*HEADER    BIOSYNTHETIC PROTEIN                    21-MAR-19   6OC4              
*TITLE     CSP1-CYC(DAB6E10)                                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: COMPETENCE-STIMULATING PEPTIDE TYPE 1;                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CSP-1;                                                      
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES;                                                       
*COMPND   7 OTHER_DETAILS: DAB AND GLU WERE CHEMICALLY ADDED TO THE 6TH AND 10TH 
*COMPND   8 POSITIONS CHEMICALLY AND THEN CYCLIZED. HOWEVER, DURING STRUCTURE    
*COMPND   9 CALCULATION, GLU10 WAS LABELED AS GLN10 TO CONSTRUCT THE MACROCYCLE  
*COMPND  10 FOR CONVENIENCE. GLN10 WAS KEPT IN THE FINAL COORDINATE FILE AND     
*COMPND  11 CHEMICAL SHIFT FILE FOR CONSISTENCY. THE ACTUAL SEQUENCE IS STILL:   
*COMPND  12 EMRLS(DAB)FFR(GLU)FILQRKK                                            
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE;                       
*SOURCE   4 ORGANISM_TAXID: 1313                                                 
*KEYWDS    QUORUM SENSING MODULATOR, BIOSYNTHETIC PROTEIN                        
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Y.YANG                                                                
*REVDAT   1   08-JAN-20 6OC4    0                                                
# Restraints file 1: CSP1CYCDab6E10_NOE.tbl
assign (resid   2 and name HA  ) (resid   2 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid   2 and name HA  ) (resid   2 and (name HG1 or name HG2  )) 2.9  1.0  1.0
assign (resid   2 and name HA  ) (resid   2 and (name HG2 or name HG1  )) 2.9  1.0  1.0
assign (resid   2 and (name HB1 or name HB2  )) (resid   2 and (name HG1 or name HG2  )) 2.5  0.9  0.9
assign (resid   2 and (name HB1 or name HB2  )) (resid   2 and (name HG2 or name HG1  )) 2.5  0.9  0.9
assign (resid   2 and name HA  ) (resid   3 and (name HB2 or name HB1  )) 3.0  1.0  1.2
assign (resid   2 and name HA  ) (resid   3 and name HN  )  2.5  0.9  0.9
assign (resid   2 and (name HB1 or name HB2  )) (resid   3 and name HA  )  2.8  1.0  1.0
assign (resid   2 and (name HB1 or name HB2  )) (resid   3 and name HN  )  2.6  0.9  0.9
assign (resid   2 and (name HG2 or name HG1  )) (resid   3 and name HN  )  3.0  1.0  1.0
assign (resid   2 and (name HB1 or name HB2  )) (resid   4 and (name HD1# or name HD2#  )) 2.8  1.0  1.0
assign (resid   2 and (name HB1 or name HB2  )) (resid   4 and (name HD2# or name HD1#  )) 2.7  0.9  0.9
assign (resid   2 and (name HB1 or name HB2  )) (resid   4 and name HN  )  2.7  0.9  0.9
assign (resid   3 and name HA  ) (resid   3 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid   3 and name HA  ) (resid   3 and (name HB2 or name HB1  )) 2.6  0.9  0.9
assign (resid   3 and name HA  ) (resid   3 and (name HD1 or name HD2  )) 2.5  0.9  0.9
assign (resid   3 and name HA  ) (resid   3 and (name HG1 or name HG2  )) 2.6  0.9  0.9
assign (resid   3 and name HA  ) (resid   3 and (name HG2 or name HG1  )) 2.6  0.9  0.9
assign (resid   3 and name HA  ) (resid   3 and name HN  )  2.7  0.9  0.9
assign (resid   3 and (name HB1 or name HB2  )) (resid   3 and (name HD1 or name HD2  )) 2.3  0.8  0.8
assign (resid   3 and (name HB1 or name HB2  )) (resid   3 and name HN  )  2.7  0.9  0.9
assign (resid   3 and (name HB2 or name HB1  )) (resid   3 and name HN  )  2.6  0.9  0.9
assign (resid   3 and (name HD1 or name HD2  )) (resid   3 and name HE  )  2.9  1.0  1.0
assign (resid   3 and (name HD2 or name HD1  )) (resid   3 and name HE  )  3.0  1.0  1.0
assign (resid   3 and (name HD2 or name HD1  )) (resid   3 and (name HG1 or name HG2  )) 2.3  0.8  0.8
assign (resid   3 and (name HD2 or name HD1  )) (resid   3 and (name HG2 or name HG1  )) 2.6  0.9  0.9
assign (resid   3 and (name HG1 or name HG2  )) (resid   3 and name HN  )  2.8  1.0  1.0
assign (resid   3 and (name HG2 or name HG1  )) (resid   3 and name HN  )  2.9  1.0  1.0
assign (resid   3 and name HA  ) (resid   4 and (name HB2 or name HB1  )) 2.5  0.9  1.5
assign (resid   3 and name HA  ) (resid   4 and (name HD1# or name HD2#  )) 3.1  1.1  1.1
assign (resid   3 and name HA  ) (resid   4 and name HG  )  2.6  0.9  0.9
assign (resid   3 and name HA  ) (resid   4 and name HN  )  2.5  0.9  0.9
assign (resid   3 and (name HB1 or name HB2  )) (resid   4 and name HA  )  2.4  0.8  1.6
assign (resid   3 and (name HB1 or name HB2  )) (resid   4 and name HN  )  2.8  1.0  1.0
assign (resid   3 and (name HB2 or name HB1  )) (resid   4 and name HN  )  2.6  0.9  0.9
assign (resid   3 and (name HD2 or name HD1  )) (resid   4 and (name HD1# or name HD2#  )) 2.8  1.0  1.0
assign (resid   3 and (name HD2 or name HD1  )) (resid   4 and (name HD2# or name HD1#  )) 2.5  0.9  0.9
assign (resid   3 and (name HG2 or name HG1  )) (resid   4 and name HN  )  2.9  1.0  1.0
assign (resid   3 and name HN  ) (resid   4 and name HG  )  2.7  0.9  0.9
assign (resid   3 and name HA  ) (resid   5 and name HN  )  3.0  1.0  1.0
assign (resid   3 and name HA  ) (resid   6 and (name HB2 or name HB1  )) 3.8  1.3  1.3
assign (resid   3 and (name HB1 or name HB2  )) (resid   6 and name HN  )  2.6  0.9  0.9
assign (resid   3 and (name HD2 or name HD1  )) (resid   7 and name HZ  )  2.6  0.9  0.9
assign (resid   4 and name HA  ) (resid   4 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid   4 and name HA  ) (resid   4 and (name HB2 or name HB1  )) 2.6  0.9  0.9
assign (resid   4 and name HA  ) (resid   4 and (name HD1# or name HD2#  )) 2.5  0.9  0.9
assign (resid   4 and name HA  ) (resid   4 and (name HD2# or name HD1#  )) 2.5  0.9  0.9
assign (resid   4 and name HA  ) (resid   4 and name HG  )  2.5  0.9  0.9
assign (resid   4 and name HA  ) (resid   4 and name HN  )  2.6  0.9  0.9
assign (resid   4 and (name HB1 or name HB2  )) (resid   4 and (name HD1# or name HD2#  )) 2.5  0.9  0.9
assign (resid   4 and (name HB1 or name HB2  )) (resid   4 and name HN  )  2.5  0.9  0.9
assign (resid   4 and (name HB2 or name HB1  )) (resid   4 and (name HD1# or name HD2#  )) 2.4  0.8  0.8
assign (resid   4 and (name HB2 or name HB1  )) (resid   4 and name HN  )  2.7  0.9  0.9
assign (resid   4 and (name HD1# or name HD2#  )) (resid   4 and name HG  )  2.5  0.9  0.9
assign (resid   4 and (name HD1# or name HD2#  )) (resid   4 and name HN  )  2.9  1.0  1.0
assign (resid   4 and (name HD2# or name HD1#  )) (resid   4 and name HG  )  2.5  0.9  0.9
assign (resid   4 and (name HD2# or name HD1#  )) (resid   4 and name HN  )  2.9  1.0  1.0
assign (resid   4 and name HG  ) (resid   4 and name HN  )  2.6  0.9  0.9
assign (resid   4 and (name HB1 or name HB2  )) (resid   5 and name HN  )  2.8  1.0  1.0
assign (resid   4 and (name HB2 or name HB1  )) (resid   5 and name HN  )  2.9  1.0  1.0
assign (resid   4 and (name HD1# or name HD2#  )) (resid   5 and name HN  )  3.0  1.0  1.0
assign (resid   4 and (name HD2# or name HD1#  )) (resid   5 and name HN  )  3.0  1.0  1.0
assign (resid   4 and name HG  ) (resid   5 and name HN  )  2.7  0.9  0.9
assign (resid   4 and name HN  ) (resid   5 and name HN  )  2.8  1.0  1.0
assign (resid   4 and (name HD1# or name HD2#  )) (resid   6 and (name HB2 or name HB1  )) 3.0  1.0  1.0
assign (resid   4 and (name HD2# or name HD1#  )) (resid   6 and (name HB2 or name HB1  )) 2.8  1.0  1.0
assign (resid   4 and name HA  ) (resid   7 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid   4 and name HA  ) (resid   7 and (name HB2 or name HB1  )) 2.6  0.9  0.9
assign (resid   4 and name HA  ) (resid   7 and name HD#  )  2.8  1.0  1.0
assign (resid   4 and name HA  ) (resid   7 and name HN  )  2.3  0.8  0.8
assign (resid   4 and name HA  ) (resid   7 and name HZ  )  3.1  1.1  1.4
assign (resid   4 and (name HD1# or name HD2#  )) (resid   7 and (name HB1 or name HB2  )) 2.9  1.0  1.0
assign (resid   4 and (name HD1# or name HD2#  )) (resid   7 and name HD#  )  3.1  1.1  1.1
assign (resid   4 and (name HD1# or name HD2#  )) (resid   7 and name HZ  )  3.3  1.2  1.2
assign (resid   4 and (name HD2# or name HD1#  )) (resid   7 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid   4 and (name HD2# or name HD1#  )) (resid   7 and name HD#  )  3.1  1.1  1.1
assign (resid   4 and (name HD2# or name HD1#  )) (resid   7 and name HZ  )  3.1  1.1  1.1
assign (resid   4 and (name HB1 or name HB2  )) (resid   8 and name HE#  )  3.2  1.1  1.1
assign (resid   4 and (name HD1# or name HD2#  )) (resid   8 and name HE#  )  2.8  1.0  1.0
assign (resid   4 and name HG  ) (resid   8 and name HE#  )  2.9  1.0  1.0
assign (resid   5 and name HA  ) (resid   5 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid   5 and name HA  ) (resid   5 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid   5 and name HA  ) (resid   5 and name HN  )  2.5  0.9  0.9
assign (resid   5 and (name HB1 or name HB2  )) (resid   5 and name HN  )  2.7  0.9  0.9
assign (resid   5 and (name HB2 or name HB1  )) (resid   5 and name HN  )  2.6  0.9  0.9
assign (resid   5 and name HN  ) (resid   6 and (name HB2 or name HB1  )) 2.8  1.0  1.0
assign (resid   5 and name HN  ) (resid   6 and (name HG1 or name HG2  )) 3.3  1.2  1.9
assign (resid   5 and name HA  ) (resid   7 and name HN  )  2.6  0.9  0.9
assign (resid   5 and name HA  ) (resid   8 and name HN  )  2.7  0.9  0.9
assign (resid   5 and (name HB1 or name HB2  )) (resid   8 and name HN  )  2.9  1.0  1.0
assign (resid   5 and (name HB2 or name HB1  )) (resid   8 and name HE#  )  2.9  1.0  1.0
assign (resid   5 and (name HB2 or name HB1  )) (resid   8 and name HN  )  2.9  1.0  1.0
assign (resid   5 and name HN  ) (resid   8 and name HN  )  2.8  1.0  1.0
assign (resid   6 and name HA  ) (resid   6 and (name HB1 or name HB2  )) 2.6  0.9  0.9
assign (resid   6 and name HA  ) (resid   6 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid   6 and name HA  ) (resid   6 and (name HG1 or name HG2  )) 2.6  0.9  0.9
assign (resid   6 and name HA  ) (resid   6 and (name HG2 or name HG1  )) 2.6  0.9  0.9
assign (resid   6 and name HA  ) (resid   6 and name HN  )  2.5  0.9  0.9
assign (resid   6 and (name HB1 or name HB2  )) (resid   6 and (name HG1 or name HG2  )) 2.5  0.9  0.9
assign (resid   6 and (name HB1 or name HB2  )) (resid   6 and (name HG2 or name HG1  )) 2.5  0.9  0.9
assign (resid   6 and (name HB1 or name HB2  )) (resid   6 and name HN  )  2.5  0.9  0.9
assign (resid   6 and (name HB2 or name HB1  )) (resid   6 and (name HG1 or name HG2  )) 2.5  0.9  0.9
assign (resid   6 and (name HB2 or name HB1  )) (resid   6 and (name HG2 or name HG1  )) 2.5  0.9  0.9
assign (resid   6 and (name HB2 or name HB1  )) (resid   6 and name HN  )  2.5  0.9  0.9
assign (resid   6 and (name HG1 or name HG2  )) (resid   6 and name HN  )  2.5  0.9  0.9
assign (resid   6 and (name HG2 or name HG1  )) (resid   6 and name HN  )  2.5  0.9  0.9
assign (resid   6 and name HA  ) (resid   7 and (name HB1 or name HB2  )) 2.9  1.0  1.8
assign (resid   6 and name HA  ) (resid   7 and name HN  )  2.7  0.9  0.9
assign (resid   6 and (name HB1 or name HB2  )) (resid   7 and name HN  )  2.8  1.0  1.0
assign (resid   6 and (name HB2 or name HB1  )) (resid   7 and name HA  )  2.3  0.8  1.0
assign (resid   6 and (name HB2 or name HB1  )) (resid   7 and name HN  )  2.8  1.0  1.0
assign (resid   6 and (name HG2 or name HG1  )) (resid   7 and name HN  )  2.9  1.0  1.0
assign (resid   6 and name HN  ) (resid   7 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid   6 and (name HB2 or name HB1  )) (resid   8 and name HE#  )  3.1  1.1  2.0
assign (resid   6 and name HN  ) (resid   8 and name HB#  )  2.8  1.0  1.4
assign (resid   6 and name HA  ) (resid   9 and (name HB1 or name HB2  )) 2.6  0.9  0.9
assign (resid   6 and name HA  ) (resid   9 and name HN  )  3.1  1.1  1.1
assign (resid   6 and name HN  ) (resid   9 and (name HD2 or name HD1  )) 2.5  0.9  0.9
assign (resid   7 and name HA  ) (resid   7 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid   7 and name HA  ) (resid   7 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid   7 and name HA  ) (resid   7 and name HD#  )  2.6  0.9  0.9
assign (resid   7 and name HA  ) (resid   7 and name HN  )  2.6  0.9  0.9
assign (resid   7 and (name HB1 or name HB2  )) (resid   7 and name HD#  )  2.5  0.9  0.9
assign (resid   7 and (name HB1 or name HB2  )) (resid   7 and name HN  )  2.5  0.9  0.9
assign (resid   7 and (name HB2 or name HB1  )) (resid   7 and name HD#  )  2.6  0.9  0.9
assign (resid   7 and (name HB2 or name HB1  )) (resid   7 and name HN  )  2.6  0.9  0.9
assign (resid   7 and name HD#  ) (resid   7 and name HN  )  2.8  1.0  1.0
assign (resid   7 and name HD#  ) (resid   7 and name HZ  )  2.9  1.0  1.0
assign (resid   7 and (name HB1 or name HB2  )) (resid   8 and name HA  )  2.5  0.9  0.9
assign (resid   7 and (name HB1 or name HB2  )) (resid   8 and name HE#  )  2.5  0.9  0.9
assign (resid   7 and (name HB2 or name HB1  )) (resid   8 and name HA  )  2.7  0.9  0.9
assign (resid   7 and name HD#  ) (resid   8 and name HE#  )  2.8  1.0  1.0
assign (resid   7 and name HN  ) (resid   8 and name HE#  )  3.1  1.1  1.1
assign (resid   7 and name HN  ) (resid   8 and name HN  )  2.6  0.9  0.9
assign (resid   7 and (name HB1 or name HB2  )) (resid   9 and name HN  )  2.7  0.9  0.9
assign (resid   7 and name HA  ) (resid  10 and (name HB1 or name HB2  )) 3.0  1.0  1.0
assign (resid   7 and name HA  ) (resid  11 and name HD#  )  2.9  1.0  1.0
assign (resid   7 and name HN  ) (resid  11 and name HE#  )  3.1  1.1  1.1
assign (resid   7 and name HZ  ) (resid  11 and (name HB1 or name HB2  )) 2.8  1.0  1.0
assign (resid   7 and name HZ  ) (resid  12 and name HD#  )  2.9  1.0  1.7
assign (resid   8 and name HA  ) (resid   8 and name HE#  )  2.5  0.9  0.9
assign (resid   8 and name HA  ) (resid   8 and name HN  )  2.4  0.8  0.8
assign (resid   8 and name HB#  ) (resid   8 and name HE#  )  2.5  0.9  1.1
assign (resid   8 and name HB#  ) (resid   9 and name HN  )  2.9  1.0  1.0
assign (resid   8 and name HE#  ) (resid   9 and name HG#  )  3.2  1.1  2.0
assign (resid   8 and name HE#  ) (resid   9 and name HN  )  2.9  1.0  1.6
assign (resid   8 and name HE#  ) (resid  10 and name HN  )  2.9  1.0  2.0
assign (resid   8 and name HE#  ) (resid  11 and (name HB1 or name HB2  )) 2.7  0.9  0.9
assign (resid   8 and name HE#  ) (resid  11 and name HD#  )  2.5  0.9  1.9
assign (resid   8 and name HA  ) (resid  12 and name HB  )  2.5  0.9  1.1
assign (resid   8 and name HA  ) (resid  12 and name HD#  )  2.8  1.0  1.0
assign (resid   8 and name HA  ) (resid  12 and (name HG2# or name HD1#  )) 2.2  0.8  1.0
assign (resid   8 and name HE#  ) (resid  12 and name HB  )  2.8  1.0  1.0
assign (resid   8 and name HE#  ) (resid  12 and name HD#  )  2.9  1.0  1.0
assign (resid   8 and name HE#  ) (resid  12 and (name HG11 or name HG12  )) 2.9  1.0  1.0
assign (resid   8 and name HE#  ) (resid  12 and (name HG12 or name HG11  )) 3.0  1.0  1.0
assign (resid   8 and name HE#  ) (resid  12 and (name HG2# or name HD1#  )) 2.6  0.9  0.9
assign (resid   8 and name HE#  ) (resid  12 and name HN  )  2.9  1.0  1.0
assign (resid   8 and name HB#  ) (resid  13 and (name HD1# or name HD2#  )) 3.0  1.0  1.0
assign (resid   8 and name HE#  ) (resid  13 and name HB#  )  2.8  1.0  3.1
assign (resid   8 and name HE#  ) (resid  13 and (name HD1# or name HD2#  )) 2.6  0.9  0.9
assign (resid   8 and name HE#  ) (resid  13 and (name HD2# or name HD1#  )) 2.8  1.0  1.0
assign (resid   8 and name HE#  ) (resid  13 and name HG  )  2.6  0.9  1.6
assign (resid   9 and name HA  ) (resid   9 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid   9 and name HA  ) (resid   9 and (name HD1 or name HD2  )) 2.6  0.9  0.9
assign (resid   9 and name HA  ) (resid   9 and (name HD2 or name HD1  )) 2.7  0.9  0.9
assign (resid   9 and name HA  ) (resid   9 and name HG#  )  2.6  0.9  0.9
assign (resid   9 and name HA  ) (resid   9 and name HN  )  2.6  0.9  0.9
assign (resid   9 and (name HB1 or name HB2  )) (resid   9 and (name HD2 or name HD1  )) 2.5  0.9  0.9
assign (resid   9 and (name HB1 or name HB2  )) (resid   9 and name HE  )  2.8  1.0  1.0
assign (resid   9 and (name HB1 or name HB2  )) (resid   9 and name HN  )  2.5  0.9  0.9
assign (resid   9 and (name HB2 or name HB1  )) (resid   9 and name HE  )  2.6  0.9  0.9
assign (resid   9 and (name HD1 or name HD2  )) (resid   9 and name HE  )  2.7  0.9  0.9
assign (resid   9 and (name HD1 or name HD2  )) (resid   9 and name HG#  )  2.5  0.9  0.9
assign (resid   9 and (name HD2 or name HD1  )) (resid   9 and name HE  )  2.8  1.0  1.0
assign (resid   9 and (name HD2 or name HD1  )) (resid   9 and name HG#  )  2.5  0.9  0.9
assign (resid   9 and (name HD2 or name HD1  )) (resid   9 and name HN  )  2.7  0.9  0.9
assign (resid   9 and name HE  ) (resid   9 and name HG#  )  2.8  1.0  1.0
assign (resid   9 and name HG#  ) (resid   9 and name HN  )  2.9  1.0  1.0
assign (resid   9 and (name HB1 or name HB2  )) (resid  10 and name HN  )  5.0  1.8  1.8
assign (resid   9 and name HA  ) (resid  13 and name HB#  )  2.5  0.9  0.9
assign (resid   9 and name HA  ) (resid  13 and (name HD1# or name HD2#  )) 2.6  0.9  0.9
assign (resid   9 and name HA  ) (resid  13 and name HG  )  2.5  0.9  0.9
assign (resid   9 and (name HB1 or name HB2  )) (resid  13 and (name HD1# or name HD2#  )) 2.7  0.9  0.9
assign (resid  10 and name HA  ) (resid  10 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid  10 and name HA  ) (resid  10 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid  10 and name HA  ) (resid  10 and (name HG1 or name HG2  )) 2.6  0.9  0.9
assign (resid  10 and name HA  ) (resid  10 and (name HG2 or name HG1  )) 2.2  0.8  0.8
assign (resid  10 and name HA  ) (resid  10 and name HN  )  2.8  1.0  1.0
assign (resid  10 and (name HB1 or name HB2  )) (resid  10 and (name HG1 or name HG2  )) 2.6  0.9  0.9
assign (resid  10 and (name HB1 or name HB2  )) (resid  10 and name HN  )  2.8  1.0  1.0
assign (resid  10 and (name HB2 or name HB1  )) (resid  10 and name HN  )  2.7  0.9  0.9
assign (resid  10 and (name HG1 or name HG2  )) (resid  10 and name HN  )  2.6  0.9  0.9
assign (resid  10 and name HA  ) (resid  11 and name HN  )  2.8  1.0  1.0
assign (resid  10 and (name HB1 or name HB2  )) (resid  11 and name HA  )  2.6  0.9  0.9
assign (resid  10 and (name HB1 or name HB2  )) (resid  11 and name HN  )  2.6  0.9  0.9
assign (resid  10 and name HN  ) (resid  11 and name HE#  )  2.8  1.0  2.0
assign (resid  10 and (name HG2 or name HG1  )) (resid  12 and (name HG2# or name HD1#  )) 3.0  1.0  1.9
assign (resid  10 and name HA  ) (resid  13 and name HB#  )  2.9  1.0  1.0
assign (resid  10 and name HA  ) (resid  13 and (name HD1# or name HD2#  )) 3.0  1.0  1.0
assign (resid  10 and name HA  ) (resid  13 and (name HD2# or name HD1#  )) 2.9  1.0  1.0
assign (resid  10 and name HA  ) (resid  13 and name HG  )  2.8  1.0  1.0
assign (resid  11 and name HA  ) (resid  11 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid  11 and name HA  ) (resid  11 and (name HB2 or name HB1  )) 2.6  0.9  0.9
assign (resid  11 and name HA  ) (resid  11 and name HD#  )  2.7  0.9  0.9
assign (resid  11 and name HA  ) (resid  11 and name HE#  )  3.0  1.0  1.0
assign (resid  11 and name HA  ) (resid  11 and name HN  )  2.7  0.9  0.9
assign (resid  11 and (name HB1 or name HB2  )) (resid  11 and name HD#  )  2.6  0.9  0.9
assign (resid  11 and (name HB1 or name HB2  )) (resid  11 and name HE#  )  2.7  0.9  0.9
assign (resid  11 and (name HB1 or name HB2  )) (resid  11 and name HN  )  2.7  0.9  0.9
assign (resid  11 and (name HB2 or name HB1  )) (resid  11 and name HD#  )  2.8  1.0  1.0
assign (resid  11 and (name HB2 or name HB1  )) (resid  11 and name HE#  )  3.0  1.0  1.0
assign (resid  11 and (name HB2 or name HB1  )) (resid  11 and name HN  )  2.7  0.9  0.9
assign (resid  11 and name HD#  ) (resid  11 and name HN  )  2.9  1.0  1.0
assign (resid  11 and name HA  ) (resid  12 and name HN  )  2.7  0.9  0.9
assign (resid  11 and (name HB1 or name HB2  )) (resid  12 and name HN  )  2.8  1.0  1.0
assign (resid  11 and name HD#  ) (resid  12 and name HD#  )  3.0  1.1  1.1
assign (resid  11 and name HD#  ) (resid  12 and (name HG2# or name HD1#  )) 3.2  1.1  1.1
assign (resid  11 and name HD#  ) (resid  12 and name HN  )  2.9  1.0  1.0
assign (resid  11 and name HN  ) (resid  12 and name HN  )  2.8  1.0  1.0
assign (resid  12 and name HA  ) (resid  12 and name HB  )  2.5  0.9  0.9
assign (resid  12 and name HA  ) (resid  12 and name HD#  )  2.5  0.9  0.9
assign (resid  12 and name HA  ) (resid  12 and (name HG11 or name HG12  )) 2.6  0.9  0.9
assign (resid  12 and name HA  ) (resid  12 and (name HG12 or name HG11  )) 2.6  0.9  0.9
assign (resid  12 and name HA  ) (resid  12 and (name HG2# or name HD1#  )) 2.5  0.9  0.9
assign (resid  12 and name HA  ) (resid  12 and name HN  )  2.7  0.9  0.9
assign (resid  12 and name HB  ) (resid  12 and name HD#  )  2.6  0.9  0.9
assign (resid  12 and name HB  ) (resid  12 and (name HG11 or name HG12  )) 2.6  0.9  0.9
assign (resid  12 and name HB  ) (resid  12 and (name HG12 or name HG11  )) 2.6  0.9  0.9
assign (resid  12 and name HB  ) (resid  12 and (name HG2# or name HD1#  )) 2.4  0.8  0.8
assign (resid  12 and name HB  ) (resid  12 and name HN  )  2.6  0.9  0.9
assign (resid  12 and name HD#  ) (resid  12 and (name HG11 or name HG12  )) 2.5  0.9  0.9
assign (resid  12 and name HD#  ) (resid  12 and (name HG12 or name HG11  )) 2.5  0.9  0.9
assign (resid  12 and name HD#  ) (resid  12 and name HN  )  2.9  1.0  1.0
assign (resid  12 and (name HG11 or name HG12  )) (resid  12 and (name HG2# or name HD1#  )) 2.5  0.9  0.9
assign (resid  12 and (name HG11 or name HG12  )) (resid  12 and name HN  )  2.7  0.9  0.9
assign (resid  12 and (name HG12 or name HG11  )) (resid  12 and (name HG2# or name HD1#  )) 2.5  0.9  0.9
assign (resid  12 and (name HG12 or name HG11  )) (resid  12 and name HN  )  2.7  0.9  0.9
assign (resid  12 and (name HG2# or name HD1#  )) (resid  12 and name HN  )  2.7  0.9  0.9
assign (resid  12 and name HA  ) (resid  13 and name HN  )  2.6  0.9  0.9
assign (resid  12 and name HB  ) (resid  13 and name HA  )  2.6  0.9  0.9
assign (resid  12 and name HB  ) (resid  13 and (name HD1# or name HD2#  )) 2.8  1.0  1.0
assign (resid  12 and name HB  ) (resid  13 and name HN  )  2.8  1.0  1.0
assign (resid  12 and name HD#  ) (resid  13 and name HG  )  2.2  0.8  0.8
assign (resid  12 and (name HG11 or name HG12  )) (resid  13 and (name HD1# or name HD2#  )) 2.7  0.9  0.9
assign (resid  12 and (name HG2# or name HD1#  )) (resid  13 and name HA  )  3.1  1.1  1.1
assign (resid  12 and (name HG2# or name HD1#  )) (resid  13 and name HB#  )  4.1  1.4  1.4
assign (resid  12 and (name HG2# or name HD1#  )) (resid  13 and name HG  )  2.6  0.9  0.9
assign (resid  12 and (name HG2# or name HD1#  )) (resid  13 and name HN  )  2.7  0.9  0.9
assign (resid  12 and name HN  ) (resid  13 and name HG  )  2.7  0.9  0.9
assign (resid  12 and name HN  ) (resid  13 and name HN  )  2.7  0.9  0.9
assign (resid  13 and name HA  ) (resid  13 and name HB#  )  2.5  0.9  0.9
assign (resid  13 and name HA  ) (resid  13 and (name HD1# or name HD2#  )) 2.6  0.9  0.9
assign (resid  13 and name HA  ) (resid  13 and (name HD2# or name HD1#  )) 2.4  0.8  0.8
assign (resid  13 and name HA  ) (resid  13 and name HG  )  2.4  0.8  0.8
assign (resid  13 and name HA  ) (resid  13 and name HN  )  2.5  0.9  0.9
assign (resid  13 and name HB#  ) (resid  13 and (name HD1# or name HD2#  )) 2.3  0.8  0.8
assign (resid  13 and name HB#  ) (resid  13 and name HN  )  2.6  0.9  0.9
assign (resid  13 and (name HD1# or name HD2#  )) (resid  13 and name HG  )  2.3  0.8  0.8
assign (resid  13 and (name HD1# or name HD2#  )) (resid  13 and name HN  )  2.8  1.0  1.0
assign (resid  13 and (name HD2# or name HD1#  )) (resid  13 and name HG  )  2.4  0.8  0.8
assign (resid  13 and (name HD2# or name HD1#  )) (resid  13 and name HN  )  2.9  1.0  1.0
assign (resid  13 and name HG  ) (resid  13 and name HN  )  2.6  0.9  0.9
assign (resid  13 and name HG  ) (resid  14 and name HN  )  2.4  0.8  0.8
assign (resid  14 and name HA  ) (resid  14 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid  14 and name HA  ) (resid  14 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid  14 and name HA  ) (resid  14 and (name HG1 or name HG2  )) 2.8  1.0  1.0
assign (resid  14 and name HA  ) (resid  14 and (name HG2 or name HG1  )) 2.6  0.9  0.9
assign (resid  14 and name HA  ) (resid  14 and name HN  )  2.7  0.9  0.9
assign (resid  15 and name HA  ) (resid  15 and (name HB2 or name HB1  )) 2.4  0.8  0.8
assign (resid  15 and name HA  ) (resid  15 and name HG#  )  2.5  0.9  0.9
assign (resid  15 and name HA  ) (resid  15 and name HN  )  2.4  0.8  0.8
assign (resid  15 and (name HB1 or name HB2  )) (resid  15 and name HD#  )  2.5  0.9  0.9
assign (resid  15 and (name HB1 or name HB2  )) (resid  15 and name HN  )  2.6  0.9  0.9
assign (resid  15 and (name HB2 or name HB1  )) (resid  15 and name HD#  )  2.5  0.9  0.9
assign (resid  15 and (name HB2 or name HB1  )) (resid  15 and name HN  )  2.5  0.9  0.9
assign (resid  15 and name HD#  ) (resid  15 and name HE  )  2.6  0.9  0.9
assign (resid  15 and name HD#  ) (resid  15 and name HG#  )  2.4  0.8  0.8
assign (resid  15 and name HE  ) (resid  15 and name HG#  )  2.9  1.0  1.0
assign (resid  15 and name HG#  ) (resid  15 and name HN  )  2.4  0.8  0.8
assign (resid  15 and name HA  ) (resid  16 and name HD#  )  2.4  0.8  0.8
assign (resid  15 and (name HB2 or name HB1  )) (resid  16 and name HN  )  2.8  1.0  1.0
assign (resid  15 and (name HB2 or name HB1  )) (resid  17 and name HN  )  2.6  0.9  0.9
assign (resid  15 and name HD#  ) (resid  17 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid  16 and name HA  ) (resid  16 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid  16 and name HA  ) (resid  16 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid  16 and name HA  ) (resid  16 and name HG#  )  2.5  0.9  0.9
assign (resid  16 and name HA  ) (resid  16 and name HN  )  2.4  0.8  0.8
assign (resid  16 and (name HB1 or name HB2  )) (resid  16 and name HN  )  2.6  0.9  0.9
assign (resid  16 and (name HB2 or name HB1  )) (resid  16 and name HG#  )  2.5  0.9  0.9
assign (resid  16 and (name HB2 or name HB1  )) (resid  16 and name HN  )  2.5  0.9  0.9
assign (resid  16 and name HD#  ) (resid  16 and name HN  )  2.8  1.0  1.0
assign (resid  16 and name HG#  ) (resid  16 and name HN  )  2.8  1.0  1.0
assign (resid  16 and name HA  ) (resid  17 and name HN  )  2.4  0.8  0.8
assign (resid  16 and (name HB1 or name HB2  )) (resid  17 and name HN  )  2.6  0.9  0.9
assign (resid  16 and (name HB2 or name HB1  )) (resid  17 and name HN  )  3.0  1.1  1.1
assign (resid  16 and name HG#  ) (resid  17 and name HN  )  2.9  1.0  1.0
assign (resid  16 and name HN  ) (resid  17 and name HN  )  2.8  1.0  1.0
assign (resid  17 and name HA  ) (resid  17 and (name HB1 or name HB2  )) 2.6  0.9  0.9
assign (resid  17 and name HA  ) (resid  17 and (name HB2 or name HB1  )) 2.6  0.9  0.9
assign (resid  17 and name HA  ) (resid  17 and name HG#  )  2.6  0.9  0.9
assign (resid  17 and name HA  ) (resid  17 and name HN  )  2.6  0.9  0.9
assign (resid  17 and (name HB1 or name HB2  )) (resid  17 and name HN  )  2.7  0.9  0.9
assign (resid  17 and (name HB2 or name HB1  )) (resid  17 and name HN  )  2.6  0.9  0.9
assign (resid  17 and name HG#  ) (resid  17 and name HN  )  2.9  1.0  1.0
# Restraints file 2: CSP1CYCDab6E10_chi1.tbl
!I12
assign ( resid 12 and name n)  ( resid 12 and name ca)
       ( resid 12 and name cb) ( resid 12 and name cg)
 1.0 -60.0 20.0 2


# Restraints file 3: CSP1CYCDab6E10_phi_psi_dih.tbl
! Phi/Psi Angles From 'Strong' TALOS-N Predictions: 
!    error margins are set to conservative default values of double the 
!    standard deviation observed in TALOS-N capped at a minimum of +/-20 degree.
