE1  PHE  12           HE1      PHE  12  19.993   2.545   1.528
   80    HE2  PHE  12           HE2      PHE  12  15.898   1.662   2.465
   81    HZ   PHE  12           HZ       PHE  12  17.979   2.900   2.934
   82    H    ALA  13           HN       ALA  13  17.462  -1.065   1.798
   83    HA   ALA  13           HA       ALA  13  20.014  -0.736   2.844
   84    HB1  ALA  13           HB1      ALA  13  18.961  -0.400   4.862
   85    HB2  ALA  13           HB2      ALA  13  17.962  -1.842   4.706
   86    HB3  ALA  13           HB3      ALA  13  17.531  -0.375   3.833
   87    H    ARG  14           HN       ARG  14  17.943  -3.635   3.365
   88    HA   ARG  14           HA       ARG  14  20.169  -5.142   4.418
   89    HB2  ARG  14           HB2      ARG  14  17.469  -6.176   3.526
   90    HB3  ARG  14           HB1      ARG  14  18.621  -6.994   4.582
   91    HG2  ARG  14           HG2      ARG  14  18.488  -4.995   6.118
   92    HG3  ARG  14           HG1      ARG  14  17.141  -4.414   5.118
   93    HD2  ARG  14           HD2      ARG  14  16.741  -7.201   5.825
   94    HD3  ARG  14           HD1      ARG  14  17.001  -6.236   7.280
   95    HE   ARG  14           HE       ARG  14  14.935  -5.133   6.865
   96   HH11  ARG  14          HH11      ARG  14  14.757  -4.038   4.356
   97   HH12  ARG  14          HH12      ARG  14  13.851  -5.162   3.395
   98   HH21  ARG  14          HH21      ARG  14  14.311  -7.803   5.539
   99   HH22  ARG  14          HH22      ARG  14  13.623  -7.273   4.042
  100    H    CGU  15           HN       CGU  15  18.580  -4.895   1.252
  101    HA   CGU  15           HA       CGU  15  19.774  -7.174   0.046
  102    HB2  CGU  15           HB1      CGU  15  19.562  -5.821  -2.128
  103    HB3  CGU  15           HB2      CGU  15  18.885  -4.534  -1.131
  104    HG   CGU  15           HG       CGU  15  17.271  -6.319  -0.220
  105    H    LEU  16           HN       LEU  16  21.157  -4.092   0.895
  106    HA   LEU  16           HA       LEU  16  23.651  -5.002  -0.456
  107    HB2  LEU  16           HB2      LEU  16  24.562  -2.772  -0.150
  108    HB3  LEU  16           HB1      LEU  16  23.045  -2.708  -1.058
  109    HG   LEU  16           HG       LEU  16  22.039  -2.403   1.418
  110   HD11  LEU  16          HD11      LEU  16  23.660  -0.738   2.549
  111   HD12  LEU  16          HD12      LEU  16  24.906  -1.472   1.542
  112   HD13  LEU  16          HD13      LEU  16  24.022  -2.455   2.707
  113   HD21  LEU  16          HD21      LEU  16  22.813  -0.646  -0.759
  114   HD22  LEU  16          HD22      LEU  16  22.910   0.193   0.787
  115   HD23  LEU  16          HD23      LEU  16  21.399  -0.562   0.289
  116    H    ALA  17           HN       ALA  17  22.105  -4.358   2.587
  117    HA   ALA  17           HA       ALA  17  24.278  -4.157   4.349
  118    HB1  ALA  17           HB1      ALA  17  21.846  -4.247   5.040
  119    HB2  ALA  17           HB2      ALA  17  22.905  -5.245   6.033
  120    HB3  ALA  17           HB3      ALA  17  21.898  -5.993   4.795
  121    H    ASN  18           HN       ASN  18  22.994  -7.021   2.652
  122    HA   ASN  18           HA       ASN  18  24.987  -8.796   3.869
  123    HB2  ASN  18           HB2      ASN  18  24.304 -10.343   1.950
  124    HB3  ASN  18           HB1      ASN  18  23.025  -9.888   3.071
  125   HD21  ASN  18          HD21      ASN  18  23.821  -7.202   1.190
  126   HD22  ASN  18          HD22      ASN  18  22.611  -7.378  -0.016
  127    H    TYR  19           HN       TYR  19  25.167  -6.399   1.460
  128    HA   TYR  19           HA       TYR  19  27.921  -6.747   0.978
  129    HB2  TYR  19           HB2      TYR  19  28.059  -7.694  -1.191
  130    HB3  TYR  19           HB1      TYR  19  26.964  -8.754  -0.320
  131    HD1  TYR  19           HD1      TYR  19  27.251  -6.188  -2.948
  132    HD2  TYR  19           HD2      TYR  19  24.563  -8.744  -0.783
  133    HE1  TYR  19           HE1      TYR  19  25.471  -5.730  -4.612
  134    HE2  TYR  19           HE2      TYR  19  22.787  -8.282  -2.449
  135    HN1  NH2  20           HN1      NH2  20  25.098  -5.719  -0.971
  136    HN2  NH2  20           HN2      NH2  20  25.681  -4.119  -1.217
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1   6.200  10.996   2.239
    2    H2   GLY   1           HT2      GLY   1   7.762  11.221   1.569
    3    H3   GLY   1           HT3      GLY   1   7.355  11.957   3.052
    4    HA2  GLY   1           HA1      GLY   1   8.783   9.974   3.338
    5    HA3  GLY   1           HA2      GLY   1   7.225   9.838   4.154
    6    H    GLU   2           HN       GLU   2   5.450   8.904   2.678
    7    HA   GLU   2           HA       GLU   2   5.874   6.253   2.020
    8    HB2  GLU   2           HB2      GLU   2   4.055   7.140   0.060
    9    HB3  GLU   2           HB1      GLU   2   3.660   6.502   1.653
   10    HG2  GLU   2           HG2      GLU   2   2.649   8.769   1.156
   11    HG3  GLU   2           HG1      GLU   2   3.624   8.719   2.618
   12    H    CGU   3           HN       CGU   3   5.742   8.820  -0.476
   13    HA   CGU   3           HA       CGU   3   6.777   7.237  -2.581
   14    HB2  CGU   3           HB1      CGU   3   7.011  10.242  -2.146
   15    HB3  CGU   3           HB2      CGU   3   5.688   9.399  -2.998
   16    HG   CGU   3           HG       CGU   3   8.616   9.324  -3.818
   17    H    CGU   4           HN       CGU   4   8.451   9.414  -0.302
   18    HA   CGU   4           HA       CGU   4  11.091   9.064  -1.277
   19    HB2  CGU   4           HB1      CGU   4  11.750   9.567   1.113
   20    HB3  CGU   4           HB2      CGU   4  10.047   9.500   1.541
   21    HG   CGU   4           HG       CGU   4  11.380  11.436  -0.382
   22    H    LEU   5           HN       LEU   5   9.184   7.215   1.089
   23    HA   LEU   5           HA       LEU   5  11.222   5.192   1.509
   24    HB2  LEU   5           HB2      LEU   5   8.209   5.164   1.936
   25    HB3  LEU   5           HB1      LEU   5   9.309   3.858   2.458
   26    HG   LEU   5           HG       LEU   5   9.675   6.753   3.302
   27   HD11  LEU   5          HD11      LEU   5   8.659   5.983   5.475
   28   HD12  LEU   5          HD12      LEU   5   8.158   4.502   4.657
   29   HD13  LEU   5          HD13      LEU   5   7.509   6.058   4.141
   30   HD21  LEU   5          HD21      LEU   5  11.673   5.473   3.604
   31   HD22  LEU   5          HD22      LEU   5  10.773   4.069   4.183
   32   HD23  LEU   5          HD23      LEU   5  10.899   5.514   5.189
   33    H    ALA   6           HN       ALA   6   8.359   5.529  -0.596
   34    HA   ALA   6           HA       ALA   6   8.496   2.944  -1.824
   35    HB1  ALA   6           HB1      ALA   6   6.690   4.798  -2.069
   36    HB2  ALA   6           HB2      ALA   6   7.067   3.834  -3.497
   37    HB3  ALA   6           HB3      ALA   6   7.738   5.456  -3.327
   38    H    CGU   7           HN       CGU   7  10.187   5.980  -2.517
   39    HA   CGU   7           HA       CGU   7  11.582   4.917  -4.856
   40    HB2  CGU   7           HB1      CGU   7  12.953   7.002  -4.626
   41    HB3  CGU   7           HB2      CGU   7  12.124   7.348  -3.111
   42    HG   CGU   7           HG       CGU   7   9.937   7.168  -4.530
   43    H    LYS   8           HN       LYS   8  11.725   4.075  -1.717
   44    HA   LYS   8           HA       LYS   8  14.670   3.534  -1.790
   45    HB2  LYS   8           HB2      LYS   8  14.034   5.149  -0.014
   46    HB3  LYS   8           HB1      LYS   8  12.915   3.951   0.642
   47    HG2  LYS   8           HG2      LYS   8  14.739   3.394   1.927
   48    HG3  LYS   8           HG1      LYS   8  15.128   2.430   0.504
   49    HD2  LYS   8           HD2      LYS   8  16.116   5.250   1.015
   50    HD3  LYS   8           HD1      LYS   8  17.062   3.802   1.225
   51    HE2  LYS   8           HE2      LYS   8  16.527   3.272  -1.230
   52    HE3  LYS   8           HE1      LYS   8  16.008   4.956  -1.342
   53    HZ1  LYS   8           HZ1      LYS   8  18.684   3.855  -0.961
   54    HZ2  LYS   8           HZ2      LYS   8  18.327   5.301  -0.145
   55    HZ3  LYS   8           HZ3      LYS   8  18.190   5.219  -1.838
   56    H    ALA   9           HN       ALA   9  11.678   2.346  -0.237
   57    HA   ALA   9           HA       ALA   9  11.009   0.129   0.197
   58    HB1  ALA   9           HB1      ALA   9  12.935  -0.744  -1.965
   59    HB2  ALA   9           HB2      ALA   9  11.417   0.058  -2.368
   60    HB3  ALA   9           HB3      ALA   9  11.399  -1.481  -1.504
   61    HA   PRO  10           HA       PRO  10  14.698   0.045   3.042
   62    HB2  PRO  10           HB2      PRO  10  13.096  -1.782   4.612
   63    HB3  PRO  10           HB1      PRO  10  13.551  -0.087   4.977
   64    HG2  PRO  10           HG2      PRO  10  11.073  -1.165   3.805
   65    HG3  PRO  10           HG1      PRO  10  11.352   0.353   4.670
   66    HD2  PRO  10           HD2      PRO  10  10.891   0.324   2.018
   67    HD3  PRO  10           HD1      PRO  10  12.030   1.488   2.738
   68    H    CGU  11           HN       CGU  11  13.496  -2.280   0.966
   69    HA   CGU  11           HA       CGU  11  14.900  -4.591   2.019
   70    HB2  CGU  11           HB1      CGU  11  14.453  -4.752  -0.817
   71    HB3  CGU  11           HB2      CGU  11  13.016  -4.064  -0.068
   72    HG   CGU  11           HG       CGU  11  12.885  -5.949   1.487
   73    H    PHE  12           HN       PHE  12  15.576  -1.766   0.075
   74    HA   PHE  12           HA       PHE  12  17.932  -2.729  -1.275
   75    HB2  PHE  12           HB2      PHE  12  18.333  -0.475  -1.820
   76    HB3  PHE  12           HB1      PHE  12  16.588  -0.472  -1.554
   77    HD1  PHE  12           HD1      PHE  12  15.749   0.068   0.823
   78    HD2  PHE  12           HD2      PHE  12  19.734   0.915  -0.522
   79    HE1  PHE  12           HE1      PHE  12  16.037   1.654   2.698
   80    HE2  PHE  12           HE2      PHE  12  20.022   2.513   1.355
   81    HZ   PHE  12           HZ       PHE  12  18.162   2.879   2.956
   82    H    ALA  13           HN       ALA  13  17.388  -1.127   1.843
   83    HA   ALA  13           HA       ALA  13  20.012  -0.822   2.754
   84    HB1  ALA  13           HB1      ALA  13  17.461  -1.544   4.224
   85    HB2  ALA  13           HB2      ALA  13  18.244   0.033   4.121
   86    HB3  ALA  13           HB3      ALA  13  18.982  -1.256   5.071
   87    H    ARG  14           HN       ARG  14  17.881  -3.672   3.117
   88    HA   ARG  14           HA       ARG  14  19.997  -5.299   4.208
   89    HB2  ARG  14           HB2      ARG  14  17.378  -6.247   3.031
   90    HB3  ARG  14           HB1      ARG  14  18.407  -7.098   4.180
   91    HG2  ARG  14           HG2      ARG  14  18.065  -5.289   5.823
   92    HG3  ARG  14           HG1      ARG  14  17.008  -4.454   4.670
   93    HD2  ARG  14           HD2      ARG  14  15.796  -5.861   6.403
   94    HD3  ARG  14           HD1      ARG  14  15.400  -6.234   4.723
   95    HE   ARG  14           HE       ARG  14  17.556  -7.855   5.924
   96   HH11  ARG  14          HH11      ARG  14  15.991  -9.279   7.401
   97   HH12  ARG  14          HH12      ARG  14  14.895 -10.178   6.413
   98   HH21  ARG  14          HH21      ARG  14  15.412  -8.195   3.628
   99   HH22  ARG  14          HH22      ARG  14  14.565  -9.565   4.266
  100    H    CGU  15           HN       CGU  15  18.619  -4.835   0.960
  101    HA   CGU  15           HA       CGU  15  19.870  -7.064  -0.302
  102    HB2  CGU  15           HB1      CGU  15  19.764  -5.602  -2.406
  103    HB3  CGU  15           HB2      CGU  15  19.081  -4.343  -1.378
  104    HG   CGU  15           HG       CGU  15  17.428  -6.215  -0.607
  105    H    LEU  16           HN       LEU  16  21.166  -4.046   0.808
  106    HA   LEU  16           HA       LEU  16  23.765  -4.828  -0.423
  107    HB2  LEU  16           HB2      LEU  16  24.589  -2.591   0.134
  108    HB3  LEU  16           HB1      LEU  16  23.182  -2.524  -0.937
  109    HG   LEU  16           HG       LEU  16  21.930  -2.447   1.468
  110   HD11  LEU  16          HD11      LEU  16  24.685  -1.969   2.066
  111   HD12  LEU  16          HD12      LEU  16  23.304  -1.900   3.159
  112   HD13  LEU  16          HD13      LEU  16  23.808  -0.454   2.287
  113   HD21  LEU  16          HD21      LEU  16  21.433  -0.855  -0.231
  114   HD22  LEU  16          HD22      LEU  16  23.072  -0.204  -0.203
  115   HD23  LEU  16          HD23      LEU  16  21.982   0.093   1.150
  116    H    ALA  17           HN       ALA  17  22.011  -4.381   2.545
  117    HA   ALA  17           HA       ALA  17  24.056  -4.250   4.461
  118    HB1  ALA  17           HB1      ALA  17  21.658  -6.110   4.636
  119    HB2  ALA  17           HB2      ALA  17  21.596  -4.384   5.003
  120    HB3  ALA  17           HB3      ALA  17  22.587  -5.459   5.987
  121    H    ASN  18           HN       ASN  18  22.931  -7.007   2.515
  122    HA   ASN  18           HA       ASN  18  24.829  -8.851   3.779
  123    HB2  ASN  18           HB2      ASN  18  24.302 -10.287   1.745
  124    HB3  ASN  18           HB1      ASN  18  22.923  -9.867   2.757
  125   HD21  ASN  18          HD21      ASN  18  23.922  -7.104   1.078
  126   HD22  ASN  18          HD22      ASN  18  22.834  -7.215  -0.248
  127    H    TYR  19           HN       TYR  19  25.172  -6.308   1.558
  128    HA   TYR  19           HA       TYR  19  27.950  -6.562   1.280
  129    HB2  TYR  19           HB2      TYR  19  28.335  -7.482  -0.840
  130    HB3  TYR  19           HB1      TYR  19  27.076  -8.531  -0.210
  131    HD1  TYR  19           HD1      TYR  19  27.869  -5.826  -2.573
  132    HD2  TYR  19           HD2      TYR  19  24.781  -8.388  -1.044
  133    HE1  TYR  19           HE1      TYR  19  26.392  -5.170  -4.452
  134    HE2  TYR  19           HE2      TYR  19  23.304  -7.732  -2.925
  135    HN1  NH2  20           HN1      NH2  20  25.264  -5.528  -0.861
  136    HN2  NH2  20           HN2      NH2  20  25.808  -3.899  -0.974
  Start of MODEL   11