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    1.0  -65.0   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  -21.4   20.0 2
assign (resid    5 and name C    ) (resid    6 and name N    )
       (resid    6 and name CA   ) (resid    6 and name C    )    1.0  -78.7   20.0 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name C    ) (resid    7 and name N    )    1.0  -16.5   20.0 2


! Phi/Psi Angles From 'Generous' TALOS-N Predictions: 
!    error margins are set to default values of triple the standard
!    deviation observed in TALOS-N capped at a minimum of +/-20 degree.
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLU   1           HT1      GLU   1  32.087  -0.695  10.619
    2    H2   GLU   1           HT2      GLU   1  33.292   0.483  10.831
    3    H3   GLU   1           HT3      GLU   1  33.720  -1.156  10.706
    4    HA   GLU   1           HA       GLU   1  33.057   0.767   8.660
    5    HB2  GLU   1           HB2      GLU   1  34.741  -1.792   8.841
    6    HB3  GLU   1           HB1      GLU   1  34.564  -0.851   7.316
    7    HG2  GLU   1           HG2      GLU   1  35.602   1.146   8.360
    8    HG3  GLU   1           HG1      GLU   1  35.679   0.307   9.960
    9    H    MET   2           HN       MET   2  32.175  -2.589   9.598
   10    HA   MET   2           HA       MET   2  30.211  -2.485   7.438
   11    HB2  MET   2           HB2      MET   2  32.138  -4.769   8.083
   12    HB3  MET   2           HB1      MET   2  30.520  -5.110   7.374
   13    HG2  MET   2           HG2      MET   2  32.589  -3.212   6.128
   14    HG3  MET   2           HG1      MET   2  32.437  -4.947   5.709
   15    HE1  MET   2           HE1      MET   2  32.417  -2.617   3.639
   16    HE2  MET   2           HE2      MET   2  31.145  -3.219   2.520
   17    HE3  MET   2           HE3      MET   2  32.293  -4.375   3.279
   18    H    ARG   3           HN       ARG   3  28.343  -3.851   7.829
   19    HA   ARG   3           HA       ARG   3  28.111  -4.747  10.565
   20    HB2  ARG   3           HB2      ARG   3  25.763  -3.741  10.636
   21    HB3  ARG   3           HB1      ARG   3  27.124  -2.580  10.878
   22    HG2  ARG   3           HG2      ARG   3  26.325  -1.348   9.160
   23    HG3  ARG   3           HG1      ARG   3  26.749  -2.710   8.064
   24    HD2  ARG   3           HD2      ARG   3  24.548  -3.118   7.647
   25    HD3  ARG   3           HD1      ARG   3  24.244  -3.341   9.429
   26    HE   ARG   3           HE       ARG   3  24.434  -0.520   8.445
   27   HH11  ARG   3          HH11      ARG   3  22.443  -3.307   9.434
   28   HH12  ARG   3          HH12      ARG   3  21.013  -2.374   9.724
   29   HH21  ARG   3          HH21      ARG   3  22.491   0.741   8.839
   30   HH22  ARG   3          HH22      ARG   3  21.041  -0.036   9.378
   31    H    LEU   4           HN       LEU   4  28.127  -6.743   9.886
   32    HA   LEU   4           HA       LEU   4  25.821  -7.440   8.214
   33    HB2  LEU   4           HB2      LEU   4  28.372  -9.080   8.536
   34    HB3  LEU   4           HB1      LEU   4  27.105  -9.242   7.258
   35    HG   LEU   4           HG       LEU   4  29.042  -6.960   7.694
   36   HD11  LEU   4          HD11      LEU   4  28.861  -9.023   5.411
   37   HD12  LEU   4          HD12      LEU   4  30.123  -8.945   6.699
   38   HD13  LEU   4          HD13      LEU   4  30.005  -7.628   5.471
   39   HD21  LEU   4          HD21      LEU   4  27.911  -5.605   6.217
   40   HD22  LEU   4          HD22      LEU   4  26.490  -6.632   6.642
   41   HD23  LEU   4          HD23      LEU   4  27.441  -6.977   5.144
   42    H    SER   5           HN       SER   5  27.471  -7.687  11.254
   43    HA   SER   5           HA       SER   5  26.341 -10.277  11.757
   44    HB2  SER   5           HB2      SER   5  27.161 -10.054  14.075
   45    HB3  SER   5           HB1      SER   5  28.486  -9.765  12.879
   46    HG   SER   5           HG       SER   5  27.143  -7.995  14.585
   47    H    DAB   6           HN       DAB   6  25.259  -7.386  11.248
   48    HA   DAB   6           HA       DAB   6  23.234  -7.115  13.176
   49    HB2  DAB   6           HB1      DAB   6  23.640  -5.888  10.398
   50    HB3  DAB   6           HB2      DAB   6  24.377  -5.174  11.890
   51    HG2  DAB   6           HG2      DAB   6  21.925  -5.272  12.826
   52    HG3  DAB   6           HG1      DAB   6  22.407  -3.949  11.714
   53    H    PHE   7           HN       PHE   7  24.060  -8.000   9.939
   54    HA   PHE   7           HA       PHE   7  21.490  -8.486   9.025
   55    HB2  PHE   7           HB2      PHE   7  24.265  -9.365   8.212
   56    HB3  PHE   7           HB1      PHE   7  22.837 -10.069   7.420
   57    HD1  PHE   7           HD1      PHE   7  23.807  -6.616   8.446
   58    HD2  PHE   7           HD2      PHE   7  22.678  -9.244   5.320
   59    HE1  PHE   7           HE1      PHE   7  23.811  -4.765   6.867
   60    HE2  PHE   7           HE2      PHE   7  22.671  -7.389   3.756
   61    HZ   PHE   7           HZ       PHE   7  23.229  -5.180   4.561
   62    H    PHE   8           HN       PHE   8  23.800 -10.178  11.119
   63    HA   PHE   8           HA       PHE   8  22.221 -12.571  10.496
   64    HB2  PHE   8           HB2      PHE   8  24.818 -12.305  12.170
   65    HB3  PHE   8           HB1      PHE   8  24.096 -13.870  11.514
   66    HD1  PHE   8           HD1      PHE   8  26.792 -12.078  10.755
   67    HD2  PHE   8           HD2      PHE   8  22.991 -12.878   9.066
   68    HE1  PHE   8           HE1      PHE   8  27.490 -11.126   8.610
   69    HE2  PHE   8           HE2      PHE   8  23.541 -11.909   7.097
   70    HZ   PHE   8           HZ       PHE   8  25.902 -11.104   6.690
   71    H    ARG   9           HN       ARG   9  21.172 -10.381  11.387
   72    HA   ARG   9           HA       ARG   9  19.704 -11.499  13.542
   73    HB2  ARG   9           HB2      ARG   9  20.214  -8.581  13.780
   74    HB3  ARG   9           HB1      ARG   9  19.853  -9.794  15.060
   75    HG2  ARG   9           HG2      ARG   9  22.109 -10.608  15.089
   76    HG3  ARG   9           HG1      ARG   9  22.514  -9.784  13.533
   77    HD2  ARG   9           HD2      ARG   9  23.201  -8.006  14.709
   78    HD3  ARG   9           HD1      ARG   9  21.477  -7.781  15.235
   79    HE   ARG   9           HE       ARG   9  22.785  -9.795  16.877
   80   HH11  ARG   9          HH11      ARG   9  22.562  -6.295  16.256
   81   HH12  ARG   9          HH12      ARG   9  22.972  -5.825  17.871
   82   HH21  ARG   9          HH21      ARG   9  23.343  -9.157  19.075
   83   HH22  ARG   9          HH22      ARG   9  23.424  -7.482  19.502
   84    H    GLN  10           HN       GLN  10  20.213  -9.495  10.629
   85    HA   GLN  10           HA       GLN  10  17.359  -9.507  10.327
   86    HB2  GLN  10           HB2      GLN  10  17.059  -7.149   9.840
   87    HB3  GLN  10           HB1      GLN  10  17.781  -7.269  11.487
   88    HG2  GLN  10           HG2      GLN  10  19.761  -7.074   9.245
   89    HG3  GLN  10           HG1      GLN  10  18.712  -5.627   9.431
   90   HE21  GLN  10          HE21      GLN  10  21.427  -5.361   9.794
   91    H    PHE  11           HN       PHE  11  16.814  -8.396   8.069
   92    HA   PHE  11           HA       PHE  11  17.201  -8.143   5.928
   93    HB2  PHE  11           HB2      PHE  11  20.183  -8.907   6.370
   94    HB3  PHE  11           HB1      PHE  11  19.459  -8.409   4.786
   95    HD1  PHE  11           HD1      PHE  11  21.104  -7.363   7.605
   96    HD2  PHE  11           HD2      PHE  11  18.115  -6.172   4.879
   97    HE1  PHE  11           HE1      PHE  11  21.479  -5.043   8.236
   98    HE2  PHE  11           HE2      PHE  11  18.475  -3.842   5.482
   99    HZ   PHE  11           HZ       PHE  11  20.169  -3.246   7.168
  100    H    ILE  12           HN       ILE  12  19.550 -10.806   6.642
  101    HA   ILE  12           HA       ILE  12  18.239 -12.485   4.730
  102    HB   ILE  12           HB       ILE  12  20.236 -13.204   6.943
  103   HG12  ILE  12          HG12      ILE  12  21.805 -13.227   4.799
  104   HG13  ILE  12          HG11      ILE  12  20.569 -12.122   4.092
  105   HG21  ILE  12          HG21      ILE  12  19.330 -15.265   6.244
  106   HG22  ILE  12          HG22      ILE  12  20.651 -15.079   5.029
  107   HG23  ILE  12          HG23      ILE  12  18.949 -14.680   4.579
  108   HD11  ILE  12          HD11      ILE  12  21.501 -11.483   6.911
  109   HD12  ILE  12          HD12      ILE  12  21.099 -10.377   5.520
  110   HD13  ILE  12          HD13      ILE  12  22.684 -11.224   5.555
  111    H    LEU  13           HN       LEU  13  18.488 -12.123   8.254
  112    HA   LEU  13           HA       LEU  13  17.001 -14.510   8.625
  113    HB2  LEU  13           HB2      LEU  13  17.585 -12.479  10.792
  114    HB3  LEU  13           HB1      LEU  13  17.411 -14.262  10.941
  115    HG   LEU  13           HG       LEU  13  19.727 -12.620   9.821
  116   HD11  LEU  13          HD11      LEU  13  20.990 -13.994  11.546
  117   HD12  LEU  13          HD12      LEU  13  19.436 -14.763  12.036
  118   HD13  LEU  13          HD13      LEU  13  19.667 -12.990  12.254
  119   HD21  LEU  13          HD21      LEU  13  18.943 -15.062   8.598
  120   HD22  LEU  13          HD22      LEU  13  20.186 -15.576   9.794
  121   HD23  LEU  13          HD23      LEU  13  20.590 -14.322   8.560
  122    H    GLN  14           HN       GLN  14  16.540 -10.976   9.338
  123    HA   GLN  14           HA       GLN  14  13.661 -11.617   9.463
  124    HB2  GLN  14           HB2      GLN  14  15.124  -9.213  10.697
  125    HB3  GLN  14           HB1      GLN  14  13.354  -9.523  10.786
  126    HG2  GLN  14           HG2      GLN  14  13.845 -11.692  12.038
  127    HG3  GLN  14           HG1      GLN  14  15.594 -11.224  12.064
  128   HE21  GLN  14          HE21      GLN  14  16.291  -9.908  13.704
  129   HE22  GLN  14          HE22      GLN  14  15.263  -8.991  14.757
  130    H    ARG  15           HN       ARG  15  12.291 -10.640   8.005
  131    HA   ARG  15           HA       ARG  15  13.186  -8.230   6.726
  132    HB2  ARG  15           HB2      ARG  15  12.946  -9.047   4.413
  133    HB3  ARG  15           HB1      ARG  15  14.209 -10.014   5.244
  134    HG2  ARG  15           HG2      ARG  15  12.479 -11.804   5.712
  135    HG3  ARG  15           HG1      ARG  15  11.286 -10.856   4.758
  136    HD2  ARG  15           HD2      ARG  15  12.789 -11.033   2.726
  137    HD3  ARG  15           HD1      ARG  15  13.944 -12.045   3.700
  138    HE   ARG  15           HE       ARG  15  11.305 -13.182   3.910
  139   HH11  ARG  15          HH11      ARG  15  13.941 -12.603   1.587
  140   HH12  ARG  15          HH12      ARG  15  13.597 -13.993   0.612
  141   HH21  ARG  15          HH21      ARG  15  10.835 -15.075   2.587
  142   HH22  ARG  15          HH22      ARG  15  11.799 -15.422   1.191
  143    H    LYS  16           HN       LYS  16  11.354  -7.369   5.277
  144    HA   LYS  16           HA       LYS  16   8.907  -8.038   6.712
  145    HB2  LYS  16           HB2      LYS  16   9.280  -5.767   4.699
  146    HB3  LYS  16           HB1      LYS  16   8.034  -5.908   5.990
  147    HG2  LYS  16           HG2      LYS  16  11.043  -5.399   6.348
  148    HG3  LYS  16           HG1      LYS  16   9.700  -4.246   6.657
  149    HD2  LYS  16           HD2      LYS  16   8.846  -5.855   8.458
  150    HD3  LYS  16           HD1      LYS  16  10.334  -6.838   8.198
  151    HE2  LYS  16           HE2      LYS  16  11.752  -4.852   8.822
  152    HE3  LYS  16           HE1      LYS  16  10.248  -3.883   9.119
  153    HZ1  LYS  16           HZ1      LYS  16  10.129  -6.369  10.470
  154    HZ2  LYS  16           HZ2      LYS  16  10.074  -4.788  11.088
  155    HZ3  LYS  16           HZ3      LYS  16  11.569  -5.561  10.864
  156    H    LYS  17           HN       LYS  17  10.561  -8.842   3.891
  157    HA   LYS  17           HA       LYS  17   8.336  -8.812   2.115
  158    HB2  LYS  17           HB2      LYS  17  10.959 -10.413   2.019
  159    HB3  LYS  17           HB1      LYS  17   9.746 -10.377   0.693
  160    HG2  LYS  17           HG2      LYS  17  10.058  -7.906   0.466
  161    HG3  LYS  17           HG1      LYS  17  11.273  -7.936   1.790
  162    HD2  LYS  17           HD2      LYS  17  12.712  -9.473   0.432
  163    HD3  LYS  17           HD1      LYS  17  11.495  -9.441  -0.891
  164    HE2  LYS  17           HE2      LYS  17  11.839  -6.968  -1.160
  165    HE3  LYS  17           HE1      LYS  17  13.056  -6.993   0.184
  166    HZ1  LYS  17           HZ1      LYS  17  13.395  -7.594  -2.536
  167    HZ2  LYS  17           HZ2      LYS  17  13.739  -8.990  -1.633
  168    HZ3  LYS  17           HZ3      LYS  17  14.550  -7.537  -1.293
  Start of MODEL    2
    1    H1   GLU   1           HT1      GLU   1  32.498  -1.093  11.273
    2    H2   GLU   1           HT2      GLU   1  33.729   0.072  11.378
    3    H3   GLU   1           HT3      GLU   1  33.839  -1.362  12.281
    4    HA   GLU   1           HA       GLU   1  34.544  -0.827   9.567
    5    HB2  GLU   1           HB2      GLU   1  35.158  -3.018  11.624
    6    HB3  GLU   1           HB1      GLU   1  35.861  -3.028   9.967
    7    HG2  GLU   1           HG2      GLU   1  37.026  -0.886  10.374
    8    HG3  GLU   1           HG1      GLU   1  36.213  -0.701  11.977
    9    H    MET   2           HN       MET   2  32.514  -3.276  11.296
   10    HA   MET   2           HA       MET   2  31.582  -4.080   8.642
   11    HB2  MET   2           HB2      MET   2  32.226  -5.939  11.002
   12    HB3  MET   2           HB1      MET   2  31.257  -6.436   9.571
   13    HG2  MET   2           HG2      MET   2  33.200  -5.963   8.079
   14    HG3  MET   2           HG1      MET   2  34.170  -5.445   9.495
   15    HE1  MET   2           HE1      MET   2  35.938  -6.975   8.473
   16    HE2  MET   2           HE2      MET   2  34.854  -7.666   7.216
   17    HE3  MET   2           HE3      MET   2  35.817  -8.759   8.269
   18    H    ARG   3           HN       ARG   3  29.401  -4.797   8.570
   19    HA   ARG   3           HA       ARG   3  27.923  -4.394  11.026
   20    HB2  ARG   3           HB2      ARG   3  26.086  -3.314   9.605
   21    HB3  ARG   3           HB1      ARG   3  27.495  -2.260  10.011
   22    HG2  ARG   3           HG2      ARG   3  27.784  -1.876   7.801
   23    HG3  ARG   3           HG1      ARG   3  28.249  -3.604   7.628
   24    HD2  ARG   3           HD2      ARG   3  26.403  -3.980   6.348
   25    HD3  ARG   3           HD1      ARG   3  25.358  -3.501   7.763
   26    HE   ARG   3           HE       ARG   3  26.468  -1.172   6.339
   27   HH11  ARG   3          HH11      ARG   3  23.912  -3.652   6.399
   28   HH12  ARG   3          HH12      ARG   3  22.756  -2.702   5.528
   29   HH21  ARG   3          HH21      ARG   3  24.897   0.118   5.151
   30   HH22  ARG   3          HH22      ARG   3  23.328  -0.525   4.805
   31    H    LEU   4           HN       LEU   4  27.709  -6.501  11.207
   32    HA   LEU   4           HA       LEU   4  26.198  -7.723   9.018
   33    HB2  LEU   4           HB2      LEU   4  27.858  -9.189  11.108
   34    HB3  LEU   4           HB1      LEU   4  27.258  -9.823   9.526
   35    HG   LEU   4           HG       LEU   4  29.337  -7.680  10.018
   36   HD11  LEU   4          HD11      LEU   4  30.087 -10.054  10.438
   37   HD12  LEU   4          HD12      LEU   4  30.987  -9.254   9.094
   38   HD13  LEU   4          HD13      LEU   4  29.692 -10.455   8.725
   39   HD21  LEU   4          HD21      LEU   4  29.368  -7.074   7.787
   40   HD22  LEU   4          HD22      LEU   4  27.663  -7.657   7.821
   41   HD23  LEU   4          HD23      LEU   4  28.976  -8.736   7.208
   42    H    SER   5           HN       SER   5  26.170  -6.616  12.261
   43    HA   SER   5           HA       SER   5  24.440  -8.722  13.128
   44    HB2  SER   5           HB2      SER   5  24.026  -7.412  15.165
   45    HB3  SER   5           HB1      SER   5  25.800  -7.571  14.850
   46    HG   SER   5           HG       SER   5  24.118  -5.354  14.738
   47    H    DAB   6           HN       DAB   6  24.339  -6.280  11.051
   48    HA   DAB   6           HA       DAB   6  21.710  -5.351  11.288
   49    HB2  DAB   6           HB1      DAB   6  23.534  -5.496   8.844
   50    HB3  DAB   6           HB2      DAB   6  23.843  -4.278  10.130
   51    HG2  DAB   6           HG2      DAB   6  21.994  -3.025   9.608
   52    HG3  DAB   6           HG1      DAB   6  22.403  -3.682   7.990
   53    H    PHE   7           HN       PHE   7  23.794  -7.559   9.646
   54    HA   PHE   7           HA       PHE   7  21.937  -8.498   7.811
   55    HB2  PHE   7           HB2      PHE   7  24.536  -9.494   8.966
   56    HB3  PHE   7           HB1      PHE   7  23.587 -10.522   7.878
   57    HD1  PHE   7           HD1      PHE   7  24.547  -6.921   7.895
   58    HD2  PHE   7           HD2      PHE   7  24.629 -10.628   5.842
   59    HE1  PHE   7           HE1      PHE   7  25.654  -5.865   6.007
   60    HE2  PHE   7           HE2      PHE   7  25.730  -9.562   3.960
   61    HZ   PHE   7           HZ       PHE   7  26.216  -7.194   4.071
   62    H    PHE   8           HN       PHE   8  22.515  -8.995  11.266
   63    HA   PHE   8           HA       PHE   8  21.020 -11.489  10.867
   64    HB2  PHE   8           HB2      PHE   8  22.473 -10.418  13.386
   65    HB3  PHE   8           HB1      PHE   8  21.839 -12.137  13.147
   66    HD1  PHE   8           HD1      PHE   8  24.830 -10.793  13.276
   67    HD2  PHE   8           HD2      PHE   8  22.283 -12.368  10.283
   68    HE1  PHE   8           HE1      PHE   8  26.685 -10.899  11.685
   69    HE2  PHE   8           HE2      PHE   8  23.905 -12.323   8.718
   70    HZ   PHE   8           HZ       PHE   8  26.288 -11.745   9.373
   71    H    ARG   9           HN       ARG   9  20.129  -9.179  10.143
   72    HA   ARG   9           HA       ARG   9  17.582  -9.344  11.371
   73    HB2  ARG   9           HB2      ARG   9  18.406  -6.556  10.820
   74    HB3  ARG   9           HB1      ARG   9  17.285  -7.197  12.072
   75    HG2  ARG   9           HG2      ARG   9  19.033  -7.697  13.582
   76    HG3  ARG   9           HG1      ARG   9  20.288  -7.738  12.283
   77    HD2  ARG   9           HD2      ARG   9  20.755  -5.602  12.775
   78    HD3  ARG   9           HD1      ARG   9  19.125  -5.194  12.084
   79    HE   ARG   9           HE       ARG   9  18.775  -6.040  14.814
   80   HH11  ARG   9          HH11      ARG   9  20.157  -3.403  12.862
   81   HH12  ARG   9          HH12      ARG   9  19.921  -2.180  14.066
   82   HH21  ARG   9          HH21      ARG   9  18.449  -4.379  16.450
   83   HH22  ARG   9          HH22      ARG   9  18.934  -2.746  16.142
   84    H    GLN  10           HN       GLN  10  19.892  -8.768   8.741
   85    HA   GLN  10           HA       GLN  10  17.628  -8.734   6.942
   86    HB2  GLN  10           HB2      GLN  10  19.746  -6.832   6.024
   87    HB3  GLN  10           HB1      GLN  10  17.964  -6.654   5.950
   88    HG2  GLN  10           HG2      GLN  10  17.986  -5.181   7.696
   89    HG3  GLN  10           HG1      GLN  10  18.830  -6.368   8.748
   90   HE21  GLN  10          HE21      GLN  10  20.236  -4.902   9.746
   91    H    PHE  11           HN       PHE  11  18.663  -8.631   4.523
   92    HA   PHE  11           HA       PHE  11  20.016  -9.479   3.021
   93    HB2  PHE  11           HB2      PHE  11  22.103  -9.916   5.271
   94    HB3  PHE  11           HB1      PHE  11  22.415 -10.119   3.493
   95    HD1  PHE  11           HD1      PHE  11  22.407  -7.940   6.191
   96    HD2  PHE  11           HD2      PHE  11  21.825  -8.107   2.019
   97    HE1  PHE  11           HE1      PHE  11  22.823  -5.546   6.058
   98    HE2  PHE  11           HE2      PHE  11  22.243  -5.716   1.853
   99    HZ   PHE  11           HZ       PHE  11  22.753  -4.406   3.874
  100    H    ILE  12           HN       ILE  12  20.992 -11.528   5.837
  101    HA   ILE  12           HA       ILE  12  20.541 -13.895   4.285
  102    HB   ILE  12           HB       ILE  12  20.907 -13.563   7.312
  103   HG12  ILE  12          HG12      ILE  12  23.318 -14.381   6.633
  104   HG13  ILE  12          HG11      ILE  12  22.899 -13.787   4.984
  105   HG21  ILE  12          HG21      ILE  12  20.113 -15.758   7.043
  106   HG22  ILE  12          HG22      ILE  12  21.871 -16.046   6.756
  107   HG23  ILE  12          HG23      ILE  12  20.739 -15.916   5.357
  108   HD11  ILE  12          HD11      ILE  12  22.303 -11.910   7.307
  109   HD12  ILE  12          HD12      ILE  12  22.907 -11.555   5.627
  110   HD13  ILE  12          HD13      ILE  12  24.043 -12.190   6.863
  111    H    LEU  13           HN       LEU  13  19.043 -12.101   6.955
  112    HA   LEU  13           HA       LEU  13  17.095 -14.140   7.257
  113    HB2  LEU  13           HB2      LEU  13  16.904 -11.393   8.510
  114    HB3  LEU  13           HB1      LEU  13  16.339 -12.970   9.158
  115    HG   LEU  13           HG       LEU  13  19.180 -11.862   8.967
  116   HD11  LEU  13          HD11      LEU  13  17.814 -11.167  10.893
  117   HD12  LEU  13          HD12      LEU  13  19.091 -12.313  11.455
  118   HD13  LEU  13          HD13      LEU  13  17.389 -12.873  11.278
  119   HD21  LEU  13          HD21      LEU  13  20.181 -13.914   9.135
  120   HD22  LEU  13          HD22      LEU  13  18.632 -14.610   8.524
  121   HD23  LEU  13          HD23      LEU  13  18.948 -14.536  10.295
  122    H    GLN  14           HN       GLN  14  16.907 -10.566   6.646
  123    HA   GLN  14           HA       GLN  14  15.419  -9.364   5.502
  124    HB2  GLN  14           HB2      GLN  14  15.205 -11.923   3.816
  125    HB3  GLN  14           HB1      GLN  14  14.317 -10.415   3.410
  126    HG2  GLN  14           HG2      GLN  14  17.388 -10.616   3.668
  127    HG3  GLN  14           HG1      GLN  14  16.474 -10.672   2.110
  128   HE21  GLN  14          HE21      GLN  14  14.782  -8.786   1.878
  129   HE22  GLN  14          HE22      GLN  14  15.342  -7.211   2.327
  130    H    ARG  15           HN       ARG  15  14.456 -10.405   7.904
  131    HA   ARG  15           HA       ARG  15  12.005 -11.773   7.430
  132    HB2  ARG  15           HB2      ARG  15  13.006 -10.209   9.883
  133    HB3  ARG  15           HB1      ARG  15  11.473 -11.145   9.844
  134    HG2  ARG  15           HG2      ARG  15  14.239 -12.380   9.308
  135    HG3  ARG  15           HG1      ARG  15  13.463 -12.328  10.928
  136    HD2  ARG  15           HD2      ARG  15  11.493 -13.641  10.008
  137    HD3  ARG  15           HD1      ARG  15  12.345 -13.740   8.405
  138    HE   ARG  15           HE       ARG  15  13.886 -15.286   9.347
  139   HH11  ARG  15          HH11      ARG  15  11.803 -13.824  11.847
  140   HH12  ARG  15          HH12      ARG  15  12.260 -14.939  13.092
  141   HH21  ARG  15          HH21      ARG  15  14.501 -16.795  11.041
  142   HH22  ARG  15          HH22      ARG  15  13.818 -16.653  12.626
  143    H    LYS  16           HN       LYS  16   9.954 -10.940   7.115
  144    HA   LYS  16           HA       LYS  16   9.878  -8.063   6.711
  145    HB2  LYS  16           HB2      LYS  16   7.598 -10.055   6.243
  146    HB3  LYS  16           HB1      LYS  16   7.799  -8.418   5.520
  147    HG2  LYS  16           HG2      LYS  16   8.670  -9.475   3.714
  148    HG3  LYS  16           HG1      LYS  16  10.139  -9.712   4.723
  149    HD2  LYS  16           HD2      LYS  16   9.439 -11.940   5.389
  150    HD3  LYS  16           HD1      LYS  16   7.800 -11.708   4.686
  151    HE2  LYS  16           HE2      LYS  16   8.775 -11.621   2.384
  152    HE3  LYS  16           HE1      LYS  16  10.443 -11.794   3.076
  153    HZ1  LYS  16           HZ1      LYS  16   8.373 -13.772   3.755
  154    HZ2  LYS  16           HZ2      LYS  16  10.059 -13.940   3.645
  155    HZ3  LYS  16           HZ3      LYS  16   9.122 -13.832   2.232
  156    H    LYS  17           HN       LYS  17   9.330 -10.432   9.030
  157    HA   LYS  17           HA       LYS  17   7.077  -9.118  10.260
  158    HB2  LYS  17           HB2      LYS  17   8.904 -11.414  11.189
  159    HB3  LYS  17           HB1      LYS  17   7.551 -10.760  12.182
  160    HG2  LYS  17           HG2      LYS  17   5.927 -11.368  10.376
  161    HG3  LYS  17           HG1      LYS  17   7.277 -12.028   9.387
  162    HD2  LYS  17           HD2      LYS  17   7.778 -13.698  11.179
  163    HD3  LYS  17           HD1      LYS  17   6.440 -13.034  12.180
  164    HE2  LYS  17           HE2      LYS  17   4.782 -13.687  10.408
  165    HE3  LYS  17           HE1      LYS  17   6.132 -14.351   9.395
  166    HZ1  LYS  17           HZ1      LYS  17   4.720 -15.579  11.463
  167    HZ2  LYS  17           HZ2      LYS  17   6.325 -15.402  11.989
  168    HZ3  LYS  17           HZ3      LYS  17   5.992 -16.200  10.527
  Start of MODEL    3
    1    H1   GLU   1           HT1      GLU   1  32.694   0.907  10.416
    2    H2   GLU   1           HT2      GLU   1  33.306  -0.675  10.490
    3    H3   GLU   1           HT3      GLU   1  31.637  -0.417  10.303
    4    HA   GLU   1           HA       GLU   1  32.583   0.940   8.229
    5    HB2  GLU   1           HB2      GLU   1  34.390  -1.487   8.737
    6    HB3  GLU   1           HB1      GLU   1  34.212  -0.735   7.110
    7    HG2  GLU   1           HG2      GLU   1  35.117   1.418   7.937
    8    HG3  GLU   1           HG1      GLU   1  35.171   0.784   9.630
    9    H    MET   2           HN       MET   2  31.931  -2.402   9.428
   10    HA   MET   2           HA       MET   2  29.995  -2.602   7.242
   11    HB2  MET   2           HB2      MET   2  31.831  -4.847   8.264
   12    HB3  MET   2           HB1      MET   2  30.429  -5.098   7.168
   13    HG2  MET   2           HG2      MET   2  31.501  -3.645   5.447
   14    HG3  MET   2           HG1      MET   2  32.895  -3.368   6.538
   15    HE1  MET   2           HE1      MET   2  33.034  -4.319   3.540
   16    HE2  MET   2           HE2      MET   2  34.397  -5.484   3.669
   17    HE3  MET   2           HE3      MET   2  34.426  -3.960   4.622
   18    H    ARG   3           HN       ARG   3  28.116  -3.866   7.760
   19    HA   ARG   3           HA       ARG   3  27.938  -4.616  10.545
   20    HB2  ARG   3           HB2      ARG   3  25.561  -3.648  10.542
   21    HB3  ARG   3           HB1      ARG   3  26.910  -2.466  10.741
   22    HG2  ARG   3           HG2      ARG   3  26.112  -1.327   8.958
   23    HG3  ARG   3           HG1      ARG   3  26.576  -2.731   7.934
   24    HD2  ARG   3           HD2      ARG   3  24.391  -3.212   7.507
   25    HD3  ARG   3           HD1      ARG   3  24.052  -3.323   9.293
   26    HE   ARG   3           HE       ARG   3  24.252  -0.551   8.239
   27   HH11  ARG   3          HH11      ARG   3  22.199  -3.372   8.966
   28   HH12  ARG   3          HH12      ARG   3  20.727  -2.465   9.075
   29   HH21  ARG   3          HH21      ARG   3  22.252   0.678   8.386
   30   HH22  ARG   3          HH22      ARG   3  20.759  -0.124   8.737
   31    H    LEU   4           HN       LEU   4  28.072  -6.644   9.865
   32    HA   LEU   4           HA       LEU   4  25.760  -7.489   8.274
   33    HB2  LEU   4           HB2      LEU   4  28.360  -9.021   8.740
   34    HB3  LEU   4           HB1      LEU   4  27.104  -9.340   7.478
   35    HG   LEU   4           HG       LEU   4  28.917  -6.931   7.731
   36   HD11  LEU   4          HD11      LEU   4  28.881  -9.136   5.574
   37   HD12  LEU   4          HD12      LEU   4  30.073  -9.001   6.921
   38   HD13  LEU   4          HD13      LEU   4  30.006  -7.727   5.645
   39   HD21  LEU   4          HD21      LEU   4  26.538  -6.455   6.803
   40   HD22  LEU   4          HD22      LEU   4  26.992  -7.483   5.390
   41   HD23  LEU   4          HD23      LEU   4  27.919  -5.977   5.741
   42    H    SER   5           HN       SER   5  27.332  -7.501  11.354
   43    HA   SER   5           HA       SER   5  26.313 -10.096  12.003
   44    HB2  SER   5           HB2      SER   5  26.982  -9.648  14.336
   45    HB3  SER   5           HB1      SER   5  28.349  -9.353  13.190
   46    HG   SER   5           HG       SER   5  26.779  -7.553  14.665
   47    H    DAB   6           HN       DAB   6  25.119  -7.227  11.324
   48    HA   DAB   6           HA       DAB   6  22.975  -6.984  13.113
   49    HB2  DAB   6           HB1      DAB   6  23.303  -5.938  10.262
   50    HB3  DAB   6           HB2      DAB   6  24.198  -5.166  11.619
   51    HG2  DAB   6           HG2      DAB   6  22.314  -4.237  12.543
   52    HG3  DAB   6           HG1      DAB   6  21.857  -4.231  10.808
   53    H    PHE   7           HN       PHE   7  23.965  -8.033   9.972
   54    HA   PHE   7           HA       PHE   7  21.456  -8.726   9.020
   55    HB2  PHE   7           HB2      PHE   7  24.301  -9.456   8.344
   56    HB3  PHE   7           HB1      PHE   7  22.952 -10.279   7.538
   57    HD1  PHE   7           HD1      PHE   7  23.682  -6.743   8.454
   58    HD2  PHE   7           HD2      PHE   7  22.807  -9.527   5.382
   59    HE1  PHE   7           HE1      PHE   7  23.649  -4.946   6.819
   60    HE2  PHE   7           HE2      PHE   7  22.760  -7.723   3.759
   61    HZ   PHE   7           HZ       PHE   7  23.176  -5.460   4.508
   62    H    PHE   8           HN       PHE   8  23.742 -10.156  11.312
   63    HA   PHE   8           HA       PHE   8  22.298 -12.648  10.756
   64    HB2  PHE   8           HB2      PHE   8  24.818 -12.173  12.498
   65    HB3  PHE   8           HB1      PHE   8  24.181 -13.810  11.925
   66    HD1  PHE   8           HD1      PHE   8  26.816 -11.938  11.129
   67    HD2  PHE   8           HD2      PHE   8  23.118 -13.039   9.384
   68    HE1  PHE   8           HE1      PHE   8  27.533 -11.082   8.952
   69    HE2  PHE   8           HE2      PHE   8  23.677 -12.160   7.375
   70    HZ   PHE   8           HZ       PHE   8  26.008 -11.259   6.987
   71    H    ARG   9           HN       ARG   9  21.109 -10.484  11.466
   72    HA   ARG   9           HA       ARG   9  19.563 -11.557  13.574
   73    HB2  ARG   9           HB2      ARG   9  19.905  -8.635  13.833
   74    HB3  ARG   9           HB1      ARG   9  19.612  -9.873  15.101
   75    HG2  ARG   9           HG2      ARG   9  21.890 -10.366  15.356
   76    HG3  ARG   9           HG1      ARG   9  22.313  -9.809  13.689
   77    HD2  ARG   9           HD2      ARG   9  22.969  -7.883  14.679
   78    HD3  ARG   9           HD1      ARG   9  21.193  -7.552  14.802
   79    HE   ARG   9           HE       ARG   9  21.302  -7.951  17.134
   80   HH11  ARG   9          HH11      ARG   9  24.245  -9.127  15.496
   81   HH12  ARG   9          HH12      ARG   9  25.114  -9.445  16.964
   82   HH21  ARG   9          HH21      ARG   9  22.486  -8.385  19.120
   83   HH22  ARG   9          HH22      ARG   9  24.096  -9.016  19.055
   84    H    GLN  10           HN       GLN  10  20.188  -9.717  10.612
   85    HA   GLN  10           HA       GLN  10  17.325  -9.582  10.256
   86    HB2  GLN  10           HB2      GLN  10  18.641  -7.090   9.251
   87    HB3  GLN  10           HB1      GLN  10  17.065  -7.273  10.084
   88    HG2  GLN  10           HG2      GLN  10  17.940  -6.449  12.027
   89    HG3  GLN  10           HG1      GLN  10  19.216  -7.714  12.040
   90   HE21  GLN  10          HE21      GLN  10  20.898  -6.361  12.758
   91    H    PHE  11           HN       PHE  11  16.957  -8.535   7.881
   92    HA   PHE  11           HA       PHE  11  17.360  -8.546   5.728
   93    HB2  PHE  11           HB2      PHE  11  20.314  -9.225   6.373
   94    HB3  PHE  11           HB1      PHE  11  19.671  -8.812   4.726
   95    HD1  PHE  11           HD1      PHE  11  20.995  -7.612   7.705
   96    HD2  PHE  11           HD2      PHE  11  18.399  -6.607   4.540
   97    HE1  PHE  11           HE1      PHE  11  21.240  -5.261   8.280
   98    HE2  PHE  11           HE2      PHE  11  18.642  -4.245   5.075
   99    HZ   PHE  11           HZ       PHE  11  20.070  -3.543   6.952
  100    H    ILE  12           HN       ILE  12  19.681 -11.123   6.734
  101    HA   ILE  12           HA       ILE  12  18.535 -12.925   4.830
  102    HB   ILE  12           HB       ILE  12  20.406 -13.476   7.195
  103   HG12  ILE  12          HG12      ILE  12  22.130 -13.507   5.191
  104   HG13  ILE  12          HG11      ILE  12  20.902 -12.518   4.320
  105   HG21  ILE  12          HG21      ILE  12  19.624 -15.593   6.523
  106   HG22  ILE  12          HG22      ILE  12  21.013 -15.402   5.387
  107   HG23  ILE  12          HG23      ILE  12  19.330 -15.086   4.816
  108   HD11  ILE  12          HD11      ILE  12  21.226 -10.664   5.676
  109   HD12  ILE  12          HD12      ILE  12  22.840 -11.416   5.885
  110   HD13  ILE  12          HD13      ILE  12  21.562 -11.655   7.161
  111    H    LEU  13           HN       LEU  13  18.570 -12.389   8.339
  112    HA   LEU  13           HA       LEU  13  17.104 -14.790   8.732
  113    HB2  LEU  13           HB2      LEU  13  17.549 -12.677  10.848
  114    HB3  LEU  13           HB1      LEU  13  17.421 -14.458  11.048
  115    HG   LEU  13           HG       LEU  13  19.735 -12.792   9.953
  116   HD11  LEU  13          HD11      LEU  13  19.438 -14.836  12.257
  117   HD12  LEU  13          HD12      LEU  13  19.558 -13.046  12.401
  118   HD13  LEU  13          HD13      LEU  13  20.967 -14.001  11.797
  119   HD21  LEU  13          HD21      LEU  13  20.723 -14.544   8.853
  120   HD22  LEU  13          HD22      LEU  13  19.079 -15.290   8.807
  121   HD23  LEU  13          HD23      LEU  13  20.237 -15.748  10.107
  122    H    GLN  14           HN       GLN  14  16.587 -11.243   9.295
  123    HA   GLN  14           HA       GLN  14  13.715 -11.884   9.397
  124    HB2  GLN  14           HB2      GLN  14  15.171  -9.355  10.363
  125    HB3  GLN  14           HB1      GLN  14  13.399  -9.642  10.467
  126    HG2  GLN  14           HG2      GLN  14  15.571 -11.312  11.904
  127    HG3  GLN  14           HG1      GLN  14  14.510 -10.061  12.667
  128   HE21  GLN  14          HE21      GLN  14  14.836 -13.348  12.337
  129   HE22  GLN  14          HE22      GLN  14  13.178 -13.839  12.415
  130    H    ARG  15           HN       ARG  15  12.311 -10.998   7.891
  131    HA   ARG  15           HA       ARG  15  13.553  -9.100   6.027
  132    HB2  ARG  15           HB2      ARG  15  11.648 -11.427   5.365
  133    HB3  ARG  15           HB1      ARG  15  12.107 -10.129   4.207
  134    HG2  ARG  15           HG2      ARG  15  14.501 -10.822   4.364
  135    HG3  ARG  15           HG1      ARG  15  14.054 -12.116   5.531
  136    HD2  ARG  15           HD2      ARG  15  12.614 -13.208   3.771
  137    HD3  ARG  15           HD1      ARG  15  13.095 -11.910   2.590
  138    HE   ARG  15           HE       ARG  15  15.486 -13.045   3.705
  139   HH11  ARG  15          HH11      ARG  15  12.697 -13.896   1.659
  140   HH12  ARG  15          HH12      ARG  15  13.551 -15.067   0.712
  141   HH21  ARG  15          HH21      ARG  15  16.649 -14.638   2.418
  142   HH22  ARG  15          HH22      ARG  15  15.838 -15.495   1.152
  143    H    LYS  16           HN       LYS  16  12.107  -7.470   5.227
  144    HA   LYS  16           HA       LYS  16   9.774  -7.195   6.947
  145    HB2  LYS  16           HB2      LYS  16  10.720  -5.157   4.875
  146    HB3  LYS  16           HB1      LYS  16   9.746  -4.866   6.362
  147    HG2  LYS  16           HG2      LYS  16  11.690  -4.225   7.336
  148    HG3  LYS  16           HG1      LYS  16  12.086  -5.977   7.397
  149    HD2  LYS  16           HD2      LYS  16  13.400  -5.867   5.382
  150    HD3  LYS  16           HD1      LYS  16  12.763  -4.239   4.959
  151    HE2  LYS  16           HE2      LYS  16  13.943  -3.261   6.959
  152    HE3  LYS  16           HE1      LYS  16  14.593  -4.904   7.366
  153    HZ1  LYS  16           HZ1      LYS  16  15.563  -3.006   5.539
  154    HZ2  LYS  16           HZ2      LYS  16  15.134  -4.407   4.679
  155    HZ3  LYS  16           HZ3      LYS  16  16.218  -4.508   5.982
  156    H    LYS  17           HN       LYS  17  10.719  -8.396   3.959
  157    HA   LYS  17           HA       LYS  17   8.392  -7.570   2.506
  158    HB2  LYS  17           HB2      LYS  17  10.763  -8.329   1.549
  159    HB3  LYS  17           HB1      LYS  17  10.105  -9.988   1.771
  160    HG2  LYS  17           HG2      LYS  17   8.117  -9.355   0.345
  161    HG3  LYS  17           HG1      LYS  17   8.861  -7.742   0.072
  162    HD2  LYS  17           HD2      LYS  17  10.235 -10.404  -0.642
  163    HD3  LYS  17           HD1      LYS  17   9.225  -9.461  -1.791
  164    HE2  LYS  17           HE2      LYS  17  10.786  -7.483  -1.502
  165    HE3  LYS  17           HE1      LYS  17  11.826  -8.499  -0.418
  166    HZ1  LYS  17           HZ1      LYS  17  11.743  -8.390  -3.226
  167    HZ2  LYS  17           HZ2      LYS  17  11.333  -9.962  -2.730
  168    HZ3  LYS  17           HZ3      LYS  17  12.788  -9.259  -2.208
  Start of MODEL    4
    1    H1   GLU   1           HT1      GLU   1  32.189   1.767   9.408
    2    H2   GLU   1           HT2      GLU   1  32.972   0.292   9.719
    3    H3   GLU   1           HT3      GLU   1  31.288   0.329   9.491
    4    HA   GLU   1           HA       GLU   1  32.072   1.444   7.236
    5    HB2  GLU   1           HB2      GLU   1  34.161  -0.705   7.929
    6    HB3  GLU   1           HB1      GLU   1  33.997   0.108   6.334
    7    HG2  GLU   1           HG2      GLU   1  34.663   1.569   8.982
    8    HG3  GLU   1           HG1      GLU   1  35.876   1.062   7.743
    9    H    MET   2           HN       MET   2  31.902  -1.717   8.958
   10    HA   MET   2           HA       MET   2  30.081  -2.565   6.829
   11    HB2  MET   2           HB2      MET   2  32.214  -4.279   8.228
   12    HB3  MET   2           HB1      MET   2  30.864  -4.960   7.256
   13    HG2  MET   2           HG2      MET   2  31.711  -3.564   5.278
   14    HG3  MET   2           HG1      MET   2  33.144  -3.147   6.269
   15    HE1  MET   2           HE1      MET   2  34.796  -4.450   7.103
   16    HE2  MET   2           HE2      MET   2  35.266  -6.131   6.672
   17    HE3  MET   2           HE3      MET   2  33.957  -5.844   7.869
   18    H    ARG   3           HN       ARG   3  28.371  -3.949   7.541
   19    HA   ARG   3           HA       ARG   3  28.230  -4.301  10.393
   20    HB2  ARG   3           HB2      ARG   3  25.773  -3.598  10.304
   21    HB3  ARG   3           HB1      ARG   3  26.987  -2.260  10.299
   22    HG2  ARG   3           HG2      ARG   3  26.126  -1.495   8.361
   23    HG3  ARG   3           HG1      ARG   3  26.635  -3.030   7.569
   24    HD2  ARG   3           HD2      ARG   3  24.450  -3.574   7.257
   25    HD3  ARG   3           HD1      ARG   3  24.244  -3.625   9.066
   26    HE   ARG   3           HE       ARG   3  24.172  -0.882   7.997
   27   HH11  ARG   3          HH11      ARG   3  22.338  -3.879   8.557
   28   HH12  ARG   3          HH12      ARG   3  20.792  -3.102   8.634
   29   HH21  ARG   3          HH21      ARG   3  22.073   0.177   8.099
   30   HH22  ARG   3          HH22      ARG   3  20.640  -0.757   8.366
   31    H    LEU   4           HN       LEU   4  28.521  -6.367  10.164
   32    HA   LEU   4           HA       LEU   4  26.270  -7.663   8.836
   33    HB2  LEU   4           HB2      LEU   4  29.242  -8.372   8.726
   34    HB3  LEU   4           HB1      LEU   4  27.932  -9.525   8.229
   35    HG   LEU   4           HG       LEU   4  28.120  -6.690   7.297
   36   HD11  LEU   4          HD11      LEU   4  29.335  -9.202   6.002
   37   HD12  LEU   4          HD12      LEU   4  30.139  -7.629   6.374
   38   HD13  LEU   4          HD13      LEU   4  28.940  -7.734   5.030
   39   HD21  LEU   4          HD21      LEU   4  25.923  -7.311   6.926
   40   HD22  LEU   4          HD22      LEU   4  26.345  -9.031   6.559
   41   HD23  LEU   4          HD23      LEU   4  26.673  -7.743   5.338
   42    H    SER   5           HN       SER   5  25.559  -7.330  10.951
   43    HA   SER   5           HA       SER   5  25.951  -9.755  12.433
   44    HB2  SER   5           HB2      SER   5  26.009  -8.561  14.649
   45    HB3  SER   5           HB1      SER   5  27.531  -8.417  13.681
   46    HG   SER   5           HG       SER   5  26.638  -6.444  14.640
   47    H    DAB   6           HN       DAB   6  24.438  -6.759  11.735
   48    HA   DAB   6           HA       DAB   6  22.001  -6.957  12.969
   49    HB2  DAB   6           HB1      DAB   6  22.402  -6.008  10.098
   50    HB3  DAB   6           HB2      DAB   6  23.216  -5.098  11.420
   51    HG2  DAB   6           HG2      DAB   6  21.220  -4.318  12.332
   52    HG3  DAB   6           HG1      DAB   6  20.839  -4.326  10.574
   53    H    PHE   7           HN       PHE   7  23.565  -8.148  10.218
   54    HA   PHE   7           HA       PHE   7  21.400  -9.172   8.854
   55    HB2  PHE   7           HB2      PHE   7  24.361  -9.592   9.046
   56    HB3  PHE   7           HB1      PHE   7  23.365 -10.681   8.010
   57    HD1  PHE   7           HD1      PHE   7  23.633  -7.016   8.668
   58    HD2  PHE   7           HD2      PHE   7  23.436 -10.130   5.792
   59    HE1  PHE   7           HE1      PHE   7  23.726  -5.383   6.873
   60    HE2  PHE   7           HE2      PHE   7  23.524  -8.486   4.009
   61    HZ   PHE   7           HZ       PHE   7  23.667  -6.142   4.583
   62    H    PHE   8           HN       PHE   8  23.135 -10.146  11.737
   63    HA   PHE   8           HA       PHE   8  22.050 -12.800  11.217
   64    HB2  PHE   8           HB2      PHE   8  24.359 -11.875  13.073
   65    HB3  PHE   8           HB1      PHE   8  23.923 -13.637  12.693
   66    HD1  PHE   8           HD1      PHE   8  26.265 -11.353  11.729
   67    HD2  PHE   8           HD2      PHE   8  23.063 -13.569  10.086
   68    HE1  PHE   8           HE1      PHE   8  26.931 -10.693   9.479
   69    HE2  PHE   8           HE2      PHE   8  23.635 -12.915   7.932
   70    HZ   PHE   8           HZ       PHE   8  25.692 -11.561   7.521
   71    H    ARG   9           HN       ARG   9  20.615 -10.766  11.537
   72    HA   ARG   9           HA       ARG   9  18.944 -11.680  13.617
   73    HB2  ARG   9           HB2      ARG   9  18.620  -8.909  14.012
   74    HB3  ARG   9           HB1      ARG   9  19.365 -10.044  15.184
   75    HG2  ARG   9           HG2      ARG   9  21.325  -9.228  13.157
   76    HG3  ARG   9           HG1      ARG   9  20.553  -7.793  13.906
   77    HD2  ARG   9           HD2      ARG   9  21.835 -10.123  15.454
   78    HD3  ARG   9           HD1      ARG   9  22.654  -8.533  15.066
   79    HE   ARG   9           HE       ARG   9  20.240  -7.810  16.320
   80   HH11  ARG   9          HH11      ARG   9  23.024  -9.897  17.074
   81   HH12  ARG   9          HH12      ARG   9  22.944  -9.649  18.787
   82   HH21  ARG   9          HH21      ARG   9  20.128  -7.471  18.649
   83   HH22  ARG   9          HH22      ARG   9  21.267  -8.246  19.697
   84    H    GLN  10           HN       GLN  10  19.792 -10.016  10.585
   85    HA   GLN  10           HA       GLN  10  17.002 -10.190   9.871
   86    HB2  GLN  10           HB2      GLN  10  18.139  -7.627   8.856
   87    HB3  GLN  10           HB1      GLN  10  16.512  -7.945   9.537
   88    HG2  GLN  10           HG2      GLN  10  17.077  -6.862  11.462
   89    HG3  GLN  10           HG1      GLN  10  18.436  -8.006  11.741
   90   HE21  GLN  10          HE21      GLN  10  19.894  -6.445  12.528
   91    H    PHE  11           HN       PHE  11  16.901  -9.246   7.391
   92    HA   PHE  11           HA       PHE  11  17.632  -9.318   5.320
   93    HB2  PHE  11           HB2      PHE  11  20.496  -9.768   6.418
   94    HB3  PHE  11           HB1      PHE  11  20.080  -9.447   4.681
   95    HD1  PHE  11           HD1      PHE  11  21.187  -8.031   7.550
   96    HD2  PHE  11           HD2      PHE  11  18.415  -7.359   4.447
   97    HE1  PHE  11           HE1      PHE  11  21.207  -5.662   8.077
   98    HE2  PHE  11           HE2      PHE  11  18.441  -4.974   4.928
   99    HZ   PHE  11           HZ       PHE  11  19.843  -4.095   6.749
  100    H    ILE  12           HN       ILE  12  19.804 -11.718   6.945
  101    HA   ILE  12           HA       ILE  12  19.075 -13.670   4.952
  102    HB   ILE  12           HB       ILE  12  20.686 -13.980   7.536
  103   HG12  ILE  12          HG12      ILE  12  22.644 -13.937   5.778
  104   HG13  ILE  12          HG11      ILE  12  21.472 -13.103   4.697
  105   HG21  ILE  12          HG21      ILE  12  20.165 -16.173   6.878
  106   HG22  ILE  12          HG22      ILE  12  21.642 -15.909   5.877
  107   HG23  ILE  12          HG23      ILE  12  20.008 -15.749   5.131
  108   HD11  ILE  12          HD11      ILE  12  23.106 -11.816   6.512
  109   HD12  ILE  12          HD12      ILE  12  21.602 -12.000   7.504
  110   HD13  ILE  12          HD13      ILE  12  21.556 -11.145   5.905
  111    H    LEU  13           HN       LEU  13  18.649 -12.984   8.422
  112    HA   LEU  13           HA       LEU  13  17.348 -15.474   8.778
  113    HB2  LEU  13           HB2      LEU  13  17.268 -13.171  10.751
  114    HB3  LEU  13           HB1      LEU  13  17.224 -14.939  11.087
  115    HG   LEU  13           HG       LEU  13  19.574 -13.208  10.181
  116   HD11  LEU  13          HD11      LEU  13  19.027 -13.251  12.606
  117   HD12  LEU  13          HD12      LEU  13  20.592 -14.096  12.301
  118   HD13  LEU  13          HD13      LEU  13  19.100 -15.049  12.625
  119   HD21  LEU  13          HD21      LEU  13  20.451 -15.945  10.709
  120   HD22  LEU  13          HD22      LEU  13  20.616 -14.977   9.198
  121   HD23  LEU  13          HD23      LEU  13  19.157 -16.007   9.455
  122    H    GLN  14           HN       GLN  14  16.367 -11.973   8.931
  123    HA   GLN  14           HA       GLN  14  13.790 -12.797   7.906
  124    HB2  GLN  14           HB2      GLN  14  12.441 -11.782   9.710
  125    HB3  GLN  14           HB1      GLN  14  13.455 -13.106  10.382
  126    HG2  GLN  14           HG2      GLN  14  15.161 -11.365  11.133
  127    HG3  GLN  14           HG1      GLN  14  14.021 -10.073  10.581
  128   HE21  GLN  14          HE21      GLN  14  15.042 -11.419  13.341
  129   HE22  GLN  14          HE22      GLN  14  13.583 -11.467  14.273
  130    H    ARG  15           HN       ARG  15  12.437 -10.879   7.282
  131    HA   ARG  15           HA       ARG  15  13.813  -8.359   7.458
  132    HB2  ARG  15           HB2      ARG  15  13.782  -7.911   5.015
  133    HB3  ARG  15           HB1      ARG  15  14.845  -9.311   5.381
  134    HG2  ARG  15           HG2      ARG  15  12.966 -10.876   4.772
  135    HG3  ARG  15           HG1      ARG  15  11.949  -9.458   4.344
  136    HD2  ARG  15           HD2      ARG  15  12.939 -10.377   2.273
  137    HD3  ARG  15           HD1      ARG  15  13.755  -8.789   2.625
  138    HE   ARG  15           HE       ARG  15  15.224 -10.944   3.882
  139   HH11  ARG  15          HH11      ARG  15  14.417  -9.521   0.718
  140   HH12  ARG  15          HH12      ARG  15  15.893 -10.001  -0.047
  141   HH21  ARG  15          HH21      ARG  15  17.230 -11.595   2.850
  142   HH22  ARG  15          HH22      ARG  15  17.522 -11.205   1.186
  143    H    LYS  16           HN       LYS  16  12.364  -6.566   6.656
  144    HA   LYS  16           HA       LYS  16   9.665  -7.299   7.337
  145    HB2  LYS  16           HB2      LYS  16   9.308  -4.728   6.889
  146    HB3  LYS  16           HB1      LYS  16  10.195  -5.238   8.364
  147    HG2  LYS  16           HG2      LYS  16  11.863  -4.801   5.883
  148    HG3  LYS  16           HG1      LYS  16  11.107  -3.341   6.606
  149    HD2  LYS  16           HD2      LYS  16  12.673  -5.344   8.326
  150    HD3  LYS  16           HD1      LYS  16  13.509  -4.052   7.398
  151    HE2  LYS  16           HE2      LYS  16  12.111  -2.312   8.590
  152    HE3  LYS  16           HE1      LYS  16  11.330  -3.634   9.556
  153    HZ1  LYS  16           HZ1      LYS  16  13.219  -4.007  10.705
  154    HZ2  LYS  16           HZ2      LYS  16  13.411  -2.347  10.406
  155    HZ3  LYS  16           HZ3      LYS  16  14.261  -3.482   9.472
  156    H    LYS  17           HN       LYS  17  11.592  -6.967   4.525
  157    HA   LYS  17           HA       LYS  17   9.559  -5.980   2.818
  158    HB2  LYS  17           HB2      LYS  17  11.946  -7.751   2.037
  159    HB3  LYS  17           HB1      LYS  17  10.981  -6.708   0.935
  160    HG2  LYS  17           HG2      LYS  17  12.755  -5.713   3.251
  161    HG3  LYS  17           HG1      LYS  17  13.195  -5.701   1.510
  162    HD2  LYS  17           HD2      LYS  17  11.237  -4.187   1.044
  163    HD3  LYS  17           HD1      LYS  17  10.847  -4.173   2.800
  164    HE2  LYS  17           HE2      LYS  17  13.087  -3.139   3.293
  165    HE3  LYS  17           HE1      LYS  17  13.470  -3.144   1.521
  166    HZ1  LYS  17           HZ1      LYS  17  10.947  -1.977   1.932
  167    HZ2  LYS  17           HZ2      LYS  17  12.372  -1.282   1.326
  168    HZ3  LYS  17           HZ3      LYS  17  12.055  -1.255   2.994
  Start of MODEL    5
    1    H1   GLU   1           HT1      GLU   1  33.282   0.005   9.742
    2    H2   GLU   1           HT2      GLU   1  31.590   0.125   9.647
    3    H3   GLU   1           HT3      GLU   1  32.545   1.529   9.612
    4    HA   GLU   1           HA       GLU   1  32.298   1.408   7.437
    5    HB2  GLU   1           HB2      GLU   1  34.290  -0.882   7.922
    6    HB3  GLU   1           HB1      GLU   1  34.001  -0.145   6.307
    7    HG2  GLU   1           HG2      GLU   1  35.069   1.346   8.802
    8    HG3  GLU   1           HG1      GLU   1  36.044   0.822   7.371
    9    H    MET   2           HN       MET   2  32.018  -1.900   8.862
   10    HA   MET   2           HA       MET   2  29.950  -2.382   6.847
   11    HB2  MET   2           HB2      MET   2  32.052  -4.397   7.836
   12    HB3  MET   2           HB1      MET   2  30.587  -4.844   6.894
   13    HG2  MET   2           HG2      MET   2  31.369  -3.434   4.991
   14    HG3  MET   2           HG1      MET   2  32.821  -2.957   5.928
   15    HE1  MET   2           HE1      MET   2  34.135  -3.528   3.865
   16    HE2  MET   2           HE2      MET   2  32.732  -4.194   2.962
   17    HE3  MET   2           HE3      MET   2  34.257  -5.137   3.075
   18    H    ARG   3           HN       ARG   3  28.229  -3.748   7.570
   19    HA   ARG   3           HA       ARG   3  28.325  -4.361  10.388
   20    HB2  ARG   3           HB2      ARG   3  25.882  -3.631  10.546
   21    HB3  ARG   3           HB1      ARG   3  27.107  -2.304  10.534
   22    HG2  ARG   3           HG2      ARG   3  26.113  -1.401   8.722
   23    HG3  ARG   3           HG1      ARG   3  26.518  -2.889   7.795
   24    HD2  ARG   3           HD2      ARG   3  24.288  -3.311   7.613
   25    HD3  ARG   3           HD1      ARG   3  24.269  -3.595   9.412
   26    HE   ARG   3           HE       ARG   3  24.147  -0.737   8.741
   27   HH11  ARG   3          HH11      ARG   3  22.301  -3.767   9.011
   28   HH12  ARG   3          HH12      ARG   3  20.784  -2.996   9.330
   29   HH21  ARG   3          HH21      ARG   3  22.085   0.315   9.170
   30   HH22  ARG   3          HH22      ARG   3  20.660  -0.635   9.419
   31    H    LEU   4           HN       LEU   4  28.574  -6.405   9.975
   32    HA   LEU   4           HA       LEU   4  26.212  -7.577   8.725
   33    HB2  LEU   4           HB2      LEU   4  29.160  -8.290   8.331
   34    HB3  LEU   4           HB1      LEU   4  27.804  -9.392   7.848
   35    HG   LEU   4           HG       LEU   4  27.950  -6.494   7.131
   36   HD11  LEU   4          HD11      LEU   4  28.983  -8.900   5.503
   37   HD12  LEU   4          HD12      LEU   4  29.894  -7.426   6.008
   38   HD13  LEU   4          HD13      LEU   4  28.608  -7.305   4.747
   39   HD21  LEU   4          HD21      LEU   4  26.084  -8.752   6.382
   40   HD22  LEU   4          HD22      LEU   4  26.347  -7.407   5.207
   41   HD23  LEU   4          HD23      LEU   4  25.728  -7.049   6.870
   42    H    SER   5           HN       SER   5  25.658  -7.419  10.899
   43    HA   SER   5           HA       SER   5  26.136  -9.955  12.151
   44    HB2  SER   5           HB2      SER   5  26.371  -8.944  14.445
   45    HB3  SER   5           HB1      SER   5  27.819  -8.732  13.383
   46    HG   SER   5           HG       SER   5  27.053  -6.833  14.546
   47    H    DAB   6           HN       DAB   6  24.612  -6.900  11.817
   48    HA   DAB   6           HA       DAB   6  22.270  -7.187  13.209
   49    HB2  DAB   6           HB1      DAB   6  22.462  -6.002  10.404
   50    HB3  DAB   6           HB2      DAB   6  23.393  -5.214  11.727
   51    HG2  DAB   6           HG2      DAB   6  21.485  -4.501  12.860
   52    HG3  DAB   6           HG1      DAB   6  20.969  -4.351  11.144
   53    H    PHE   7           HN       PHE   7  23.610  -8.154  10.259
   54    HA   PHE   7           HA       PHE   7  21.336  -9.046   8.981
   55    HB2  PHE   7           HB2      PHE   7  24.298  -9.498   8.912
   56    HB3  PHE   7           HB1      PHE   7  23.213 -10.490   7.866
   57    HD1  PHE   7           HD1      PHE   7  23.591  -6.898   8.810
   58    HD2  PHE   7           HD2      PHE   7  23.106  -9.750   5.705
   59    HE1  PHE   7           HE1      PHE   7  23.566  -5.116   7.156
   60    HE2  PHE   7           HE2      PHE   7  23.076  -7.960   4.067
   61    HZ   PHE   7           HZ       PHE   7  23.305  -5.676   4.823
   62    H    PHE   8           HN       PHE   8  23.271 -10.268  11.632
   63    HA   PHE   8           HA       PHE   8  22.120 -12.864  10.978
   64    HB2  PHE   8           HB2      PHE   8  24.569 -12.108  12.729
   65    HB3  PHE   8           HB1      PHE   8  24.088 -13.830  12.235
   66    HD1  PHE   8           HD1      PHE   8  26.384 -11.493  11.300
   67    HD2  PHE   8           HD2      PHE   8  23.039 -13.531   9.710
   68    HE1  PHE   8           HE1      PHE   8  26.897 -10.649   9.072
   69    HE2  PHE   8           HE2      PHE   8  23.464 -12.699   7.586
   70    HZ   PHE   8           HZ       PHE   8  25.508 -11.332   7.142
   71    H    ARG   9           HN       ARG   9  20.734 -10.855  11.571
   72    HA   ARG   9           HA       ARG   9  19.213 -11.932  13.686
   73    HB2  ARG   9           HB2      ARG   9  18.949  -9.203  14.334
   74    HB3  ARG   9           HB1      ARG   9  19.769 -10.436  15.348
   75    HG2  ARG   9           HG2      ARG   9  21.580  -9.463  13.255
   76    HG3  ARG   9           HG1      ARG   9  20.880  -8.091  14.172
   77    HD2  ARG   9           HD2      ARG   9  22.251 -10.543  15.426
   78    HD3  ARG   9           HD1      ARG   9  23.051  -8.927  15.112
   79    HE   ARG   9           HE       ARG   9  20.730  -8.322  16.595
   80   HH11  ARG   9          HH11      ARG   9  23.585 -10.417  16.963
   81   HH12  ARG   9          HH12      ARG   9  23.644 -10.299  18.690
   82   HH21  ARG   9          HH21      ARG   9  20.805  -8.160  18.946
   83   HH22  ARG   9          HH22      ARG   9  22.035  -8.993  19.836
   84    H    GLN  10           HN       GLN  10  19.851 -10.018  10.751
   85    HA   GLN  10           HA       GLN  10  17.011 -10.115  10.242
   86    HB2  GLN  10           HB2      GLN  10  18.102  -7.485   9.356
   87    HB3  GLN  10           HB1      GLN  10  16.529  -7.845  10.134
   88    HG2  GLN  10           HG2      GLN  10  17.256  -6.928  12.089
   89    HG3  GLN  10           HG1      GLN  10  18.612  -8.105  12.170
   90   HE21  GLN  10          HE21      GLN  10  20.135  -6.614  12.982
   91    H    PHE  11           HN       PHE  11  16.732  -8.971   7.865
   92    HA   PHE  11           HA       PHE  11  17.298  -8.884   5.745
   93    HB2  PHE  11           HB2      PHE  11  20.236  -9.441   6.570
   94    HB3  PHE  11           HB1      PHE  11  19.684  -8.969   4.907
   95    HD1  PHE  11           HD1      PHE  11  21.039  -7.811   7.783
   96    HD2  PHE  11           HD2      PHE  11  18.038  -6.859   4.982
   97    HE1  PHE  11           HE1      PHE  11  21.144  -5.493   8.493
   98    HE2  PHE  11           HE2      PHE  11  18.136  -4.522   5.656
   99    HZ   PHE  11           HZ       PHE  11  19.698  -3.809   7.418
  100    H    ILE  12           HN       ILE  12  19.597 -11.396   6.957
  101    HA   ILE  12           HA       ILE  12  18.681 -13.195   4.909
  102    HB   ILE  12           HB       ILE  12  20.462 -13.706   7.345
  103   HG12  ILE  12          HG12      ILE  12  22.292 -13.566   5.453
  104   HG13  ILE  12          HG11      ILE  12  21.058 -12.642   4.523
  105   HG21  ILE  12          HG21      ILE  12  19.597 -15.295   4.873
  106   HG22  ILE  12          HG22      ILE  12  19.851 -15.840   6.575