    1    H1   GLY   1           HT1      GLY   1   5.635   9.231   5.143
    2    H2   GLY   1           HT2      GLY   1   5.931   9.564   3.495
    3    H3   GLY   1           HT3      GLY   1   6.777  10.411   4.711
    4    HA2  GLY   1           HA1      GLY   1   8.409   8.916   4.532
    5    HA3  GLY   1           HA2      GLY   1   7.291   7.759   5.257
    6    H    GLU   2           HN       GLU   2   5.465   7.256   3.450
    7    HA   GLU   2           HA       GLU   2   6.358   5.413   1.626
    8    HB2  GLU   2           HB2      GLU   2   4.297   5.898   0.323
    9    HB3  GLU   2           HB1      GLU   2   3.985   5.836   2.056
   10    HG2  GLU   2           HG2      GLU   2   4.231   8.312   0.314
   11    HG3  GLU   2           HG1      GLU   2   2.824   7.774   1.222
   12    H    CGU   3           HN       CGU   3   5.958   8.869   0.942
   13    HA   CGU   3           HA       CGU   3   6.710   8.953  -1.745
   14    HB2  CGU   3           HB1      CGU   3   7.478  10.979   0.397
   15    HB3  CGU   3           HB2      CGU   3   5.879  10.890  -0.382
   16    HG   CGU   3           HG       CGU   3   7.155  12.608  -1.500
   17    H    CGU   4           HN       CGU   4   8.848   9.001   1.103
   18    HA   CGU   4           HA       CGU   4  11.229   8.863  -0.641
   19    HB2  CGU   4           HB1      CGU   4  10.761   9.074   2.329
   20    HB3  CGU   4           HB2      CGU   4  11.726  10.112   1.285
   21    HG   CGU   4           HG       CGU   4  12.414   7.302   2.215
   22    H    LEU   5           HN       LEU   5   9.393   6.866   1.640
   23    HA   LEU   5           HA       LEU   5  11.035   4.549   1.504
   24    HB2  LEU   5           HB2      LEU   5   8.050   4.806   1.949
   25    HB3  LEU   5           HB1      LEU   5   8.970   3.300   2.192
   26    HG   LEU   5           HG       LEU   5   9.759   5.887   3.557
   27   HD11  LEU   5          HD11      LEU   5   8.160   3.765   4.955
   28   HD12  LEU   5          HD12      LEU   5   7.312   4.982   4.003
   29   HD13  LEU   5          HD13      LEU   5   8.335   5.474   5.352
   30   HD21  LEU   5          HD21      LEU   5  10.132   3.049   4.513
   31   HD22  LEU   5          HD22      LEU   5  11.062   4.484   4.939
   32   HD23  LEU   5          HD23      LEU   5  11.246   3.759   3.344
   33    H    ALA   6           HN       ALA   6   8.280   5.581  -0.575
   34    HA   ALA   6           HA       ALA   6   8.086   3.234  -2.163
   35    HB1  ALA   6           HB1      ALA   6   6.717   4.502  -3.452
   36    HB2  ALA   6           HB2      ALA   6   8.000   5.655  -3.809
   37    HB3  ALA   6           HB3      ALA   6   7.052   5.824  -2.337
   38    H    CGU   7           HN       CGU   7  10.404   5.916  -2.425
   39    HA   CGU   7           HA       CGU   7  11.810   4.508  -4.624
   40    HB2  CGU   7           HB1      CGU   7  12.703   6.493  -5.170
   41    HB3  CGU   7           HB2      CGU   7  13.265   6.767  -3.525
   42    HG   CGU   7           HG       CGU   7  11.079   7.609  -2.878
   43    H    LYS   8           HN       LYS   8  11.593   3.749  -1.651
   44    HA   LYS   8           HA       LYS   8  14.522   3.280  -1.226
   45    HB2  LYS   8           HB2      LYS   8  13.455   4.835   0.450
   46    HB3  LYS   8           HB1      LYS   8  12.427   3.484   0.932
   47    HG2  LYS   8           HG2      LYS   8  14.124   2.996   2.373
   48    HG3  LYS   8           HG1      LYS   8  14.851   2.278   0.945
   49    HD2  LYS   8           HD2      LYS   8  15.265   5.164   1.764
   50    HD3  LYS   8           HD1      LYS   8  16.369   3.878   2.168
   51    HE2  LYS   8           HE2      LYS   8  17.359   4.654   0.230
   52    HE3  LYS   8           HE1      LYS   8  16.295   3.420  -0.442
   53    HZ1  LYS   8           HZ1      LYS   8  14.986   4.966  -1.409
   54    HZ2  LYS   8           HZ2      LYS   8  16.320   6.000  -1.214
   55    HZ3  LYS   8           HZ3      LYS   8  15.053   6.026  -0.073
   56    H    ALA   9           HN       ALA   9  11.372   2.029  -0.120
   57    HA   ALA   9           HA       ALA   9  10.681  -0.197   0.221
   58    HB1  ALA   9           HB1      ALA   9  12.640  -0.580  -2.066
   59    HB2  ALA   9           HB2      ALA   9  10.885  -0.454  -2.178
   60    HB3  ALA   9           HB3      ALA   9  11.621  -1.874  -1.434
   61    HA   PRO  10           HA       PRO  10  14.179  -0.401   3.291
   62    HB2  PRO  10           HB2      PRO  10  12.454  -2.249   4.713
   63    HB3  PRO  10           HB1      PRO  10  12.908  -0.571   5.146
   64    HG2  PRO  10           HG2      PRO  10  10.497  -1.586   3.792
   65    HG3  PRO  10           HG1      PRO  10  10.741  -0.089   4.706
   66    HD2  PRO  10           HD2      PRO  10  10.450  -0.064   2.028
   67    HD3  PRO  10           HD1      PRO  10  11.546   1.075   2.846
   68    H    CGU  11           HN       CGU  11  13.440  -2.514   0.957
   69    HA   CGU  11           HA       CGU  11  14.744  -4.877   2.156
   70    HB2  CGU  11           HB1      CGU  11  13.091  -4.325  -0.290
   71    HB3  CGU  11           HB2      CGU  11  12.935  -5.628   0.881
   72    HG   CGU  11           HG       CGU  11  15.116  -5.389  -1.209
   73    H    PHE  12           HN       PHE  12  15.294  -2.064   0.244
   74    HA   PHE  12           HA       PHE  12  17.616  -2.959  -1.222
   75    HB2  PHE  12           HB2      PHE  12  17.919  -0.688  -1.787
   76    HB3  PHE  12           HB1      PHE  12  16.181  -0.759  -1.493
   77    HD1  PHE  12           HD1      PHE  12  15.415  -0.328   0.974
   78    HD2  PHE  12           HD2      PHE  12  19.224   0.870  -0.601
   79    HE1  PHE  12           HE1      PHE  12  15.668   1.283   2.830
   80    HE2  PHE  12           HE2      PHE  12  19.473   2.496   1.257
   81    HZ   PHE  12           HZ       PHE  12  17.688   2.695   2.972
   82    H    ALA  13           HN       ALA  13  17.075  -1.327   1.878
   83    HA   ALA  13           HA       ALA  13  19.665  -0.901   2.792
   84    HB1  ALA  13           HB1      ALA  13  17.285  -0.583   3.943
   85    HB2  ALA  13           HB2      ALA  13  18.740  -0.749   4.925
   86    HB3  ALA  13           HB3      ALA  13  17.680  -2.137   4.678
   87    H    ARG  14           HN       ARG  14  17.734  -3.889   3.017
   88    HA   ARG  14           HA       ARG  14  19.909  -5.417   4.130
   89    HB2  ARG  14           HB2      ARG  14  17.472  -6.548   2.739
   90    HB3  ARG  14           HB1      ARG  14  18.478  -7.319   3.960
   91    HG2  ARG  14           HG2      ARG  14  17.789  -5.672   5.620
   92    HG3  ARG  14           HG1      ARG  14  16.829  -4.816   4.402
   93    HD2  ARG  14           HD2      ARG  14  16.355  -7.736   5.020
   94    HD3  ARG  14           HD1      ARG  14  15.564  -6.455   5.942
   95    HE   ARG  14           HE       ARG  14  15.251  -6.717   2.961
   96   HH11  ARG  14          HH11      ARG  14  13.139  -8.079   4.312
   97   HH12  ARG  14          HH12      ARG  14  11.954  -6.856   4.609
   98   HH21  ARG  14          HH21      ARG  14  14.176  -4.244   4.123
   99   HH22  ARG  14          HH22      ARG  14  12.539  -4.689   4.508
  100    H    CGU  15           HN       CGU  15  18.635  -4.829   0.862
  101    HA   CGU  15           HA       CGU  15  20.096  -6.879  -0.465
  102    HB2  CGU  15           HB1      CGU  15  19.988  -5.245  -2.485
  103    HB3  CGU  15           HB2      CGU  15  19.023  -4.228  -1.416
  104    HG   CGU  15           HG       CGU  15  17.630  -6.334  -0.942
  105    H    LEU  16           HN       LEU  16  21.212  -3.701   0.623
  106    HA   LEU  16           HA       LEU  16  23.836  -4.554  -0.499
  107    HB2  LEU  16           HB2      LEU  16  24.713  -2.368  -0.368
  108    HB3  LEU  16           HB1      LEU  16  23.155  -2.271  -1.181
  109    HG   LEU  16           HG       LEU  16  23.418  -0.399   0.368
  110   HD11  LEU  16          HD11      LEU  16  21.451  -2.373   1.510
  111   HD12  LEU  16          HD12      LEU  16  21.170  -1.391   0.076
  112   HD13  LEU  16          HD13      LEU  16  21.387  -0.621   1.647
  113   HD21  LEU  16          HD21      LEU  16  24.191  -0.549   2.487
  114   HD22  LEU  16          HD22      LEU  16  24.826  -2.108   1.968
  115   HD23  LEU  16          HD23      LEU  16  23.285  -2.021   2.826
  116    H    ALA  17           HN       ALA  17  22.078  -4.023   2.397
  117    HA   ALA  17           HA       ALA  17  24.122  -3.748   4.312
  118    HB1  ALA  17           HB1      ALA  17  22.693  -5.113   5.837
  119    HB2  ALA  17           HB2      ALA  17  21.689  -5.560   4.462
  120    HB3  ALA  17           HB3      ALA  17  21.759  -3.880   4.993
  121    H    ASN  18           HN       ASN  18  23.032  -6.651   2.520
  122    HA   ASN  18           HA       ASN  18  25.041  -8.331   3.846
  123    HB2  ASN  18           HB2      ASN  18  24.516  -9.916   1.901
  124    HB3  ASN  18           HB1      ASN  18  23.187  -9.537   2.992
  125   HD21  ASN  18          HD21      ASN  18  23.876  -6.810   1.105
  126   HD22  ASN  18          HD22      ASN  18  22.702  -7.063  -0.123
  127    H    TYR  19           HN       TYR  19  25.244  -5.948   1.430
  128    HA   TYR  19           HA       TYR  19  28.031  -6.217   1.081
  129    HB2  TYR  19           HB2      TYR  19  28.288  -7.144  -1.094
  130    HB3  TYR  19           HB1      TYR  19  27.222  -8.255  -0.252
  131    HD1  TYR  19           HD1      TYR  19  27.469  -5.690  -2.877
  132    HD2  TYR  19           HD2      TYR  19  24.827  -8.352  -0.784
  133    HE1  TYR  19           HE1      TYR  19  25.721  -5.307  -4.595
  134    HE2  TYR  19           HE2      TYR  19  23.083  -7.967  -2.504
  135    HN1  NH2  20           HN1      NH2  20  25.283  -5.287  -1.021
  136    HN2  NH2  20           HN2      NH2  20  25.823  -3.668  -1.238
  Start of MODEL   12
    1    H1   GLY   1           HT1      GLY   1   5.932  10.649   2.625
    2    H2   GLY   1           HT2      GLY   1   7.311  11.388   1.949
    3    H3   GLY   1           HT3      GLY   1   6.936  11.633   3.587
    4    HA2  GLY   1           HA1      GLY   1   8.803  10.003   3.104
    5    HA3  GLY   1           HA2      GLY   1   7.527   9.444   4.187
    6    H    GLU   2           HN       GLU   2   5.501   8.983   2.389
    7    HA   GLU   2           HA       GLU   2   5.762   6.392   1.493
    8    HB2  GLU   2           HB2      GLU   2   3.922   6.920  -0.087
    9    HB3  GLU   2           HB1      GLU   2   3.643   7.634   1.499
   10    HG2  GLU   2           HG2      GLU   2   4.498   9.013  -1.055
   11    HG3  GLU   2           HG1      GLU   2   3.121   9.380  -0.023
   12    H    CGU   3           HN       CGU   3   6.427   9.301  -0.506
   13    HA   CGU   3           HA       CGU   3   7.301   7.797  -2.784
   14    HB2  CGU   3           HB1      CGU   3   8.062  10.643  -2.006
   15    HB3  CGU   3           HB2      CGU   3   6.626  10.180  -2.961
   16    HG   CGU   3           HG       CGU   3   9.491   9.519  -3.729
   17    H    CGU   4           HN       CGU   4   9.136   9.422  -0.153
   18    HA   CGU   4           HA       CGU   4  11.720   8.574  -1.015
   19    HB2  CGU   4           HB1      CGU   4  10.575   9.150   1.731
   20    HB3  CGU   4           HB2      CGU   4  11.672  10.151   0.782
   21    HG   CGU   4           HG       CGU   4  12.307   7.496   2.116
   22    H    LEU   5           HN       LEU   5   9.285   7.059   1.094
   23    HA   LEU   5           HA       LEU   5  10.715   4.619   1.567
   24    HB2  LEU   5           HB2      LEU   5   7.736   5.221   1.410
   25    HB3  LEU   5           HB1      LEU   5   8.397   3.646   1.923
   26    HG   LEU   5           HG       LEU   5   9.196   6.260   3.240
   27   HD11  LEU   5          HD11      LEU   5   6.646   5.042   3.326
   28   HD12  LEU   5          HD12      LEU   5   7.263   6.306   4.386
   29   HD13  LEU   5          HD13      LEU   5   7.441   4.612   4.839
   30   HD21  LEU   5          HD21      LEU   5   9.839   4.706   5.076
   31   HD22  LEU   5          HD22      LEU   5  10.704   4.348   3.583
   32   HD23  LEU   5          HD23      LEU   5   9.342   3.341   4.075
   33    H    ALA   6           HN       ALA   6   8.401   5.627  -0.968
   34    HA   ALA   6           HA       ALA   6   8.461   3.163  -2.454
   35    HB1  ALA   6           HB1      ALA   6   7.518   4.436  -4.271
   36    HB2  ALA   6           HB2      ALA   6   8.174   5.944  -3.633
   37    HB3  ALA   6           HB3      ALA   6   6.862   5.127  -2.786
   38    H    CGU   7           HN       CGU   7  10.497   6.068  -2.536
   39    HA   CGU   7           HA       CGU   7  12.239   4.985  -4.651
   40    HB2  CGU   7           HB1      CGU   7  13.563   7.015  -4.269
   41    HB3  CGU   7           HB2      CGU   7  12.649   7.358  -2.804
   42    HG   CGU   7           HG       CGU   7  10.561   7.371  -4.348
   43    H    LYS   8           HN       LYS   8  11.787   3.692  -1.901
   44    HA   LYS   8           HA       LYS   8  14.675   3.302  -1.280
   45    HB2  LYS   8           HB2      LYS   8  13.564   4.889   0.355
   46    HB3  LYS   8           HB1      LYS   8  12.552   3.532   0.850
   47    HG2  LYS   8           HG2      LYS   8  14.248   3.103   2.309
   48    HG3  LYS   8           HG1      LYS   8  15.002   2.362   0.903
   49    HD2  LYS   8           HD2      LYS   8  15.381   5.246   1.763
   50    HD3  LYS   8           HD1      LYS   8  16.531   3.963   2.031
   51    HE2  LYS   8           HE2      LYS   8  17.391   4.887   0.093
   52    HE3  LYS   8           HE1      LYS   8  16.343   3.644  -0.583
   53    HZ1  LYS   8           HZ1      LYS   8  14.936   6.108  -0.063
   54    HZ2  LYS   8           HZ2      LYS   8  15.025   5.189  -1.511
   55    HZ3  LYS   8           HZ3      LYS   8  16.240   6.321  -1.136
   56    H    ALA   9           HN       ALA   9  11.513   2.096  -0.133
   57    HA   ALA   9           HA       ALA   9  10.778  -0.126   0.139
   58    HB1  ALA   9           HB1      ALA   9  12.337  -0.106  -2.325
   59    HB2  ALA   9           HB2      ALA   9  10.901  -1.048  -1.931