  107   HG23  ILE  12          HG23      ILE  12  21.270 -15.530   5.506
  108   HD11  ILE  12          HD11      ILE  12  22.842 -11.500   6.286
  109   HD12  ILE  12          HD12      ILE  12  21.424 -11.750   7.388
  110   HD13  ILE  12          HD13      ILE  12  21.254 -10.778   5.864
  111    H    LEU  13           HN       LEU  13  18.492 -12.734   8.433
  112    HA   LEU  13           HA       LEU  13  17.147 -15.226   8.684
  113    HB2  LEU  13           HB2      LEU  13  17.334 -13.136  10.868
  114    HB3  LEU  13           HB1      LEU  13  17.269 -14.926  11.028
  115    HG   LEU  13           HG       LEU  13  19.579 -13.161  10.083
  116   HD11  LEU  13          HD11      LEU  13  19.276 -15.212  12.381
  117   HD12  LEU  13          HD12      LEU  13  19.241 -13.419  12.533
  118   HD13  LEU  13          HD13      LEU  13  20.754 -14.251  12.012
  119   HD21  LEU  13          HD21      LEU  13  20.568 -14.861   8.932
  120   HD22  LEU  13          HD22      LEU  13  19.033 -15.800   9.055
  121   HD23  LEU  13          HD23      LEU  13  20.322 -16.015  10.294
  122    H    GLN  14           HN       GLN  14  16.367 -11.720   9.233
  123    HA   GLN  14           HA       GLN  14  13.597 -12.453   8.625
  124    HB2  GLN  14           HB2      GLN  14  13.793 -12.421  11.148
  125    HB3  GLN  14           HB1      GLN  14  14.424 -10.740  11.041
  126    HG2  GLN  14           HG2      GLN  14  12.253  -9.985  10.009
  127    HG3  GLN  14           HG1      GLN  14  11.616 -11.675  10.134
  128   HE21  GLN  14          HE21      GLN  14  10.339 -11.980  11.894
  129   HE22  GLN  14          HE22      GLN  14  10.534 -11.222  13.438
  130    H    ARG  15           HN       ARG  15  12.562 -10.933   7.331
  131    HA   ARG  15           HA       ARG  15  13.765  -8.288   7.260
  132    HB2  ARG  15           HB2      ARG  15  13.767  -8.209   4.785
  133    HB3  ARG  15           HB1      ARG  15  14.854  -9.521   5.353
  134    HG2  ARG  15           HG2      ARG  15  13.094 -11.217   4.906
  135    HG3  ARG  15           HG1      ARG  15  11.949  -9.927   4.404
  136    HD2  ARG  15           HD2      ARG  15  12.913 -10.959   2.377
  137    HD3  ARG  15           HD1      ARG  15  13.620  -9.290   2.540
  138    HE   ARG  15           HE       ARG  15  15.317 -11.179   3.913
  139   HH11  ARG  15          HH11      ARG  15  14.218 -10.221   0.661
  140   HH12  ARG  15          HH12      ARG  15  15.684 -10.681  -0.137
  141   HH21  ARG  15          HH21      ARG  15  17.306 -11.799   2.835
  142   HH22  ARG  15          HH22      ARG  15  17.473 -11.596   1.122
  143    H    LYS  16           HN       LYS  16  12.250  -6.695   6.222
  144    HA   LYS  16           HA       LYS  16   9.564  -7.487   6.916
  145    HB2  LYS  16           HB2      LYS  16   9.133  -4.974   6.176
  146    HB3  LYS  16           HB1      LYS  16   9.906  -5.321   7.760
  147    HG2  LYS  16           HG2      LYS  16  11.734  -5.016   5.361
  148    HG3  LYS  16           HG1      LYS  16  10.912  -3.539   5.966
  149    HD2  LYS  16           HD2      LYS  16  11.962  -5.030   8.247
  150    HD3  LYS  16           HD1      LYS  16  13.263  -4.863   7.020
  151    HE2  LYS  16           HE2      LYS  16  11.557  -2.455   7.917
  152    HE3  LYS  16           HE1      LYS  16  13.069  -2.957   8.783
  153    HZ1  LYS  16           HZ1      LYS  16  13.011  -1.280   6.746
  154    HZ2  LYS  16           HZ2      LYS  16  13.236  -2.726   5.886
  155    HZ3  LYS  16           HZ3      LYS  16  14.337  -2.279   7.099
  156    H    LYS  17           HN       LYS  17  11.573  -7.345   4.150
  157    HA   LYS  17           HA       LYS  17   9.559  -6.610   2.296
  158    HB2  LYS  17           HB2      LYS  17  12.209  -6.693   1.976
  159    HB3  LYS  17           HB1      LYS  17  11.905  -8.416   1.562
  160    HG2  LYS  17           HG2      LYS  17  10.266  -7.677  -0.207
  161    HG3  LYS  17           HG1      LYS  17  10.655  -5.966   0.177
  162    HD2  LYS  17           HD2      LYS  17  12.751  -8.039  -0.712
  163    HD3  LYS  17           HD1      LYS  17  11.872  -6.959  -1.848
  164    HE2  LYS  17           HE2      LYS  17  12.795  -4.947  -0.602
  165    HE3  LYS  17           HE1      LYS  17  13.746  -6.077   0.452
  166    HZ1  LYS  17           HZ1      LYS  17  13.970  -5.670  -2.480
  167    HZ2  LYS  17           HZ2      LYS  17  14.698  -6.965  -1.658
  168    HZ3  LYS  17           HZ3      LYS  17  15.127  -5.368  -1.275
  Start of MODEL    6
    1    H1   GLU   1           HT1      GLU   1  30.523   0.113   9.520
    2    H2   GLU   1           HT2      GLU   1  31.538   1.474   9.444
    3    H3   GLU   1           HT3      GLU   1  31.702   0.363  10.718
    4    HA   GLU   1           HA       GLU   1  32.713   0.278   8.032
    5    HB2  GLU   1           HB2      GLU   1  33.428  -1.087  10.692
    6    HB3  GLU   1           HB1      GLU   1  34.383  -1.302   9.184
    7    HG2  GLU   1           HG2      GLU   1  33.910   1.384  10.651
    8    HG3  GLU   1           HG1      GLU   1  35.435   0.411  10.665
    9    H    MET   2           HN       MET   2  30.992  -1.957  10.303
   10    HA   MET   2           HA       MET   2  30.568  -3.679   7.975
   11    HB2  MET   2           HB2      MET   2  31.268  -4.585  10.827
   12    HB3  MET   2           HB1      MET   2  30.608  -5.679   9.561
   13    HG2  MET   2           HG2      MET   2  32.614  -5.046   8.099
   14    HG3  MET   2           HG1      MET   2  33.292  -4.179   9.513
   15    HE1  MET   2           HE1      MET   2  32.667  -6.064  12.115
   16    HE2  MET   2           HE2      MET   2  33.933  -4.929  11.531
   17    HE3  MET   2           HE3      MET   2  34.385  -6.591  12.043
   18    H    ARG   3           HN       ARG   3  28.560  -4.827   8.007
   19    HA   ARG   3           HA       ARG   3  26.798  -4.058  10.162
   20    HB2  ARG   3           HB2      ARG   3  24.959  -3.757   8.374
   21    HB3  ARG   3           HB1      ARG   3  26.090  -2.378   8.638
   22    HG2  ARG   3           HG2      ARG   3  26.496  -2.423   6.412
   23    HG3  ARG   3           HG1      ARG   3  27.418  -3.934   6.723
   24    HD2  ARG   3           HD2      ARG   3  25.874  -5.236   5.657
   25    HD3  ARG   3           HD1      ARG   3  24.492  -4.432   6.520
   26    HE   ARG   3           HE       ARG   3  25.715  -3.558   3.918
   27   HH11  ARG   3          HH11      ARG   3  23.368  -3.074   6.563
   28   HH12  ARG   3          HH12      ARG   3  22.361  -1.984   5.671
   29   HH21  ARG   3          HH21      ARG   3  24.344  -2.075   2.716
   30   HH22  ARG   3          HH22      ARG   3  22.925  -1.406   3.450
   31    H    LEU   4           HN       LEU   4  26.973  -6.043  10.886
   32    HA   LEU   4           HA       LEU   4  25.830  -8.062   9.090
   33    HB2  LEU   4           HB2      LEU   4  27.470  -8.548  11.621
   34    HB3  LEU   4           HB1      LEU   4  27.101  -9.727  10.300
   35    HG   LEU   4           HG       LEU   4  28.809  -7.235  10.144
   36   HD11  LEU   4          HD11      LEU   4  29.895  -9.120  11.370
   37   HD12  LEU   4          HD12      LEU   4  30.735  -8.778   9.810
   38   HD13  LEU   4          HD13      LEU   4  29.633 -10.201   9.949
   39   HD21  LEU   4          HD21      LEU   4  29.217  -7.641   7.813
   40   HD22  LEU   4          HD22      LEU   4  27.436  -7.870   8.004
   41   HD23  LEU   4          HD23      LEU   4  28.525  -9.305   7.889
   42    H    SER   5           HN       SER   5  25.430  -6.119  11.928
   43    HA   SER   5           HA       SER   5  23.818  -8.126  13.200
   44    HB2  SER   5           HB2      SER   5  23.219  -6.415  14.874
   45    HB3  SER   5           HB1      SER   5  25.012  -6.551  14.682
   46    HG   SER   5           HG       SER   5  23.247  -4.510  13.963
   47    H    DAB   6           HN       DAB   6  23.671  -6.406  10.577
   48    HA   DAB   6           HA       DAB   6  20.981  -5.598  10.483
   49    HB2  DAB   6           HB1      DAB   6  23.022  -6.172   8.280
   50    HB3  DAB   6           HB2      DAB   6  23.059  -4.623   9.192
   51    HG2  DAB   6           HG2      DAB   6  21.214  -3.784   8.149
   52    HG3  DAB   6           HG1      DAB   6  21.783  -4.888   6.855
   53    H    PHE   7           HN       PHE   7  23.337  -7.945   9.534
   54    HA   PHE   7           HA       PHE   7  21.670  -9.497   7.955
   55    HB2  PHE   7           HB2      PHE   7  24.276  -9.919   9.410
   56    HB3  PHE   7           HB1      PHE   7  23.468 -11.278   8.610
   57    HD1  PHE   7           HD1      PHE   7  24.102  -7.730   7.677
   58    HD2  PHE   7           HD2      PHE   7  24.652 -11.822   6.726
   59    HE1  PHE   7           HE1      PHE   7  25.217  -7.113   5.608
   60    HE2  PHE   7           HE2      PHE   7  25.760 -11.195   4.661
   61    HZ   PHE   7           HZ       PHE   7  26.019  -8.848   4.134
   62    H    PHE   8           HN       PHE   8  22.104  -9.041  11.439
   63    HA   PHE   8           HA       PHE   8  20.828 -11.674  11.650
   64    HB2  PHE   8           HB2      PHE   8  22.045  -9.895  13.875
   65    HB3  PHE   8           HB1      PHE   8  21.578 -11.673  14.035
   66    HD1  PHE   8           HD1      PHE   8  24.477 -10.038  13.903
   67    HD2  PHE   8           HD2      PHE   8  22.188 -12.564  11.389
   68    HE1  PHE   8           HE1      PHE   8  26.377 -10.339  12.393
   69    HE2  PHE   8           HE2      PHE   8  23.870 -12.784   9.892
   70    HZ   PHE   8           HZ       PHE   8  26.147 -11.803  10.387
   71    H    ARG   9           HN       ARG   9  19.790  -9.722  10.333
   72    HA   ARG   9           HA       ARG   9  17.208  -9.801  11.494
   73    HB2  ARG   9           HB2      ARG   9  17.799  -7.185  10.260
   74    HB3  ARG   9           HB1      ARG   9  16.706  -7.592  11.629
   75    HG2  ARG   9           HG2      ARG   9  18.446  -7.513  13.226
   76    HG3  ARG   9           HG1      ARG   9  19.740  -7.740  11.985
   77    HD2  ARG   9           HD2      ARG   9  19.954  -5.507  11.917
   78    HD3  ARG   9           HD1      ARG   9  18.314  -5.478  11.137
   79    HE   ARG   9           HE       ARG   9  18.002  -5.630  14.008
   80   HH11  ARG   9          HH11      ARG   9  19.026  -3.448  11.386
   81   HH12  ARG   9          HH12      ARG   9  18.581  -1.993  12.213
   82   HH21  ARG   9          HH21      ARG   9  17.397  -3.652  15.136
   83   HH22  ARG   9          HH22      ARG   9  17.639  -2.112  14.383
   84    H    GLN  10           HN       GLN  10  19.591  -9.720   8.867
   85    HA   GLN  10           HA       GLN  10  17.417 -10.343   7.066
   86    HB2  GLN  10           HB2      GLN  10  19.421  -8.571   5.733
   87    HB3  GLN  10           HB1      GLN  10  17.635  -8.572   5.572
   88    HG2  GLN  10           HG2      GLN  10  17.465  -6.700   6.867
   89    HG3  GLN  10           HG1      GLN  10  18.350  -7.494   8.215
   90   HE21  GLN  10          HE21      GLN  10  19.612  -5.713   8.820
   91    H    PHE  11           HN       PHE  11  18.562 -10.770   4.731
   92    HA   PHE  11           HA       PHE  11  20.038 -11.867   3.538
   93    HB2  PHE  11           HB2      PHE  11  22.046 -11.519   5.875
   94    HB3  PHE  11           HB1      PHE  11  22.455 -12.151   4.222
   95    HD1  PHE  11           HD1      PHE  11  22.168  -9.356   6.252
   96    HD2  PHE  11           HD2      PHE  11  21.775 -10.647   2.258
   97    HE1  PHE  11           HE1      PHE  11  22.414  -7.052   5.507
   98    HE2  PHE  11           HE2      PHE  11  22.025  -8.355   1.481
   99    HZ   PHE  11           HZ       PHE  11  22.354  -6.527   3.098
  100    H    ILE  12           HN       ILE  12  21.093 -13.017   6.792
  101    HA   ILE  12           HA       ILE  12  20.900 -15.737   5.936
  102    HB   ILE  12           HB       ILE  12  21.070 -14.565   8.764
  103   HG12  ILE  12          HG12      ILE  12  23.572 -15.326   8.401
  104   HG13  ILE  12          HG11      ILE  12  23.190 -15.226   6.643
  105   HG21  ILE  12          HG21      ILE  12  21.207 -17.370   7.538
  106   HG22  ILE  12          HG22      ILE  12  20.456 -16.812   9.081
  107   HG23  ILE  12          HG23      ILE  12  22.246 -17.002   8.966
  108   HD11  ILE  12          HD11      ILE  12  22.322 -12.865   8.352
  109   HD12  ILE  12          HD12      ILE  12  23.006 -12.915   6.665
  110   HD13  ILE  12          HD13      ILE  12  24.103 -13.096   8.072
  111    H    LEU  13           HN       LEU  13  19.124 -13.432   7.964
  112    HA   LEU  13           HA       LEU  13  17.300 -15.476   8.697
  113    HB2  LEU  13           HB2      LEU  13  16.857 -12.521   9.205
  114    HB3  LEU  13           HB1      LEU  13  16.348 -13.923  10.204
  115    HG   LEU  13           HG       LEU  13  19.117 -12.682   9.867
  116   HD11  LEU  13          HD11      LEU  13  18.922 -12.497  12.374
  117   HD12  LEU  13          HD12      LEU  13  17.286 -13.248  12.296
  118   HD13  LEU  13          HD13      LEU  13  17.582 -11.656  11.509
  119   HD21  LEU  13          HD21      LEU  13  18.797 -15.485  10.087
  120   HD22  LEU  13          HD22      LEU  13  18.980 -14.967  11.802
  121   HD23  LEU  13          HD23      LEU  13  20.247 -14.536  10.591
  122    H    GLN  14           HN       GLN  14  16.495 -12.134   7.573
  123    HA   GLN  14           HA       GLN  14  15.469 -12.924   5.114
  124    HB2  GLN  14           HB2      GLN  14  13.743 -14.174   6.550
  125    HB3  GLN  14           HB1      GLN  14  13.252 -12.586   7.227
  126    HG2  GLN  14           HG2      GLN  14  12.632 -11.796   4.908
  127    HG3  GLN  14           HG1      GLN  14  13.105 -13.411   4.248
  128   HE21  GLN  14          HE21      GLN  14  10.399 -11.963   4.460
  129   HE22  GLN  14          HE22      GLN  14   9.355 -13.104   5.239
  130    H    ARG  15           HN       ARG  15  13.571 -10.922   7.427
  131    HA   ARG  15           HA       ARG  15  14.981  -8.558   6.709
  132    HB2  ARG  15           HB2      ARG  15  13.121  -7.392   5.573
  133    HB3  ARG  15           HB1      ARG  15  13.577  -8.849   4.628
  134    HG2  ARG  15           HG2      ARG  15  11.680 -10.104   5.803
  135    HG3  ARG  15           HG1      ARG  15  11.170  -8.539   6.519
  136    HD2  ARG  15           HD2      ARG  15  10.851  -7.582   4.203
  137    HD3  ARG  15           HD1      ARG  15  11.336  -9.187   3.494
  138    HE   ARG  15           HE       ARG  15   9.207  -9.569   5.422
  139   HH11  ARG  15          HH11      ARG  15   9.924  -8.254   2.190
  140   HH12  ARG  15          HH12      ARG  15   8.339  -8.538   1.553
  141   HH21  ARG  15          HH21      ARG  15   7.050  -9.955   4.557
  142   HH22  ARG  15          HH22      ARG  15   6.677  -9.522   2.922
  143    H    LYS  16           HN       LYS  16  13.788  -6.606   7.781
  144    HA   LYS  16           HA       LYS  16  12.827  -7.631  10.321
  145    HB2  LYS  16           HB2      LYS  16  13.099  -4.667   9.763
  146    HB3  LYS  16           HB1      LYS  16  13.430  -5.573  11.282
  147    HG2  LYS  16           HG2      LYS  16  15.618  -5.254  10.724
  148    HG3  LYS  16           HG1      LYS  16  15.348  -6.668   9.650
  149    HD2  LYS  16           HD2      LYS  16  15.375  -5.403   7.716
  150    HD3  LYS  16           HD1      LYS  16  14.622  -3.970   8.502
  151    HE2  LYS  16           HE2      LYS  16  16.799  -3.417   9.614
  152    HE3  LYS  16           HE1      LYS  16  17.560  -4.880   8.859
  153    HZ1  LYS  16           HZ1      LYS  16  16.988  -2.307   7.743
  154    HZ2  LYS  16           HZ2      LYS  16  16.401  -3.572   6.777
  155    HZ3  LYS  16           HZ3      LYS  16  18.041  -3.528   7.214
  156    H    LYS  17           HN       LYS  17  11.625  -6.579   7.342
  157    HA   LYS  17           HA       LYS  17   9.391  -5.123   8.354
  158    HB2  LYS  17           HB2      LYS  17   9.630  -6.557   5.645
  159    HB3  LYS  17           HB1      LYS  17   8.443  -5.277   6.075
  160    HG2  LYS  17           HG2      LYS  17  11.500  -4.909   5.924
  161    HG3  LYS  17           HG1      LYS  17  10.319  -4.411   4.666
  162    HD2  LYS  17           HD2      LYS  17   9.217  -2.879   6.336
  163    HD3  LYS  17           HD1      LYS  17  10.445  -3.352   7.560
  164    HE2  LYS  17           HE2      LYS  17  12.269  -2.433   6.088
  165    HE3  LYS  17           HE1      LYS  17  11.022  -1.944   4.865
  166    HZ1  LYS  17           HZ1      LYS  17  11.637  -0.136   6.303
  167    HZ2  LYS  17           HZ2      LYS  17  11.183  -1.010   7.687
  168    HZ3  LYS  17           HZ3      LYS  17  10.009  -0.553   6.546
  Start of MODEL    7
    1    H1   GLU   1           HT1      GLU   1  32.112  -0.215  10.116
    2    H2   GLU   1           HT2      GLU   1  33.226   1.064  10.201
    3    H3   GLU   1           HT3      GLU   1  33.778  -0.530  10.008
    4    HA   GLU   1           HA       GLU   1  32.681   1.321   8.076
    5    HB2  GLU   1           HB2      GLU   1  35.120   0.526   8.220
    6    HB3  GLU   1           HB1      GLU   1  34.531  -1.111   7.762
    7    HG2  GLU   1           HG2      GLU   1  33.666  -0.219   5.584
    8    HG3  GLU   1           HG1      GLU   1  34.210   1.444   6.043
    9    H    MET   2           HN       MET   2  32.331  -2.118   9.066
   10    HA   MET   2           HA       MET   2  30.176  -2.279   7.089
   11    HB2  MET   2           HB2      MET   2  32.150  -4.516   7.834
   12    HB3  MET   2           HB1      MET   2  30.666  -4.746   6.845
   13    HG2  MET   2           HG2      MET   2  31.565  -3.192   5.114
   14    HG3  MET   2           HG1      MET   2  33.037  -2.929   6.101
   15    HE1  MET   2           HE1      MET   2  34.435  -4.858   3.085
   16    HE2  MET   2           HE2      MET   2  34.538  -3.423   4.163
   17    HE3  MET   2           HE3      MET   2  33.095  -3.659   3.116
   18    H    ARG   3           HN       ARG   3  28.394  -3.611   7.737
   19    HA   ARG   3           HA       ARG   3  28.538  -4.469  10.490
   20    HB2  ARG   3           HB2      ARG   3  26.133  -3.662  10.775
   21    HB3  ARG   3           HB1      ARG   3  27.410  -2.385  10.831
   22    HG2  ARG   3           HG2      ARG   3  26.401  -1.305   9.129
   23    HG3  ARG   3           HG1      ARG   3  26.730  -2.725   8.073
   24    HD2  ARG   3           HD2      ARG   3  24.490  -3.096   7.930
   25    HD3  ARG   3           HD1      ARG   3  24.487  -3.453   9.716
   26    HE   ARG   3           HE       ARG   3  24.458  -0.565   9.145
   27   HH11  ARG   3          HH11      ARG   3  22.518  -3.538   9.395
   28   HH12  ARG   3          HH12      ARG   3  21.041  -2.724   9.791
   29   HH21  ARG   3          HH21      ARG   3  22.452   0.542   9.680
   30   HH22  ARG   3          HH22      ARG   3  21.003  -0.365   9.954
   31    H    LEU   4           HN       LEU   4  28.696  -6.480   9.914
   32    HA   LEU   4           HA       LEU   4  26.252  -7.468   8.666
   33    HB2  LEU   4           HB2      LEU   4  29.155  -8.248   8.104
   34    HB3  LEU   4           HB1      LEU   4  27.744  -9.266   7.593
   35    HG   LEU   4           HG       LEU   4  27.965  -6.327   7.089
   36   HD11  LEU   4          HD11      LEU   4  28.493  -7.008   4.616
   37   HD12  LEU   4          HD12      LEU   4  28.894  -8.639   5.279
   38   HD13  LEU   4          HD13      LEU   4  29.829  -7.190   5.815
   39   HD21  LEU   4          HD21      LEU   4  26.267  -7.030   5.166
   40   HD22  LEU   4          HD22      LEU   4  25.717  -6.802   6.874
   41   HD23  LEU   4          HD23      LEU   4  26.005  -8.466   6.228
   42    H    SER   5           HN       SER   5  25.793  -7.451  10.871
   43    HA   SER   5           HA       SER   5  26.223 -10.087  11.915
   44    HB2  SER   5           HB2      SER   5  26.591  -9.254  14.263
   45    HB3  SER   5           HB1      SER   5  28.001  -9.016  13.154
   46    HG   SER   5           HG       SER   5  27.272  -7.190  14.521
   47    H    DAB   6           HN       DAB   6  24.797  -6.968  11.856
   48    HA   DAB   6           HA       DAB   6  22.506  -7.273  13.327
   49    HB2  DAB   6           HB1      DAB   6  22.638  -5.911  10.599
   50    HB3  DAB   6           HB2      DAB   6  23.629  -5.238  11.941
   51    HG2  DAB   6           HG2      DAB   6  21.783  -4.530  13.164
   52    HG3  DAB   6           HG1      DAB   6  21.205  -4.286  11.479
   53    H    PHE   7           HN       PHE   7  23.687  -8.076  10.262
   54    HA   PHE   7           HA       PHE   7  21.336  -8.810   9.027
   55    HB2  PHE   7           HB2      PHE   7  24.277  -9.350   8.805
   56    HB3  PHE   7           HB1      PHE   7  23.117 -10.228   7.737
   57    HD1  PHE   7           HD1      PHE   7  23.673  -6.729   8.915
   58    HD2  PHE   7           HD2      PHE   7  22.939  -9.328   5.643
   59    HE1  PHE   7           HE1      PHE   7  23.644  -4.832   7.396
   60    HE2  PHE   7           HE2      PHE   7  22.905  -7.425   4.139
   61    HZ   PHE   7           HZ       PHE   7  23.256  -5.211   5.043
   62    H    PHE   8           HN       PHE   8  23.344 -10.272  11.499
   63    HA   PHE   8           HA       PHE   8  22.077 -12.779  10.727
   64    HB2  PHE   8           HB2      PHE   8  24.626 -12.223  12.408
   65    HB3  PHE   8           HB1      PHE   8  24.064 -13.890  11.821
   66    HD1  PHE   8           HD1      PHE   8  26.396 -11.567  10.943
   67    HD2  PHE   8           HD2      PHE   8  22.915 -13.380   9.372
   68    HE1  PHE   8           HE1      PHE   8  26.840 -10.585   8.758
   69    HE2  PHE   8           HE2      PHE   8  23.276 -12.414   7.293
   70    HZ   PHE   8           HZ       PHE   8  25.343 -11.085   6.852
   71    H    ARG   9           HN       ARG   9  20.787 -10.777  11.521
   72    HA   ARG   9           HA       ARG   9  19.332 -11.955  13.632
   73    HB2  ARG   9           HB2      ARG   9  19.175  -9.269  14.464
   74    HB3  ARG   9           HB1      ARG   9  20.002 -10.587  15.358
   75    HG2  ARG   9           HG2      ARG   9  21.751  -9.531  13.254
   76    HG3  ARG   9           HG1      ARG   9  21.127  -8.200  14.280
   77    HD2  ARG   9           HD2      ARG   9  22.471 -10.759  15.332
   78    HD3  ARG   9           HD1      ARG   9  23.312  -9.154  15.074
   79    HE   ARG   9           HE       ARG   9  21.094  -8.535  16.684
   80   HH11  ARG   9          HH11      ARG   9  23.809 -10.834  16.825
   81   HH12  ARG   9          HH12      ARG   9  23.922 -10.836  18.553
   82   HH21  ARG   9          HH21      ARG   9  21.243  -8.536  19.036
   83   HH22  ARG   9          HH22      ARG   9  22.437  -9.507  19.832
   84    H    GLN  10           HN       GLN  10  19.891  -9.848  10.808
   85    HA   GLN  10           HA       GLN  10  17.033  -9.853  10.426
   86    HB2  GLN  10           HB2      GLN  10  18.119  -7.185   9.677
   87    HB3  GLN  10           HB1      GLN  10  16.591  -7.578  10.531
   88    HG2  GLN  10           HG2      GLN  10  17.463  -6.804  12.487
   89    HG3  GLN  10           HG1      GLN  10  18.783  -8.020  12.408
   90   HE21  GLN  10          HE21      GLN  10  20.399  -6.633  13.225
   91    H    PHE  11           HN       PHE  11  16.689  -8.494   8.145
   92    HA   PHE  11           HA       PHE  11  17.166  -8.280   6.014
   93    HB2  PHE  11           HB2      PHE  11  20.115  -8.988   6.670
   94    HB3  PHE  11           HB1      PHE  11  19.512  -8.377   5.071
   95    HD1  PHE  11           HD1      PHE  11  21.050  -7.472   7.938
   96    HD2  PHE  11           HD2      PHE  11  17.917  -6.232   5.404
   97    HE1  PHE  11           HE1      PHE  11  21.256  -5.221   8.822
   98    HE2  PHE  11           HE2      PHE  11  18.125  -3.958   6.244
   99    HZ   PHE  11           HZ       PHE  11  19.803  -3.424   7.962
  100    H    ILE  12           HN       ILE  12  19.425 -10.947   6.947
  101    HA   ILE  12           HA       ILE  12  18.360 -12.566   4.819
  102    HB   ILE  12           HB       ILE  12  20.231 -13.308   7.127
  103   HG12  ILE  12          HG12      ILE  12  21.980 -13.089   5.170
  104   HG13  ILE  12          HG11      ILE  12  20.739 -12.065   4.362
  105   HG21  ILE  12          HG21      ILE  12  19.505 -15.359   6.233
  106   HG22  ILE  12          HG22      ILE  12  20.890 -15.021   5.127
  107   HG23  ILE  12          HG23      ILE  12  19.202 -14.683   4.587
  108   HD11  ILE  12          HD11      ILE  12  21.262 -11.390   7.263
  109   HD12  ILE  12          HD12      ILE  12  21.055 -10.305   5.819
  110   HD13  ILE  12          HD13      ILE  12  22.633 -11.101   6.116
  111    H    LEU  13           HN       LEU  13  18.412 -12.392   8.376
  112    HA   LEU  13           HA       LEU  13  16.920 -14.805   8.525
  113    HB2  LEU  13           HB2      LEU  13  17.317 -12.888  10.837
  114    HB3  LEU  13           HB1      LEU  13  17.182 -14.681  10.873
  115    HG   LEU  13           HG       LEU  13  19.523 -12.950   9.946
  116   HD11  LEU  13          HD11      LEU  13  20.735 -14.214  11.737
  117   HD12  LEU  13          HD12      LEU  13  19.240 -15.152  12.103
  118   HD13  LEU  13          HD13      LEU  13  19.277 -13.374  12.387
  119   HD21  LEU  13          HD21      LEU  13  18.812 -15.492   8.773
  120   HD22  LEU  13          HD22      LEU  13  20.162 -15.830   9.916
  121   HD23  LEU  13          HD23      LEU  13  20.371 -14.595   8.619
  122    H    GLN  14           HN       GLN  14  16.433 -11.309   9.315
  123    HA   GLN  14           HA       GLN  14  13.573 -11.896   9.522
  124    HB2  GLN  14           HB2      GLN  14  14.630 -10.448  11.322
  125    HB3  GLN  14           HB1      GLN  14  15.076  -9.265  10.043
  126    HG2  GLN  14           HG2      GLN  14  12.676  -8.861   9.515
  127    HG3  GLN  14           HG1      GLN  14  12.181 -10.114  10.725
  128   HE21  GLN  14          HE21      GLN  14  11.050  -8.581  12.042
  129   HE22  GLN  14          HE22      GLN  14  11.881  -7.412  13.012
  130    H    ARG  15           HN       ARG  15  12.337 -11.691   7.708
  131    HA   ARG  15           HA       ARG  15  13.478 -10.373   5.440
  132    HB2  ARG  15           HB2      ARG  15  10.681 -11.550   5.943
  133    HB3  ARG  15           HB1      ARG  15  11.200 -10.837   4.375
  134    HG2  ARG  15           HG2      ARG  15  13.012 -12.537   4.181
  135    HG3  ARG  15           HG1      ARG  15  12.527 -13.247   5.759
  136    HD2  ARG  15           HD2      ARG  15  10.273 -13.848   4.811
  137    HD3  ARG  15           HD1      ARG  15  10.753 -13.113   3.220
  138    HE   ARG  15           HE       ARG  15  12.154 -14.983   2.813
  139   HH11  ARG  15          HH11      ARG  15  10.999 -14.941   6.188
  140   HH12  ARG  15          HH12      ARG  15  11.562 -16.537   6.559
  141   HH21  ARG  15          HH21      ARG  15  12.915 -17.148   3.323
  142   HH22  ARG  15          HH22      ARG  15  12.669 -17.810   4.903
  143    H    LYS  16           HN       LYS  16  12.651  -8.438   4.419
  144    HA   LYS  16           HA       LYS  16  11.527  -6.641   6.387
  145    HB2  LYS  16           HB2      LYS  16  12.011  -5.809   3.512
  146    HB3  LYS  16           HB1      LYS  16  12.239  -4.857   5.021
  147    HG2  LYS  16           HG2      LYS  16  14.458  -5.223   4.637
  148    HG3  LYS  16           HG1      LYS  16  14.132  -6.814   5.405
  149    HD2  LYS  16           HD2      LYS  16  13.957  -7.929   3.272
  150    HD3  LYS  16           HD1      LYS  16  13.857  -6.373   2.377
  151    HE2  LYS  16           HE2      LYS  16  16.233  -5.853   3.002
  152    HE3  LYS  16           HE1      LYS  16  16.330  -7.415   3.919
  153    HZ1  LYS  16           HZ1      LYS  16  15.399  -7.587   1.169
  154    HZ2  LYS  16           HZ2      LYS  16  16.461  -8.581   2.045
  155    HZ3  LYS  16           HZ3      LYS  16  17.018  -7.121   1.380
  156    H    LYS  17           HN       LYS  17  10.553  -8.769   3.925
  157    HA   LYS  17           HA       LYS  17   8.280  -7.229   3.095
  158    HB2  LYS  17           HB2      LYS  17   9.540  -9.167   1.764
  159    HB3  LYS  17           HB1      LYS  17   8.517 -10.257   2.765
  160    HG2  LYS  17           HG2      LYS  17   6.465  -9.035   1.934
  161    HG3  LYS  17           HG1      LYS  17   7.520  -8.041   0.872
  162    HD2  LYS  17           HD2      LYS  17   7.390 -11.117   0.767
  163    HD3  LYS  17           HD1      LYS  17   6.378 -10.037  -0.254
  164    HE2  LYS  17           HE2      LYS  17   8.488  -9.014  -1.219
  165    HE3  LYS  17           HE1      LYS  17   9.470 -10.182  -0.239
  166    HZ1  LYS  17           HZ1      LYS  17   9.180 -11.632  -1.827
  167    HZ2  LYS  17           HZ2      LYS  17   8.200 -10.562  -2.710
  168    HZ3  LYS  17           HZ3      LYS  17   7.500 -11.622  -1.584
  Start of MODEL    8
    1    H1   GLU   1           HT1      GLU   1  31.564   0.133   9.850
    2    H2   GLU   1           HT2      GLU   1  32.834   1.259   9.904
    3    H3   GLU   1           HT3      GLU   1  33.024  -0.271  10.619
    4    HA   GLU   1           HA       GLU   1  33.305   0.554   7.886
    5    HB2  GLU   1           HB2      GLU   1  35.150  -0.392   9.326
    6    HB3  GLU   1           HB1      GLU   1  34.226  -1.930   9.448
    7    HG2  GLU   1           HG2      GLU   1  34.420  -2.279   6.976
    8    HG3  GLU   1           HG1      GLU   1  35.301  -0.709   6.814
    9    H    MET   2           HN       MET   2  31.603  -2.067   9.706
   10    HA   MET   2           HA       MET   2  29.957  -2.468   7.401
   11    HB2  MET   2           HB2      MET   2  30.286  -4.935   7.282
   12    HB3  MET   2           HB1      MET   2  31.787  -4.061   6.804
   13    HG2  MET   2           HG2      MET   2  32.700  -4.401   9.117
   14    HG3  MET   2           HG1      MET   2  31.211  -5.289   9.570
   15    HE1  MET   2           HE1      MET   2  32.472  -7.252  10.444
   16    HE2  MET   2           HE2      MET   2  34.006  -6.384  10.092
   17    HE3  MET   2           HE3      MET   2  33.814  -8.104   9.604
   18    H    ARG   3           HN       ARG   3  28.193  -4.069   7.910
   19    HA   ARG   3           HA       ARG   3  27.933  -4.651  10.682
   20    HB2  ARG   3           HB2      ARG   3  25.561  -3.651  10.678
   21    HB3  ARG   3           HB1      ARG   3  26.929  -2.501  10.923
   22    HG2  ARG   3           HG2      ARG   3  26.166  -1.300   9.164
   23    HG3  ARG   3           HG1      ARG   3  26.629  -2.681   8.107
   24    HD2  ARG   3           HD2      ARG   3  24.444  -3.123   7.635
   25    HD3  ARG   3           HD1      ARG   3  24.077  -3.280   9.412
   26    HE   ARG   3           HE       ARG   3  24.315  -0.488   8.389
   27   HH11  ARG   3          HH11      ARG   3  22.251  -3.279   9.198
   28   HH12  ARG   3          HH12      ARG   3  20.797  -2.351   9.359
   29   HH21  ARG   3          HH21      ARG   3  22.339   0.770   8.607
   30   HH22  ARG   3          HH22      ARG   3  20.848  -0.012   9.016
   31    H    LEU   4           HN       LEU   4  28.142  -6.639   9.810
   32    HA   LEU   4           HA       LEU   4  25.784  -7.449   8.279
   33    HB2  LEU   4           HB2      LEU   4  28.394  -8.981   8.679
   34    HB3  LEU   4           HB1      LEU   4  27.128  -9.272   7.420
   35    HG   LEU   4           HG       LEU   4  28.925  -6.859   7.732
   36   HD11  LEU   4          HD11      LEU   4  30.117  -8.847   6.833
   37   HD12  LEU   4          HD12      LEU   4  29.955  -7.575   5.564
   38   HD13  LEU   4          HD13      LEU   4  28.878  -9.022   5.533
   39   HD21  LEU   4          HD21      LEU   4  27.918  -5.940   5.660
   40   HD22  LEU   4          HD22      LEU   4  26.623  -6.234   6.885
   41   HD23  LEU   4          HD23      LEU   4  26.845  -7.382   5.510
   42    H    SER   5           HN       SER   5  27.391  -7.556  11.344
   43    HA   SER   5           HA       SER   5  26.361 -10.166  11.921
   44    HB2  SER   5           HB2      SER   5  27.079  -9.807  14.255
   45    HB3  SER   5           HB1      SER   5  28.429  -9.488  13.095
   46    HG   SER   5           HG       SER   5  26.907  -7.722  14.658
   47    H    DAB   6           HN       DAB   6  25.180  -7.278  11.340
   48    HA   DAB   6           HA       DAB   6  23.069  -7.073  13.176
   49    HB2  DAB   6           HB1      DAB   6  23.374  -5.927  10.362
   50    HB3  DAB   6           HB2      DAB   6  24.288  -5.211  11.736
   51    HG2  DAB   6           HG2      DAB   6  22.423  -4.297  12.707
   52    HG3  DAB   6           HG1      DAB   6  21.946  -4.232  10.979
   53    H    PHE   7           HN       PHE   7  24.012  -8.017   9.987
   54    HA   PHE   7           HA       PHE   7  21.487  -8.663   9.043
   55    HB2  PHE   7           HB2      PHE   7  24.316  -9.397   8.308
   56    HB3  PHE   7           HB1      PHE   7  22.949 -10.180   7.495
   57    HD1  PHE   7           HD1      PHE   7  23.666  -6.673   8.515
   58    HD2  PHE   7           HD2      PHE   7  22.847  -9.374   5.355
   59    HE1  PHE   7           HE1      PHE   7  23.638  -4.828   6.932
   60    HE2  PHE   7           HE2      PHE   7  22.804  -7.523   3.783
   61    HZ   PHE   7           HZ       PHE   7  23.195  -5.279   4.601
   62    H    PHE   8           HN       PHE   8  23.793 -10.187  11.255
   63    HA   PHE   8           HA       PHE   8  22.319 -12.647  10.634
   64    HB2  PHE   8           HB2      PHE   8  24.864 -12.256  12.359
   65    HB3  PHE   8           HB1      PHE   8  24.206 -13.864  11.737
   66    HD1  PHE   8           HD1      PHE   8  26.848 -11.985  10.974
   67    HD2  PHE   8           HD2      PHE   8  23.120 -13.000   9.240
   68    HE1  PHE   8           HE1      PHE   8  27.543 -11.058   8.819
   69    HE2  PHE   8           HE2      PHE   8  23.659 -12.052   7.256
   70    HZ   PHE   8           HZ       PHE   8  25.991 -11.155   6.869
   71    H    ARG   9           HN       ARG   9  21.157 -10.501  11.432
   72    HA   ARG   9           HA       ARG   9  19.630 -11.633  13.522
   73    HB2  ARG   9           HB2      ARG   9  19.992  -8.724  13.869
   74    HB3  ARG   9           HB1      ARG   9  19.706  -9.999  15.102
   75    HG2  ARG   9           HG2      ARG   9  21.985 -10.513  15.314
   76    HG3  ARG   9           HG1      ARG   9  22.393  -9.905  13.662
   77    HD2  ARG   9           HD2      ARG   9  23.072  -8.016  14.712
   78    HD3  ARG   9           HD1      ARG   9  21.298  -7.677  14.852
   79    HE   ARG   9           HE       ARG   9  21.414  -8.153  17.171
   80   HH11  ARG   9          HH11      ARG   9  24.350  -9.277  15.486
   81   HH12  ARG   9          HH12      ARG   9  25.228  -9.632  16.939
   82   HH21  ARG   9          HH21      ARG   9  22.609  -8.636  19.138
   83   HH22  ARG   9          HH22      ARG   9  24.221  -9.262  19.048
   84    H    GLN  10           HN       GLN  10  20.234  -9.685  10.622
   85    HA   GLN  10           HA       GLN  10  17.363  -9.518  10.301
   86    HB2  GLN  10           HB2      GLN  10  18.706  -7.013   9.362
   87    HB3  GLN  10           HB1      GLN  10  17.130  -7.201  10.195
   88    HG2  GLN  10           HG2      GLN  10  18.021  -6.457  12.162
   89    HG3  GLN  10           HG1      GLN  10  19.290  -7.730  12.123
   90   HE21  GLN  10          HE21      GLN  10  20.993  -6.421  12.866
   91    H    PHE  11           HN       PHE  11  16.990  -8.373   7.967
   92    HA   PHE  11           HA       PHE  11  17.360  -8.322   5.811
   93    HB2  PHE  11           HB2      PHE  11  20.312  -9.057   6.397
   94    HB3  PHE  11           HB1      PHE  11  19.655  -8.586   4.771
   95    HD1  PHE  11           HD1      PHE  11  21.013  -7.494   7.780
   96    HD2  PHE  11           HD2      PHE  11  18.416  -6.362   4.658
   97    HE1  PHE  11           HE1      PHE  11  21.285  -5.166   8.429
   98    HE2  PHE  11           HE2      PHE  11  18.685  -4.021   5.268
   99    HZ   PHE  11           HZ       PHE  11  20.128  -3.394   7.162
  100    H    ILE  12           HN       ILE  12  19.664 -10.957   6.685
  101    HA   ILE  12           HA       ILE  12  18.473 -12.682   4.743
  102    HB   ILE  12           HB       ILE  12  20.367 -13.329   7.064
  103   HG12  ILE  12          HG12      ILE  12  22.060 -13.312   5.030
  104   HG13  ILE  12          HG11      ILE  12  20.833 -12.272   4.220
  105   HG21  ILE  12          HG21      ILE  12  20.930 -15.201   5.187
  106   HG22  ILE  12          HG22      ILE  12  19.245 -14.848   4.647
  107   HG23  ILE  12          HG23      ILE  12  19.552 -15.414   6.332
  108   HD11  ILE  12          HD11      ILE  12  22.813 -11.268   5.801
  109   HD12  ILE  12          HD12      ILE  12  21.545 -11.528   7.080
  110   HD13  ILE  12          HD13      ILE  12  21.209 -10.477   5.634
  111    H    LEU  13           HN       LEU  13  18.543 -12.251   8.265
  112    HA   LEU  13           HA       LEU  13  17.071 -14.658   8.602
  113    HB2  LEU  13           HB2      LEU  13  17.560 -12.610  10.774
  114    HB3  LEU  13           HB1      LEU  13  17.412 -14.395  10.925
  115    HG   LEU  13           HG       LEU  13  19.734 -12.724   9.856
  116   HD11  LEU  13          HD11      LEU  13  20.974 -14.013  11.639
  117   HD12  LEU  13          HD12      LEU  13  19.443 -14.851  12.084
  118   HD13  LEU  13          HD13      LEU  13  19.585 -13.069  12.296
  119   HD21  LEU  13          HD21      LEU  13  19.039 -15.162   8.618
  120   HD22  LEU  13          HD22      LEU  13  20.192 -15.693   9.893
  121   HD23  LEU  13          HD23      LEU  13  20.696 -14.447   8.689
  122    H    GLN  14           HN       GLN  14  16.567 -11.121   9.249
  123    HA   GLN  14           HA       GLN  14  13.688 -11.766   9.288
  124    HB2  GLN  14           HB2      GLN  14  15.105  -9.342  10.538
  125    HB3  GLN  14           HB1      GLN  14  13.333  -9.658  10.574
  126    HG2  GLN  14           HG2      GLN  14  13.786 -11.803  11.874
  127    HG3  GLN  14           HG1      GLN  14  15.536 -11.342  11.941
  128   HE21  GLN  14          HE21      GLN  14  16.196  -9.999  13.575
  129   HE22  GLN  14          HE22      GLN  14  15.143  -9.067  14.590
  130    H    ARG  15           HN       ARG  15  12.284 -10.579   7.935
  131    HA   ARG  15           HA       ARG  15  13.463  -8.386   6.472
  132    HB2  ARG  15           HB2      ARG  15  12.950  -9.273   4.249
  133    HB3  ARG  15           HB1      ARG  15  14.022 -10.451   5.082
  134    HG2  ARG  15           HG2      ARG  15  11.896 -11.724   5.788
  135    HG3  ARG  15           HG1      ARG  15  10.979 -10.644   4.684
  136    HD2  ARG  15           HD2      ARG  15  11.473 -12.678   3.423
  137    HD3  ARG  15           HD1      ARG  15  12.615 -11.411   2.797
  138    HE   ARG  15           HE       ARG  15  14.416 -12.588   3.795
  139   HH11  ARG  15          HH11      ARG  15  11.266 -13.845   4.903
  140   HH12  ARG  15          HH12      ARG  15  11.932 -15.210   5.735
  141   HH21  ARG  15          HH21      ARG  15  15.317 -14.441   4.942
  142   HH22  ARG  15          HH22      ARG  15  14.269 -15.553   5.756
  143    H    LYS  16           HN       LYS  16  11.733  -7.203   5.220
  144    HA   LYS  16           HA       LYS  16   9.310  -7.344   6.779
  145    HB2  LYS  16           HB2      LYS  16   8.683  -5.345   5.172
  146    HB3  LYS  16           HB1      LYS  16   9.886  -5.075   6.477
  147    HG2  LYS  16           HG2      LYS  16  10.986  -6.045   3.838
  148    HG3  LYS  16           HG1      LYS  16  10.284  -4.393   3.847
  149    HD2  LYS  16           HD2      LYS  16  12.304  -5.282   5.981
  150    HD3  LYS  16           HD1      LYS  16  12.839  -4.682   4.373
  151    HE2  LYS  16           HE2      LYS  16  11.568  -2.528   4.775
  152    HE3  LYS  16           HE1      LYS  16  11.109  -3.135   6.422
  153    HZ1  LYS  16           HZ1      LYS  16  13.834  -2.588   5.373
  154    HZ2  LYS  16           HZ2      LYS  16  13.523  -3.377   6.844
  155    HZ3  LYS  16           HZ3      LYS  16  13.002  -1.778   6.610
  156    H    LYS  17           HN       LYS  17  10.553  -8.591   3.846
  157    HA   LYS  17           HA       LYS  17   8.166  -8.497   2.340
  158    HB2  LYS  17           HB2      LYS  17  10.404 -10.597   2.150
  159    HB3  LYS  17           HB1      LYS  17   9.180 -10.224   0.887
  160    HG2  LYS  17           HG2      LYS  17  11.352  -8.288   1.904
  161    HG3  LYS  17           HG1      LYS  17  11.419  -9.233   0.377
  162    HD2  LYS  17           HD2      LYS  17   9.336  -8.056  -0.416
  163    HD3  LYS  17           HD1      LYS  17   9.327  -7.083   1.096
  164    HE2  LYS  17           HE2      LYS  17  11.571  -6.118   0.491
  165    HE3  LYS  17           HE1      LYS  17  11.568  -7.093  -1.038
  166    HZ1  LYS  17           HZ1      LYS  17   9.918  -5.835  -1.918
  167    HZ2  LYS  17           HZ2      LYS  17  10.724  -4.663  -0.991
  168    HZ3  LYS  17           HZ3      LYS  17   9.279  -5.350  -0.421
  Start of MODEL    9
    1    H1   GLU   1           HT1      GLU   1  32.499   0.403  10.190
    2    H2   GLU   1           HT2      GLU   1  31.014   0.182   9.396
    3    H3   GLU   1           HT3      GLU   1  31.941   1.572   9.092
    4    HA   GLU   1           HA       GLU   1  32.764   0.536   7.367
    5    HB2  GLU   1           HB2      GLU   1  33.979  -1.159   9.618
    6    HB3  GLU   1           HB1      GLU   1  34.500  -1.311   7.903
    7    HG2  GLU   1           HG2      GLU   1  35.273   1.037   7.856
    8    HG3  GLU   1           HG1      GLU   1  34.611   1.327   9.514
    9    H    MET   2           HN       MET   2  31.633  -2.015   9.698
   10    HA   MET   2           HA       MET   2  30.372  -3.299   7.385
   11    HB2  MET   2           HB2      MET   2  31.877  -4.694   9.674
   12    HB3  MET   2           HB1      MET   2  30.771  -5.543   8.539
   13    HG2  MET   2           HG2      MET   2  32.259  -4.709   6.620
   14    HG3  MET   2           HG1      MET   2  33.410  -4.110   7.855
   15    HE1  MET   2           HE1      MET   2  33.486  -6.420  10.198
   16    HE2  MET   2           HE2      MET   2  34.571  -5.205   9.436
   17    HE3  MET   2           HE3      MET   2  35.060  -6.933   9.497
   18    H    ARG   3           HN       ARG   3  28.390  -4.395   7.903
   19    HA   ARG   3           HA       ARG   3  27.598  -3.998  10.659
   20    HB2  ARG   3           HB2      ARG   3  25.408  -3.261  10.165
   21    HB3  ARG   3           HB1      ARG   3  26.456  -2.252   9.112
   22    HG2  ARG   3           HG2      ARG   3  24.835  -4.732   8.288
   23    HG3  ARG   3           HG1      ARG   3  24.446  -3.022   7.905
   24    HD2  ARG   3           HD2      ARG   3  27.000  -3.158   6.842
   25    HD3  ARG   3           HD1      ARG   3  26.459  -4.884   6.614
   26    HE   ARG   3           HE       ARG   3  24.367  -3.028   5.795
   27   HH11  ARG   3          HH11      ARG   3  27.510  -4.433   4.885
   28   HH12  ARG   3          HH12      ARG   3  27.274  -4.245   3.179
   29   HH21  ARG   3          HH21      ARG   3  24.047  -2.767   3.478
   30   HH22  ARG   3          HH22      ARG   3  25.271  -3.280   2.367
   31    H    LEU   4           HN       LEU   4  27.546  -5.864  11.510
   32    HA   LEU   4           HA       LEU   4  26.132  -7.846   9.920
   33    HB2  LEU   4           HB2      LEU   4  28.770  -8.154  11.434
   34    HB3  LEU   4           HB1      LEU   4  27.746  -9.578  10.974
   35    HG   LEU   4           HG       LEU   4  28.497  -7.384   9.082
   36   HD11  LEU   4          HD11      LEU   4  30.243  -9.002   8.100
   37   HD12  LEU   4          HD12      LEU   4  30.004 -10.035   9.560
   38   HD13  LEU   4          HD13      LEU   4  30.649  -8.359   9.737
   39   HD21  LEU   4          HD21      LEU   4  27.141 -10.075   8.758
   40   HD22  LEU   4          HD22      LEU   4  28.036  -9.347   7.369
   41   HD23  LEU   4          HD23      LEU   4  26.668  -8.444   8.135
   42    H    SER   5           HN       SER   5  24.568  -6.780  11.177
   43    HA   SER   5           HA       SER   5  23.947  -8.466  13.406
   44    HB2  SER   5           HB2      SER   5  23.149  -6.552  14.835
   45    HB3  SER   5           HB1      SER   5  24.948  -6.710  14.721
   46    HG   SER   5           HG       SER   5  24.040  -4.560  14.418
   47    H    DAB   6           HN       DAB   6  23.331  -6.015  11.121
   48    HA   DAB   6           HA       DAB   6  20.606  -5.831  11.060
   49    HB2  DAB   6           HB1      DAB   6  22.598  -5.887   8.723
   50    HB3  DAB   6           HB2      DAB   6  22.428  -4.441   9.802
   51    HG2  DAB   6           HG2      DAB   6  19.858  -4.641   9.215
   52    HG3  DAB   6           HG1      DAB   6  20.990  -3.874   8.048
   53    H    PHE   7           HN       PHE   7  23.069  -7.859   9.926
   54    HA   PHE   7           HA       PHE   7  21.639  -9.329   8.074
   55    HB2  PHE   7           HB2      PHE   7  24.108  -9.590   9.776
   56    HB3  PHE   7           HB1      PHE   7  23.537 -11.014   8.824
   57    HD1  PHE   7           HD1      PHE   7  23.973  -7.354   8.220
   58    HD2  PHE   7           HD2      PHE   7  24.734 -11.318   6.926
   59    HE1  PHE   7           HE1      PHE   7  25.121  -6.506   6.248
   60    HE2  PHE   7           HE2      PHE   7  25.869 -10.465   4.963
   61    HZ   PHE   7           HZ       PHE   7  26.039  -8.079   4.661
   62    H    PHE   8           HN       PHE   8  21.752  -9.203  11.579
   63    HA   PHE   8           HA       PHE   8  20.692 -11.917  11.524
   64    HB2  PHE   8           HB2      PHE   8  21.976 -10.279  13.827
   65    HB3  PHE   8           HB1      PHE   8  21.549 -12.081  13.893
   66    HD1  PHE   8           HD1      PHE   8  24.337 -10.171  13.482
   67    HD2  PHE   8           HD2      PHE   8  22.019 -12.976  11.337
   68    HE1  PHE   8           HE1      PHE   8  26.057 -10.312  11.763
   69    HE2  PHE   8           HE2      PHE   8  23.618 -13.102   9.663
   70    HZ   PHE   8           HZ       PHE   8  25.779 -11.873   9.866
   71    H    ARG   9           HN       ARG   9  19.553  -9.929  10.439
   72    HA   ARG   9           HA       ARG   9  17.016 -10.144  11.661
   73    HB2  ARG   9           HB2      ARG   9  16.921  -7.435  10.842
   74    HB3  ARG   9           HB1      ARG   9  16.841  -8.024  12.535
   75    HG2  ARG   9           HG2      ARG   9  19.627  -7.920  11.624
   76    HG3  ARG   9           HG1      ARG   9  18.809  -6.352  11.326
   77    HD2  ARG   9           HD2      ARG   9  18.822  -7.849  14.014
   78    HD3  ARG   9           HD1      ARG   9  19.971  -6.501  13.552
   79    HE   ARG   9           HE       ARG   9  17.348  -5.508  13.085
   80   HH11  ARG   9          HH11      ARG   9  19.270  -6.803  15.787
   81   HH12  ARG   9          HH12      ARG   9  18.486  -5.855  17.005
   82   HH21  ARG   9          HH21      ARG   9  16.278  -4.213  14.740
   83   HH22  ARG   9          HH22      ARG   9  16.755  -4.357  16.399
   84    H    GLN  10           HN       GLN  10  19.339  -9.686   9.001
   85    HA   GLN  10           HA       GLN  10  17.207 -10.420   7.247
   86    HB2  GLN  10           HB2      GLN  10  17.425  -8.696   5.583
   87    HB3  GLN  10           HB1      GLN  10  17.094  -7.864   7.144
   88    HG2  GLN  10           HG2      GLN  10  19.996  -8.276   6.503
   89    HG3  GLN  10           HG1      GLN  10  19.122  -7.192   5.364
   90   HE21  GLN  10          HE21      GLN  10  21.175  -6.164   6.895
   91    H    PHE  11           HN       PHE  11  18.186 -10.571   4.869
   92    HA   PHE  11           HA       PHE  11  19.767 -11.258   3.513
   93    HB2  PHE  11           HB2      PHE  11  21.857 -11.102   5.815
   94    HB3  PHE  11           HB1      PHE  11  22.226 -11.439   4.073
   95    HD1  PHE  11           HD1      PHE  11  22.361  -9.081   6.425
   96    HD2  PHE  11           HD2      PHE  11  20.917  -9.624   2.500
   97    HE1  PHE  11           HE1      PHE  11  22.493  -6.676   6.061
   98    HE2  PHE  11           HE2      PHE  11  21.056  -7.229   2.103
   99    HZ   PHE  11           HZ       PHE  11  21.854  -5.723   3.882
  100    H    ILE  12           HN       ILE  12  20.971 -12.683   6.608
  101    HA   ILE  12           HA       ILE  12  20.923 -15.298   5.453
  102    HB   ILE  12           HB       ILE  12  21.137 -14.434   8.383
  103   HG12  ILE  12          HG12      ILE  12  23.657 -15.040   7.851
  104   HG13  ILE  12          HG11      ILE  12  23.200 -14.752   6.132
  105   HG21  ILE  12          HG21      ILE  12  21.359 -17.084   6.859
  106   HG22  ILE  12          HG22      ILE  12  20.644 -16.733   8.479
  107   HG23  ILE  12          HG23      ILE  12  22.436 -16.816   8.282
  108   HD11  ILE  12          HD11      ILE  12  23.018 -12.470   6.427
  109   HD12  ILE  12          HD12      ILE  12  24.070 -12.782   7.850
  110   HD13  ILE  12          HD13      ILE  12  22.272 -12.634   8.077
  111    H    LEU  13           HN       LEU  13  19.062 -13.368   7.795
  112    HA   LEU  13           HA       LEU  13  17.418 -15.603   8.352
  113    HB2  LEU  13           HB2      LEU  13  16.748 -12.735   9.109
  114    HB3  LEU  13           HB1      LEU  13  16.325 -14.253   9.975
  115    HG   LEU  13           HG       LEU  13  19.029 -12.845   9.760
  116   HD11  LEU  13          HD11      LEU  13  17.213 -13.672  12.128
  117   HD12  LEU  13          HD12      LEU  13  17.467 -12.010  11.486
  118   HD13  LEU  13          HD13      LEU  13  18.827 -12.888  12.284
  119   HD21  LEU  13          HD21      LEU  13  18.602 -15.748   9.996
  120   HD22  LEU  13          HD22      LEU  13  19.263 -15.114  11.547
  121   HD23  LEU  13          HD23      LEU  13  20.147 -14.813  10.006
  122    H    GLN  14           HN       GLN  14  16.427 -12.245   7.408
  123    HA   GLN  14           HA       GLN  14  15.316 -13.038   4.974
  124    HB2  GLN  14           HB2      GLN  14  13.688 -14.305   6.522
  125    HB3  GLN  14           HB1      GLN  14  13.186 -12.712   7.176
  126    HG2  GLN  14           HG2      GLN  14  12.444 -12.003   4.867
  127    HG3  GLN  14           HG1      GLN  14  12.940 -13.621   4.226
  128   HE21  GLN  14          HE21      GLN  14  11.271 -15.034   4.045
  129   HE22  GLN  14          HE22      GLN  14   9.888 -15.116   5.082
  130    H    ARG  15           HN       ARG  15  13.199 -11.075   7.010
  131    HA   ARG  15           HA       ARG  15  14.661  -8.677   6.226
  132    HB2  ARG  15           HB2      ARG  15  11.665  -9.178   5.718
  133    HB3  ARG  15           HB1      ARG  15  12.459  -7.568   5.605
  134    HG2  ARG  15           HG2      ARG  15  14.016  -8.579   3.823
  135    HG3  ARG  15           HG1      ARG  15  12.960 -10.033   3.837
  136    HD2  ARG  15           HD2      ARG  15  11.985  -7.154   3.228
  137    HD3  ARG  15           HD1      ARG  15  12.331  -8.432   1.984
  138    HE   ARG  15           HE       ARG  15  10.022  -8.360   3.867
  139   HH11  ARG  15          HH11      ARG  15  12.016 -10.187   1.539
  140   HH12  ARG  15          HH12      ARG  15  10.798 -11.369   1.195
  141   HH21  ARG  15          HH21      ARG  15   8.375  -9.969   3.397
  142   HH22  ARG  15          HH22      ARG  15   8.695 -11.243   2.268
  143    H    LYS  16           HN       LYS  16  13.890  -6.765   7.515
  144    HA   LYS  16           HA       LYS  16  13.317  -7.671  10.180
  145    HB2  LYS  16           HB2      LYS  16  13.258  -4.729   9.534
  146    HB3  LYS  16           HB1      LYS  16  14.047  -5.577  10.910
  147    HG2  LYS  16           HG2      LYS  16  15.944  -4.950   9.758
  148    HG3  LYS  16           HG1      LYS  16  15.639  -6.525   8.948
  149    HD2  LYS  16           HD2      LYS  16  15.622  -5.421   6.974
  150    HD3  LYS  16           HD1      LYS  16  14.069  -4.670   7.478
  151    HE2  LYS  16           HE2      LYS  16  15.504  -2.824   6.868
  152    HE3  LYS  16           HE1      LYS  16  15.530  -2.850   8.681
  153    HZ1  LYS  16           HZ1      LYS  16  17.540  -4.545   7.921
  154    HZ2  LYS  16           HZ2      LYS  16  17.697  -2.939   8.467
  155    HZ3  LYS  16           HZ3      LYS  16  17.637  -3.265   6.802
  156    H    LYS  17           HN       LYS  17  11.642  -6.610   7.385
  157    HA   LYS  17           HA       LYS  17   9.420  -5.523   8.871
  158    HB2  LYS  17           HB2      LYS  17  10.056  -5.969   5.925
  159    HB3  LYS  17           HB1      LYS  17   8.334  -5.805   6.415
  160    HG2  LYS  17           HG2      LYS  17  10.516  -3.747   7.111
  161    HG3  LYS  17           HG1      LYS  17   9.473  -3.648   5.652
  162    HD2  LYS  17           HD2      LYS  17   8.387  -3.774   8.533
  163    HD3  LYS  17           HD1      LYS  17   8.713  -2.245   7.650
  164    HE2  LYS  17           HE2      LYS  17   7.079  -2.976   5.845
  165    HE3  LYS  17           HE1      LYS  17   6.700  -4.448   6.835
  166    HZ1  LYS  17           HZ1      LYS  17   5.836  -1.739   7.146
  167    HZ2  LYS  17           HZ2      LYS  17   6.476  -2.376   8.584
  168    HZ3  LYS  17           HZ3      LYS  17   5.207  -3.178   7.790
  Start of MODEL   10
    1    H1   GLU   1           HT1      GLU   1  33.657  -0.441   9.667
    2    H2   GLU   1           HT2      GLU   1  31.992  -0.121   9.784
    3    H3   GLU   1           HT3      GLU   1  33.106   1.161   9.790
    4    HA   GLU   1           HA       GLU   1  32.535   1.317   7.664
    5    HB2  GLU   1           HB2      GLU   1  34.939   0.671   7.645
    6    HB3  GLU   1           HB1      GLU   1  34.478  -1.065   7.642
    7    HG2  GLU   1           HG2      GLU   1  35.152  -0.393   5.360
    8    HG3  GLU   1           HG1      GLU   1  33.379  -0.742   5.366
    9    H    MET   2           HN       MET   2  32.203  -2.079   8.808
   10    HA   MET   2           HA       MET   2  29.994  -2.310   6.898
   11    HB2  MET   2           HB2      MET   2  32.009  -4.510   7.646
   12    HB3  MET   2           HB1      MET   2  30.481  -4.793   6.739
   13    HG2  MET   2           HG2      MET   2  31.282  -3.292   4.911
   14    HG3  MET   2           HG1      MET   2  32.800  -2.989   5.814
   15    HE1  MET   2           HE1      MET   2  32.586  -3.919   2.801
   16    HE2  MET   2           HE2      MET   2  34.003  -5.025   2.768
   17    HE3  MET   2           HE3      MET   2  34.072  -3.504   3.723
   18    H    ARG   3           HN       ARG   3  28.249  -3.649   7.622
   19    HA   ARG   3           HA       ARG   3  28.445  -4.381  10.412
   20    HB2  ARG   3           HB2      ARG   3  26.016  -3.635  10.671
   21    HB3  ARG   3           HB1      ARG   3  27.249  -2.316  10.652
   22    HG2  ARG   3           HG2      ARG   3  26.191  -1.361   8.904
   23    HG3  ARG   3           HG1      ARG   3  26.570  -2.819   7.921
   24    HD2  ARG   3           HD2      ARG   3  24.319  -3.173   7.772
   25    HD3  ARG   3           HD1      ARG   3  24.388  -3.634   9.533
   26    HE   ARG   3           HE       ARG   3  24.227  -0.726   9.167
   27   HH11  ARG   3          HH11      ARG   3  22.397  -3.778   9.181
   28   HH12  ARG   3          HH12      ARG   3  20.892  -3.052   9.636
   29   HH21  ARG   3          HH21      ARG   3  22.182   0.263   9.781
   30   HH22  ARG   3          HH22      ARG   3  20.767  -0.715   9.981
   31    H    LEU   4           HN       LEU   4  28.646  -6.421   9.957
   32    HA   LEU   4           HA       LEU   4  26.240  -7.531   8.739
   33    HB2  LEU   4           HB2      LEU   4  29.166  -8.271   8.249
   34    HB3  LEU   4           HB1      LEU   4  27.783  -9.346   7.775
   35    HG   LEU   4           HG       LEU   4  27.947  -6.432   7.123
   36   HD11  LEU   4          HD11      LEU   4  28.481  -7.286   4.678
   37   HD12  LEU   4          HD12      LEU   4  28.992  -8.816   5.490
   38   HD13  LEU   4          HD13      LEU   4  29.824  -7.263   5.883
   39   HD21  LEU   4          HD21      LEU   4  25.708  -6.981   6.928
   40   HD22  LEU   4          HD22      LEU   4  26.046  -8.656   6.337
   41   HD23  LEU   4          HD23      LEU   4  26.279  -7.247   5.233
   42    H    SER   5           HN       SER   5  25.763  -7.416  10.946
   43    HA   SER   5           HA       SER   5  26.164 -10.004  12.083
   44    HB2  SER   5           HB2      SER   5  26.615  -9.132  14.396
   45    HB3  SER   5           HB1      SER   5  28.009  -8.973  13.253
   46    HG   SER   5           HG       SER   5  27.560  -7.077  14.487
   47    H    DAB   6           HN       DAB   6  24.727  -6.955  11.733
   48    HA   DAB   6           HA       DAB   6  22.549  -7.147  13.403
   49    HB2  DAB   6           HB1      DAB   6  22.824  -5.907  10.611
   50    HB3  DAB   6           HB2      DAB   6  23.431  -5.082  12.105
   51    HG2  DAB   6           HG2      DAB   6  20.949  -5.542  12.974
   52    HG3  DAB   6           HG1      DAB   6  21.320  -4.119  11.941