   60    HB3  ALA   9           HB3      ALA   9  12.499  -1.650  -1.489
   61    HA   PRO  10           HA       PRO  10  14.178  -0.160   3.335
   62    HB2  PRO  10           HB2      PRO  10  12.398  -1.908   4.807
   63    HB3  PRO  10           HB1      PRO  10  12.850  -0.210   5.154
   64    HG2  PRO  10           HG2      PRO  10  10.474  -1.289   3.787
   65    HG3  PRO  10           HG1      PRO  10  10.700   0.256   4.622
   66    HD2  PRO  10           HD2      PRO  10  10.492   0.134   1.940
   67    HD3  PRO  10           HD1      PRO  10  11.576   1.308   2.725
   68    H    CGU  11           HN       CGU  11  13.440  -2.427   1.119
   69    HA   CGU  11           HA       CGU  11  14.743  -4.691   2.496
   70    HB2  CGU  11           HB1      CGU  11  14.259  -5.125  -0.321
   71    HB3  CGU  11           HB2      CGU  11  12.801  -4.473   0.421
   72    HG   CGU  11           HG       CGU  11  12.841  -6.226   2.122
   73    H    PHE  12           HN       PHE  12  15.271  -2.028   0.340
   74    HA   PHE  12           HA       PHE  12  17.627  -2.931  -1.027
   75    HB2  PHE  12           HB2      PHE  12  17.927  -0.672  -1.629
   76    HB3  PHE  12           HB1      PHE  12  16.191  -0.735  -1.315
   77    HD1  PHE  12           HD1      PHE  12  15.499  -0.338   1.210
   78    HD2  PHE  12           HD2      PHE  12  19.198   0.969  -0.533
   79    HE1  PHE  12           HE1      PHE  12  15.770   1.307   3.036
   80    HE2  PHE  12           HE2      PHE  12  19.466   2.624   1.296
   81    HZ   PHE  12           HZ       PHE  12  17.746   2.784   3.077
   82    H    ALA  13           HN       ALA  13  17.056  -1.446   2.117
   83    HA   ALA  13           HA       ALA  13  19.662  -0.884   2.971
   84    HB1  ALA  13           HB1      ALA  13  17.450  -2.093   4.674
   85    HB2  ALA  13           HB2      ALA  13  17.541  -0.387   4.236
   86    HB3  ALA  13           HB3      ALA  13  18.797  -1.106   5.243
   87    H    ARG  14           HN       ARG  14  17.835  -3.921   3.522
   88    HA   ARG  14           HA       ARG  14  20.190  -5.322   4.410
   89    HB2  ARG  14           HB2      ARG  14  17.551  -6.496   3.505
   90    HB3  ARG  14           HB1      ARG  14  18.773  -7.281   4.505
   91    HG2  ARG  14           HG2      ARG  14  18.510  -5.420   6.168
   92    HG3  ARG  14           HG1      ARG  14  17.149  -4.821   5.191
   93    HD2  ARG  14           HD2      ARG  14  17.156  -7.703   6.025
   94    HD3  ARG  14           HD1      ARG  14  16.742  -6.486   7.232
   95    HE   ARG  14           HE       ARG  14  15.285  -6.609   4.616
   96   HH11  ARG  14          HH11      ARG  14  14.861  -4.657   6.988
   97   HH12  ARG  14          HH12      ARG  14  13.412  -5.314   7.665
   98   HH21  ARG  14          HH21      ARG  14  13.669  -8.287   5.920
   99   HH22  ARG  14          HH22      ARG  14  12.733  -7.378   7.059
  100    H    CGU  15           HN       CGU  15  18.498  -4.997   1.302
  101    HA   CGU  15           HA       CGU  15  19.821  -7.117  -0.076
  102    HB2  CGU  15           HB1      CGU  15  19.372  -5.705  -2.155
  103    HB3  CGU  15           HB2      CGU  15  18.682  -4.498  -1.072
  104    HG   CGU  15           HG       CGU  15  17.233  -6.398  -0.137
  105    H    LEU  16           HN       LEU  16  20.964  -3.962   0.876
  106    HA   LEU  16           HA       LEU  16  23.458  -4.565  -0.637
  107    HB2  LEU  16           HB2      LEU  16  24.183  -2.280  -0.219
  108    HB3  LEU  16           HB1      LEU  16  22.633  -2.305  -1.074
  109    HG   LEU  16           HG       LEU  16  21.680  -2.234   1.431
  110   HD11  LEU  16          HD11      LEU  16  23.088  -1.433   3.027
  111   HD12  LEU  16          HD12      LEU  16  23.912  -0.359   1.898
  112   HD13  LEU  16          HD13      LEU  16  24.357  -2.062   1.978
  113   HD21  LEU  16          HD21      LEU  16  21.725  -0.507  -0.648
  114   HD22  LEU  16          HD22      LEU  16  22.693   0.405   0.511
  115   HD23  LEU  16          HD23      LEU  16  21.052  -0.089   0.927
  116    H    ALA  17           HN       ALA  17  22.013  -4.200   2.501
  117    HA   ALA  17           HA       ALA  17  24.227  -3.911   4.186
  118    HB1  ALA  17           HB1      ALA  17  22.024  -5.964   4.601
  119    HB2  ALA  17           HB2      ALA  17  21.848  -4.246   4.965
  120    HB3  ALA  17           HB3      ALA  17  23.021  -5.219   5.850
  121    H    ASN  18           HN       ASN  18  23.107  -6.807   2.419
  122    HA   ASN  18           HA       ASN  18  25.302  -8.450   3.445
  123    HB2  ASN  18           HB2      ASN  18  24.675  -9.955   1.480
  124    HB3  ASN  18           HB1      ASN  18  23.403  -9.664   2.663
  125   HD21  ASN  18          HD21      ASN  18  23.889  -6.829   0.904
  126   HD22  ASN  18          HD22      ASN  18  22.660  -7.055  -0.273
  127    H    TYR  19           HN       TYR  19  25.171  -5.933   1.151
  128    HA   TYR  19           HA       TYR  19  27.924  -6.015   0.558
  129    HB2  TYR  19           HB2      TYR  19  28.059  -6.831  -1.666
  130    HB3  TYR  19           HB1      TYR  19  27.104  -8.034  -0.814
  131    HD1  TYR  19           HD1      TYR  19  27.060  -5.338  -3.315
  132    HD2  TYR  19           HD2      TYR  19  24.676  -8.195  -1.167
  133    HE1  TYR  19           HE1      TYR  19  25.172  -4.940  -4.875
  134    HE2  TYR  19           HE2      TYR  19  22.792  -7.793  -2.729
  135    HN1  NH2  20           HN1      NH2  20  24.942  -5.136  -1.219
  136    HN2  NH2  20           HN2      NH2  20  25.385  -3.484  -1.411
  Start of MODEL   13
    1    H1   GLY   1           HT1      GLY   1   6.780  10.911   2.661
    2    H2   GLY   1           HT2      GLY   1   8.417  11.184   2.248
    3    H3   GLY   1           HT3      GLY   1   7.847  11.617   3.789
    4    HA2  GLY   1           HA1      GLY   1   9.200   9.498   3.671
    5    HA3  GLY   1           HA2      GLY   1   7.637   9.393   4.480
    6    H    GLU   2           HN       GLU   2   5.773   8.918   2.880
    7    HA   GLU   2           HA       GLU   2   5.855   6.376   1.846
    8    HB2  GLU   2           HB2      GLU   2   4.251   7.750  -0.012
    9    HB3  GLU   2           HB1      GLU   2   3.716   6.974   1.474
   10    HG2  GLU   2           HG2      GLU   2   3.042   9.411   1.246
   11    HG3  GLU   2           HG1      GLU   2   3.924   9.030   2.721
   12    H    CGU   3           HN       CGU   3   6.207   9.221  -0.317
   13    HA   CGU   3           HA       CGU   3   7.028   7.767  -2.586
   14    HB2  CGU   3           HB1      CGU   3   8.470  10.145  -2.791
   15    HB3  CGU   3           HB2      CGU   3   7.100  10.579  -1.734
   16    HG   CGU   3           HG       CGU   3   5.502  10.009  -3.379
   17    H    CGU   4           HN       CGU   4   9.154   9.462  -0.219
   18    HA   CGU   4           HA       CGU   4  11.614   8.494  -1.198
   19    HB2  CGU   4           HB1      CGU   4  11.210   8.566   1.766
   20    HB3  CGU   4           HB2      CGU   4  10.988  10.071   0.875
   21    HG   CGU   4           HG       CGU   4  13.321   9.748   1.684
   22    H    LEU   5           HN       LEU   5   9.375   7.029   1.181
   23    HA   LEU   5           HA       LEU   5  10.854   4.605   1.540
   24    HB2  LEU   5           HB2      LEU   5   7.878   5.202   1.708
   25    HB3  LEU   5           HB1      LEU   5   8.590   3.629   2.160
   26    HG   LEU   5           HG       LEU   5   9.517   6.265   3.349
   27   HD11  LEU   5          HD11      LEU   5   7.628   4.269   4.623
   28   HD12  LEU   5          HD12      LEU   5   7.064   5.722   3.795
   29   HD13  LEU   5          HD13      LEU   5   8.085   5.862   5.227
   30   HD21  LEU   5          HD21      LEU   5  11.146   4.533   3.629
   31   HD22  LEU   5          HD22      LEU   5   9.910   3.331   3.998
   32   HD23  LEU   5          HD23      LEU   5  10.269   4.610   5.157
   33    H    ALA   6           HN       ALA   6   8.268   5.534  -0.756
   34    HA   ALA   6           HA       ALA   6   8.206   3.022  -2.173
   35    HB1  ALA   6           HB1      ALA   6   7.789   5.652  -3.581
   36    HB2  ALA   6           HB2      ALA   6   6.650   5.154  -2.331
   37    HB3  ALA   6           HB3      ALA   6   6.889   4.144  -3.757
   38    H    CGU   7           HN       CGU   7  10.147   5.960  -2.575
   39    HA   CGU   7           HA       CGU   7  11.661   4.870  -4.849
   40    HB2  CGU   7           HB1      CGU   7  12.914   6.940  -4.728
   41    HB3  CGU   7           HB2      CGU   7  12.317   7.263  -3.104
   42    HG   CGU   7           HG       CGU   7   9.949   7.193  -4.252
   43    H    LYS   8           HN       LYS   8  11.547   3.704  -1.963
   44    HA   LYS   8           HA       LYS   8  14.498   3.342  -1.726
   45    HB2  LYS   8           HB2      LYS   8  13.587   4.988  -0.024
   46    HB3  LYS   8           HB1      LYS   8  12.677   3.641   0.660
   47    HG2  LYS   8           HG2      LYS   8  14.570   3.279   1.879
   48    HG3  LYS   8           HG1      LYS   8  15.132   2.507   0.403
   49    HD2  LYS   8           HD2      LYS   8  15.561   5.430   1.079
   50    HD3  LYS   8           HD1      LYS   8  16.764   4.180   1.273
   51    HE2  LYS   8           HE2      LYS   8  17.351   5.005  -0.809
   52    HE3  LYS   8           HE1      LYS   8  16.262   3.701  -1.272
   53    HZ1  LYS   8           HZ1      LYS   8  14.842   5.169  -2.165
   54    HZ2  LYS   8           HZ2      LYS   8  16.020   6.372  -1.914
   55    HZ3  LYS   8           HZ3      LYS   8  14.817   6.114  -0.742
   56    H    ALA   9           HN       ALA   9  11.562   2.137  -0.072
   57    HA   ALA   9           HA       ALA   9  10.959  -0.084   0.430
   58    HB1  ALA   9           HB1      ALA   9  11.161  -0.128  -2.183
   59    HB2  ALA   9           HB2      ALA   9  11.152  -1.664  -1.315
   60    HB3  ALA   9           HB3      ALA   9  12.676  -0.982  -1.888
   61    HA   PRO  10           HA       PRO  10  14.921  -0.085   2.870
   62    HB2  PRO  10           HB2      PRO  10  13.546  -1.977   4.590
   63    HB3  PRO  10           HB1      PRO  10  13.998  -0.277   4.928
   64    HG2  PRO  10           HG2      PRO  10  11.429  -1.399   4.024
   65    HG3  PRO  10           HG1      PRO  10  11.770   0.121   4.864
   66    HD2  PRO  10           HD2      PRO  10  11.019   0.087   2.273
   67    HD3  PRO  10           HD1      PRO  10  12.196   1.281   2.875
   68    H    CGU  11           HN       CGU  11  13.264  -2.563   1.203
   69    HA   CGU  11           HA       CGU  11  14.825  -4.853   1.814
   70    HB2  CGU  11           HB1      CGU  11  13.311  -3.921  -0.639
   71    HB3  CGU  11           HB2      CGU  11  12.864  -5.195   0.492
   72    HG   CGU  11           HG       CGU  11  15.271  -5.317  -1.341
   73    H    PHE  12           HN       PHE  12  15.403  -1.922  -0.028
   74    HA   PHE  12           HA       PHE  12  17.751  -2.885  -1.452
   75    HB2  PHE  12           HB2      PHE  12  17.962  -0.696  -2.225
   76    HB3  PHE  12           HB1      PHE  12  16.251  -0.702  -1.794
   77    HD1  PHE  12           HD1      PHE  12  15.686  -0.051   0.679
   78    HD2  PHE  12           HD2      PHE  12  19.379   0.923  -1.276
   79    HE1  PHE  12           HE1      PHE  12  16.101   1.716   2.356
   80    HE2  PHE  12           HE2      PHE  12  19.792   2.704   0.402
   81    HZ   PHE  12           HZ       PHE  12  18.142   3.097   2.217
   82    H    ALA  13           HN       ALA  13  17.163  -1.156   1.576
   83    HA   ALA  13           HA       ALA  13  19.805  -0.642   2.393
   84    HB1  ALA  13           HB1      ALA  13  17.799   0.184   3.601
   85    HB2  ALA  13           HB2      ALA  13  18.902  -0.651   4.694
   86    HB3  ALA  13           HB3      ALA  13  17.443  -1.460   4.126
   87    H    ARG  14           HN       ARG  14  17.760  -3.497   3.086
   88    HA   ARG  14           HA       ARG  14  19.962  -4.948   4.251
   89    HB2  ARG  14           HB2      ARG  14  17.347  -6.083   3.238
   90    HB3  ARG  14           HB1      ARG  14  18.444  -6.812   4.411
   91    HG2  ARG  14           HG2      ARG  14  18.120  -4.830   5.886
   92    HG3  ARG  14           HG1      ARG  14  16.922  -4.212   4.732
   93    HD2  ARG  14           HD2      ARG  14  15.533  -5.338   6.219
   94    HD3  ARG  14           HD1      ARG  14  15.856  -6.617   5.047
   95    HE   ARG  14           HE       ARG  14  17.878  -6.750   7.045
   96   HH11  ARG  14          HH11      ARG  14  16.297  -6.482   9.215
   97   HH12  ARG  14          HH12      ARG  14  15.360  -7.928   9.362
   98   HH21  ARG  14          HH21      ARG  14  15.897  -8.891   6.096
   99   HH22  ARG  14          HH22      ARG  14  15.135  -9.294   7.595
  100    H    CGU  15           HN       CGU  15  18.511  -4.764   1.011
  101    HA   CGU  15           HA       CGU  15  19.802  -7.026  -0.141
  102    HB2  CGU  15           HB1      CGU  15  19.839  -5.493  -2.293
  103    HB3  CGU  15           HB2      CGU  15  18.859  -4.416  -1.310
  104    HG   CGU  15           HG       CGU  15  17.353  -6.422  -0.837
  105    H    LEU  16           HN       LEU  16  21.083  -3.878   0.713
  106    HA   LEU  16           HA       LEU  16  23.674  -4.799  -0.434
  107    HB2  LEU  16           HB2      LEU  16  24.521  -2.536  -0.141
  108    HB3  LEU  16           HB1      LEU  16  23.077  -2.554  -1.162
  109    HG   LEU  16           HG       LEU  16  21.858  -2.168   1.190
  110   HD11  LEU  16          HD11      LEU  16  24.721  -1.536   1.647
  111   HD12  LEU  16          HD12      LEU  16  23.465  -1.974   2.805
  112   HD13  LEU  16          HD13      LEU  16  23.571  -0.320   2.205
  113   HD21  LEU  16          HD21      LEU  16  21.871  -0.701  -0.878
  114   HD22  LEU  16          HD22      LEU  16  23.294   0.100  -0.210
  115   HD23  LEU  16          HD23      LEU  16  21.755   0.175   0.648
  116    H    ALA  17           HN       ALA  17  21.956  -4.090   2.491
  117    HA   ALA  17           HA       ALA  17  24.032  -3.778   4.358