   53    H    PHE   7           HN       PHE   7  23.621  -8.033  10.324
   54    HA   PHE   7           HA       PHE   7  21.278  -8.800   9.119
   55    HB2  PHE   7           HB2      PHE   7  24.225  -9.394   8.898
   56    HB3  PHE   7           HB1      PHE   7  23.055 -10.313   7.876
   57    HD1  PHE   7           HD1      PHE   7  23.606  -6.755   8.877
   58    HD2  PHE   7           HD2      PHE   7  22.939  -9.547   5.757
   59    HE1  PHE   7           HE1      PHE   7  23.626  -4.956   7.239
   60    HE2  PHE   7           HE2      PHE   7  22.957  -7.746   4.134
   61    HZ   PHE   7           HZ       PHE   7  23.295  -5.486   4.907
   62    H    PHE   8           HN       PHE   8  23.307 -10.256  11.603
   63    HA   PHE   8           HA       PHE   8  22.053 -12.776  10.837
   64    HB2  PHE   8           HB2      PHE   8  24.525 -12.165  12.610
   65    HB3  PHE   8           HB1      PHE   8  23.998 -13.851  12.043
   66    HD1  PHE   8           HD1      PHE   8  26.339 -11.526  11.196
   67    HD2  PHE   8           HD2      PHE   8  22.942 -13.418   9.542
   68    HE1  PHE   8           HE1      PHE   8  26.854 -10.600   9.003
   69    HE2  PHE   8           HE2      PHE   8  23.379 -12.509   7.458
   70    HZ   PHE   8           HZ       PHE   8  25.438 -11.161   7.059
   71    H    ARG   9           HN       ARG   9  20.818 -10.628  11.611
   72    HA   ARG   9           HA       ARG   9  19.288 -11.782  13.700
   73    HB2  ARG   9           HB2      ARG   9  19.640  -8.824  13.868
   74    HB3  ARG   9           HB1      ARG   9  19.201 -10.000  15.158
   75    HG2  ARG   9           HG2      ARG   9  21.441 -10.639  15.544
   76    HG3  ARG   9           HG1      ARG   9  21.989 -10.106  13.910
   77    HD2  ARG   9           HD2      ARG   9  22.677  -8.208  14.885
   78    HD3  ARG   9           HD1      ARG   9  20.913  -7.798  15.031
   79    HE   ARG   9           HE       ARG   9  21.648  -9.462  17.261
   80   HH11  ARG   9          HH11      ARG   9  22.203  -6.225  15.888
   81   HH12  ARG   9          HH12      ARG   9  22.485  -5.455  17.413
   82   HH21  ARG   9          HH21      ARG   9  22.029  -8.419  19.339
   83   HH22  ARG   9          HH22      ARG   9  22.383  -6.726  19.411
   84    H    GLN  10           HN       GLN  10  19.839  -9.880  10.741
   85    HA   GLN  10           HA       GLN  10  17.038 -10.138  10.224
   86    HB2  GLN  10           HB2      GLN  10  16.528  -7.843   9.673
   87    HB3  GLN  10           HB1      GLN  10  17.129  -7.857  11.369
   88    HG2  GLN  10           HG2      GLN  10  19.210  -7.451   9.235
   89    HG3  GLN  10           HG1      GLN  10  18.012  -6.121   9.407
   90   HE21  GLN  10          HE21      GLN  10  20.621  -5.541   9.922
   91    H    PHE  11           HN       PHE  11  16.591  -9.037   7.921
   92    HA   PHE  11           HA       PHE  11  17.147  -8.759   5.814
   93    HB2  PHE  11           HB2      PHE  11  20.127  -9.322   6.503
   94    HB3  PHE  11           HB1      PHE  11  19.505  -8.821   4.877
   95    HD1  PHE  11           HD1      PHE  11  21.025  -7.730   7.666
   96    HD2  PHE  11           HD2      PHE  11  17.837  -6.707   5.105
   97    HE1  PHE  11           HE1      PHE  11  21.207  -5.415   8.393
   98    HE2  PHE  11           HE2      PHE  11  18.006  -4.382   5.800
   99    HZ   PHE  11           HZ       PHE  11  19.700  -3.705   7.452
  100    H    ILE  12           HN       ILE  12  19.519 -11.278   6.896
  101    HA   ILE  12           HA       ILE  12  18.529 -13.046   4.853
  102    HB   ILE  12           HB       ILE  12  20.410 -13.602   7.203
  103   HG12  ILE  12          HG12      ILE  12  22.154 -13.451   5.226
  104   HG13  ILE  12          HG11      ILE  12  20.889 -12.491   4.379
  105   HG21  ILE  12          HG21      ILE  12  21.135 -15.408   5.320
  106   HG22  ILE  12          HG22      ILE  12  19.448 -15.149   4.733
  107   HG23  ILE  12          HG23      ILE  12  19.740 -15.722   6.421
  108   HD11  ILE  12          HD11      ILE  12  21.162 -10.664   5.762
  109   HD12  ILE  12          HD12      ILE  12  22.773 -11.399   6.060
  110   HD13  ILE  12          HD13      ILE  12  21.422 -11.681   7.245
  111    H    LEU  13           HN       LEU  13  18.493 -12.655   8.395
  112    HA   LEU  13           HA       LEU  13  17.164 -15.147   8.668
  113    HB2  LEU  13           HB2      LEU  13  17.373 -13.048  10.849
  114    HB3  LEU  13           HB1      LEU  13  17.303 -14.838  11.016
  115    HG   LEU  13           HG       LEU  13  19.607 -13.075  10.060
  116   HD11  LEU  13          HD11      LEU  13  19.235 -15.124  12.351
  117   HD12  LEU  13          HD12      LEU  13  19.368 -13.334  12.493
  118   HD13  LEU  13          HD13      LEU  13  20.791 -14.307  11.953
  119   HD21  LEU  13          HD21      LEU  13  20.477 -14.740   8.777
  120   HD22  LEU  13          HD22      LEU  13  19.033 -15.776   9.089
  121   HD23  LEU  13          HD23      LEU  13  20.456 -15.861  10.188
  122    H    GLN  14           HN       GLN  14  16.358 -11.662   9.284
  123    HA   GLN  14           HA       GLN  14  13.566 -12.452   8.802
  124    HB2  GLN  14           HB2      GLN  14  13.921 -12.183  11.296
  125    HB3  GLN  14           HB1      GLN  14  14.514 -10.514  10.992
  126    HG2  GLN  14           HG2      GLN  14  12.287  -9.852  10.073
  127    HG3  GLN  14           HG1      GLN  14  11.679 -11.543  10.299
  128   HE21  GLN  14          HE21      GLN  14  10.216  -9.709  11.605
  129   HE22  GLN  14          HE22      GLN  14  10.558  -9.678  13.301
  130    H    ARG  15           HN       ARG  15  12.578 -11.179   7.275
  131    HA   ARG  15           HA       ARG  15  13.613  -8.473   6.990
  132    HB2  ARG  15           HB2      ARG  15  13.374  -8.774   4.417
  133    HB3  ARG  15           HB1      ARG  15  14.841  -9.477   5.181
  134    HG2  ARG  15           HG2      ARG  15  13.745 -11.729   5.227
  135    HG3  ARG  15           HG1      ARG  15  12.278 -11.029   4.456
  136    HD2  ARG  15           HD2      ARG  15  13.488 -10.552   2.379
  137    HD3  ARG  15           HD1      ARG  15  15.087 -10.911   3.162
  138    HE   ARG  15           HE       ARG  15  14.623 -13.237   2.994
  139   HH11  ARG  15          HH11      ARG  15  11.758 -11.276   2.158
  140   HH12  ARG  15          HH12      ARG  15  10.875 -12.599   1.468
  141   HH21  ARG  15          HH21      ARG  15  13.416 -15.019   2.057
  142   HH22  ARG  15          HH22      ARG  15  11.831 -14.757   1.410
  143    H    LYS  16           HN       LYS  16  12.020  -6.982   6.471
  144    HA   LYS  16           HA       LYS  16   9.370  -7.862   6.918
  145    HB2  LYS  16           HB2      LYS  16  10.385  -5.186   5.813
  146    HB3  LYS  16           HB1      LYS  16   8.727  -5.498   6.442
  147    HG2  LYS  16           HG2      LYS  16   9.521  -4.737   8.423
  148    HG3  LYS  16           HG1      LYS  16  10.291  -6.353   8.564
  149    HD2  LYS  16           HD2      LYS  16  12.047  -4.810   9.020
  150    HD3  LYS  16           HD1      LYS  16  12.331  -5.337   7.325
  151    HE2  LYS  16           HE2      LYS  16  11.364  -3.238   6.448
  152    HE3  LYS  16           HE1      LYS  16  10.858  -2.730   8.113
  153    HZ1  LYS  16           HZ1      LYS  16  13.089  -2.522   8.752
  154    HZ2  LYS  16           HZ2      LYS  16  12.956  -1.756   7.242
  155    HZ3  LYS  16           HZ3      LYS  16  13.674  -3.290   7.355
  156    H    LYS  17           HN       LYS  17  11.325  -6.892   4.152
  157    HA   LYS  17           HA       LYS  17   9.148  -6.966   2.328
  158    HB2  LYS  17           HB2      LYS  17  12.178  -7.174   1.836
  159    HB3  LYS  17           HB1      LYS  17  10.946  -7.023   0.533
  160    HG2  LYS  17           HG2      LYS  17  10.191  -4.827   1.586
  161    HG3  LYS  17           HG1      LYS  17  11.568  -4.962   2.734
  162    HD2  LYS  17           HD2      LYS  17  11.877  -4.951  -0.330
  163    HD3  LYS  17           HD1      LYS  17  11.983  -3.480   0.695
  164    HE2  LYS  17           HE2      LYS  17  13.915  -4.523   1.958
  165    HE3  LYS  17           HE1      LYS  17  13.830  -5.959   0.853
  166    HZ1  LYS  17           HZ1      LYS  17  14.264  -3.143  -0.003
  167    HZ2  LYS  17           HZ2      LYS  17  14.265  -4.521  -0.995
  168    HZ3  LYS  17           HZ3      LYS  17  15.471  -4.321   0.184
  Start of MODEL   11
    1    H1   GLU   1           HT1      GLU   1  32.794  -1.495  11.272
    2    H2   GLU   1           HT2      GLU   1  34.126  -0.446  11.387
    3    H3   GLU   1           HT3      GLU   1  34.261  -2.051  11.927
    4    HA   GLU   1           HA       GLU   1  34.489  -0.954   9.291
    5    HB2  GLU   1           HB2      GLU   1  35.355  -3.538  10.700
    6    HB3  GLU   1           HB1      GLU   1  35.740  -3.199   8.975
    7    HG2  GLU   1           HG2      GLU   1  37.061  -1.200   9.595
    8    HG3  GLU   1           HG1      GLU   1  36.578  -1.373  11.328
    9    H    MET   2           HN       MET   2  32.746  -3.710  10.863
   10    HA   MET   2           HA       MET   2  31.216  -3.916   8.373
   11    HB2  MET   2           HB2      MET   2  32.172  -6.265  10.112
   12    HB3  MET   2           HB1      MET   2  30.997  -6.397   8.758
   13    HG2  MET   2           HG2      MET   2  32.740  -5.616   7.154
   14    HG3  MET   2           HG1      MET   2  33.916  -5.455   8.496
   15    HE1  MET   2           HE1      MET   2  35.648  -6.798   7.283
   16    HE2  MET   2           HE2      MET   2  34.525  -6.933   5.886
   17    HE3  MET   2           HE3      MET   2  35.383  -8.392   6.494
   18    H    ARG   3           HN       ARG   3  29.042  -4.586   8.650
   19    HA   ARG   3           HA       ARG   3  28.217  -4.458  11.426
   20    HB2  ARG   3           HB2      ARG   3  25.998  -3.559  10.036
   21    HB3  ARG   3           HB1      ARG   3  27.143  -2.502  10.936
   22    HG2  ARG   3           HG2      ARG   3  27.065  -1.497   8.822
   23    HG3  ARG   3           HG1      ARG   3  28.559  -2.486   8.768
   24    HD2  ARG   3           HD2      ARG   3  27.411  -4.260   7.463
   25    HD3  ARG   3           HD1      ARG   3  25.830  -3.368   7.604
   26    HE   ARG   3           HE       ARG   3  27.834  -1.603   6.485
   27   HH11  ARG   3          HH11      ARG   3  25.835  -4.457   5.744
   28   HH12  ARG   3          HH12      ARG   3  25.799  -4.177   4.036
   29   HH21  ARG   3          HH21      ARG   3  27.781  -1.223   4.165
   30   HH22  ARG   3          HH22      ARG   3  26.924  -2.309   3.124
   31    H    LEU   4           HN       LEU   4  28.193  -6.513  11.644
   32    HA   LEU   4           HA       LEU   4  26.320  -7.878   9.868
   33    HB2  LEU   4           HB2      LEU   4  28.792  -8.872  11.359
   34    HB3  LEU   4           HB1      LEU   4  27.601  -9.985  10.561
   35    HG   LEU   4           HG       LEU   4  28.811  -7.591   9.232
   36   HD11  LEU   4          HD11      LEU   4  29.840 -10.502   9.180
   37   HD12  LEU   4          HD12      LEU   4  30.739  -9.020   9.687
   38   HD13  LEU   4          HD13      LEU   4  30.316  -9.269   7.950
   39   HD21  LEU   4          HD21      LEU   4  26.925  -8.075   8.000
   40   HD22  LEU   4          HD22      LEU   4  27.039  -9.856   8.289
   41   HD23  LEU   4          HD23      LEU   4  28.156  -9.060   7.115
   42    H    SER   5           HN       SER   5  24.834  -6.876  11.214
   43    HA   SER   5           HA       SER   5  23.943  -8.781  13.156
   44    HB2  SER   5           HB2      SER   5  23.317  -7.022  14.846
   45    HB3  SER   5           HB1      SER   5  25.091  -7.361  14.740
   46    HG   SER   5           HG       SER   5  24.429  -5.102  14.752
   47    H    DAB   6           HN       DAB   6  23.685  -5.930  11.285
   48    HA   DAB   6           HA       DAB   6  20.998  -5.426  11.189
   49    HB2  DAB   6           HB1      DAB   6  22.877  -5.375   8.781
   50    HB3  DAB   6           HB2      DAB   6  23.198  -4.253  10.151
   51    HG2  DAB   6           HG2      DAB   6  21.323  -2.957   9.746
   52    HG3  DAB   6           HG1      DAB   6  21.734  -3.474   8.072
   53    H    PHE   7           HN       PHE   7  23.243  -7.537   9.797
   54    HA   PHE   7           HA       PHE   7  21.711  -8.569   7.744
   55    HB2  PHE   7           HB2      PHE   7  24.074  -9.340   9.422
   56    HB3  PHE   7           HB1      PHE   7  23.418 -10.489   8.200
   57    HD1  PHE   7           HD1      PHE   7  24.332  -6.887   8.434
   58    HD2  PHE   7           HD2      PHE   7  24.545 -10.483   6.194
   59    HE1  PHE   7           HE1      PHE   7  25.653  -5.765   6.735
   60    HE2  PHE   7           HE2      PHE   7  25.856  -9.348   4.498
   61    HZ   PHE   7           HZ       PHE   7  26.386  -7.007   4.796
   62    H    PHE   8           HN       PHE   8  21.709  -8.961  11.225
   63    HA   PHE   8           HA       PHE   8  20.349 -11.488  10.706
   64    HB2  PHE   8           HB2      PHE   8  21.743 -10.425  13.269
   65    HB3  PHE   8           HB1      PHE   8  21.119 -12.153  13.016
   66    HD1  PHE   8           HD1      PHE   8  24.115 -10.547  12.994
   67    HD2  PHE   8           HD2      PHE   8  21.565 -12.619  10.335
   68    HE1  PHE   8           HE1      PHE   8  25.867 -10.581  11.298
   69    HE2  PHE   8           HE2      PHE   8  23.185 -12.613   8.677
   70    HZ   PHE   8           HZ       PHE   8  25.473 -11.721   9.139
   71    H    ARG   9           HN       ARG   9  19.468  -9.236   9.956
   72    HA   ARG   9           HA       ARG   9  16.893  -9.336  11.114
   73    HB2  ARG   9           HB2      ARG   9  17.105  -6.546  10.836
   74    HB3  ARG   9           HB1      ARG   9  17.000  -7.426  12.396
   75    HG2  ARG   9           HG2      ARG   9  19.760  -7.453  11.428
   76    HG3  ARG   9           HG1      ARG   9  19.121  -5.778  11.415
   77    HD2  ARG   9           HD2      ARG   9  18.957  -7.689  13.819
   78    HD3  ARG   9           HD1      ARG   9  20.272  -6.441  13.564
   79    HE   ARG   9           HE       ARG   9  17.850  -5.018  13.314
   80   HH11  ARG   9          HH11      ARG   9  19.388  -7.132  15.732
   81   HH12  ARG   9          HH12      ARG   9  18.685  -6.338  17.102
   82   HH21  ARG   9          HH21      ARG   9  16.894  -3.935  15.176
   83   HH22  ARG   9          HH22      ARG   9  17.242  -4.489  16.779
   84    H    GLN  10           HN       GLN  10  19.340  -8.600   8.622
   85    HA   GLN  10           HA       GLN  10  17.180  -8.616   6.709
   86    HB2  GLN  10           HB2      GLN  10  19.142  -6.542   5.902
   87    HB3  GLN  10           HB1      GLN  10  17.351  -6.461   5.877
   88    HG2  GLN  10           HG2      GLN  10  17.386  -5.001   7.623
   89    HG3  GLN  10           HG1      GLN  10  18.184  -6.235   8.659
   90   HE21  GLN  10          HE21      GLN  10  19.547  -4.764   9.739
   91    H    PHE  11           HN       PHE  11  18.557  -8.144   4.374
   92    HA   PHE  11           HA       PHE  11  20.073  -8.894   2.981
   93    HB2  PHE  11           HB2      PHE  11  21.874  -9.487   5.439
   94    HB3  PHE  11           HB1      PHE  11  22.412  -9.570   3.706
   95    HD1  PHE  11           HD1      PHE  11  22.430  -7.621   6.478
   96    HD2  PHE  11           HD2      PHE  11  21.625  -7.385   2.346
   97    HE1  PHE  11           HE1      PHE  11  22.823  -5.233   6.564
   98    HE2  PHE  11           HE2      PHE  11  22.051  -4.989   2.395
   99    HZ   PHE  11           HZ       PHE  11  22.660  -3.884   4.508
  100    H    ILE  12           HN       ILE  12  20.645 -11.155   5.751
  101    HA   ILE  12           HA       ILE  12  20.356 -13.386   3.951
  102    HB   ILE  12           HB       ILE  12  20.498 -13.317   7.012
  103   HG12  ILE  12          HG12      ILE  12  22.960 -14.061   6.458
  104   HG13  ILE  12          HG11      ILE  12  22.668 -13.339   4.835
  105   HG21  ILE  12          HG21      ILE  12  19.725 -15.473   6.462
  106   HG22  ILE  12          HG22      ILE  12  21.505 -15.741   6.339
  107   HG23  ILE  12          HG23      ILE  12  20.526 -15.489   4.844
  108   HD11  ILE  12          HD11      ILE  12  22.680 -11.170   5.646
  109   HD12  ILE  12          HD12      ILE  12  23.629 -11.920   6.973
  110   HD13  ILE  12          HD13      ILE  12  21.852 -11.625   7.195
  111    H    LEU  13           HN       LEU  13  18.731 -11.893   6.749
  112    HA   LEU  13           HA       LEU  13  16.671 -13.825   6.648
  113    HB2  LEU  13           HB2      LEU  13  16.436 -11.159   8.071
  114    HB3  LEU  13           HB1      LEU  13  15.751 -12.753   8.550
  115    HG   LEU  13           HG       LEU  13  18.640 -11.770   8.710
  116   HD11  LEU  13          HD11      LEU  13  18.332 -12.281  11.140
  117   HD12  LEU  13          HD12      LEU  13  16.663 -12.880  10.819
  118   HD13  LEU  13          HD13      LEU  13  17.064 -11.146  10.545
  119   HD21  LEU  13          HD21      LEU  13  17.840 -14.522   8.187
  120   HD22  LEU  13          HD22      LEU  13  18.374 -14.428   9.904
  121   HD23  LEU  13          HD23      LEU  13  19.478 -13.879   8.588
  122    H    GLN  14           HN       GLN  14  17.165 -10.384   5.841
  123    HA   GLN  14           HA       GLN  14  16.226  -9.118   4.264
  124    HB2  GLN  14           HB2      GLN  14  15.839 -11.319   2.896
  125    HB3  GLN  14           HB1      GLN  14  14.169 -11.275   3.563
  126    HG2  GLN  14           HG2      GLN  14  13.809  -9.002   2.559
  127    HG3  GLN  14           HG1      GLN  14  15.488  -9.037   1.883
  128   HE21  GLN  14          HE21      GLN  14  15.742  -9.890  -0.136
  129   HE22  GLN  14          HE22      GLN  14  14.616 -10.927  -0.943
  130    H    ARG  15           HN       ARG  15  13.798 -11.196   6.006
  131    HA   ARG  15           HA       ARG  15  12.503  -8.658   6.739
  132    HB2  ARG  15           HB2      ARG  15  11.152 -11.355   6.118
  133    HB3  ARG  15           HB1      ARG  15  10.311  -9.923   6.809
  134    HG2  ARG  15           HG2      ARG  15  11.041  -8.615   4.719
  135    HG3  ARG  15           HG1      ARG  15  11.597 -10.178   4.027
  136    HD2  ARG  15           HD2      ARG  15   8.699  -9.587   4.959
  137    HD3  ARG  15           HD1      ARG  15   9.275  -9.588   3.235
  138    HE   ARG  15           HE       ARG  15   8.853 -11.966   4.970
  139   HH11  ARG  15          HH11      ARG  15  10.340 -10.573   2.042
  140   HH12  ARG  15          HH12      ARG  15  10.452 -12.080   1.198
  141   HH21  ARG  15          HH21      ARG  15   9.001 -14.010   3.816
  142   HH22  ARG  15          HH22      ARG  15   9.674 -14.064   2.221
  143    H    LYS  16           HN       LYS  16  11.673  -8.600   8.909
  144    HA   LYS  16           HA       LYS  16  13.005 -10.566  10.583
  145    HB2  LYS  16           HB2      LYS  16  11.327  -8.292  11.700
  146    HB3  LYS  16           HB1      LYS  16  12.818  -9.038  12.378
  147    HG2  LYS  16           HG2      LYS  16  13.855  -7.158  11.619
  148    HG3  LYS  16           HG1      LYS  16  13.802  -7.983  10.023
  149    HD2  LYS  16           HD2      LYS  16  11.824  -6.767   9.345
  150    HD3  LYS  16           HD1      LYS  16  11.536  -6.156  11.011
  151    HE2  LYS  16           HE2      LYS  16  13.636  -4.783  10.877
  152    HE3  LYS  16           HE1      LYS  16  13.933  -5.408   9.201
  153    HZ1  LYS  16           HZ1      LYS  16  12.323  -4.134   8.369
  154    HZ2  LYS  16           HZ2      LYS  16  12.625  -3.182   9.742
  155    HZ3  LYS  16           HZ3      LYS  16  11.310  -4.256   9.725
  156    H    LYS  17           HN       LYS  17  10.071 -10.026   9.033
  157    HA   LYS  17           HA       LYS  17   8.391 -11.024  11.126
  158    HB2  LYS  17           HB2      LYS  17   7.477  -9.515   9.315
  159    HB3  LYS  17           HB1      LYS  17   7.869 -10.784   8.102
  160    HG2  LYS  17           HG2      LYS  17   6.297 -12.361   9.226
  161    HG3  LYS  17           HG1      LYS  17   5.917 -11.113  10.462
  162    HD2  LYS  17           HD2      LYS  17   5.025  -9.610   8.668
  163    HD3  LYS  17           HD1      LYS  17   5.413 -10.856   7.430
  164    HE2  LYS  17           HE2      LYS  17   3.809 -12.452   8.521
  165    HE3  LYS  17           HE1      LYS  17   3.425 -11.204   9.779
  166    HZ1  LYS  17           HZ1      LYS  17   3.173 -10.033   7.252
  167    HZ2  LYS  17           HZ2      LYS  17   1.969 -10.368   8.402
  168    HZ3  LYS  17           HZ3      LYS  17   2.352 -11.520   7.214
  Start of MODEL   12
    1    H1   GLU   1           HT1      GLU   1  32.777  -0.633  11.968
    2    H2   GLU   1           HT2      GLU   1  31.604  -0.654  10.738
    3    H3   GLU   1           HT3      GLU   1  32.716   0.627  10.832
    4    HA   GLU   1           HA       GLU   1  33.773  -0.502   9.263
    5    HB2  GLU   1           HB2      GLU   1  35.223  -0.601  11.336
    6    HB3  GLU   1           HB1      GLU   1  34.518  -2.213  11.707
    7    HG2  GLU   1           HG2      GLU   1  35.473  -3.151   9.588
    8    HG3  GLU   1           HG1      GLU   1  36.146  -1.527   9.163
    9    H    MET   2           HN       MET   2  31.884  -2.745  11.353
   10    HA   MET   2           HA       MET   2  31.515  -4.381   8.950
   11    HB2  MET   2           HB2      MET   2  31.888  -5.368  11.838
   12    HB3  MET   2           HB1      MET   2  31.265  -6.396  10.499
   13    HG2  MET   2           HG2      MET   2  33.380  -6.173   9.268
   14    HG3  MET   2           HG1      MET   2  34.002  -4.988  10.458
   15    HE1  MET   2           HE1      MET   2  32.787  -8.318   9.550
   16    HE2  MET   2           HE2      MET   2  32.062  -8.631  11.164
   17    HE3  MET   2           HE3      MET   2  33.530  -9.531  10.649
   18    H    ARG   3           HN       ARG   3  29.415  -5.312   8.748
   19    HA   ARG   3           HA       ARG   3  27.559  -4.581  10.821
   20    HB2  ARG   3           HB2      ARG   3  25.905  -3.781   9.059
   21    HB3  ARG   3           HB1      ARG   3  27.239  -2.629   9.444
   22    HG2  ARG   3           HG2      ARG   3  27.703  -2.564   7.231
   23    HG3  ARG   3           HG1      ARG   3  28.313  -4.247   7.409
   24    HD2  ARG   3           HD2      ARG   3  26.681  -4.950   5.973
   25    HD3  ARG   3           HD1      ARG   3  25.455  -4.465   7.226
   26    HE   ARG   3           HE       ARG   3  25.053  -2.445   6.018
   27   HH11  ARG   3          HH11      ARG   3  27.861  -4.224   4.725
   28   HH12  ARG   3          HH12      ARG   3  27.986  -3.279   3.279
   29   HH21  ARG   3          HH21      ARG   3  25.224  -1.166   4.052
   30   HH22  ARG   3          HH22      ARG   3  26.461  -1.511   2.891
   31    H    LEU   4           HN       LEU   4  27.314  -6.595  11.316
   32    HA   LEU   4           HA       LEU   4  26.096  -8.199   9.185
   33    HB2  LEU   4           HB2      LEU   4  27.467  -9.281  11.686
   34    HB3  LEU   4           HB1      LEU   4  27.043 -10.182  10.179
   35    HG   LEU   4           HG       LEU   4  29.100  -7.997  10.544
   36   HD11  LEU   4          HD11      LEU   4  29.293 -11.029  10.209
   37   HD12  LEU   4          HD12      LEU   4  30.113  -9.947  11.399
   38   HD13  LEU   4          HD13      LEU   4  30.653  -9.970   9.677
   39   HD21  LEU   4          HD21      LEU   4  29.189  -7.624   8.301
   40   HD22  LEU   4          HD22      LEU   4  27.658  -8.563   8.156
   41   HD23  LEU   4          HD23      LEU   4  29.251  -9.388   7.932
   42    H    SER   5           HN       SER   5  25.798  -6.633  12.261
   43    HA   SER   5           HA       SER   5  23.832  -8.523  13.147
   44    HB2  SER   5           HB2      SER   5  23.372  -6.982  15.022
   45    HB3  SER   5           HB1      SER   5  25.136  -7.362  14.898
   46    HG   SER   5           HG       SER   5  23.733  -5.001  14.372
   47    H    DAB   6           HN       DAB   6  24.112  -6.464  10.794
   48    HA   DAB   6           HA       DAB   6  21.590  -5.233  10.695
   49    HB2  DAB   6           HB1      DAB   6  23.629  -5.847   8.503
   50    HB3  DAB   6           HB2      DAB   6  23.883  -4.470   9.631
   51    HG2  DAB   6           HG2      DAB   6  22.247  -3.188   8.685
   52    HG3  DAB   6           HG1      DAB   6  22.708  -4.164   7.252
   53    H    PHE   7           HN       PHE   7  23.601  -7.791   9.526
   54    HA   PHE   7           HA       PHE   7  21.810  -8.838   7.685
   55    HB2  PHE   7           HB2      PHE   7  24.223  -9.861   9.177
   56    HB3  PHE   7           HB1      PHE   7  23.267 -10.953   8.157
   57    HD1  PHE   7           HD1      PHE   7  24.557  -7.475   7.784
   58    HD2  PHE   7           HD2      PHE   7  24.431 -11.423   6.250
   59    HE1  PHE   7           HE1      PHE   7  25.908  -6.795   5.881
   60    HE2  PHE   7           HE2      PHE   7  25.766 -10.731   4.348
   61    HZ   PHE   7           HZ       PHE   7  26.478  -8.425   4.192
   62    H    PHE   8           HN       PHE   8  22.097  -8.900  11.211
   63    HA   PHE   8           HA       PHE   8  20.425 -11.303  11.015
   64    HB2  PHE   8           HB2      PHE   8  21.764 -10.034  13.506
   65    HB3  PHE   8           HB1      PHE   8  21.028 -11.723  13.406
   66    HD1  PHE   8           HD1      PHE   8  24.142 -10.563  13.614
   67    HD2  PHE   8           HD2      PHE   8  21.657 -12.349  10.688
   68    HE1  PHE   8           HE1      PHE   8  26.065 -10.960  12.155
   69    HE2  PHE   8           HE2      PHE   8  23.374 -12.635   9.243
   70    HZ   PHE   8           HZ       PHE   8  25.740 -12.097   9.958
   71    H    ARG   9           HN       ARG   9  19.781  -9.048   9.937
   72    HA   ARG   9           HA       ARG   9  17.155  -8.856  10.978
   73    HB2  ARG   9           HB2      ARG   9  18.216  -6.232  10.141
   74    HB3  ARG   9           HB1      ARG   9  16.990  -6.631  11.395
   75    HG2  ARG   9           HG2      ARG   9  18.618  -7.039  13.059
   76    HG3  ARG   9           HG1      ARG   9  19.934  -7.319  11.851
   77    HD2  ARG   9           HD2      ARG   9  20.507  -5.165  12.087
   78    HD3  ARG   9           HD1      ARG   9  18.940  -4.759  11.268
   79    HE   ARG   9           HE       ARG   9  18.391  -5.214  14.047
   80   HH11  ARG   9          HH11      ARG   9  20.129  -2.965  11.902
   81   HH12  ARG   9          HH12      ARG   9  19.946  -1.589  12.938
   82   HH21  ARG   9          HH21      ARG   9  18.142  -3.344  15.461
   83   HH22  ARG   9          HH22      ARG   9  18.797  -1.810  14.997
   84    H    GLN  10           HN       GLN  10  19.677  -8.797   8.480
   85    HA   GLN  10           HA       GLN  10  17.541  -8.833   6.530
   86    HB2  GLN  10           HB2      GLN  10  19.867  -7.247   5.527
   87    HB3  GLN  10           HB1      GLN  10  18.115  -6.936   5.309
   88    HG2  GLN  10           HG2      GLN  10  18.176  -5.246   6.841
   89    HG3  GLN  10           HG1      GLN  10  18.833  -6.349   8.098
   90   HE21  GLN  10          HE21      GLN  10  20.313  -4.873   8.992
   91    H    PHE  11           HN       PHE  11  18.832  -9.062   4.195
   92    HA   PHE  11           HA       PHE  11  20.172 -10.244   2.934
   93    HB2  PHE  11           HB2      PHE  11  22.019 -10.554   5.404
   94    HB3  PHE  11           HB1      PHE  11  22.449 -11.041   3.708
   95    HD1  PHE  11           HD1      PHE  11  22.459  -8.499   6.070
   96    HD2  PHE  11           HD2      PHE  11  22.186  -9.216   1.925
   97    HE1  PHE  11           HE1      PHE  11  23.117  -6.196   5.651
   98    HE2  PHE  11           HE2      PHE  11  22.866  -6.924   1.473
   99    HZ   PHE  11           HZ       PHE  11  23.346  -5.385   3.335
  100    H    ILE  12           HN       ILE  12  20.786 -12.011   6.023
  101    HA   ILE  12           HA       ILE  12  20.199 -14.506   4.753
  102    HB   ILE  12           HB       ILE  12  20.362 -13.798   7.733
  103   HG12  ILE  12          HG12      ILE  12  22.726 -14.925   7.366
  104   HG13  ILE  12          HG11      ILE  12  22.489 -14.499   5.631
  105   HG21  ILE  12          HG21      ILE  12  21.107 -16.408   7.601
  106   HG22  ILE  12          HG22      ILE  12  20.113 -16.376   6.095
  107   HG23  ILE  12          HG23      ILE  12  19.370 -15.928   7.677
  108   HD11  ILE  12          HD11      ILE  12  22.671 -12.215   6.016
  109   HD12  ILE  12          HD12      ILE  12  23.648 -12.798   7.403
  110   HD13  ILE  12          HD13      ILE  12  21.913 -12.307   7.666
  111    H    LEU  13           HN       LEU  13  18.730 -12.270   7.080
  112    HA   LEU  13           HA       LEU  13  16.499 -13.999   7.380
  113    HB2  LEU  13           HB2      LEU  13  16.573 -11.115   8.296
  114    HB3  LEU  13           HB1      LEU  13  15.752 -12.517   9.065
  115    HG   LEU  13           HG       LEU  13  18.716 -11.776   9.039
  116   HD11  LEU  13          HD11      LEU  13  18.389 -11.895  11.527
  117   HD12  LEU  13          HD12      LEU  13  16.666 -12.357  11.283
  118   HD13  LEU  13          HD13      LEU  13  17.246 -10.740  10.747
  119   HD21  LEU  13          HD21      LEU  13  18.065 -14.244  10.603
  120   HD22  LEU  13          HD22      LEU  13  19.453 -13.890   9.504
  121   HD23  LEU  13          HD23      LEU  13  17.887 -14.480   8.825
  122    H    GLN  14           HN       GLN  14  17.246 -10.745   6.068
  123    HA   GLN  14           HA       GLN  14  16.399  -9.643   4.333
  124    HB2  GLN  14           HB2      GLN  14  16.064 -11.913   3.153
  125    HB3  GLN  14           HB1      GLN  14  14.391 -11.905   3.811
  126    HG2  GLN  14           HG2      GLN  14  13.860  -9.812   2.586
  127    HG3  GLN  14           HG1      GLN  14  15.566  -9.696   1.993
  128   HE21  GLN  14          HE21      GLN  14  13.885  -9.726  -0.037
  129   HE22  GLN  14          HE22      GLN  14  13.745 -11.276  -0.795
  130    H    ARG  15           HN       ARG  15  13.732 -11.474   6.021
  131    HA   ARG  15           HA       ARG  15  12.395  -8.864   6.248
  132    HB2  ARG  15           HB2      ARG  15  11.227 -11.704   6.430
  133    HB3  ARG  15           HB1      ARG  15  10.295 -10.190   6.699
  134    HG2  ARG  15           HG2      ARG  15  11.745 -10.854   4.068
  135    HG3  ARG  15           HG1      ARG  15  10.025 -11.261   4.395
  136    HD2  ARG  15           HD2      ARG  15   9.556  -8.787   4.806
  137    HD3  ARG  15           HD1      ARG  15  11.273  -8.428   4.317
  138    HE   ARG  15           HE       ARG  15  10.056 -10.054   2.277
  139   HH11  ARG  15          HH11      ARG  15   9.876  -6.821   3.761
  140   HH12  ARG  15          HH12      ARG  15   9.327  -6.022   2.326
  141   HH21  ARG  15          HH21      ARG  15   9.308  -8.969   0.323
  142   HH22  ARG  15          HH22      ARG  15   8.998  -7.265   0.338
  143    H    LYS  16           HN       LYS  16  11.822  -8.105   8.277
  144    HA   LYS  16           HA       LYS  16  12.985  -9.619  10.476
  145    HB2  LYS  16           HB2      LYS  16  11.639  -6.876  10.659
  146    HB3  LYS  16           HB1      LYS  16  12.861  -7.587  11.773
  147    HG2  LYS  16           HG2      LYS  16  14.431  -6.421  10.637
  148    HG3  LYS  16           HG1      LYS  16  14.176  -7.579   9.286
  149    HD2  LYS  16           HD2      LYS  16  12.781  -6.108   8.087
  150    HD3  LYS  16           HD1      LYS  16  12.324  -5.168   9.551
  151    HE2  LYS  16           HE2      LYS  16  15.226  -5.160   8.527
  152    HE3  LYS  16           HE1      LYS  16  13.973  -4.055   7.821
  153    HZ1  LYS  16           HZ1      LYS  16  15.452  -3.652  10.079
  154    HZ2  LYS  16           HZ2      LYS  16  13.922  -4.079  10.677
  155    HZ3  LYS  16           HZ3      LYS  16  14.077  -2.784   9.590
  156    H    LYS  17           HN       LYS  17  10.142  -9.202   8.761
  157    HA   LYS  17           HA       LYS  17   8.358  -9.354  11.008
  158    HB2  LYS  17           HB2      LYS  17   7.648  -8.221   8.867
  159    HB3  LYS  17           HB1      LYS  17   7.853  -9.783   7.999
  160    HG2  LYS  17           HG2      LYS  17   6.076 -10.815   9.417
  161    HG3  LYS  17           HG1      LYS  17   5.883  -9.268  10.312
  162    HD2  LYS  17           HD2      LYS  17   5.206  -8.126   8.190
  163    HD3  LYS  17           HD1      LYS  17   5.408  -9.670   7.292
  164    HE2  LYS  17           HE2      LYS  17   3.599 -10.725   8.678
  165    HE3  LYS  17           HE1      LYS  17   3.401  -9.175   9.597
  166    HZ1  LYS  17           HZ1      LYS  17   3.309  -8.629   6.849
  167    HZ2  LYS  17           HZ2      LYS  17   2.087  -8.473   8.017
  168    HZ3  LYS  17           HZ3      LYS  17   2.266  -9.930   7.164
  Start of MODEL   13
    1    H1   GLU   1           HT1      GLU   1  32.115   0.304  10.291
    2    H2   GLU   1           HT2      GLU   1  30.527   0.086   9.727
    3    H3   GLU   1           HT3      GLU   1  31.268   1.609   9.610
    4    HA   GLU   1           HA       GLU   1  31.866   1.096   7.590
    5    HB2  GLU   1           HB2      GLU   1  33.615  -0.633   9.339
    6    HB3  GLU   1           HB1      GLU   1  33.624  -1.028   7.585
    7    HG2  GLU   1           HG2      GLU   1  35.451   0.535   7.969
    8    HG3  GLU   1           HG1      GLU   1  34.148   1.460   7.122
    9    H    MET   2           HN       MET   2  31.150  -1.975   9.382
   10    HA   MET   2           HA       MET   2  29.656  -2.784   6.998
   11    HB2  MET   2           HB2      MET   2  31.451  -4.567   8.744
   12    HB3  MET   2           HB1      MET   2  30.249  -5.200   7.566
   13    HG2  MET   2           HG2      MET   2  31.474  -3.880   5.746
   14    HG3  MET   2           HG1      MET   2  32.743  -3.508   6.956
   15    HE1  MET   2           HE1      MET   2  34.649  -6.547   7.726
   16    HE2  MET   2           HE2      MET   2  33.159  -6.253   8.689
   17    HE3  MET   2           HE3      MET   2  34.133  -4.864   8.094
   18    H    ARG   3           HN       ARG   3  27.785  -4.069   7.452
   19    HA   ARG   3           HA       ARG   3  27.167  -4.293  10.266
   20    HB2  ARG   3           HB2      ARG   3  24.778  -3.564   9.693
   21    HB3  ARG   3           HB1      ARG   3  26.000  -2.247   9.850
   22    HG2  ARG   3           HG2      ARG   3  25.456  -1.554   7.768
   23    HG3  ARG   3           HG1      ARG   3  26.164  -3.084   7.141
   24    HD2  ARG   3           HD2      ARG   3  24.113  -3.826   6.488
   25    HD3  ARG   3           HD1      ARG   3  23.488  -3.630   8.188
   26    HE   ARG   3           HE       ARG   3  23.695  -1.105   6.626
   27   HH11  ARG   3          HH11      ARG   3  21.719  -3.890   7.645
   28   HH12  ARG   3          HH12      ARG   3  20.199  -3.110   7.364
   29   HH21  ARG   3          HH21      ARG   3  21.627  -0.048   6.241
   30   HH22  ARG   3          HH22      ARG   3  20.147  -0.890   6.549
   31    H    LEU   4           HN       LEU   4  27.526  -6.387  10.059
   32    HA   LEU   4           HA       LEU   4  25.573  -7.736   8.339
   33    HB2  LEU   4           HB2      LEU   4  28.147  -8.910   9.488
   34    HB3  LEU   4           HB1      LEU   4  27.141  -9.568   8.138
   35    HG   LEU   4           HG       LEU   4  28.750  -7.006   8.181
   36   HD11  LEU   4          HD11      LEU   4  29.200  -9.580   6.541
   37   HD12  LEU   4          HD12      LEU   4  30.145  -9.071   7.992
   38   HD13  LEU   4          HD13      LEU   4  30.212  -8.086   6.481
   39   HD21  LEU   4          HD21      LEU   4  26.509  -6.994   6.808
   40   HD22  LEU   4          HD22      LEU   4  27.348  -8.137   5.689
   41   HD23  LEU   4          HD23      LEU   4  28.019  -6.484   5.958
   42    H    SER   5           HN       SER   5  26.643  -7.011  11.554
   43    HA   SER   5           HA       SER   5  25.653  -9.508  12.559
   44    HB2  SER   5           HB2      SER   5  25.971  -8.588  14.827
   45    HB3  SER   5           HB1      SER   5  27.475  -8.429  13.836
   46    HG   SER   5           HG       SER   5  25.677  -6.492  14.752
   47    H    DAB   6           HN       DAB   6  24.454  -6.961  11.131
   48    HA   DAB   6           HA       DAB   6  22.062  -6.507  12.529
   49    HB2  DAB   6           HB1      DAB   6  22.793  -6.016   9.605
   50    HB3  DAB   6           HB2      DAB   6  23.412  -4.924  10.893
   51    HG2  DAB   6           HG2      DAB   6  21.364  -3.980  11.296
   52    HG3  DAB   6           HG1      DAB   6  21.188  -4.373   9.556
   53    H    PHE   7           HN       PHE   7  23.573  -8.068   9.837
   54    HA   PHE   7           HA       PHE   7  21.276  -9.132   8.710
   55    HB2  PHE   7           HB2      PHE   7  24.224  -9.754   8.596
   56    HB3  PHE   7           HB1      PHE   7  23.053 -10.822   7.799
   57    HD1  PHE   7           HD1      PHE   7  23.421  -7.125   8.051
   58    HD2  PHE   7           HD2      PHE   7  23.236 -10.532   5.539
   59    HE1  PHE   7           HE1      PHE   7  23.545  -5.699   6.087
   60    HE2  PHE   7           HE2      PHE   7  23.344  -9.100   3.584
   61    HZ   PHE   7           HZ       PHE   7  23.491  -6.703   3.893
   62    H    PHE   8           HN       PHE   8  23.260  -9.906  11.536
   63    HA   PHE   8           HA       PHE   8  22.045 -12.565  11.303
   64    HB2  PHE   8           HB2      PHE   8  24.244 -11.567  13.245
   65    HB3  PHE   8           HB1      PHE   8  23.786 -13.328  12.929
   66    HD1  PHE   8           HD1      PHE   8  26.413 -11.438  12.145
   67    HD2  PHE   8           HD2      PHE   8  23.083 -13.147  10.165
   68    HE1  PHE   8           HE1      PHE   8  27.408 -10.965   9.961
   69    HE2  PHE   8           HE2      PHE   8  23.896 -12.631   8.116
   70    HZ   PHE   8           HZ       PHE   8  26.210 -11.640   7.881
   71    H    ARG   9           HN       ARG   9  20.657 -10.399  11.393
   72    HA   ARG   9           HA       ARG   9  18.859 -11.172  13.434
   73    HB2  ARG   9           HB2      ARG   9  19.012  -8.238  13.160
   74    HB3  ARG   9           HB1      ARG   9  18.622  -9.238  14.602
   75    HG2  ARG   9           HG2      ARG   9  20.890  -9.535  15.185
   76    HG3  ARG   9           HG1      ARG   9  21.479  -9.171  13.515
   77    HD2  ARG   9           HD2      ARG   9  21.807  -7.056  14.191
   78    HD3  ARG   9           HD1      ARG   9  19.999  -6.913  14.250
   79    HE   ARG   9           HE       ARG   9  20.934  -8.108  16.708
   80   HH11  ARG   9          HH11      ARG   9  20.905  -5.045  14.892
   81   HH12  ARG   9          HH12      ARG   9  20.964  -4.033  16.296
   82   HH21  ARG   9          HH21      ARG   9  21.015  -6.733  18.619
   83   HH22  ARG   9          HH22      ARG   9  21.029  -5.010  18.452
   84    H    GLN  10           HN       GLN  10  19.834  -9.923  10.273
   85    HA   GLN  10           HA       GLN  10  17.054 -10.056   9.502
   86    HB2  GLN  10           HB2      GLN  10  18.413  -7.728   8.201
   87    HB3  GLN  10           HB1      GLN  10  16.732  -7.856   8.808
   88    HG2  GLN  10           HG2      GLN  10  17.242  -6.610  10.653
   89    HG3  GLN  10           HG1      GLN  10  18.568  -7.735  11.105
   90   HE21  GLN  10          HE21      GLN  10  20.047  -6.136  11.757
   91    H    PHE  11           HN       PHE  11  16.986  -9.567   6.951
   92    HA   PHE  11           HA       PHE  11  17.703  -9.958   4.918
   93    HB2  PHE  11           HB2      PHE  11  20.565 -10.258   6.071
   94    HB3  PHE  11           HB1      PHE  11  20.146 -10.229   4.305
   95    HD1  PHE  11           HD1      PHE  11  20.941  -8.371   7.133
   96    HD2  PHE  11           HD2      PHE  11  18.826  -8.211   3.491
   97    HE1  PHE  11           HE1      PHE  11  20.991  -5.941   7.236
   98    HE2  PHE  11           HE2      PHE  11  18.866  -5.779   3.561
   99    HZ   PHE  11           HZ       PHE  11  19.956  -4.612   5.434
  100    H    ILE  12           HN       ILE  12  20.002 -12.087   6.705
  101    HA   ILE  12           HA       ILE  12  19.260 -14.315   5.081
  102    HB   ILE  12           HB       ILE  12  20.775 -14.227   7.746
  103   HG12  ILE  12          HG12      ILE  12  22.778 -14.503   6.039
  104   HG13  ILE  12          HG11      ILE  12  21.641 -13.801   4.832
  105   HG21  ILE  12          HG21      ILE  12  20.157 -16.363   5.637
  106   HG22  ILE  12          HG22      ILE  12  20.247 -16.496   7.435
  107   HG23  ILE  12          HG23      ILE  12  21.762 -16.408   6.460
  108   HD11  ILE  12          HD11      ILE  12  23.263 -12.274   6.407
  109   HD12  ILE  12          HD12      ILE  12  21.813 -12.361   7.504
  110   HD13  ILE  12          HD13      ILE  12  21.667 -11.704   5.814
  111    H    LEU  13           HN       LEU  13  18.719 -13.127   8.381
  112    HA   LEU  13           HA       LEU  13  17.418 -15.546   9.073
  113    HB2  LEU  13           HB2      LEU  13  17.321 -12.990  10.692
  114    HB3  LEU  13           HB1      LEU  13  17.287 -14.692  11.275
  115    HG   LEU  13           HG       LEU  13  19.622 -13.056  10.187
  116   HD11  LEU  13          HD11      LEU  13  19.093 -12.827  12.576
  117   HD12  LEU  13          HD12      LEU  13  20.621 -13.774  12.410
  118   HD13  LEU  13          HD13      LEU  13  19.078 -14.612  12.807
  119   HD21  LEU  13          HD21      LEU  13  19.358 -15.780   9.503
  120   HD22  LEU  13          HD22      LEU  13  20.298 -15.861  11.035
  121   HD23  LEU  13          HD23      LEU  13  20.913 -14.877   9.653
  122    H    GLN  14           HN       GLN  14  16.436 -12.066   8.653
  123    HA   GLN  14           HA       GLN  14  13.838 -13.103   7.860
  124    HB2  GLN  14           HB2      GLN  14  12.536 -11.672   9.383
  125    HB3  GLN  14           HB1      GLN  14  13.584 -12.772  10.346
  126    HG2  GLN  14           HG2      GLN  14  15.294 -10.872  10.539
  127    HG3  GLN  14           HG1      GLN  14  14.084  -9.782   9.751
  128   HE21  GLN  14          HE21      GLN  14  15.285 -10.286  12.679
  129   HE22  GLN  14          HE22      GLN  14  13.874 -10.170  13.681
  130    H    ARG  15           HN       ARG  15  12.549 -11.539   6.670
  131    HA   ARG  15           HA       ARG  15  14.249  -9.699   5.295
  132    HB2  ARG  15           HB2      ARG  15  11.214 -10.180   5.160
  133    HB3  ARG  15           HB1      ARG  15  12.095  -9.024   4.101
  134    HG2  ARG  15           HG2      ARG  15  13.466 -10.893   3.177
  135    HG3  ARG  15           HG1      ARG  15  12.603 -12.058   4.243
  136    HD2  ARG  15           HD2      ARG  15  10.429 -11.508   3.097
  137    HD3  ARG  15           HD1      ARG  15  11.304 -10.335   2.015
  138    HE   ARG  15           HE       ARG  15  12.642 -12.875   1.865
  139   HH11  ARG  15          HH11      ARG  15   9.543 -11.310   1.069
  140   HH12  ARG  15          HH12      ARG  15   9.210 -12.316  -0.301
  141   HH21  ARG  15          HH21      ARG  15  12.188 -14.246   0.003
  142   HH22  ARG  15          HH22      ARG  15  10.740 -14.014  -0.917
  143    H    LYS  16           HN       LYS  16  14.030  -7.375   5.261
  144    HA   LYS  16           HA       LYS  16  13.339  -6.339   7.804
  145    HB2  LYS  16           HB2      LYS  16  13.689  -4.060   6.624
  146    HB3  LYS  16           HB1      LYS  16  15.116  -5.146   6.715
  147    HG2  LYS  16           HG2      LYS  16  13.368  -5.463   4.275
  148    HG3  LYS  16           HG1      LYS  16  14.258  -3.910   4.415
  149    HD2  LYS  16           HD2      LYS  16  16.359  -5.430   4.931
  150    HD3  LYS  16           HD1      LYS  16  15.373  -6.760   4.234
  151    HE2  LYS  16           HE2      LYS  16  15.952  -4.097   2.767
  152    HE3  LYS  16           HE1      LYS  16  16.908  -5.622   2.545
  153    HZ1  LYS  16           HZ1      LYS  16  15.140  -5.267   0.905
  154    HZ2  LYS  16           HZ2      LYS  16  13.972  -5.392   2.133
  155    HZ3  LYS  16           HZ3      LYS  16  14.970  -6.718   1.770
  156    H    LYS  17           HN       LYS  17  11.685  -6.947   4.828
  157    HA   LYS  17           HA       LYS  17   9.623  -5.013   5.386
  158    HB2  LYS  17           HB2      LYS  17  10.422  -5.865   2.998
  159    HB3  LYS  17           HB1      LYS  17   9.394  -7.296   3.364
  160    HG2  LYS  17           HG2      LYS  17   7.402  -5.891   3.597
  161    HG3  LYS  17           HG1      LYS  17   8.384  -4.391   3.468
  162    HD2  LYS  17           HD2      LYS  17   7.393  -4.675   1.312
  163    HD3  LYS  17           HD1      LYS  17   9.097  -5.211   1.122
  164    HE2  LYS  17           HE2      LYS  17   7.656  -6.823  -0.041
  165    HE3  LYS  17           HE1      LYS  17   8.276  -7.635   1.457
  166    HZ1  LYS  17           HZ1      LYS  17   5.891  -6.242   2.025
  167    HZ2  LYS  17           HZ2      LYS  17   6.225  -7.904   2.121
  168    HZ3  LYS  17           HZ3      LYS  17   5.650  -7.233   0.670
  Start of MODEL   14
    1    H1   GLU   1           HT1      GLU   1  31.971   1.631   9.275
    2    H2   GLU   1           HT2      GLU   1  32.784   0.175   8.953
    3    H3   GLU   1           HT3      GLU   1  31.136   0.154   9.365
    4    HA   GLU   1           HA       GLU   1  31.088   1.774   7.272
    5    HB2  GLU   1           HB2      GLU   1  33.305  -0.305   6.852
    6    HB3  GLU   1           HB1      GLU   1  32.463   0.507   5.482
    7    HG2  GLU   1           HG2      GLU   1  33.263   2.732   6.236
    8    HG3  GLU   1           HG1      GLU   1  34.005   1.999   7.712
    9    H    MET   2           HN       MET   2  31.404  -1.690   8.223
   10    HA   MET   2           HA       MET   2  28.898  -2.126   6.766
   11    HB2  MET   2           HB2      MET   2  31.295  -4.043   6.935
   12    HB3  MET   2           HB1      MET   2  29.656  -4.524   6.371
   13    HG2  MET   2           HG2      MET   2  29.804  -2.927   4.478
   14    HG3  MET   2           HG1      MET   2  31.386  -2.327   5.067
   15    HE1  MET   2           HE1      MET   2  29.315  -4.989   3.280
   16    HE2  MET   2           HE2      MET   2  29.714  -5.894   4.780
   17    HE3  MET   2           HE3      MET   2  30.356  -6.452   3.198
   18    H    ARG   3           HN       ARG   3  27.511  -3.717   7.742
   19    HA   ARG   3           HA       ARG   3  28.492  -4.631  10.305
   20    HB2  ARG   3           HB2      ARG   3  26.498  -4.144  11.499
   21    HB3  ARG   3           HB1      ARG   3  26.894  -2.617  10.639
   22    HG2  ARG   3           HG2      ARG   3  24.805  -4.721   9.816
   23    HG3  ARG   3           HG1      ARG   3  24.478  -3.107  10.527
   24    HD2  ARG   3           HD2      ARG   3  25.894  -2.251   8.366
   25    HD3  ARG   3           HD1      ARG   3  25.320  -3.841   7.683
   26    HE   ARG   3           HE       ARG   3  23.109  -2.477   8.966
   27   HH11  ARG   3          HH11      ARG   3  25.278  -2.338   6.144
   28   HH12  ARG   3          HH12      ARG   3  24.127  -1.569   5.104
   29   HH21  ARG   3          HH21      ARG   3  21.544  -1.430   7.553
   30   HH22  ARG   3          HH22      ARG   3  21.969  -1.043   5.919
   31    H    LEU   4           HN       LEU   4  28.630  -6.687  10.209
   32    HA   LEU   4           HA       LEU   4  26.354  -7.961   8.917
   33    HB2  LEU   4           HB2      LEU   4  29.325  -8.575   8.588
   34    HB3  LEU   4           HB1      LEU   4  28.039  -9.785   8.177
   35    HG   LEU   4           HG       LEU   4  28.011  -6.931   7.273
   36   HD11  LEU   4          HD11      LEU   4  28.693  -7.939   4.934
   37   HD12  LEU   4          HD12      LEU   4  29.265  -9.367   5.877
   38   HD13  LEU   4          HD13      LEU   4  29.989  -7.741   6.174
   39   HD21  LEU   4          HD21      LEU   4  25.828  -7.647   7.054
   40   HD22  LEU   4          HD22      LEU   4  26.297  -9.350   6.664
   41   HD23  LEU   4          HD23      LEU   4  26.475  -8.057   5.416
   42    H    SER   5           HN       SER   5  25.809  -7.700  11.128
   43    HA   SER   5           HA       SER   5  26.084 -10.265  12.342
   44    HB2  SER   5           HB2      SER   5  26.507  -9.375  14.644
   45    HB3  SER   5           HB1      SER   5  27.934  -9.275  13.538
   46    HG   SER   5           HG       SER   5  27.357  -7.354  14.822
   47    H    DAB   6           HN       DAB   6  24.744  -7.230  11.810
   48    HA   DAB   6           HA       DAB   6  22.521  -7.273  13.442
   49    HB2  DAB   6           HB1      DAB   6  22.923  -6.128  10.624
   50    HB3  DAB   6           HB2      DAB   6  23.526  -5.284  12.108
   51    HG2  DAB   6           HG2      DAB   6  21.004  -5.624  12.926
   52    HG3  DAB   6           HG1      DAB   6  21.465  -4.243  11.873
   53    H    PHE   7           HN       PHE   7  23.663  -8.278  10.424
   54    HA   PHE   7           HA       PHE   7  21.331  -8.998   9.166
   55    HB2  PHE   7           HB2      PHE   7  24.258  -9.711   9.056
   56    HB3  PHE   7           HB1      PHE   7  23.085 -10.599   8.014
   57    HD1  PHE   7           HD1      PHE   7  23.711  -7.035   8.954
   58    HD2  PHE   7           HD2      PHE   7  23.132  -9.890   5.873
   59    HE1  PHE   7           HE1      PHE   7  23.875  -5.280   7.274
   60    HE2  PHE   7           HE2      PHE   7  23.293  -8.134   4.209
   61    HZ   PHE   7           HZ       PHE   7  23.663  -5.865   4.941
   62    H    PHE   8           HN       PHE   8  23.240 -10.446  11.750
   63    HA   PHE   8           HA       PHE   8  21.921 -12.946  11.019
   64    HB2  PHE   8           HB2      PHE   8  24.353 -12.368  12.860
   65    HB3  PHE   8           HB1      PHE   8  23.790 -14.048  12.313
   66    HD1  PHE   8           HD1      PHE   8  26.232 -11.814  11.492
   67    HD2  PHE   8           HD2      PHE   8  22.835 -13.647   9.771
   68    HE1  PHE   8           HE1      PHE   8  26.847 -10.956   9.294
   69    HE2  PHE   8           HE2      PHE   8  23.367 -12.803   7.681
   70    HZ   PHE   8           HZ       PHE   8  25.478 -11.527   7.318
   71    H    ARG   9           HN       ARG   9  20.736 -10.734  11.687
   72    HA   ARG   9           HA       ARG   9  19.102 -11.766  13.762
   73    HB2  ARG   9           HB2      ARG   9  19.551  -8.817  13.845
   74    HB3  ARG   9           HB1      ARG   9  19.030  -9.932  15.157
   75    HG2  ARG   9           HG2      ARG   9  21.234 -10.644  15.629
   76    HG3  ARG   9           HG1      ARG   9  21.852 -10.163  14.003
   77    HD2  ARG   9           HD2      ARG   9  22.569  -8.271  14.973
   78    HD3  ARG   9           HD1      ARG   9  20.816  -7.800  15.024
   79    HE   ARG   9           HE       ARG   9  21.398  -9.427  17.330
   80   HH11  ARG   9          HH11      ARG   9  22.095  -6.240  15.904
   81   HH12  ARG   9          HH12      ARG   9  22.314  -5.436  17.422
   82   HH21  ARG   9          HH21      ARG   9  21.694  -8.335  19.396
   83   HH22  ARG   9          HH22      ARG   9  22.082  -6.649  19.442
   84    H    GLN  10           HN       GLN  10  19.818  -9.928  10.781
   85    HA   GLN  10           HA       GLN  10  17.030 -10.142  10.158
   86    HB2  GLN  10           HB2      GLN  10  16.596  -7.851   9.538
   87    HB3  GLN  10           HB1      GLN  10  17.137  -7.836  11.254
   88    HG2  GLN  10           HG2      GLN  10  19.281  -7.516   9.158
   89    HG3  GLN  10           HG1      GLN  10  18.121  -6.152   9.316
   90   HE21  GLN  10          HE21      GLN  10  20.745  -5.654   9.867
   91    H    PHE  11           HN       PHE  11  16.729  -9.017   7.808
   92    HA   PHE  11           HA       PHE  11  17.384  -8.816   5.726
   93    HB2  PHE  11           HB2      PHE  11  20.301  -9.483   6.571
   94    HB3  PHE  11           HB1      PHE  11  19.782  -9.008   4.902
   95    HD1  PHE  11           HD1      PHE  11  21.203  -7.883   7.736
   96    HD2  PHE  11           HD2      PHE  11  18.192  -6.826   4.981
   97    HE1  PHE  11           HE1      PHE  11  21.437  -5.552   8.402
   98    HE2  PHE  11           HE2      PHE  11  18.415  -4.488   5.614
   99    HZ   PHE  11           HZ       PHE  11  20.048  -3.821   7.332
  100    H    ILE  12           HN       ILE  12  19.558 -11.435   6.993
  101    HA   ILE  12           HA       ILE  12  18.567 -13.189   4.926
  102    HB   ILE  12           HB       ILE  12  20.350 -13.790   7.343
  103   HG12  ILE  12          HG12      ILE  12  22.161 -13.748   5.428
  104   HG13  ILE  12          HG11      ILE  12  20.971 -12.752   4.517
  105   HG21  ILE  12          HG21      ILE  12  21.044 -15.651   5.489
  106   HG22  ILE  12          HG22      ILE  12  19.376 -15.331   4.879
  107   HG23  ILE  12          HG23      ILE  12  19.624 -15.892   6.576
  108   HD11  ILE  12          HD11      ILE  12  21.443 -11.912   7.386
  109   HD12  ILE  12          HD12      ILE  12  21.271 -10.911   5.875
  110   HD13  ILE  12          HD13      ILE  12  22.837 -11.707   6.244
  111    H    LEU  13           HN       LEU  13  18.487 -12.772   8.469
  112    HA   LEU  13           HA       LEU  13  17.022 -15.175   8.752
  113    HB2  LEU  13           HB2      LEU  13  17.240 -13.022  10.880
  114    HB3  LEU  13           HB1      LEU  13  17.087 -14.802  11.097
  115    HG   LEU  13           HG       LEU  13  19.497 -13.166  10.180
  116   HD11  LEU  13          HD11      LEU  13  20.560 -14.393  12.144
  117   HD12  LEU  13          HD12      LEU  13  18.961 -15.143  12.502
  118   HD13  LEU  13          HD13      LEU  13  19.158 -13.355  12.610
  119   HD21  LEU  13          HD21      LEU  13  18.838 -15.893   9.292
  120   HD22  LEU  13          HD22      LEU  13  20.262 -15.953  10.394
  121   HD23  LEU  13          HD23      LEU  13  20.299 -14.893   8.936
  122    H    GLN  14           HN       GLN  14  16.359 -11.642   9.177
  123    HA   GLN  14           HA       GLN  14  13.508 -12.369   8.965
  124    HB2  GLN  14           HB2      GLN  14  14.735  -9.842  10.213
  125    HB3  GLN  14           HB1      GLN  14  12.977 -10.207  10.096
  126    HG2  GLN  14           HG2      GLN  14  13.345 -12.261  11.553
  127    HG3  GLN  14           HG1      GLN  14  15.072 -11.761  11.754
  128   HE21  GLN  14          HE21      GLN  14  15.561 -10.319  13.364
  129   HE22  GLN  14          HE22      GLN  14  14.403  -9.358  14.228
  130    H    ARG  15           HN       ARG  15  12.330 -11.505   7.264
  131    HA   ARG  15           HA       ARG  15  13.856 -10.222   5.242
  132    HB2  ARG  15           HB2      ARG  15  10.826 -10.641   5.551
  133    HB3  ARG  15           HB1      ARG  15  11.588  -9.901   4.100
  134    HG2  ARG  15           HG2      ARG  15  12.886 -11.995   3.699
  135    HG3  ARG  15           HG1      ARG  15  12.138 -12.742   5.155
  136    HD2  ARG  15           HD2      ARG  15   9.862 -12.544   4.098
  137    HD3  ARG  15           HD1      ARG  15  10.619 -11.790   2.624
  138    HE   ARG  15           HE       ARG  15  11.966 -14.271   3.166
  139   HH11  ARG  15          HH11      ARG  15   8.790 -12.983   2.199
  140   HH12  ARG  15          HH12      ARG  15   8.344 -14.364   1.253
  141   HH21  ARG  15          HH21      ARG  15  11.361 -16.152   1.881
  142   HH22  ARG  15          HH22      ARG  15   9.831 -16.197   1.071
  143    H    LYS  16           HN       LYS  16  13.794  -8.028   4.556
  144    HA   LYS  16           HA       LYS  16  13.183  -6.220   6.654
  145    HB2  LYS  16           HB2      LYS  16  13.633  -4.447   4.782
  146    HB3  LYS  16           HB1      LYS  16  15.010  -5.461   5.331
  147    HG2  LYS  16           HG2      LYS  16  13.380  -6.560   3.040
  148    HG3  LYS  16           HG1      LYS  16  14.335  -5.078   2.699
  149    HD2  LYS  16           HD2      LYS  16  16.394  -6.240   3.598
  150    HD3  LYS  16           HD1      LYS  16  15.422  -7.733   3.831
  151    HE2  LYS  16           HE2      LYS  16  14.953  -7.822   1.365
  152    HE3  LYS  16           HE1      LYS  16  15.922  -6.307   1.129
  153    HZ1  LYS  16           HZ1      LYS  16  17.110  -8.413   0.710
  154    HZ2  LYS  16           HZ2      LYS  16  16.987  -8.794   2.360
  155    HZ3  LYS  16           HZ3      LYS  16  17.850  -7.416   1.868
  156    H    LYS  17           HN       LYS  17  11.498  -7.622   3.981
  157    HA   LYS  17           HA       LYS  17   9.572  -5.493   3.838
  158    HB2  LYS  17           HB2      LYS  17  10.271  -7.179   1.904
  159    HB3  LYS  17           HB1      LYS  17   9.147  -8.313   2.734
  160    HG2  LYS  17           HG2      LYS  17   7.308  -6.600   2.531
  161    HG3  LYS  17           HG1      LYS  17   8.437  -5.521   1.642
  162    HD2  LYS  17           HD2      LYS  17   7.722  -8.373   0.729
  163    HD3  LYS  17           HD1      LYS  17   6.840  -6.903   0.190
  164    HE2  LYS  17           HE2      LYS  17   9.012  -5.976  -0.742
  165    HE3  LYS  17           HE1      LYS  17   9.836  -7.522  -0.272
  166    HZ1  LYS  17           HZ1      LYS  17   8.322  -6.949  -2.553