  118    HB1  ALA  17           HB1      ALA  17  22.579  -4.746   6.017
  119    HB2  ALA  17           HB2      ALA  17  21.687  -5.654   4.798
  120    HB3  ALA  17           HB3      ALA  17  21.535  -3.897   4.880
  121    H    ASN  18           HN       ASN  18  22.877  -6.723   2.703
  122    HA   ASN  18           HA       ASN  18  24.825  -8.408   4.114
  123    HB2  ASN  18           HB2      ASN  18  24.264 -10.057   2.245
  124    HB3  ASN  18           HB1      ASN  18  22.923  -9.573   3.279
  125   HD21  ASN  18          HD21      ASN  18  23.742  -6.955   1.317
  126   HD22  ASN  18          HD22      ASN  18  22.601  -7.224   0.061
  127    H    TYR  19           HN       TYR  19  25.081  -6.124   1.612
  128    HA   TYR  19           HA       TYR  19  27.861  -6.432   1.281
  129    HB2  TYR  19           HB2      TYR  19  28.120  -7.447  -0.857
  130    HB3  TYR  19           HB1      TYR  19  27.047  -8.519   0.028
  131    HD1  TYR  19           HD1      TYR  19  27.309  -6.063  -2.697
  132    HD2  TYR  19           HD2      TYR  19  24.654  -8.620  -0.497
  133    HE1  TYR  19           HE1      TYR  19  25.560  -5.733  -4.425
  134    HE2  TYR  19           HE2      TYR  19  22.907  -8.291  -2.224
  135    HN1  NH2  20           HN1      NH2  20  25.119  -5.564  -0.850
  136    HN2  NH2  20           HN2      NH2  20  25.675  -3.961  -1.138
  Start of MODEL   14
    1    H1   GLY   1           HT1      GLY   1   7.403  11.538   2.062
    2    H2   GLY   1           HT2      GLY   1   6.466  11.620   3.480
    3    H3   GLY   1           HT3      GLY   1   5.910  10.711   2.145
    4    HA2  GLY   1           HA1      GLY   1   8.526  10.007   3.293
    5    HA3  GLY   1           HA2      GLY   1   7.087   9.576   4.216
    6    H    GLU   2           HN       GLU   2   5.267   8.779   2.465
    7    HA   GLU   2           HA       GLU   2   5.851   6.181   1.711
    8    HB2  GLU   2           HB2      GLU   2   4.129   7.090  -0.330
    9    HB3  GLU   2           HB1      GLU   2   3.665   6.325   1.185
   10    HG2  GLU   2           HG2      GLU   2   2.551   8.554   0.767
   11    HG3  GLU   2           HG1      GLU   2   3.442   8.472   2.285
   12    H    CGU   3           HN       CGU   3   5.816   8.869  -0.671
   13    HA   CGU   3           HA       CGU   3   6.988   7.453  -2.793
   14    HB2  CGU   3           HB1      CGU   3   8.096  10.022  -3.001
   15    HB3  CGU   3           HB2      CGU   3   6.573  10.266  -2.109
   16    HG   CGU   3           HG       CGU   3   5.276   9.322  -3.866
   17    H    CGU   4           HN       CGU   4   8.678   9.553  -0.433
   18    HA   CGU   4           HA       CGU   4  11.321   8.977  -1.184
   19    HB2  CGU   4           HB1      CGU   4  11.946   9.611   1.075
   20    HB3  CGU   4           HB2      CGU   4  10.321   9.299   1.664
   21    HG   CGU   4           HG       CGU   4  11.139  11.758   1.036
   22    H    LEU   5           HN       LEU   5   9.168   7.208   1.051
   23    HA   LEU   5           HA       LEU   5  11.098   5.116   1.597
   24    HB2  LEU   5           HB2      LEU   5   8.068   5.215   1.827
   25    HB3  LEU   5           HB1      LEU   5   9.052   3.827   2.362
   26    HG   LEU   5           HG       LEU   5   9.556   6.656   3.337
   27   HD11  LEU   5          HD11      LEU   5   7.242   5.962   3.910
   28   HD12  LEU   5          HD12      LEU   5   8.271   6.067   5.340
   29   HD13  LEU   5          HD13      LEU   5   7.882   4.492   4.648
   30   HD21  LEU   5          HD21      LEU   5  10.192   3.984   4.617
   31   HD22  LEU   5          HD22      LEU   5  10.829   5.568   5.056
   32   HD23  LEU   5          HD23      LEU   5  11.316   4.812   3.541
   33    H    ALA   6           HN       ALA   6   8.398   5.515  -0.714
   34    HA   ALA   6           HA       ALA   6   8.648   2.912  -1.926
   35    HB1  ALA   6           HB1      ALA   6   6.695   4.029  -2.563
   36    HB2  ALA   6           HB2      ALA   6   7.707   4.277  -3.988
   37    HB3  ALA   6           HB3      ALA   6   7.531   5.562  -2.794
   38    H    CGU   7           HN       CGU   7  10.285   6.002  -2.518
   39    HA   CGU   7           HA       CGU   7  11.816   5.004  -4.799
   40    HB2  CGU   7           HB1      CGU   7  13.069   7.100  -4.598
   41    HB3  CGU   7           HB2      CGU   7  12.401   7.380  -2.993
   42    HG   CGU   7           HG       CGU   7  10.082   7.257  -4.230
   43    H    LYS   8           HN       LYS   8  11.797   4.089  -1.694
   44    HA   LYS   8           HA       LYS   8  14.746   3.569  -1.612
   45    HB2  LYS   8           HB2      LYS   8  14.013   5.170   0.147
   46    HB3  LYS   8           HB1      LYS   8  12.876   3.958   0.738
   47    HG2  LYS   8           HG2      LYS   8  14.642   3.383   2.094
   48    HG3  LYS   8           HG1      LYS   8  15.112   2.455   0.675
   49    HD2  LYS   8           HD2      LYS   8  16.041   5.271   1.310
   50    HD3  LYS   8           HD1      LYS   8  16.998   3.827   1.490
   51    HE2  LYS   8           HE2      LYS   8  16.621   3.380  -0.980
   52    HE3  LYS   8           HE1      LYS   8  15.959   5.014  -1.076
   53    HZ1  LYS   8           HZ1      LYS   8  18.699   4.221  -0.269
   54    HZ2  LYS   8           HZ2      LYS   8  18.083   5.791  -0.048
   55    HZ3  LYS   8           HZ3      LYS   8  18.245   5.152  -1.614
   56    H    ALA   9           HN       ALA   9  11.677   2.393  -0.220
   57    HA   ALA   9           HA       ALA   9  10.964   0.184   0.168
   58    HB1  ALA   9           HB1      ALA   9  11.617  -1.509  -1.472
   59    HB2  ALA   9           HB2      ALA   9  12.958  -0.502  -2.019
   60    HB3  ALA   9           HB3      ALA   9  11.295   0.008  -2.312
   61    HA   PRO  10           HA       PRO  10  14.515   0.016   3.184
   62    HB2  PRO  10           HB2      PRO  10  12.796  -1.780   4.672
   63    HB3  PRO  10           HB1      PRO  10  13.271  -0.097   5.063
   64    HG2  PRO  10           HG2      PRO  10  10.830  -1.115   3.763
   65    HG3  PRO  10           HG1      PRO  10  11.099   0.391   4.653
   66    HD2  PRO  10           HD2      PRO  10  10.769   0.392   1.984
   67    HD3  PRO  10           HD1      PRO  10  11.903   1.519   2.766
   68    H    CGU  11           HN       CGU  11  13.515  -2.211   0.969
   69    HA   CGU  11           HA       CGU  11  14.798  -4.573   2.129
   70    HB2  CGU  11           HB1      CGU  11  14.432  -4.812  -0.698
   71    HB3  CGU  11           HB2      CGU  11  12.992  -4.031  -0.052
   72    HG   CGU  11           HG       CGU  11  12.700  -5.841   1.569
   73    H    PHE  12           HN       PHE  12  15.511  -1.776   0.153
   74    HA   PHE  12           HA       PHE  12  17.874  -2.743  -1.160
   75    HB2  PHE  12           HB2      PHE  12  18.312  -0.482  -1.669
   76    HB3  PHE  12           HB1      PHE  12  16.561  -0.476  -1.442
   77    HD1  PHE  12           HD1      PHE  12  15.686   0.009   0.949
   78    HD2  PHE  12           HD2      PHE  12  19.670   0.927  -0.352
   79    HE1  PHE  12           HE1      PHE  12  15.939   1.569   2.849
   80    HE2  PHE  12           HE2      PHE  12  19.925   2.499   1.550
   81    HZ   PHE  12           HZ       PHE  12  18.048   2.817   3.143
   82    H    ALA  13           HN       ALA  13  17.303  -1.219   1.989
   83    HA   ALA  13           HA       ALA  13  19.907  -0.869   2.925
   84    HB1  ALA  13           HB1      ALA  13  17.285  -1.491   4.231
   85    HB2  ALA  13           HB2      ALA  13  18.345  -0.099   4.449
   86    HB3  ALA  13           HB3      ALA  13  18.744  -1.638   5.212
   87    H    ARG  14           HN       ARG  14  17.887  -3.805   3.447
   88    HA   ARG  14           HA       ARG  14  20.144  -5.331   4.369
   89    HB2  ARG  14           HB2      ARG  14  17.459  -6.355   3.416
   90    HB3  ARG  14           HB1      ARG  14  18.625  -7.217   4.420
   91    HG2  ARG  14           HG2      ARG  14  18.443  -5.409   6.120
   92    HG3  ARG  14           HG1      ARG  14  17.181  -4.649   5.129
   93    HD2  ARG  14           HD2      ARG  14  16.944  -7.536   5.998
   94    HD3  ARG  14           HD1      ARG  14  16.428  -6.223   7.059
   95    HE   ARG  14           HE       ARG  14  15.233  -5.694   4.580
   96   HH11  ARG  14          HH11      ARG  14  14.307  -6.833   7.445
   97   HH12  ARG  14          HH12      ARG  14  13.127  -7.959   6.874
   98   HH21  ARG  14          HH21      ARG  14  14.142  -7.695   3.577
   99   HH22  ARG  14          HH22      ARG  14  13.032  -8.452   4.681
  100    H    CGU  15           HN       CGU  15  18.536  -4.934   1.217
  101    HA   CGU  15           HA       CGU  15  19.779  -7.121  -0.120
  102    HB2  CGU  15           HB1      CGU  15  19.530  -5.646  -2.211
  103    HB3  CGU  15           HB2      CGU  15  18.826  -4.439  -1.140
  104    HG   CGU  15           HG       CGU  15  17.249  -6.297  -0.341
  105    H    LEU  16           HN       LEU  16  21.083  -4.049   0.877
  106    HA   LEU  16           HA       LEU  16  23.596  -4.805  -0.536
  107    HB2  LEU  16           HB2      LEU  16  24.433  -2.562  -0.078
  108    HB3  LEU  16           HB1      LEU  16  22.928  -2.501  -1.008
  109    HG   LEU  16           HG       LEU  16  21.874  -2.395   1.461
  110   HD11  LEU  16          HD11      LEU  16  23.980  -0.529   2.140
  111   HD12  LEU  16          HD12      LEU  16  24.638  -2.157   1.967
  112   HD13  LEU  16          HD13      LEU  16  23.319  -1.854   3.098
  113   HD21  LEU  16          HD21      LEU  16  22.259   0.216   1.175
  114   HD22  LEU  16          HD22      LEU  16  21.241  -0.679   0.047
  115   HD23  LEU  16          HD23      LEU  16  22.905  -0.283  -0.390
  116    H    ALA  17           HN       ALA  17  22.059  -4.348   2.543
  117    HA   ALA  17           HA       ALA  17  24.222  -4.171   4.311
  118    HB1  ALA  17           HB1      ALA  17  21.767  -4.382   4.955
  119    HB2  ALA  17           HB2      ALA  17  22.871  -5.332   5.946
  120    HB3  ALA  17           HB3      ALA  17  21.922  -6.119   4.685
  121    H    ASN  18           HN       ASN  18  23.015  -6.985   2.486
  122    HA   ASN  18           HA       ASN  18  25.055  -8.761   3.618
  123    HB2  ASN  18           HB2      ASN  18  24.410 -10.230   1.624
  124    HB3  ASN  18           HB1      ASN  18  23.124  -9.867   2.772
  125   HD21  ASN  18          HD21      ASN  18  23.856  -7.076   1.006
  126   HD22  ASN  18          HD22      ASN  18  22.638  -7.224  -0.195
  127    H    TYR  19           HN       TYR  19  25.167  -6.249   1.330
  128    HA   TYR  19           HA       TYR  19  27.927  -6.501   0.826
  129    HB2  TYR  19           HB2      TYR  19  28.090  -7.333  -1.382
  130    HB3  TYR  19           HB1      TYR  19  27.007  -8.457  -0.580
  131    HD1  TYR  19           HD1      TYR  19  27.282  -5.776  -3.083
  132    HD2  TYR  19           HD2      TYR  19  24.596  -8.428  -1.031
  133    HE1  TYR  19           HE1      TYR  19  25.499  -5.254  -4.730
  134    HE2  TYR  19           HE2      TYR  19  22.821  -7.902  -2.678
  135    HN1  NH2  20           HN1      NH2  20  25.075  -5.438  -1.061
  136    HN2  NH2  20           HN2      NH2  20  25.614  -3.809  -1.208
  Start of MODEL   15
    1    H1   GLY   1           HT1      GLY   1   5.502  10.695   2.005
    2    H2   GLY   1           HT2      GLY   1   7.134  11.067   1.637
    3    H3   GLY   1           HT3      GLY   1   6.433  11.637   3.082
    4    HA2  GLY   1           HA1      GLY   1   7.935   9.713   3.434
    5    HA3  GLY   1           HA2      GLY   1   6.281   9.431   3.977
    6    H    GLU   2           HN       GLU   2   4.821   8.552   2.151
    7    HA   GLU   2           HA       GLU   2   5.502   5.985   1.379
    8    HB2  GLU   2           HB2      GLU   2   3.975   6.945  -0.784
    9    HB3  GLU   2           HB1      GLU   2   3.366   6.161   0.670
   10    HG2  GLU   2           HG2      GLU   2   2.316   8.412   0.177
   11    HG3  GLU   2           HG1      GLU   2   3.041   8.288   1.775
   12    H    CGU   3           HN       CGU   3   5.619   8.731  -0.918
   13    HA   CGU   3           HA       CGU   3   7.078   7.376  -2.927
   14    HB2  CGU   3           HB1      CGU   3   7.054  10.342  -2.241
   15    HB3  CGU   3           HB2      CGU   3   5.960   9.510  -3.379
   16    HG   CGU   3           HG       CGU   3   8.986   9.656  -3.654
   17    H    CGU   4           HN       CGU   4   8.231   9.439  -0.255
   18    HA   CGU   4           HA       CGU   4  11.012   9.285  -0.792
   19    HB2  CGU   4           HB1      CGU   4  11.235   9.630   1.702
   20    HB3  CGU   4           HB2      CGU   4   9.493   9.440   1.834
   21    HG   CGU   4           HG       CGU   4  10.992  11.594   0.308
   22    H    LEU   5           HN       LEU   5   8.841   7.165   1.061
   23    HA   LEU   5           HA       LEU   5  10.907   5.218   1.687
   24    HB2  LEU   5           HB2      LEU   5   7.869   5.076   1.663
   25    HB3  LEU   5           HB1      LEU   5   8.910   3.725   2.184
   26    HG   LEU   5           HG       LEU   5   9.136   6.501   3.381
   27   HD11  LEU   5          HD11      LEU   5   7.742   5.675   5.238
   28   HD12  LEU   5          HD12      LEU   5   7.492   4.154   4.383
   29   HD13  LEU   5          HD13      LEU   5   6.834   5.651   3.727
   30   HD21  LEU   5          HD21      LEU   5  11.046   5.019   3.745
   31   HD22  LEU   5          HD22      LEU   5   9.976   3.719   4.269
   32   HD23  LEU   5          HD23      LEU   5  10.145   5.174   5.251
   33    H    ALA   6           HN       ALA   6   8.382   5.544  -0.827
   34    HA   ALA   6           HA       ALA   6   8.876   3.051  -2.152
   35    HB1  ALA   6           HB1      ALA   6   8.294   5.194  -4.035
   36    HB2  ALA   6           HB2      ALA   6   7.267   5.318  -2.609
   37    HB3  ALA   6           HB3      ALA   6   7.280   3.833  -3.556
   38    H    CGU   7           HN       CGU   7  10.476   6.205  -2.397
   39    HA   CGU   7           HA       CGU   7  12.237   5.415  -4.580
   40    HB2  CGU   7           HB1      CGU   7  13.524   7.467  -3.894
   41    HB3  CGU   7           HB2      CGU   7  12.432   7.643  -2.523
   42    HG   CGU   7           HG       CGU   7  10.532   7.608  -4.305
   43    H    LYS   8           HN       LYS   8  11.967   4.143  -1.617
   44    HA   LYS   8           HA       LYS   8  14.890   3.575  -1.435
   45    HB2  LYS   8           HB2      LYS   8  14.132   5.241   0.307
   46    HB3  LYS   8           HB1      LYS   8  13.088   3.974   0.955
   47    HG2  LYS   8           HG2      LYS   8  14.946   3.478   2.206
   48    HG3  LYS   8           HG1      LYS   8  15.379   2.583   0.757
   49    HD2  LYS   8           HD2      LYS   8  16.173   5.469   1.239
   50    HD3  LYS   8           HD1      LYS   8  17.206   4.112   1.600
   51    HE2  LYS   8           HE2      LYS   8  17.954   4.607  -0.530
   52    HE3  LYS   8           HE1      LYS   8  16.680   3.454  -0.920
   53    HZ1  LYS   8           HZ1      LYS   8  16.866   6.137  -1.692
   54    HZ2  LYS   8           HZ2      LYS   8  15.545   6.015  -0.641
   55    HZ3  LYS   8           HZ3      LYS   8  15.604   5.055  -2.043
   56    H    ALA   9           HN       ALA   9  11.834   2.535   0.091
   57    HA   ALA   9           HA       ALA   9  11.051   0.347   0.493
   58    HB1  ALA   9           HB1      ALA   9  11.679   0.346  -2.121
   59    HB2  ALA   9           HB2      ALA   9  11.192  -1.129  -1.287
   60    HB3  ALA   9           HB3      ALA   9  12.902  -0.795  -1.564
   61    HA   PRO  10           HA       PRO  10  14.766   0.147   3.325
   62    HB2  PRO  10           HB2      PRO  10  13.055  -1.521   4.966
   63    HB3  PRO  10           HB1      PRO  10  13.624   0.151   5.269
   64    HG2  PRO  10           HG2      PRO  10  11.074  -0.800   4.139
   65    HG3  PRO  10           HG1      PRO  10  11.457   0.725   4.953
   66    HD2  PRO  10           HD2      PRO  10  10.981   0.640   2.307
   67    HD3  PRO  10           HD1      PRO  10  12.202   1.744   2.983
   68    H    CGU  11           HN       CGU  11  13.732  -2.042   1.179
   69    HA   CGU  11           HA       CGU  11  14.968  -4.423   2.409
   70    HB2  CGU  11           HB1      CGU  11  14.304  -4.823  -0.344
   71    HB3  CGU  11           HB2      CGU  11  12.965  -3.950   0.395
   72    HG   CGU  11           HG       CGU  11  12.758  -5.640   2.131
   73    H    PHE  12           HN       PHE  12  15.612  -1.755   0.267
   74    HA   PHE  12           HA       PHE  12  17.781  -2.935  -1.235
   75    HB2  PHE  12           HB2      PHE  12  18.198  -0.741  -2.001
   76    HB3  PHE  12           HB1      PHE  12  16.482  -0.670  -1.592
   77    HD1  PHE  12           HD1      PHE  12  19.709   0.751  -0.975
   78    HD2  PHE  12           HD2      PHE  12  15.880   0.038   0.829
   79    HE1  PHE  12           HE1      PHE  12  20.197   2.465   0.751
   80    HE2  PHE  12           HE2      PHE  12  16.368   1.745   2.550
   81    HZ   PHE  12           HZ       PHE  12  18.517   2.956   2.509
   82    H    ALA  13           HN       ALA  13  17.667  -0.960   1.722
   83    HA   ALA  13           HA       ALA  13  20.386  -0.743   2.312
   84    HB1  ALA  13           HB1      ALA  13  18.912   0.433   3.739
   85    HB2  ALA  13           HB2      ALA  13  19.539  -0.850   4.772
   86    HB3  ALA  13           HB3      ALA  13  17.933  -1.001   4.058
   87    H    ARG  14           HN       ARG  14  18.141  -3.393   3.050
   88    HA   ARG  14           HA       ARG  14  20.209  -5.001   4.292
   89    HB2  ARG  14           HB2      ARG  14  17.498  -5.999   3.402
   90    HB3  ARG  14           HB1      ARG  14  18.516  -6.606   4.703
   91    HG2  ARG  14           HG2      ARG  14  18.180  -4.609   6.003
   92    HG3  ARG  14           HG1      ARG  14  17.345  -3.811   4.663
   93    HD2  ARG  14           HD2      ARG  14  16.110  -6.368   5.277
   94    HD3  ARG  14           HD1      ARG  14  16.155  -5.326   6.701
   95    HE   ARG  14           HE       ARG  14  15.263  -3.705   4.541
   96   HH11  ARG  14          HH11      ARG  14  13.959  -6.425   3.986
   97   HH12  ARG  14          HH12      ARG  14  12.429  -6.206   4.784
   98   HH21  ARG  14          HH21      ARG  14  13.486  -3.444   6.562
   99   HH22  ARG  14          HH22      ARG  14  12.164  -4.510   6.240
  100    H    CGU  15           HN       CGU  15  18.612  -4.860   1.118
  101    HA   CGU  15           HA       CGU  15  19.677  -7.294   0.068
  102    HB2  CGU  15           HB1      CGU  15  19.405  -6.115  -2.192
  103    HB3  CGU  15           HB2      CGU  15  18.837  -4.714  -1.284
  104    HG   CGU  15           HG       CGU  15  17.226  -6.401  -0.128
  105    H    LEU  16           HN       LEU  16  21.141  -4.210   0.682
  106    HA   LEU  16           HA       LEU  16  23.588  -5.221  -0.687
  107    HB2  LEU  16           HB2      LEU  16  24.534  -2.980  -0.456
  108    HB3  LEU  16           HB1      LEU  16  23.022  -2.952  -1.374
  109    HG   LEU  16           HG       LEU  16  22.038  -2.562   1.122
  110   HD11  LEU  16          HD11      LEU  16  23.637  -0.773   2.095
  111   HD12  LEU  16          HD12      LEU  16  24.876  -1.535   1.100
  112   HD13  LEU  16          HD13      LEU  16  24.055  -2.465   2.353
  113   HD21  LEU  16          HD21      LEU  16  21.473  -1.108  -0.689
  114   HD22  LEU  16          HD22      LEU  16  23.138  -0.544  -0.842
  115   HD23  LEU  16          HD23      LEU  16  22.173  -0.078   0.558
  116    H    ALA  17           HN       ALA  17  22.124  -4.432   2.357
  117    HA   ALA  17           HA       ALA  17  24.319  -4.186   4.081
  118    HB1  ALA  17           HB1      ALA  17  21.962  -4.179   4.883
  119    HB2  ALA  17           HB2      ALA  17  22.953  -5.305   5.807
  120    HB3  ALA  17           HB3      ALA  17  21.861  -5.911   4.563
  121    H    ASN  18           HN       ASN  18  22.943  -7.121   2.584
  122    HA   ASN  18           HA       ASN  18  24.948  -8.864   3.812
  123    HB2  ASN  18           HB2      ASN  18  24.207 -10.488   1.997
  124    HB3  ASN  18           HB1      ASN  18  22.938  -9.941   3.089
  125   HD21  ASN  18          HD21      ASN  18  23.727  -7.346   1.123
  126   HD22  ASN  18          HD22      ASN  18  22.538  -7.576  -0.096
  127    H    TYR  19           HN       TYR  19  25.101  -6.582   1.292
  128    HA   TYR  19           HA       TYR  19  27.843  -6.949   0.793
  129    HB2  TYR  19           HB2      TYR  19  27.986  -8.032  -1.296
  130    HB3  TYR  19           HB1      TYR  19  26.853  -9.030  -0.397
  131    HD1  TYR  19           HD1      TYR  19  24.419  -8.883  -0.848
  132    HD2  TYR  19           HD2      TYR  19  27.285  -6.693  -3.179
  133    HE1  TYR  19           HE1      TYR  19  22.684  -8.435  -2.560
  134    HE2  TYR  19           HE2      TYR  19  25.549  -6.254  -4.895
  135    HN1  NH2  20           HN1      NH2  20  25.007  -6.054  -1.209
  136    HN2  NH2  20           HN2      NH2  20  25.567  -4.456  -1.518
  Start of MODEL   16
    1    H1   GLY   1           HT1      GLY   1  10.011   8.699   3.343
    2    H2   GLY   1           HT2      GLY   1   9.923   9.662   4.742
    3    H3   GLY   1           HT3      GLY   1  10.136  10.392   3.223
    4    HA2  GLY   1           HA1      GLY   1   7.740   9.710   4.568
    5    HA3  GLY   1           HA2      GLY   1   7.935  10.623   3.066
    6    H    GLU   2           HN       GLU   2   5.820   9.262   2.587
    7    HA   GLU   2           HA       GLU   2   6.002   6.433   2.171
    8    HB2  GLU   2           HB2      GLU   2   3.885   7.776   2.345
    9    HB3  GLU   2           HB1      GLU   2   4.205   8.406   0.729
   10    HG2  GLU   2           HG2      GLU   2   4.197   6.092  -0.164
   11    HG3  GLU   2           HG1      GLU   2   3.838   5.480   1.451
   12    H    CGU   3           HN       CGU   3   5.878   8.962  -0.374
   13    HA   CGU   3           HA       CGU   3   6.719   7.253  -2.471
   14    HB2  CGU   3           HB1      CGU   3   7.133  10.261  -2.205
   15    HB3  CGU   3           HB2      CGU   3   5.710   9.461  -2.930
   16    HG   CGU   3           HG       CGU   3   8.576   9.177  -3.920
   17    H    CGU   4           HN       CGU   4   8.509   9.340  -0.249
   18    HA   CGU   4           HA       CGU   4  11.130   8.935  -1.274
   19    HB2  CGU   4           HB1      CGU   4  10.084   9.396   1.532
   20    HB3  CGU   4           HB2      CGU   4  10.761  10.593   0.439
   21    HG   CGU   4           HG       CGU   4  12.936   9.202   0.540
   22    H    LEU   5           HN       LEU   5   9.247   7.102   1.171
   23    HA   LEU   5           HA       LEU   5  11.202   4.993   1.434
   24    HB2  LEU   5           HB2      LEU   5   8.262   5.265   2.081
   25    HB3  LEU   5           HB1      LEU   5   9.057   3.673   2.187
   26    HG   LEU   5           HG       LEU   5  10.127   6.152   3.571
   27   HD11  LEU   5          HD11      LEU   5   7.942   5.728   4.512
   28   HD12  LEU   5          HD12      LEU   5   9.141   5.097   5.641
   29   HD13  LEU   5          HD13      LEU   5   8.256   3.994   4.584
   30   HD21  LEU   5          HD21      LEU   5  11.814   4.464   3.328
   31   HD22  LEU   5          HD22      LEU   5  10.676   3.178   3.738
   32   HD23  LEU   5          HD23      LEU   5  11.211   4.310   4.978
   33    H    ALA   6           HN       ALA   6   8.309   5.502  -0.601
   34    HA   ALA   6           HA       ALA   6   8.306   2.952  -1.898
   35    HB1  ALA   6           HB1      ALA   6   7.657   5.513  -3.360
   36    HB2  ALA   6           HB2      ALA   6   6.608   4.926  -2.068
   37    HB3  ALA   6           HB3      ALA   6   6.879   3.936  -3.502
   38    H    CGU   7           HN       CGU   7  10.092   5.940  -2.660
   39    HA   CGU   7           HA       CGU   7  11.432   4.723  -4.969
   40    HB2  CGU   7           HB1      CGU   7  12.763   6.822  -4.971
   41    HB3  CGU   7           HB2      CGU   7  12.035   7.277  -3.432
   42    HG   CGU   7           HG       CGU   7   9.761   7.014  -4.674
   43    H    LYS   8           HN       LYS   8  11.609   3.951  -1.873
   44    HA   LYS   8           HA       LYS   8  14.579   3.542  -1.884
   45    HB2  LYS   8           HB2      LYS   8  13.831   5.129  -0.119
   46    HB3  LYS   8           HB1      LYS   8  12.767   3.874   0.519
   47    HG2  LYS   8           HG2      LYS   8  14.592   3.365   1.813
   48    HG3  LYS   8           HG1      LYS   8  15.074   2.478   0.372
   49    HD2  LYS   8           HD2      LYS   8  15.845   5.352   0.938
   50    HD3  LYS   8           HD1      LYS   8  16.879   3.980   1.234
   51    HE2  LYS   8           HE2      LYS   8  16.550   3.371  -1.231
   52    HE3  LYS   8           HE1      LYS   8  15.874   4.990  -1.419
   53    HZ1  LYS   8           HZ1      LYS   8  18.386   4.867   0.017
   54    HZ2  LYS   8           HZ2      LYS   8  17.877   5.949  -1.189
   55    HZ3  LYS   8           HZ3      LYS   8  18.483   4.419  -1.614
   56    H    ALA   9           HN       ALA   9  11.609   2.239  -0.379
   57    HA   ALA   9           HA       ALA   9  11.024   0.002   0.068
   58    HB1  ALA   9           HB1      ALA   9  12.937  -0.708  -2.174
   59    HB2  ALA   9           HB2      ALA   9  11.311  -0.090  -2.470
   60    HB3  ALA   9           HB3      ALA   9  11.532  -1.625  -1.627
   61    HA   PRO  10           HA       PRO  10  14.742   0.008   2.865
   62    HB2  PRO  10           HB2      PRO  10  13.223  -1.905   4.422
   63    HB3  PRO  10           HB1      PRO  10  13.621  -0.203   4.815
   64    HG2  PRO  10           HG2      PRO  10  11.170  -1.345   3.641
   65    HG3  PRO  10           HG1      PRO  10  11.403   0.163   4.540
   66    HD2  PRO  10           HD2      PRO  10  10.917   0.186   1.895
   67    HD3  PRO  10           HD1      PRO  10  12.033   1.364   2.629
   68    H    CGU  11           HN       CGU  11  13.383  -2.432   0.919
   69    HA   CGU  11           HA       CGU  11  14.941  -4.666   1.814
   70    HB2  CGU  11           HB1      CGU  11  14.491  -4.847  -0.998
   71    HB3  CGU  11           HB2      CGU  11  13.053  -4.113  -0.293
   72    HG   CGU  11           HG       CGU  11  12.811  -5.956   1.269
   73    H    PHE  12           HN       PHE  12  15.554  -1.787  -0.108
   74    HA   PHE  12           HA       PHE  12  17.939  -2.753  -1.435
   75    HB2  PHE  12           HB2      PHE  12  18.298  -0.512  -2.047
   76    HB3  PHE  12           HB1      PHE  12  16.554  -0.518  -1.773
   77    HD1  PHE  12           HD1      PHE  12  19.708   0.900  -0.762
   78    HD2  PHE  12           HD2      PHE  12  15.708   0.105   0.562
   79    HE1  PHE  12           HE1      PHE  12  19.980   2.553   1.069
   80    HE2  PHE  12           HE2      PHE  12  15.975   1.748   2.386
   81    HZ   PHE  12           HZ       PHE  12  18.097   2.977   2.633
   82    H    ALA  13           HN       ALA  13  17.302  -1.107   1.636
   83    HA   ALA  13           HA       ALA  13  19.910  -0.734   2.591
   84    HB1  ALA  13           HB1      ALA  13  17.451  -1.567   4.175
   85    HB2  ALA  13           HB2      ALA  13  17.894   0.089   3.768
   86    HB3  ALA  13           HB3      ALA  13  18.912  -0.852   4.857
   87    H    ARG  14           HN       ARG  14  17.781  -3.576   3.105
   88    HA   ARG  14           HA       ARG  14  19.902  -5.130   4.275
   89    HB2  ARG  14           HB2      ARG  14  17.326  -6.181   3.086
   90    HB3  ARG  14           HB1      ARG  14  18.350  -6.965   4.284
   91    HG2  ARG  14           HG2      ARG  14  17.936  -5.099   5.849
   92    HG3  ARG  14           HG1      ARG  14  16.868  -4.349   4.648
   93    HD2  ARG  14           HD2      ARG  14  15.539  -5.619   6.281
   94    HD3  ARG  14           HD1      ARG  14  15.428  -6.370   4.688
   95    HE   ARG  14           HE       ARG  14  17.576  -7.631   6.014
   96   HH11  ARG  14          HH11      ARG  14  16.143  -7.531   8.474
   97   HH12  ARG  14          HH12      ARG  14  15.043  -8.862   8.389
   98   HH21  ARG  14          HH21      ARG  14  15.334  -9.186   4.965
   99   HH22  ARG  14          HH22      ARG  14  14.582  -9.799   6.395
  100    H    CGU  15           HN       CGU  15  18.586  -4.794   0.992
  101    HA   CGU  15           HA       CGU  15  19.885  -7.056  -0.159
  102    HB2  CGU  15           HB1      CGU  15  19.811  -5.664  -2.323
  103    HB3  CGU  15           HB2      CGU  15  19.030  -4.414  -1.357
  104    HG   CGU  15           HG       CGU  15  17.409  -6.270  -0.595
  105    H    LEU  16           HN       LEU  16  21.153  -3.949   0.798
  106    HA   LEU  16           HA       LEU  16  23.755  -4.823  -0.371
  107    HB2  LEU  16           HB2      LEU  16  24.605  -2.572   0.069
  108    HB3  LEU  16           HB1      LEU  16  23.200  -2.547  -1.009
  109    HG   LEU  16           HG       LEU  16  21.975  -2.332   1.426
  110   HD11  LEU  16          HD11      LEU  16  24.286  -0.448   1.715
  111   HD12  LEU  16          HD12      LEU  16  24.475  -2.107   2.279
  112   HD13  LEU  16          HD13      LEU  16  23.204  -1.087   2.951
  113   HD21  LEU  16          HD21      LEU  16  21.873   0.131   0.906
  114   HD22  LEU  16          HD22      LEU  16  21.474  -0.908  -0.462
  115   HD23  LEU  16          HD23      LEU  16  23.062  -0.147  -0.367
  116    H    ALA  17           HN       ALA  17  21.991  -4.223   2.550
  117    HA   ALA  17           HA       ALA  17  24.016  -4.008   4.481
  118    HB1  ALA  17           HB1      ALA  17  21.537  -4.111   4.976
  119    HB2  ALA  17           HB2      ALA  17  22.516  -5.111   6.046
  120    HB3  ALA  17           HB3      ALA  17  21.616  -5.855   4.727
  121    H    ASN  18           HN       ASN  18  22.873  -6.880   2.700
  122    HA   ASN  18           HA       ASN  18  24.777  -8.643   4.066
  123    HB2  ASN  18           HB2      ASN  18  24.245 -10.200   2.117
  124    HB3  ASN  18           HB1      ASN  18  22.874  -9.733   3.120
  125   HD21  ASN  18          HD21      ASN  18  23.780  -7.039   1.330
  126   HD22  ASN  18          HD22      ASN  18  22.699  -7.237   0.009
  127    H    TYR  19           HN       TYR  19  25.114  -6.249   1.674
  128    HA   TYR  19           HA       TYR  19  27.897  -6.554   1.403
  129    HB2  TYR  19           HB2      TYR  19  28.219  -7.481  -0.764
  130    HB3  TYR  19           HB1      TYR  19  27.114  -8.585   0.038
  131    HD1  TYR  19           HD1      TYR  19  24.707  -8.583  -0.528
  132    HD2  TYR  19           HD2      TYR  19  27.505  -6.084  -2.613
  133    HE1  TYR  19           HE1      TYR  19  23.019  -8.170  -2.295
  134    HE2  TYR  19           HE2      TYR  19  25.816  -5.674  -4.385
  135    HN1  NH2  20           HN1      NH2  20  25.227  -5.595  -0.783
  136    HN2  NH2  20           HN2      NH2  20  25.792  -3.981  -0.981
  Start of MODEL   17
    1    H1   GLY   1           HT1      GLY   1   6.700  10.870   2.645
    2    H2   GLY   1           HT2      GLY   1   8.288  11.409   2.311
    3    H3   GLY   1           HT3      GLY   1   7.620  11.642   3.854
    4    HA2  GLY   1           HA1      GLY   1   9.297   9.724   3.487
    5    HA3  GLY   1           HA2      GLY   1   7.863   9.454   4.474
    6    H    GLU   2           HN       GLU   2   5.849   8.913   2.926
    7    HA   GLU   2           HA       GLU   2   6.041   6.342   1.966
    8    HB2  GLU   2           HB2      GLU   2   4.286   7.518   0.127
    9    HB3  GLU   2           HB1      GLU   2   3.854   6.809   1.678
   10    HG2  GLU   2           HG2      GLU   2   3.030   9.180   1.328
   11    HG3  GLU   2           HG1      GLU   2   3.986   8.944   2.786
   12    H    CGU   3           HN       CGU   3   6.155   9.142  -0.280
   13    HA   CGU   3           HA       CGU   3   6.963   7.669  -2.536
   14    HB2  CGU   3           HB1      CGU   3   7.753  10.537  -1.884
   15    HB3  CGU   3           HB2      CGU   3   6.224  10.036  -2.660
   16    HG   CGU   3           HG       CGU   3   8.992   9.395  -3.740
   17    H    CGU   4           HN       CGU   4   9.064   9.383  -0.162
   18    HA   CGU   4           HA       CGU   4  11.534   8.542  -1.313
   19    HB2  CGU   4           HB1      CGU   4  10.745   9.186   1.540
   20    HB3  CGU   4           HB2      CGU   4  11.681  10.179   0.423
   21    HG   CGU   4           HG       CGU   4  12.550   7.583   1.742
   22    H    LEU   5           HN       LEU   5   9.425   7.053   1.144
   23    HA   LEU   5           HA       LEU   5  10.962   4.663   1.496
   24    HB2  LEU   5           HB2      LEU   5   7.973   5.184   1.699
   25    HB3  LEU   5           HB1      LEU   5   8.742   3.647   2.177
   26    HG   LEU   5           HG       LEU   5   9.613   6.334   3.287
   27   HD11  LEU   5          HD11      LEU   5   7.269   6.009   3.884
   28   HD12  LEU   5          HD12      LEU   5   8.277   5.705   5.298
   29   HD13  LEU   5          HD13      LEU   5   7.600   4.353   4.392
   30   HD21  LEU   5          HD21      LEU   5  10.585   3.643   3.454
   31   HD22  LEU   5          HD22      LEU   5   9.963   4.099   5.038
   32   HD23  LEU   5          HD23      LEU   5  11.209   5.078   4.266
   33    H    ALA   6           HN       ALA   6   8.336   5.547  -0.767
   34    HA   ALA   6           HA       ALA   6   8.259   3.032  -2.170
   35    HB1  ALA   6           HB1      ALA   6   6.940   4.150  -3.753
   36    HB2  ALA   6           HB2      ALA   6   7.852   5.651  -3.600
   37    HB3  ALA   6           HB3      ALA   6   6.716   5.176  -2.338
   38    H    CGU   7           HN       CGU   7  10.194   5.977  -2.631
   39    HA   CGU   7           HA       CGU   7  11.719   4.824  -4.867
   40    HB2  CGU   7           HB1      CGU   7  13.026   6.888  -4.738
   41    HB3  CGU   7           HB2      CGU   7  12.314   7.274  -3.176
   42    HG   CGU   7           HG       CGU   7  10.036   7.204  -4.429
   43    H    LYS   8           HN       LYS   8  11.594   3.654  -2.023
   44    HA   LYS   8           HA       LYS   8  14.541   3.314  -1.718
   45    HB2  LYS   8           HB2      LYS   8  13.610   4.962  -0.034
   46    HB3  LYS   8           HB1      LYS   8  12.671   3.624   0.628
   47    HG2  LYS   8           HG2      LYS   8  14.529   3.251   1.898
   48    HG3  LYS   8           HG1      LYS   8  15.120   2.465   0.440
   49    HD2  LYS   8           HD2      LYS   8  15.563   5.386   1.122
   50    HD3  LYS   8           HD1      LYS   8  16.748   4.124   1.341
   51    HE2  LYS   8           HE2      LYS   8  17.395   4.936  -0.726
   52    HE3  LYS   8           HE1      LYS   8  16.291   3.654  -1.217
   53    HZ1  LYS   8           HZ1      LYS   8  14.846   5.141  -2.061
   54    HZ2  LYS   8           HZ2      LYS   8  16.110   6.274  -1.935
   55    HZ3  LYS   8           HZ3      LYS   8  14.951   6.161  -0.690
   56    H    ALA   9           HN       ALA   9  11.550   2.127  -0.157
   57    HA   ALA   9           HA       ALA   9  10.921  -0.086   0.343
   58    HB1  ALA   9           HB1      ALA   9  11.359  -1.770  -1.350
   59    HB2  ALA   9           HB2      ALA   9  12.687  -0.822  -2.016
   60    HB3  ALA   9           HB3      ALA   9  11.028  -0.252  -2.184
   61    HA   PRO  10           HA       PRO  10  14.794  -0.100   2.927
   62    HB2  PRO  10           HB2      PRO  10  13.332  -1.955   4.613
   63    HB3  PRO  10           HB1      PRO  10  13.792  -0.256   4.948
   64    HG2  PRO  10           HG2      PRO  10  11.246  -1.361   3.953
   65    HG3  PRO  10           HG1      PRO  10  11.570   0.162   4.796
   66    HD2  PRO  10           HD2      PRO  10  10.923   0.121   2.180
   67    HD3  PRO  10           HD1      PRO  10  12.096   1.299   2.817
   68    H    CGU  11           HN       CGU  11  13.216  -2.580   1.194
   69    HA   CGU  11           HA       CGU  11  14.781  -4.843   1.956
   70    HB2  CGU  11           HB1      CGU  11  13.225  -4.060  -0.522
   71    HB3  CGU  11           HB2      CGU  11  12.824  -5.294   0.669
   72    HG   CGU  11           HG       CGU  11  15.169  -5.420  -1.246
   73    H    PHE  12           HN       PHE  12  15.322  -1.968   0.038
   74    HA   PHE  12           HA       PHE  12  17.653  -2.938  -1.403
   75    HB2  PHE  12           HB2      PHE  12  17.861  -0.746  -2.178
   76    HB3  PHE  12           HB1      PHE  12  16.154  -0.749  -1.728
   77    HD1  PHE  12           HD1      PHE  12  15.649  -0.149   0.788
   78    HD2  PHE  12           HD2      PHE  12  19.262   0.907  -1.273
   79    HE1  PHE  12           HE1      PHE  12  16.087   1.607   2.471
   80    HE2  PHE  12           HE2      PHE  12  19.698   2.677   0.412
   81    HZ   PHE  12           HZ       PHE  12  18.101   3.020   2.283
   82    H    ALA  13           HN       ALA  13  17.071  -1.278   1.660
   83    HA   ALA  13           HA       ALA  13  19.731  -0.748   2.450
   84    HB1  ALA  13           HB1      ALA  13  17.316  -1.512   4.132
   85    HB2  ALA  13           HB2      ALA  13  17.840   0.121   3.726
   86    HB3  ALA  13           HB3      ALA  13  18.825  -0.881   4.790
   87    H    ARG  14           HN       ARG  14  17.683  -3.617   3.102
   88    HA   ARG  14           HA       ARG  14  19.860  -5.090   4.273
   89    HB2  ARG  14           HB2      ARG  14  17.305  -6.234   3.119
   90    HB3  ARG  14           HB1      ARG  14  18.367  -6.978   4.310
   91    HG2  ARG  14           HG2      ARG  14  17.919  -5.099   5.860
   92    HG3  ARG  14           HG1      ARG  14  16.797  -4.412   4.669
   93    HD2  ARG  14           HD2      ARG  14  15.477  -6.539   4.758
   94    HD3  ARG  14           HD1      ARG  14  16.544  -7.110   6.044
   95    HE   ARG  14           HE       ARG  14  14.418  -5.124   6.339
   96   HH11  ARG  14          HH11      ARG  14  16.814  -3.724   7.332
   97   HH12  ARG  14          HH12      ARG  14  16.883  -4.217   8.988
   98   HH21  ARG  14          HH21      ARG  14  14.746  -6.888   8.528
   99   HH22  ARG  14          HH22      ARG  14  15.706  -6.009   9.665
  100    H    CGU  15           HN       CGU  15  18.483  -4.823   1.002
  101    HA   CGU  15           HA       CGU  15  19.871  -7.011  -0.187
  102    HB2  CGU  15           HB1      CGU  15  19.829  -5.477  -2.312
  103    HB3  CGU  15           HB2      CGU  15  18.852  -4.407  -1.312
  104    HG   CGU  15           HG       CGU  15  17.386  -6.427  -0.801
  105    H    LEU  16           HN       LEU  16  21.038  -3.853   0.777
  106    HA   LEU  16           HA       LEU  16  23.659  -4.646  -0.408
  107    HB2  LEU  16           HB2      LEU  16  24.442  -2.374   0.008
  108    HB3  LEU  16           HB1      LEU  16  23.005  -2.384  -1.026
  109    HG   LEU  16           HG       LEU  16  21.800  -2.174   1.385
  110   HD11  LEU  16          HD11      LEU  16  23.901  -2.120   2.645
  111   HD12  LEU  16          HD12      LEU  16  23.108  -0.550   2.746
  112   HD13  LEU  16          HD13      LEU  16  24.479  -0.776   1.661
  113   HD21  LEU  16          HD21      LEU  16  21.639   0.240   0.934
  114   HD22  LEU  16          HD22      LEU  16  21.502  -0.678  -0.565
  115   HD23  LEU  16          HD23      LEU  16  23.015   0.134  -0.163
  116    H    ALA  17           HN       ALA  17  21.903  -4.160   2.524
  117    HA   ALA  17           HA       ALA  17  23.923  -3.863   4.445
  118    HB1  ALA  17           HB1      ALA  17  22.500  -5.106   5.993
  119    HB2  ALA  17           HB2      ALA  17  21.616  -5.831   4.651
  120    HB3  ALA  17           HB3      ALA  17  21.473  -4.101   4.972
  121    H    ASN  18           HN       ASN  18  22.915  -6.784   2.649
  122    HA   ASN  18           HA       ASN  18  24.945  -8.439   3.967
  123    HB2  ASN  18           HB2      ASN  18  24.492 -10.016   2.023
  124    HB3  ASN  18           HB1      ASN  18  23.099  -9.632   3.030
  125   HD21  ASN  18          HD21      ASN  18  23.749  -6.861   1.295
  126   HD22  ASN  18          HD22      ASN  18  22.709  -7.137  -0.045
  127    H    TYR  19           HN       TYR  19  25.109  -6.025   1.567
  128    HA   TYR  19           HA       TYR  19  27.913  -6.175   1.277
  129    HB2  TYR  19           HB2      TYR  19  28.242  -7.043  -0.923
  130    HB3  TYR  19           HB1      TYR  19  27.242  -8.228  -0.095
  131    HD1  TYR  19           HD1      TYR  19  24.825  -8.377  -0.567
  132    HD2  TYR  19           HD2      TYR  19  27.372  -5.695  -2.742
  133    HE1  TYR  19           HE1      TYR  19  23.046  -8.068  -2.264
  134    HE2  TYR  19           HE2      TYR  19  25.592  -5.386  -4.445
  135    HN1  NH2  20           HN1      NH2  20  25.158  -5.339  -0.852
  136    HN2  NH2  20           HN2      NH2  20  25.634  -3.698  -1.053
  Start of MODEL   18
    1    H1   GLY   1           HT1      GLY   1   5.861   9.678   3.665
    2    H2   GLY   1           HT2      GLY   1   6.886  10.895   3.048
    3    H3   GLY   1           HT3      GLY   1   6.752  10.671   4.728
    4    HA2  GLY   1           HA1      GLY   1   8.845   9.757   3.668
    5    HA3  GLY   1           HA2      GLY   1   7.925   8.632   4.669
    6    H    GLU   2           HN       GLU   2   5.876   7.908   3.124
    7    HA   GLU   2           HA       GLU   2   6.618   5.846   1.478
    8    HB2  GLU   2           HB2      GLU   2   4.430   6.156   0.338
    9    HB3  GLU   2           HB1      GLU   2   4.292   6.326   2.085
   10    HG2  GLU   2           HG2      GLU   2   4.218   8.493  -0.025
   11    HG3  GLU   2           HG1      GLU   2   3.037   8.152   1.232
   12    H    CGU   3           HN       CGU   3   6.210   9.219   0.428
   13    HA   CGU   3           HA       CGU   3   6.711   8.911  -2.323
   14    HB2  CGU   3           HB1      CGU   3   7.586  11.209  -0.523
   15    HB3  CGU   3           HB2      CGU   3   5.962  11.027  -1.231
   16    HG   CGU   3           HG       CGU   3   7.169  12.560  -2.631
   17    H    CGU   4           HN       CGU   4   9.040   9.380   0.333
   18    HA   CGU   4           HA       CGU   4  11.310   8.974  -1.511
   19    HB2  CGU   4           HB1      CGU   4  11.099   9.530   1.464
   20    HB3  CGU   4           HB2      CGU   4  11.737  10.589   0.206
   21    HG   CGU   4           HG       CGU   4  12.966   7.968   1.134
   22    H    LEU   5           HN       LEU   5   9.610   7.319   1.122
   23    HA   LEU   5           HA       LEU   5  11.358   5.039   1.226
   24    HB2  LEU   5           HB2      LEU   5   8.437   5.340   1.982
   25    HB3  LEU   5           HB1      LEU   5   9.434   3.914   2.371
   26    HG   LEU   5           HG       LEU   5  10.183   6.740   3.189
   27   HD11  LEU   5          HD11      LEU   5   9.223   4.851   5.245
   28   HD12  LEU   5          HD12      LEU   5   7.974   5.417   4.134
   29   HD13  LEU   5          HD13      LEU   5   8.916   6.578   5.069
   30   HD21  LEU   5          HD21      LEU   5  11.113   3.958   3.968
   31   HD22  LEU   5          HD22      LEU   5  11.555   5.415   4.862
   32   HD23  LEU   5          HD23      LEU   5  12.061   5.223   3.185
   33    H    ALA   6           HN       ALA   6   8.419   5.757  -0.686
   34    HA   ALA   6           HA       ALA   6   7.949   3.191  -1.776
   35    HB1  ALA   6           HB1      ALA   6   7.105   4.407  -3.807
   36    HB2  ALA   6           HB2      ALA   6   7.774   5.897  -3.142
   37    HB3  ALA   6           HB3      ALA   6   6.475   5.058  -2.294
   38    H    CGU   7           HN       CGU   7  10.112   5.696  -3.155
   39    HA   CGU   7           HA       CGU   7  11.192   3.871  -5.132
   40    HB2  CGU   7           HB1      CGU   7  12.269   5.666  -5.979
   41    HB3  CGU   7           HB2      CGU   7  13.031   6.031  -4.434
   42    HG   CGU   7           HG       CGU   7  11.035   7.194  -3.675
   43    H    LYS   8           HN       LYS   8  11.829   4.530  -1.821
   44    HA   LYS   8           HA       LYS   8  14.531   3.439  -1.760
   45    HB2  LYS   8           HB2      LYS   8  13.617   5.042  -0.049
   46    HB3  LYS   8           HB1      LYS   8  12.579   3.734   0.528
   47    HG2  LYS   8           HG2      LYS   8  14.355   3.262   1.891
   48    HG3  LYS   8           HG1      LYS   8  14.963   2.450   0.454
   49    HD2  LYS   8           HD2      LYS   8  15.544   5.332   1.209
   50    HD3  LYS   8           HD1      LYS   8  16.655   3.999   1.404
   51    HE2  LYS   8           HE2      LYS   8  16.661   3.612  -1.022
   52    HE3  LYS   8           HE1      LYS   8  15.519   4.940  -1.232
   53    HZ1  LYS   8           HZ1      LYS   8  17.135   6.445  -1.056
   54    HZ2  LYS   8           HZ2      LYS   8  18.235   5.158  -1.238
   55    HZ3  LYS   8           HZ3      LYS   8  17.805   5.700   0.316
   56    H    ALA   9           HN       ALA   9  11.457   2.238  -0.405
   57    HA   ALA   9           HA       ALA   9  10.765   0.022  -0.014
   58    HB1  ALA   9           HB1      ALA   9  11.227  -0.029  -2.557
   59    HB2  ALA   9           HB2      ALA   9  11.223  -1.580  -1.715
   60    HB3  ALA   9           HB3      ALA   9  12.754  -0.809  -2.139
   61    HA   PRO  10           HA       PRO  10  14.348  -0.082   2.968
   62    HB2  PRO  10           HB2      PRO  10  12.676  -1.906   4.477
   63    HB3  PRO  10           HB1      PRO  10  13.113  -0.210   4.853
   64    HG2  PRO  10           HG2      PRO  10  10.698  -1.298   3.555
   65    HG3  PRO  10           HG1      PRO  10  10.924   0.214   4.450
   66    HD2  PRO  10           HD2      PRO  10  10.595   0.222   1.786
   67    HD3  PRO  10           HD1      PRO  10  11.717   1.364   2.564
   68    H    CGU  11           HN       CGU  11  13.564  -2.271   0.709
   69    HA   CGU  11           HA       CGU  11  14.849  -4.613   1.954
   70    HB2  CGU  11           HB1      CGU  11  14.443  -4.971  -0.849
   71    HB3  CGU  11           HB2      CGU  11  13.000  -4.185  -0.215
   72    HG   CGU  11           HG       CGU  11  12.720  -5.924   1.454
   73    H    PHE  12           HN       PHE  12  15.513  -1.858  -0.078
   74    HA   PHE  12           HA       PHE  12  17.870  -2.880  -1.400
   75    HB2  PHE  12           HB2      PHE  12  18.246  -0.648  -2.080
   76    HB3  PHE  12           HB1      PHE  12  16.495  -0.682  -1.849
   77    HD1  PHE  12           HD1      PHE  12  15.616  -0.064   0.522
   78    HD2  PHE  12           HD2      PHE  12  19.550   0.914  -0.895
   79    HE1  PHE  12           HE1      PHE  12  15.846   1.611   2.325
   80    HE2  PHE  12           HE2      PHE  12  19.773   2.604   0.906
   81    HZ   PHE  12           HZ       PHE  12  17.915   2.939   2.517
   82    H    ALA  13           HN       ALA  13  17.385  -0.981   1.568
   83    HA   ALA  13           HA       ALA  13  20.022  -0.629   2.408
   84    HB1  ALA  13           HB1      ALA  13  17.532  -0.181   3.511
   85    HB2  ALA  13           HB2      ALA  13  19.063   0.083   4.347
   86    HB3  ALA  13           HB3      ALA  13  18.185  -1.429   4.575
   87    H    ARG  14           HN       ARG  14  17.885  -3.423   2.910
   88    HA   ARG  14           HA       ARG  14  19.940  -4.936   4.285
   89    HB2  ARG  14           HB2      ARG  14  17.375  -6.067   3.153
   90    HB3  ARG  14           HB1      ARG  14  18.316  -6.646   4.522
   91    HG2  ARG  14           HG2      ARG  14  17.760  -4.705   5.829
   92    HG3  ARG  14           HG1      ARG  14  16.996  -3.921   4.440
   93    HD2  ARG  14           HD2      ARG  14  15.862  -6.555   4.896
   94    HD3  ARG  14           HD1      ARG  14  15.725  -5.544   6.337
   95    HE   ARG  14           HE       ARG  14  14.936  -3.935   4.121
   96   HH11  ARG  14          HH11      ARG  14  13.826  -6.744   3.503
   97   HH12  ARG  14          HH12      ARG  14  12.227  -6.593   4.168
   98   HH21  ARG  14          HH21      ARG  14  12.978  -3.738   5.950
   99   HH22  ARG  14          HH22      ARG  14  11.748  -4.882   5.543
  100    H    CGU  15           HN       CGU  15  18.602  -4.822   0.988
  101    HA   CGU  15           HA       CGU  15  19.894  -7.161  -0.013
  102    HB2  CGU  15           HB1      CGU  15  19.748  -5.947  -2.265
  103    HB3  CGU  15           HB2      CGU  15  19.026  -4.602  -1.381
  104    HG   CGU  15           HG       CGU  15  17.432  -6.411  -0.393
  105    H    LEU  16           HN       LEU  16  21.129  -4.017   0.771
  106    HA   LEU  16           HA       LEU  16  23.734  -4.876  -0.401
  107    HB2  LEU  16           HB2      LEU  16  24.534  -2.587  -0.039
  108    HB3  LEU  16           HB1      LEU  16  23.131  -2.639  -1.117
  109    HG   LEU  16           HG       LEU  16  21.845  -2.345   1.239
  110   HD11  LEU  16          HD11      LEU  16  24.630  -1.705   1.780
  111   HD12  LEU  16          HD12      LEU  16  23.272  -1.827   2.900
  112   HD13  LEU  16          HD13      LEU  16  23.586  -0.309   2.057
  113   HD21  LEU  16          HD21      LEU  16  23.091  -0.147  -0.436
  114   HD22  LEU  16          HD22      LEU  16  21.774   0.093   0.711
  115   HD23  LEU  16          HD23      LEU  16  21.528  -0.918  -0.711
  116    H    ALA  17           HN       ALA  17  21.988  -4.198   2.519
  117    HA   ALA  17           HA       ALA  17  24.018  -3.865   4.419
  118    HB1  ALA  17           HB1      ALA  17  21.604  -4.001   5.025
  119    HB2  ALA  17           HB2      ALA  17  22.579  -5.083   6.015
  120    HB3  ALA  17           HB3      ALA  17  21.630  -5.731   4.680
  121    H    ASN  18           HN       ASN  18  22.938  -6.836   2.766
  122    HA   ASN  18           HA       ASN  18  24.919  -8.492   4.150
  123    HB2  ASN  18           HB2      ASN  18  24.409 -10.134   2.281
  124    HB3  ASN  18           HB1      ASN  18  23.023  -9.647   3.253
  125   HD21  ASN  18          HD21      ASN  18  23.844  -7.001   1.384
  126   HD22  ASN  18          HD22      ASN  18  22.792  -7.284   0.053
  127    H    TYR  19           HN       TYR  19  25.162  -6.180   1.660
  128    HA   TYR  19           HA       TYR  19  27.952  -6.424   1.373
  129    HB2  TYR  19           HB2      TYR  19  28.280  -7.462  -0.731
  130    HB3  TYR  19           HB1      TYR  19  27.156  -8.526   0.099
  131    HD1  TYR  19           HD1      TYR  19  27.571  -6.077  -2.614
  132    HD2  TYR  19           HD2      TYR  19  24.785  -8.585  -0.522
  133    HE1  TYR  19           HE1      TYR  19  25.901  -5.729  -4.418
  134    HE2  TYR  19           HE2      TYR  19  23.117  -8.237  -2.321
  135    HN1  NH2  20           HN1      NH2  20  25.217  -5.609  -0.793
  136    HN2  NH2  20           HN2      NH2  20  25.741  -3.991  -1.065
  Start of MODEL   19
    1    H1   GLY   1           HT1      GLY   1   7.198  11.152   1.524
    2    H2   GLY   1           HT2      GLY   1   6.867  11.813   3.060
    3    H3   GLY   1           HT3      GLY   1   5.754  10.739   2.335
    4    HA2  GLY   1           HA1      GLY   1   8.532  10.007   3.156
    5    HA3  GLY   1           HA2      GLY   1   7.084   9.663   4.105
    6    H    GLU   2           HN       GLU   2   5.268   8.817   2.458
    7    HA   GLU   2           HA       GLU   2   5.754   6.168   1.803
    8    HB2  GLU   2           HB2      GLU   2   3.780   6.364   0.308
    9    HB3  GLU   2           HB1      GLU   2   3.520   7.168   1.851
   10    HG2  GLU   2           HG2      GLU   2   3.972   8.398  -0.866
   11    HG3  GLU   2           HG1      GLU   2   2.708   8.744   0.304
   12    H    CGU   3           HN       CGU   3   5.893   8.893  -0.533
   13    HA   CGU   3           HA       CGU   3   6.921   7.294  -2.681
   14    HB2  CGU   3           HB1      CGU   3   7.103  10.292  -2.173
   15    HB3  CGU   3           HB2      CGU   3   5.853   9.454  -3.132
   16    HG   CGU   3           HG       CGU   3   8.831   9.447  -3.755
   17    H    CGU   4           HN       CGU   4   8.451   9.417  -0.266
   18    HA   CGU   4           HA       CGU   4  11.149   9.111  -1.097
   19    HB2  CGU   4           HB1      CGU   4  11.669   9.564   1.329
   20    HB3  CGU   4           HB2      CGU   4   9.950   9.448   1.674
   21    HG   CGU   4           HG       CGU   4  11.306  11.459  -0.153
   22    H    LEU   5           HN       LEU   5   9.100   7.189   1.081
   23    HA   LEU   5           HA       LEU   5  11.119   5.162   1.578
   24    HB2  LEU   5           HB2      LEU   5   8.088   5.157   1.839
   25    HB3  LEU   5           HB1      LEU   5   9.124   3.790   2.333
   26    HG   LEU   5           HG       LEU   5   9.511   6.620   3.364
   27   HD11  LEU   5          HD11      LEU   5   7.863   4.327   4.457
   28   HD12  LEU   5          HD12      LEU   5   7.330   5.973   4.118
   29   HD13  LEU   5          HD13      LEU   5   8.426   5.660   5.463
   30   HD21  LEU   5          HD21      LEU   5  10.556   3.874   4.093
   31   HD22  LEU   5          HD22      LEU   5  10.626   5.223   5.226
   32   HD23  LEU   5          HD23      LEU   5  11.480   5.321   3.687
   33    H    ALA   6           HN       ALA   6   8.386   5.540  -0.697
   34    HA   ALA   6           HA       ALA   6   8.629   2.989  -1.976
   35    HB1  ALA   6           HB1      ALA   6   7.932   5.568  -3.409
   36    HB2  ALA   6           HB2      ALA   6   6.801   4.764  -2.322
   37    HB3  ALA   6           HB3      ALA   6   7.364   3.939  -3.775
   38    H    CGU   7           HN       CGU   7  10.337   6.056  -2.477
   39    HA   CGU   7           HA       CGU   7  11.908   5.061  -4.732
   40    HB2  CGU   7           HB1      CGU   7  13.242   7.143  -4.361
   41    HB3  CGU   7           HB2      CGU   7  12.324   7.444  -2.888
   42    HG   CGU   7           HG       CGU   7  10.225   7.305  -4.437
   43    H    LYS   8           HN       LYS   8  11.821   4.126  -1.620
   44    HA   LYS   8           HA       LYS   8  14.769   3.585  -1.485
   45    HB2  LYS   8           HB2      LYS   8  13.976   5.170   0.270
   46    HB3  LYS   8           HB1      LYS   8  12.849   3.932   0.832
   47    HG2  LYS   8           HG2      LYS   8  14.596   3.332   2.193
   48    HG3  LYS   8           HG1      LYS   8  15.132   2.481   0.750
   49    HD2  LYS   8           HD2      LYS   8  15.897   5.347   1.353
   50    HD3  LYS   8           HD1      LYS   8  16.886   3.981   1.802
   51    HE2  LYS   8           HE2      LYS   8  16.766   3.281  -0.669
   52    HE3  LYS   8           HE1      LYS   8  16.152   4.909  -0.968
   53    HZ1  LYS   8           HZ1      LYS   8  18.172   5.769  -0.730
   54    HZ2  LYS   8           HZ2      LYS   8  18.782   4.184  -0.774
   55    HZ3  LYS   8           HZ3      LYS   8  18.457   4.930   0.716
   56    H    ALA   9           HN       ALA   9  11.665   2.405  -0.172
   57    HA   ALA   9           HA       ALA   9  10.944   0.202   0.221
   58    HB1  ALA   9           HB1      ALA   9  11.899  -1.530  -1.423
   59    HB2  ALA   9           HB2      ALA   9  12.784  -0.189  -2.150
   60    HB3  ALA   9           HB3      ALA   9  11.022  -0.177  -2.136
   61    HA   PRO  10           HA       PRO  10  14.501  -0.046   3.222
   62    HB2  PRO  10           HB2      PRO  10  12.763  -1.830   4.701
   63    HB3  PRO  10           HB1      PRO  10  13.258  -0.156   5.101
   64    HG2  PRO  10           HG2      PRO  10  10.805  -1.140   3.801
   65    HG3  PRO  10           HG1      PRO  10  11.093   0.361   4.694
   66    HD2  PRO  10           HD2      PRO  10  10.756   0.368   2.025
   67    HD3  PRO  10           HD1      PRO  10  11.895   1.488   2.809
   68    H    CGU  11           HN       CGU  11  13.655  -2.156   0.929
   69    HA   CGU  11           HA       CGU  11  14.873  -4.566   2.114
   70    HB2  CGU  11           HB1      CGU  11  14.405  -4.833  -0.697
   71    HB3  CGU  11           HB2      CGU  11  12.993  -4.041  -0.003
   72    HG   CGU  11           HG       CGU  11  12.723  -5.830   1.617
   73    H    PHE  12           HN       PHE  12  15.570  -1.791   0.105
   74    HA   PHE  12           HA       PHE  12  17.877  -2.841  -1.275
   75    HB2  PHE  12           HB2      PHE  12  18.313  -0.599  -1.884
   76    HB3  PHE  12           HB1      PHE  12  16.567  -0.584  -1.622
   77    HD1  PHE  12           HD1      PHE  12  15.736  -0.001   0.756
   78    HD2  PHE  12           HD2      PHE  12  19.705   0.847  -0.639
   79    HE1  PHE  12           HE1      PHE  12  16.031   1.617   2.600
   80    HE2  PHE  12           HE2      PHE  12  19.998   2.481   1.206
   81    HZ   PHE  12           HZ       PHE  12  18.150   2.860   2.822
   82    H    ALA  13           HN       ALA  13  17.482  -1.038   1.762
   83    HA   ALA  13           HA       ALA  13  20.123  -0.757   2.590
   84    HB1  ALA  13           HB1      ALA  13  17.934  -0.021   3.765
   85    HB2  ALA  13           HB2      ALA  13  19.277  -0.510   4.795
   86    HB3  ALA  13           HB3      ALA  13  17.942  -1.624   4.501
   87    H    ARG  14           HN       ARG  14  17.969  -3.549   3.104
   88    HA   ARG  14           HA       ARG  14  20.077  -5.132   4.295
   89    HB2  ARG  14           HB2      ARG  14  17.427  -6.159   3.257
   90    HB3  ARG  14           HB1      ARG  14  18.442  -6.848   4.521
   91    HG2  ARG  14           HG2      ARG  14  18.045  -4.948   5.965
   92    HG3  ARG  14           HG1      ARG  14  17.167  -4.100   4.686
   93    HD2  ARG  14           HD2      ARG  14  16.060  -6.751   5.140
   94    HD3  ARG  14           HD1      ARG  14  16.053  -5.789   6.620
   95    HE   ARG  14           HE       ARG  14  15.082  -4.082   4.586
   96   HH11  ARG  14          HH11      ARG  14  13.908  -6.626   3.563
   97   HH12  ARG  14          HH12      ARG  14  12.379  -6.665   4.388
   98   HH21  ARG  14          HH21      ARG  14  13.321  -4.335   6.749
   99   HH22  ARG  14          HH22      ARG  14  12.050  -5.368   6.194
  100    H    CGU  15           HN       CGU  15  18.608  -4.860   1.065
  101    HA   CGU  15           HA       CGU  15  19.810  -7.182  -0.085
  102    HB2  CGU  15           HB1      CGU  15  19.631  -5.857  -2.278
  103    HB3  CGU  15           HB2      CGU  15  18.945  -4.552  -1.312
  104    HG   CGU  15           HG       CGU  15  17.311  -6.317  -0.399
  105    H    LEU  16           HN       LEU  16  21.144  -4.096   0.774
  106    HA   LEU  16           HA       LEU  16  23.677  -4.957  -0.537
  107    HB2  LEU  16           HB2      LEU  16  24.535  -2.701  -0.137
  108    HB3  LEU  16           HB1      LEU  16  23.074  -2.680  -1.134
  109    HG   LEU  16           HG       LEU  16  21.933  -2.461   1.307
  110   HD11  LEU  16          HD11      LEU  16  24.775  -1.658   1.600
  111   HD12  LEU  16          HD12      LEU  16  23.628  -2.209   2.820
  112   HD13  LEU  16          HD13      LEU  16  23.587  -0.537   2.265
  113   HD21  LEU  16          HD21      LEU  16  23.128  -0.189  -0.307
  114   HD22  LEU  16          HD22      LEU  16  21.827  -0.026   0.872
  115   HD23  LEU  16          HD23      LEU  16  21.568  -0.957  -0.602
  116    H    ALA  17           HN       ALA  17  22.063  -4.377   2.474
  117    HA   ALA  17           HA       ALA  17  24.177  -4.152   4.301
  118    HB1  ALA  17           HB1      ALA  17  21.762  -4.276   4.965
  119    HB2  ALA  17           HB2      ALA  17  22.778  -5.355   5.918
  120    HB3  ALA  17           HB3      ALA  17  21.785  -6.005   4.614
  121    H    ASN  18           HN       ASN  18  22.974  -7.031   2.568
  122    HA   ASN  18           HA       ASN  18  24.985  -8.770   3.803
  123    HB2  ASN  18           HB2      ASN  18  24.364 -10.331   1.894
  124    HB3  ASN  18           HB1      ASN  18  23.040  -9.875   2.962
  125   HD21  ASN  18          HD21      ASN  18  23.808  -7.169   1.141
  126   HD22  ASN  18          HD22      ASN  18  22.670  -7.383  -0.129
  127    H    TYR  19           HN       TYR  19  25.154  -6.370   1.394
  128    HA   TYR  19           HA       TYR  19  27.923  -6.656   0.966
  129    HB2  TYR  19           HB2      TYR  19  28.131  -7.607  -1.194
  130    HB3  TYR  19           HB1      TYR  19  27.030  -8.688  -0.356
  131    HD1  TYR  19           HD1      TYR  19  27.357  -6.132  -2.982
  132    HD2  TYR  19           HD2      TYR  19  24.630  -8.681  -0.862
  133    HE1  TYR  19           HE1      TYR  19  25.609  -5.680  -4.683
  134    HE2  TYR  19           HE2      TYR  19  22.883  -8.228  -2.564
  135    HN1  NH2  20           HN1      NH2  20  25.118  -5.700  -1.044
  136    HN2  NH2  20           HN2      NH2  20  25.658  -4.080  -1.264
  Start of MODEL   20
    1    H1   GLY   1           HT1      GLY   1   3.710   8.090   1.683
    2    H2   GLY   1           HT2      GLY   1   4.935   9.284   1.592
    3    H3   GLY   1           HT3      GLY   1   3.983   9.143   2.999
    4    HA2  GLY   1           HA1      GLY   1   6.235   8.191   3.272
    5    HA3  GLY   1           HA2      GLY   1   4.942   7.018   3.526
    6    H    GLU   2           HN       GLU   2   4.244   5.898   1.412
    7    HA   GLU   2           HA       GLU   2   6.218   4.266   0.348
    8    HB2  GLU   2           HB2      GLU   2   4.449   4.719  -1.807
    9    HB3  GLU   2           HB1      GLU   2   4.342   3.438  -0.603
   10    HG2  GLU   2           HG2      GLU   2   2.247   4.841  -0.812
   11    HG3  GLU   2           HG1      GLU   2   2.917   4.791   0.815
   12    H    CGU   3           HN       CGU   3   4.893   7.066  -1.423
   13    HA   CGU   3           HA       CGU   3   6.782   7.187  -3.498
   14    HB2  CGU   3           HB1      CGU   3   5.575   9.623  -2.138
   15    HB3  CGU   3           HB2      CGU   3   4.615   8.536  -3.168
   16    HG   CGU   3           HG       CGU   3   5.231   9.988  -4.801
   17    H    CGU   4           HN       CGU   4   6.927   8.543  -0.246
   18    HA   CGU   4           HA       CGU   4   9.478   9.871  -0.596
   19    HB2  CGU   4           HB1      CGU   4   9.453   9.910   1.915
   20    HB3  CGU   4           HB2      CGU   4   7.997   8.929   1.886
   21    HG   CGU   4           HG       CGU   4   8.330  11.736   0.778
   22    H    LEU   5           HN       LEU   5   8.396   6.775   0.772
   23    HA   LEU   5           HA       LEU   5  11.071   5.841   1.399
   24    HB2  LEU   5           HB2      LEU   5   8.403   4.418   1.109
   25    HB3  LEU   5           HB1      LEU   5   9.902   3.610   1.645
   26    HG   LEU   5           HG       LEU   5   8.849   6.111   2.997
   27   HD11  LEU   5          HD11      LEU   5   7.090   4.410   3.140
   28   HD12  LEU   5          HD12      LEU   5   7.880   4.588   4.706
   29   HD13  LEU   5          HD13      LEU   5   8.266   3.211   3.676
   30   HD21  LEU   5          HD21      LEU   5  10.208   4.319   4.730
   31   HD22  LEU   5          HD22      LEU   5  10.775   5.879   4.144
   32   HD23  LEU   5          HD23      LEU   5  11.164   4.410   3.254
   33    H    ALA   6           HN       ALA   6   8.837   5.421  -1.356
   34    HA   ALA   6           HA       ALA   6  10.174   3.391  -2.779
   35    HB1  ALA   6           HB1      ALA   6   8.302   5.495  -3.397
   36    HB2  ALA   6           HB2      ALA   6   8.558   3.972  -4.248
   37    HB3  ALA   6           HB3      ALA   6   9.502   5.397  -4.685
   38    H    CGU   7           HN       CGU   7  11.283   6.557  -2.014
   39    HA   CGU   7           HA       CGU   7  13.342   6.690  -4.099
   40    HB2  CGU   7           HB1      CGU   7  14.033   8.723  -3.023
   41    HB3  CGU   7           HB2      CGU   7  13.254   8.264  -1.508
   42    HG   CGU   7           HG       CGU   7  11.055   8.245  -2.846
   43    H    LYS   8           HN       LYS   8  12.929   4.918  -1.292
   44    HA   LYS   8           HA       LYS   8  15.754   4.089  -1.314
   45    HB2  LYS   8           HB2      LYS   8  15.670   6.048   0.262
   46    HB3  LYS   8           HB1      LYS   8  14.531   5.128   1.249
   47    HG2  LYS   8           HG2      LYS   8  16.421   4.331   2.266
   48    HG3  LYS   8           HG1      LYS   8  16.474   3.264   0.871
   49    HD2  LYS   8           HD2      LYS   8  17.785   5.989   0.901
   50    HD3  LYS   8           HD1      LYS   8  18.629   4.528   1.338
   51    HE2  LYS   8           HE2      LYS   8  19.159   4.469  -0.877
   52    HE3  LYS   8           HE1      LYS   8  17.556   3.753  -1.034
   53    HZ1  LYS   8           HZ1      LYS   8  16.654   5.702  -1.832
   54    HZ2  LYS   8           HZ2      LYS   8  18.251   5.865  -2.414
   55    HZ3  LYS   8           HZ3      LYS   8  17.775   6.680  -1.004
   56    H    ALA   9           HN       ALA   9  12.938   3.871   0.864
   57    HA   ALA   9           HA       ALA   9  11.868   1.969   1.734
   58    HB1  ALA   9           HB1      ALA   9  12.656  -0.008  -0.202
   59    HB2  ALA   9           HB2      ALA   9  12.289   1.494  -1.048
   60    HB3  ALA   9           HB3      ALA   9  11.079   0.755   0.000
   61    HA   PRO  10           HA       PRO  10  15.982   1.153   3.761
   62    HB2  PRO  10           HB2      PRO  10  14.393   0.013   5.902
   63    HB3  PRO  10           HB1      PRO  10  15.326   1.540   5.881
   64    HG2  PRO  10           HG2      PRO  10  12.455   1.079   5.432
   65    HG3  PRO  10           HG1      PRO  10  13.303   2.546   5.947
   66    HD2  PRO  10           HD2      PRO  10  12.217   2.334   3.489
   67    HD3  PRO  10           HD1      PRO  10  13.730   3.230   3.757
   68    H    CGU  11           HN       CGU  11  14.115  -0.922   2.128
   69    HA   CGU  11           HA       CGU  11  15.077  -3.427   3.357
   70    HB2  CGU  11           HB1      CGU  11  13.099  -2.665   1.218
   71    HB3  CGU  11           HB2      CGU  11  12.878  -3.733   2.597
   72    HG   CGU  11           HG       CGU  11  14.556  -4.389   0.157
   73    H    PHE  12           HN       PHE  12  15.804  -1.084   0.909
   74    HA   PHE  12           HA       PHE  12  17.431  -2.754  -0.812
   75    HB2  PHE  12           HB2      PHE  12  18.052  -0.742  -1.868
   76    HB3  PHE  12           HB1      PHE  12  16.481  -0.316  -1.185
   77    HD1  PHE  12           HD1      PHE  12  16.510   0.623   1.264
   78    HD2  PHE  12           HD2      PHE  12  19.923   0.572  -1.337
   79    HE1  PHE  12           HE1      PHE  12  17.599   2.343   2.668
   80    HE2  PHE  12           HE2      PHE  12  21.010   2.307   0.064
   81    HZ   PHE  12           HZ       PHE  12  19.840   3.188   2.069
   82    H    ALA  13           HN       ALA  13  18.066  -0.651   1.967
   83    HA   ALA  13           HA       ALA  13  20.850  -0.781   2.142
   84    HB1  ALA  13           HB1      ALA  13  19.818   0.615   3.731
   85    HB2  ALA  13           HB2      ALA  13  20.349  -0.747   4.717
   86    HB3  ALA  13           HB3      ALA  13  18.662  -0.627   4.214
   87    H    ARG  14           HN       ARG  14  18.443  -3.048   3.483
   88    HA   ARG  14           HA       ARG  14  20.482  -4.896   4.359
   89    HB2  ARG  14           HB2      ARG  14  17.529  -5.463   4.035
   90    HB3  ARG  14           HB1      ARG  14  18.680  -6.306   5.071
   91    HG2  ARG  14           HG2      ARG  14  19.079  -4.202   6.316
   92    HG3  ARG  14           HG1      ARG  14  17.863  -3.398   5.306
   93    HD2  ARG  14           HD2      ARG  14  16.255  -5.262   6.080
   94    HD3  ARG  14           HD1      ARG  14  17.455  -5.605   7.332
   95    HE   ARG  14           HE       ARG  14  17.136  -3.239   8.117
   96   HH11  ARG  14          HH11      ARG  14  14.710  -4.191   9.014
   97   HH12  ARG  14          HH12      ARG  14  13.494  -3.332   8.135
   98   HH21  ARG  14          HH21      ARG  14  15.658  -2.320   5.631
   99   HH22  ARG  14          HH22      ARG  14  14.027  -2.291   6.222
  100    H    CGU  15           HN       CGU  15  18.389  -4.582   1.491
  101    HA   CGU  15           HA       CGU  15  18.912  -7.150   0.360
  102    HB2  CGU  15           HB1      CGU  15  18.679  -5.846  -1.907
  103    HB3  CGU  15           HB2      CGU  15  18.240  -4.485  -0.881
  104    HG   CGU  15           HG       CGU  15  16.546  -6.031   0.227
  105    H    LEU  16           HN       LEU  16  20.938  -4.326   0.610
  106    HA   LEU  16           HA       LEU  16  22.953  -5.800  -1.020
  107    HB2  LEU  16           HB2      LEU  16  24.265  -3.749  -1.110
  108    HB3  LEU  16           HB1      LEU  16  22.643  -3.500  -1.771
  109    HG   LEU  16           HG       LEU  16  22.102  -2.785   0.737
  110   HD11  LEU  16          HD11      LEU  16  23.872  -2.345   2.071
  111   HD12  LEU  16          HD12      LEU  16  24.721  -1.495   0.781
  112   HD13  LEU  16          HD13      LEU  16  24.850  -3.248   0.915
  113   HD21  LEU  16          HD21      LEU  16  23.221  -1.289  -1.581
  114   HD22  LEU  16          HD22      LEU  16  23.134  -0.424  -0.047
  115   HD23  LEU  16          HD23      LEU  16  21.672  -1.100  -0.761
  116    H    ALA  17           HN       ALA  17  22.135  -4.660   2.148
  117    HA   ALA  17           HA       ALA  17  24.604  -4.711   3.480
  118    HB1  ALA  17           HB1      ALA  17  23.408  -5.421   5.484
  119    HB2  ALA  17           HB2      ALA  17  22.067  -6.031   4.514
  120    HB3  ALA  17           HB3      ALA  17  22.381  -4.295   4.598
  121    H    ASN  18           HN       ASN  18  22.561  -7.420   2.365
  122    HA   ASN  18           HA       ASN  18  24.436  -9.420   3.413
  123    HB2  ASN  18           HB2      ASN  18  23.174 -10.974   1.831
  124    HB3  ASN  18           HB1      ASN  18  22.207 -10.197   3.082
  125   HD21  ASN  18          HD21      ASN  18  23.028  -7.830   0.851
  126   HD22  ASN  18          HD22      ASN  18  21.624  -7.913  -0.136
  127    H    TYR  19           HN       TYR  19  24.537  -7.303   0.751
  128    HA   TYR  19           HA       TYR  19  27.075  -8.144  -0.131
  129    HB2  TYR  19           HB2      TYR  19  26.676  -9.255  -2.196
  130    HB3  TYR  19           HB1      TYR  19  25.646 -10.076  -1.033
  131    HD1  TYR  19           HD1      TYR  19  23.212  -9.649  -0.990
  132    HD2  TYR  19           HD2      TYR  19  25.748  -7.882  -3.969
  133    HE1  TYR  19           HE1      TYR  19  21.216  -9.047  -2.331
  134    HE2  TYR  19           HE2      TYR  19  23.748  -7.282  -5.312
  135    HN1  NH2  20           HN1      NH2  20  24.130  -6.844  -1.704
  136    HN2  NH2  20           HN2      NH2  20  24.884  -5.379  -2.208