  167    HZ2  LYS  17           HZ2      LYS  17   7.499  -8.147  -1.674
  168    HZ3  LYS  17           HZ3      LYS  17   9.117  -8.388  -2.128
  Start of MODEL   15
    1    H1   GLU   1           HT1      GLU   1  33.661  -1.406  10.751
    2    H2   GLU   1           HT2      GLU   1  33.501   0.271  10.968
    3    H3   GLU   1           HT3      GLU   1  34.679  -0.340   9.907
    4    HA   GLU   1           HA       GLU   1  31.921   0.202   9.472
    5    HB2  GLU   1           HB2      GLU   1  34.354  -0.417   7.705
    6    HB3  GLU   1           HB1      GLU   1  32.738  -0.007   7.026
    7    HG2  GLU   1           HG2      GLU   1  32.789   2.229   8.101
    8    HG3  GLU   1           HG1      GLU   1  34.344   1.827   8.933
    9    H    MET   2           HN       MET   2  31.210  -1.928  10.652
   10    HA   MET   2           HA       MET   2  31.014  -3.958   8.550
   11    HB2  MET   2           HB2      MET   2  31.448  -4.436  11.557
   12    HB3  MET   2           HB1      MET   2  30.946  -5.716  10.397
   13    HG2  MET   2           HG2      MET   2  33.045  -5.480   9.140
   14    HG3  MET   2           HG1      MET   2  33.537  -4.077  10.140
   15    HE1  MET   2           HE1      MET   2  33.481  -8.566  11.018
   16    HE2  MET   2           HE2      MET   2  32.656  -7.609   9.738
   17    HE3  MET   2           HE3      MET   2  31.927  -7.736  11.376
   18    H    ARG   3           HN       ARG   3  28.991  -5.084   8.511
   19    HA   ARG   3           HA       ARG   3  27.068  -4.242  10.462
   20    HB2  ARG   3           HB2      ARG   3  25.388  -3.743   8.606
   21    HB3  ARG   3           HB1      ARG   3  26.608  -2.455   8.936
   22    HG2  ARG   3           HG2      ARG   3  27.226  -2.528   6.763
   23    HG3  ARG   3           HG1      ARG   3  27.833  -4.198   7.047
   24    HD2  ARG   3           HD2      ARG   3  26.190  -5.076   5.734
   25    HD3  ARG   3           HD1      ARG   3  24.920  -4.264   6.754
   26    HE   ARG   3           HE       ARG   3  26.322  -2.506   4.791
   27   HH11  ARG   3          HH11      ARG   3  23.532  -4.575   5.595
   28   HH12  ARG   3          HH12      ARG   3  22.482  -3.882   4.405
   29   HH21  ARG   3          HH21      ARG   3  24.894  -1.571   3.173
   30   HH22  ARG   3          HH22      ARG   3  23.272  -2.149   3.004
   31    H    LEU   4           HN       LEU   4  27.186  -6.301  11.066
   32    HA   LEU   4           HA       LEU   4  26.001  -8.129   9.104
   33    HB2  LEU   4           HB2      LEU   4  27.582  -8.860  11.611
   34    HB3  LEU   4           HB1      LEU   4  27.165  -9.937  10.220
   35    HG   LEU   4           HG       LEU   4  28.990  -7.526  10.220
   36   HD11  LEU   4          HD11      LEU   4  29.560 -10.545  10.081
   37   HD12  LEU   4          HD12      LEU   4  30.147  -9.347  11.296
   38   HD13  LEU   4          HD13      LEU   4  30.776  -9.300   9.605
   39   HD21  LEU   4          HD21      LEU   4  29.406  -7.834   7.865
   40   HD22  LEU   4          HD22      LEU   4  27.612  -7.944   8.041
   41   HD23  LEU   4          HD23      LEU   4  28.595  -9.445   7.846
   42    H    SER   5           HN       SER   5  25.640  -6.375  12.059
   43    HA   SER   5           HA       SER   5  23.919  -8.382  13.168
   44    HB2  SER   5           HB2      SER   5  23.358  -6.755  14.938
   45    HB3  SER   5           HB1      SER   5  25.148  -6.949  14.766
   46    HG   SER   5           HG       SER   5  23.468  -4.807  14.105
   47    H    DAB   6           HN       DAB   6  23.897  -6.471  10.659
   48    HA   DAB   6           HA       DAB   6  21.244  -5.552  10.579
   49    HB2  DAB   6           HB1      DAB   6  23.241  -6.098   8.332
   50    HB3  DAB   6           HB2      DAB   6  23.407  -4.631   9.360
   51    HG2  DAB   6           HG2      DAB   6  21.584  -3.593   8.449
   52    HG3  DAB   6           HG1      DAB   6  22.100  -4.581   7.043
   53    H    PHE   7           HN       PHE   7  23.493  -7.949   9.506
   54    HA   PHE   7           HA       PHE   7  21.770  -9.326   7.824
   55    HB2  PHE   7           HB2      PHE   7  24.328  -9.965   9.287
   56    HB3  PHE   7           HB1      PHE   7  23.466 -11.228   8.388
   57    HD1  PHE   7           HD1      PHE   7  24.375  -7.675   7.740
   58    HD2  PHE   7           HD2      PHE   7  24.578 -11.709   6.455
   59    HE1  PHE   7           HE1      PHE   7  25.586  -6.991   5.746
   60    HE2  PHE   7           HE2      PHE   7  25.774 -11.013   4.459
   61    HZ   PHE   7           HZ       PHE   7  26.253  -8.662   4.137
   62    H    PHE   8           HN       PHE   8  22.191  -9.091  11.333
   63    HA   PHE   8           HA       PHE   8  20.783 -11.664  11.384
   64    HB2  PHE   8           HB2      PHE   8  22.067 -10.078  13.716
   65    HB3  PHE   8           HB1      PHE   8  21.515 -11.838  13.767
   66    HD1  PHE   8           HD1      PHE   8  24.489 -10.350  13.764
   67    HD2  PHE   8           HD2      PHE   8  22.110 -12.587  11.068
   68    HE1  PHE   8           HE1      PHE   8  26.392 -10.648  12.255
   69    HE2  PHE   8           HE2      PHE   8  23.795 -12.793   9.574
   70    HZ   PHE   8           HZ       PHE   8  26.113 -11.964  10.154
   71    H    ARG   9           HN       ARG   9  19.856  -9.606  10.169
   72    HA   ARG   9           HA       ARG   9  17.263  -9.606  11.305
   73    HB2  ARG   9           HB2      ARG   9  18.018  -6.970  10.203
   74    HB3  ARG   9           HB1      ARG   9  16.868  -7.379  11.523
   75    HG2  ARG   9           HG2      ARG   9  18.576  -7.494  13.162
   76    HG3  ARG   9           HG1      ARG   9  19.882  -7.707  11.931
   77    HD2  ARG   9           HD2      ARG   9  20.206  -5.489  12.015
   78    HD3  ARG   9           HD1      ARG   9  18.592  -5.331  11.199
   79    HE   ARG   9           HE       ARG   9  18.144  -5.642  14.021
   80   HH11  ARG   9          HH11      ARG   9  19.528  -3.363  11.661
   81   HH12  ARG   9          HH12      ARG   9  19.177  -1.945  12.592
   82   HH21  ARG   9          HH21      ARG   9  17.664  -3.715  15.288
   83   HH22  ARG   9          HH22      ARG   9  18.099  -2.150  14.690
   84    H    GLN  10           HN       GLN  10  19.699  -9.390   8.699
   85    HA   GLN  10           HA       GLN  10  17.523  -9.886   6.855
   86    HB2  GLN  10           HB2      GLN  10  19.579  -8.108   5.621
   87    HB3  GLN  10           HB1      GLN  10  17.792  -8.027   5.482
   88    HG2  GLN  10           HG2      GLN  10  17.733  -6.214   6.864
   89    HG3  GLN  10           HG1      GLN  10  18.532  -7.145   8.175
   90   HE21  GLN  10          HE21      GLN  10  19.854  -5.438   8.908
   91    H    PHE  11           HN       PHE  11  18.749 -10.122   4.479
   92    HA   PHE  11           HA       PHE  11  20.192 -11.218   3.247
   93    HB2  PHE  11           HB2      PHE  11  22.120 -11.140   5.670
   94    HB3  PHE  11           HB1      PHE  11  22.564 -11.717   4.005
   95    HD1  PHE  11           HD1      PHE  11  22.316  -8.999   6.161
   96    HD2  PHE  11           HD2      PHE  11  22.103 -10.091   2.094
   97    HE1  PHE  11           HE1      PHE  11  22.730  -6.685   5.541
   98    HE2  PHE  11           HE2      PHE  11  22.521  -7.785   1.441
   99    HZ   PHE  11           HZ       PHE  11  22.847  -6.052   3.159
  100    H    ILE  12           HN       ILE  12  20.916 -12.665   6.493
  101    HA   ILE  12           HA       ILE  12  20.555 -15.292   5.364
  102    HB   ILE  12           HB       ILE  12  20.824 -14.427   8.292
  103   HG12  ILE  12          HG12      ILE  12  23.280 -15.290   7.832
  104   HG13  ILE  12          HG11      ILE  12  22.906 -14.973   6.099
  105   HG21  ILE  12          HG21      ILE  12  20.814 -17.084   6.753
  106   HG22  ILE  12          HG22      ILE  12  20.065 -16.659   8.339
  107   HG23  ILE  12          HG23      ILE  12  21.845 -16.934   8.226
  108   HD11  ILE  12          HD11      ILE  12  22.201 -12.763   8.072
  109   HD12  ILE  12          HD12      ILE  12  22.859 -12.670   6.381
  110   HD13  ILE  12          HD13      ILE  12  23.959 -13.076   7.737
  111    H    LEU  13           HN       LEU  13  19.017 -13.048   7.656
  112    HA   LEU  13           HA       LEU  13  16.985 -14.967   8.185
  113    HB2  LEU  13           HB2      LEU  13  16.820 -12.062   8.992
  114    HB3  LEU  13           HB1      LEU  13  16.218 -13.512   9.866
  115    HG   LEU  13           HG       LEU  13  19.071 -12.465   9.585
  116   HD11  LEU  13          HD11      LEU  13  18.930 -12.472  12.093
  117   HD12  LEU  13          HD12      LEU  13  17.252 -13.121  11.999
  118   HD13  LEU  13          HD13      LEU  13  17.619 -11.487  11.340
  119   HD21  LEU  13          HD21      LEU  13  18.747 -14.916  11.294
  120   HD22  LEU  13          HD22      LEU  13  20.062 -14.455  10.146
  121   HD23  LEU  13          HD23      LEU  13  18.553 -15.232   9.529
  122    H    GLN  14           HN       GLN  14  17.363 -11.761   6.621
  123    HA   GLN  14           HA       GLN  14  16.133 -10.696   5.103
  124    HB2  GLN  14           HB2      GLN  14  14.814 -13.414   4.528
  125    HB3  GLN  14           HB1      GLN  14  14.653 -11.940   3.511
  126    HG2  GLN  14           HG2      GLN  14  17.135 -11.973   3.071
  127    HG3  GLN  14           HG1      GLN  14  17.273 -13.484   4.058
  128   HE21  GLN  14          HE21      GLN  14  17.346 -15.288   2.817
  129   HE22  GLN  14          HE22      GLN  14  16.480 -15.546   1.341
  130    H    ARG  15           HN       ARG  15  15.283 -10.341   7.691
  131    HA   ARG  15           HA       ARG  15  12.399 -10.808   7.591
  132    HB2  ARG  15           HB2      ARG  15  14.284  -9.856   9.824
  133    HB3  ARG  15           HB1      ARG  15  12.495  -9.781   9.971
  134    HG2  ARG  15           HG2      ARG  15  13.985 -12.392   9.348
  135    HG3  ARG  15           HG1      ARG  15  13.696 -11.821  11.026
  136    HD2  ARG  15           HD2      ARG  15  11.804 -13.210  10.710
  137    HD3  ARG  15           HD1      ARG  15  11.127 -11.624  10.138
  138    HE   ARG  15           HE       ARG  15  11.112 -12.474   7.931
  139   HH11  ARG  15          HH11      ARG  15  13.047 -14.556  10.086
  140   HH12  ARG  15          HH12      ARG  15  13.279 -15.810   8.915
  141   HH21  ARG  15          HH21      ARG  15  11.433 -14.179   6.345
  142   HH22  ARG  15          HH22      ARG  15  12.347 -15.590   6.754
  143    H    LYS  16           HN       LYS  16  10.954  -9.120   7.276
  144    HA   LYS  16           HA       LYS  16  12.230  -6.563   6.701
  145    HB2  LYS  16           HB2      LYS  16   9.264  -7.093   6.292
  146    HB3  LYS  16           HB1      LYS  16  10.355  -6.004   5.364
  147    HG2  LYS  16           HG2      LYS  16  10.347  -7.639   3.786
  148    HG3  LYS  16           HG1      LYS  16  11.511  -8.476   4.868
  149    HD2  LYS  16           HD2      LYS  16   9.782  -9.851   5.842
  150    HD3  LYS  16           HD1      LYS  16   8.473  -8.844   5.131
  151    HE2  LYS  16           HE2      LYS  16   9.155  -9.590   2.823
  152    HE3  LYS  16           HE1      LYS  16  10.462 -10.614   3.552
  153    HZ1  LYS  16           HZ1      LYS  16   8.063 -11.177   4.866
  154    HZ2  LYS  16           HZ2      LYS  16   8.977 -12.172   3.838
  155    HZ3  LYS  16           HZ3      LYS  16   7.746 -11.195   3.199
  156    H    LYS  17           HN       LYS  17  10.648  -8.278   9.135
  157    HA   LYS  17           HA       LYS  17   9.348  -5.922  10.230
  158    HB2  LYS  17           HB2      LYS  17   9.608  -8.799  11.290
  159    HB3  LYS  17           HB1      LYS  17   8.746  -7.480  12.158
  160    HG2  LYS  17           HG2      LYS  17   7.167  -7.235  10.235
  161    HG3  LYS  17           HG1      LYS  17   8.023  -8.552   9.361
  162    HD2  LYS  17           HD2      LYS  17   7.460 -10.141  11.224
  163    HD3  LYS  17           HD1      LYS  17   6.581  -8.824  12.074
  164    HE2  LYS  17           HE2      LYS  17   5.863  -9.886   9.256
  165    HE3  LYS  17           HE1      LYS  17   5.025 -10.348  10.797
  166    HZ1  LYS  17           HZ1      LYS  17   3.775  -8.596  10.491
  167    HZ2  LYS  17           HZ2      LYS  17   4.696  -8.055   9.170
  168    HZ3  LYS  17           HZ3      LYS  17   5.119  -7.591  10.748
  Start of MODEL   16
    1    H1   GLU   1           HT1      GLU   1  34.184  -1.304  10.637
    2    H2   GLU   1           HT2      GLU   1  35.335  -0.576   9.623
    3    H3   GLU   1           HT3      GLU   1  34.510  -1.967   9.106
    4    HA   GLU   1           HA       GLU   1  32.936   0.359   9.850
    5    HB2  GLU   1           HB2      GLU   1  33.172   1.351   7.568
    6    HB3  GLU   1           HB1      GLU   1  34.740   1.343   8.450
    7    HG2  GLU   1           HG2      GLU   1  35.412  -0.765   7.211
    8    HG3  GLU   1           HG1      GLU   1  33.864  -0.686   6.280
    9    H    MET   2           HN       MET   2  32.626  -2.657   9.698
   10    HA   MET   2           HA       MET   2  30.442  -2.591   7.745
   11    HB2  MET   2           HB2      MET   2  32.390  -4.905   8.272
   12    HB3  MET   2           HB1      MET   2  30.815  -5.107   7.426
   13    HG2  MET   2           HG2      MET   2  31.556  -3.506   5.658
   14    HG3  MET   2           HG1      MET   2  33.117  -3.276   6.505
   15    HE1  MET   2           HE1      MET   2  32.603  -4.041   3.460
   16    HE2  MET   2           HE2      MET   2  33.981  -5.164   3.200
   17    HE3  MET   2           HE3      MET   2  34.200  -3.693   4.210
   18    H    ARG   3           HN       ARG   3  28.629  -3.898   8.303
   19    HA   ARG   3           HA       ARG   3  28.799  -5.123  10.906
   20    HB2  ARG   3           HB2      ARG   3  26.843  -4.172  11.816
   21    HB3  ARG   3           HB1      ARG   3  27.699  -2.748  11.138
   22    HG2  ARG   3           HG2      ARG   3  25.365  -4.273   9.826
   23    HG3  ARG   3           HG1      ARG   3  25.244  -2.707  10.688
   24    HD2  ARG   3           HD2      ARG   3  27.315  -2.554   8.572
   25    HD3  ARG   3           HD1      ARG   3  25.711  -3.082   7.884
   26    HE   ARG   3           HE       ARG   3  25.171  -0.923   9.661
   27   HH11  ARG   3          HH11      ARG   3  27.057  -1.581   6.713
   28   HH12  ARG   3          HH12      ARG   3  26.916   0.024   6.078
   29   HH21  ARG   3          HH21      ARG   3  24.977   1.261   8.799
   30   HH22  ARG   3          HH22      ARG   3  25.712   1.668   7.285
   31    H    LEU   4           HN       LEU   4  28.523  -7.127  10.446
   32    HA   LEU   4           HA       LEU   4  26.349  -7.654   8.562
   33    HB2  LEU   4           HB2      LEU   4  28.739  -9.484   9.071
   34    HB3  LEU   4           HB1      LEU   4  27.555  -9.568   7.710
   35    HG   LEU   4           HG       LEU   4  29.617  -7.432   8.260
   36   HD11  LEU   4          HD11      LEU   4  30.737  -8.206   6.189
   37   HD12  LEU   4          HD12      LEU   4  29.446  -9.440   5.932
   38   HD13  LEU   4          HD13      LEU   4  30.548  -9.570   7.355
   39   HD21  LEU   4          HD21      LEU   4  28.609  -5.994   6.808
   40   HD22  LEU   4          HD22      LEU   4  27.147  -7.039   6.951
   41   HD23  LEU   4          HD23      LEU   4  28.311  -7.294   5.591
   42    H    SER   5           HN       SER   5  27.741  -8.176  11.728
   43    HA   SER   5           HA       SER   5  26.424 -10.678  12.016
   44    HB2  SER   5           HB2      SER   5  26.824 -10.503  14.438
   45    HB3  SER   5           HB1      SER   5  28.337 -10.162  13.507
   46    HG   SER   5           HG       SER   5  26.732  -8.496  15.053
   47    H    DAB   6           HN       DAB   6  25.620  -7.520  11.773
   48    HA   DAB   6           HA       DAB   6  23.279  -7.272  13.258
   49    HB2  DAB   6           HB1      DAB   6  23.944  -5.945  10.592
   50    HB3  DAB   6           HB2      DAB   6  24.904  -5.506  12.049
   51    HG2  DAB   6           HG2      DAB   6  23.171  -4.400  13.058
   52    HG3  DAB   6           HG1      DAB   6  22.752  -4.116  11.335
   53    H    PHE   7           HN       PHE   7  24.433  -8.184  10.124
   54    HA   PHE   7           HA       PHE   7  21.900  -8.407   8.977
   55    HB2  PHE   7           HB2      PHE   7  24.654  -9.448   8.378
   56    HB3  PHE   7           HB1      PHE   7  23.264 -10.025   7.444
   57    HD1  PHE   7           HD1      PHE   7  24.354  -6.687   8.688
   58    HD2  PHE   7           HD2      PHE   7  23.363  -9.098   5.341
   59    HE1  PHE   7           HE1      PHE   7  24.638  -4.777   7.213
   60    HE2  PHE   7           HE2      PHE   7  23.637  -7.177   3.879
   61    HZ   PHE   7           HZ       PHE   7  24.265  -5.045   4.843
   62    H    PHE   8           HN       PHE   8  23.815 -10.240  11.278
   63    HA   PHE   8           HA       PHE   8  22.113 -12.496  10.501
   64    HB2  PHE   8           HB2      PHE   8  24.619 -12.468  12.335
   65    HB3  PHE   8           HB1      PHE   8  23.805 -13.964  11.621
   66    HD1  PHE   8           HD1      PHE   8  26.687 -12.395  11.046
   67    HD2  PHE   8           HD2      PHE   8  22.949 -12.885   9.121
   68    HE1  PHE   8           HE1      PHE   8  27.592 -11.475   8.966
   69    HE2  PHE   8           HE2      PHE   8  23.690 -11.937   7.197
   70    HZ   PHE   8           HZ       PHE   8  26.131 -11.315   6.947
   71    H    ARG   9           HN       ARG   9  21.103 -10.334  11.292
   72    HA   ARG   9           HA       ARG   9  19.390 -11.331  13.292
   73    HB2  ARG   9           HB2      ARG   9  19.541  -8.705  14.238
   74    HB3  ARG   9           HB1      ARG   9  20.176 -10.145  15.097
   75    HG2  ARG   9           HG2      ARG   9  22.158  -9.319  13.164
   76    HG3  ARG   9           HG1      ARG   9  21.596  -7.861  14.051
   77    HD2  ARG   9           HD2      ARG   9  22.509 -10.478  15.368
   78    HD3  ARG   9           HD1      ARG   9  23.568  -9.007  15.115
   79    HE   ARG   9           HE       ARG   9  21.293  -8.025  16.448
   80   HH11  ARG   9          HH11      ARG   9  23.694 -10.598  16.997
   81   HH12  ARG   9          HH12      ARG   9  23.638 -10.496  18.726
   82   HH21  ARG   9          HH21      ARG   9  21.215  -7.884  18.800
   83   HH22  ARG   9          HH22      ARG   9  22.203  -8.925  19.767
   84    H    GLN  10           HN       GLN  10  20.390  -9.301  10.559
   85    HA   GLN  10           HA       GLN  10  17.584  -8.759  10.130
   86    HB2  GLN  10           HB2      GLN  10  19.269  -6.394   9.398
   87    HB3  GLN  10           HB1      GLN  10  17.643  -6.426  10.150
   88    HG2  GLN  10           HG2      GLN  10  18.523  -5.887  12.187
   89    HG3  GLN  10           HG1      GLN  10  19.612  -7.318  12.142
   90   HE21  GLN  10          HE21      GLN  10  21.423  -6.254  13.048
   91    H    PHE  11           HN       PHE  11  17.568  -7.351   7.851
   92    HA   PHE  11           HA       PHE  11  18.028  -7.293   5.716
   93    HB2  PHE  11           HB2      PHE  11  20.816  -8.450   6.413
   94    HB3  PHE  11           HB1      PHE  11  20.328  -7.802   4.787
   95    HD1  PHE  11           HD1      PHE  11  21.700  -7.065   7.874
   96    HD2  PHE  11           HD2      PHE  11  19.327  -5.424   4.806
   97    HE1  PHE  11           HE1      PHE  11  22.232  -4.841   8.692
   98    HE2  PHE  11           HE2      PHE  11  19.860  -3.179   5.581
   99    HZ   PHE  11           HZ       PHE  11  21.325  -2.860   7.536
  100    H    ILE  12           HN       ILE  12  19.908 -10.270   6.533
  101    HA   ILE  12           HA       ILE  12  18.598 -11.696   4.421
  102    HB   ILE  12           HB       ILE  12  20.273 -12.738   6.769
  103   HG12  ILE  12          HG12      ILE  12  22.044 -12.835   4.805
  104   HG13  ILE  12          HG11      ILE  12  21.007 -11.589   4.017
  105   HG21  ILE  12          HG21      ILE  12  20.662 -14.551   4.785
  106   HG22  ILE  12          HG22      ILE  12  19.060 -13.941   4.222
  107   HG23  ILE  12          HG23      ILE  12  19.227 -14.647   5.874
  108   HD11  ILE  12          HD11      ILE  12  21.560  -9.950   5.560
  109   HD12  ILE  12          HD12      ILE  12  23.028 -10.966   5.741
  110   HD13  ILE  12          HD13      ILE  12  21.671 -11.121   6.945
  111    H    LEU  13           HN       LEU  13  18.606 -11.575   7.969
  112    HA   LEU  13           HA       LEU  13  16.776 -13.737   8.089
  113    HB2  LEU  13           HB2      LEU  13  17.403 -11.885  10.397
  114    HB3  LEU  13           HB1      LEU  13  17.042 -13.647  10.434
  115    HG   LEU  13           HG       LEU  13  19.589 -12.212   9.556
  116   HD11  LEU  13          HD11      LEU  13  18.988 -14.411  11.650
  117   HD12  LEU  13          HD12      LEU  13  19.249 -12.662  11.977
  118   HD13  LEU  13          HD13      LEU  13  20.599 -13.670  11.332
  119   HD21  LEU  13          HD21      LEU  13  19.693 -15.215   9.470
  120   HD22  LEU  13          HD22      LEU  13  20.400 -13.989   8.351
  121   HD23  LEU  13          HD23      LEU  13  18.676 -14.489   8.172
  122    H    GLN  14           HN       GLN  14  16.784 -10.185   8.364
  123    HA   GLN  14           HA       GLN  14  14.097 -10.062   9.286
  124    HB2  GLN  14           HB2      GLN  14  15.731  -8.133   9.532
  125    HB3  GLN  14           HB1      GLN  14  15.688  -7.931   7.746
  126    HG2  GLN  14           HG2      GLN  14  13.244  -7.406   7.838
  127    HG3  GLN  14           HG1      GLN  14  13.252  -7.648   9.633
  128   HE21  GLN  14          HE21      GLN  14  12.417  -5.221   9.054
  129   HE22  GLN  14          HE22      GLN  14  13.641  -4.008   9.220
  130    H    ARG  15           HN       ARG  15  12.178 -10.188   8.132
  131    HA   ARG  15           HA       ARG  15  12.464 -10.016   5.217
  132    HB2  ARG  15           HB2      ARG  15  10.745 -12.002   6.821
  133    HB3  ARG  15           HB1      ARG  15  10.593 -11.735   5.049
  134    HG2  ARG  15           HG2      ARG  15  12.964 -12.474   4.732
  135    HG3  ARG  15           HG1      ARG  15  13.109 -12.757   6.502
  136    HD2  ARG  15           HD2      ARG  15  11.293 -14.500   6.382
  137    HD3  ARG  15           HD1      ARG  15  11.157 -14.220   4.589
  138    HE   ARG  15           HE       ARG  15  13.910 -14.757   5.220
  139   HH11  ARG  15          HH11      ARG  15  10.699 -16.300   5.205
  140   HH12  ARG  15          HH12      ARG  15  11.296 -17.895   4.894
  141   HH21  ARG  15          HH21      ARG  15  14.723 -16.925   4.797
  142   HH22  ARG  15          HH22      ARG  15  13.624 -18.257   4.660
  143    H    LYS  16           HN       LYS  16  10.610  -9.095   4.137
  144    HA   LYS  16           HA       LYS  16   9.084  -7.434   5.967
  145    HB2  LYS  16           HB2      LYS  16   8.874  -7.424   2.916
  146    HB3  LYS  16           HB1      LYS  16   8.484  -6.091   4.062
  147    HG2  LYS  16           HG2      LYS  16  10.534  -5.261   3.564
  148    HG3  LYS  16           HG1      LYS  16  11.172  -6.572   4.616
  149    HD2  LYS  16           HD2      LYS  16  11.623  -8.013   2.738
  150    HD3  LYS  16           HD1      LYS  16  10.652  -6.994   1.619
  151    HE2  LYS  16           HE2      LYS  16  12.329  -5.141   1.830
  152    HE3  LYS  16           HE1      LYS  16  13.300  -6.151   2.983
  153    HZ1  LYS  16           HZ1      LYS  16  14.038  -7.437   1.338
  154    HZ2  LYS  16           HZ2      LYS  16  13.696  -6.081   0.375
  155    HZ3  LYS  16           HZ3      LYS  16  12.601  -7.377   0.436
  156    H    LYS  17           HN       LYS  17   8.954 -10.404   4.373
  157    HA   LYS  17           HA       LYS  17   6.137 -10.346   3.832
  158    HB2  LYS  17           HB2      LYS  17   7.999 -11.872   2.692
  159    HB3  LYS  17           HB1      LYS  17   7.778 -12.904   4.148
  160    HG2  LYS  17           HG2      LYS  17   5.298 -13.016   3.638
  161    HG3  LYS  17           HG1      LYS  17   5.602 -12.088   2.128
  162    HD2  LYS  17           HD2      LYS  17   6.962 -14.771   2.796
  163    HD3  LYS  17           HD1      LYS  17   5.436 -14.630   1.858
  164    HE2  LYS  17           HE2      LYS  17   6.648 -13.206   0.146
  165    HE3  LYS  17           HE1      LYS  17   8.185 -13.444   1.077
  166    HZ1  LYS  17           HZ1      LYS  17   7.302 -15.026  -0.886
  167    HZ2  LYS  17           HZ2      LYS  17   6.727 -15.867   0.473
  168    HZ3  LYS  17           HZ3      LYS  17   8.380 -15.504   0.336
  Start of MODEL   17
    1    H1   GLU   1           HT1      GLU   1  33.174   0.344   7.627
    2    H2   GLU   1           HT2      GLU   1  32.910   0.405   5.951
    3    H3   GLU   1           HT3      GLU   1  32.653  -1.044   6.797
    4    HA   GLU   1           HA       GLU   1  31.081   0.708   8.110
    5    HB2  GLU   1           HB2      GLU   1  30.830   1.150   5.075
    6    HB3  GLU   1           HB1      GLU   1  29.703   1.801   6.314
    7    HG2  GLU   1           HG2      GLU   1  32.704   2.521   6.069
    8    HG3  GLU   1           HG1      GLU   1  31.318   3.554   5.542
    9    H    MET   2           HN       MET   2  31.199  -1.932   8.292
   10    HA   MET   2           HA       MET   2  28.785  -2.794   6.872
   11    HB2  MET   2           HB2      MET   2  31.287  -4.486   7.455
   12    HB3  MET   2           HB1      MET   2  29.723  -5.144   6.860
   13    HG2  MET   2           HG2      MET   2  29.920  -3.780   4.785
   14    HG3  MET   2           HG1      MET   2  31.467  -3.091   5.373
   15    HE1  MET   2           HE1      MET   2  30.977  -4.409   2.565
   16    HE2  MET   2           HE2      MET   2  32.540  -5.275   2.366
   17    HE3  MET   2           HE3      MET   2  32.502  -3.653   3.142
   18    H    ARG   3           HN       ARG   3  27.431  -4.231   8.091
   19    HA   ARG   3           HA       ARG   3  28.277  -4.564  10.839
   20    HB2  ARG   3           HB2      ARG   3  25.935  -4.053  11.591
   21    HB3  ARG   3           HB1      ARG   3  26.811  -2.601  10.989
   22    HG2  ARG   3           HG2      ARG   3  24.926  -4.288   9.250
   23    HG3  ARG   3           HG1      ARG   3  24.365  -2.877  10.202
   24    HD2  ARG   3           HD2      ARG   3  26.691  -2.048   8.634
   25    HD3  ARG   3           HD1      ARG   3  25.523  -2.923   7.537
   26    HE   ARG   3           HE       ARG   3  23.976  -1.153   9.145
   27   HH11  ARG   3          HH11      ARG   3  26.638  -1.014   6.779
   28   HH12  ARG   3          HH12      ARG   3  26.199   0.536   6.146
   29   HH21  ARG   3          HH21      ARG   3  23.380   0.957   8.283
   30   HH22  ARG   3          HH22      ARG   3  24.315   1.675   7.015
   31    H    LEU   4           HN       LEU   4  28.734  -6.509   9.655
   32    HA   LEU   4           HA       LEU   4  26.343  -7.947   8.989
   33    HB2  LEU   4           HB2      LEU   4  29.305  -8.616   8.662
   34    HB3  LEU   4           HB1      LEU   4  27.934  -9.597   7.987
   35    HG   LEU   4           HG       LEU   4  28.372  -6.659   7.550
   36   HD11  LEU   4          HD11      LEU   4  30.196  -7.875   6.392
   37   HD12  LEU   4          HD12      LEU   4  29.034  -7.248   5.162
   38   HD13  LEU   4          HD13      LEU   4  29.004  -8.993   5.625
   39   HD21  LEU   4          HD21      LEU   4  26.245  -8.582   6.575
   40   HD22  LEU   4          HD22      LEU   4  26.688  -7.153   5.564
   41   HD23  LEU   4          HD23      LEU   4  26.089  -6.913   7.256
   42    H    SER   5           HN       SER   5  25.797  -7.790  11.150
   43    HA   SER   5           HA       SER   5  26.225 -10.310  12.385
   44    HB2  SER   5           HB2      SER   5  26.668  -9.382  14.679
   45    HB3  SER   5           HB1      SER   5  28.070  -9.247  13.543
   46    HG   SER   5           HG       SER   5  27.597  -7.326  14.742
   47    H    DAB   6           HN       DAB   6  24.886  -7.196  12.038
   48    HA   DAB   6           HA       DAB   6  22.626  -7.351  13.607
   49    HB2  DAB   6           HB1      DAB   6  22.876  -6.098  10.828
   50    HB3  DAB   6           HB2      DAB   6  23.762  -5.373  12.214
   51    HG2  DAB   6           HG2      DAB   6  21.825  -4.640  13.275
   52    HG3  DAB   6           HG1      DAB   6  21.388  -4.444  11.541
   53    H    PHE   7           HN       PHE   7  23.797  -8.169  10.545
   54    HA   PHE   7           HA       PHE   7  21.511  -8.920   9.239
   55    HB2  PHE   7           HB2      PHE   7  24.455  -9.513   9.123
   56    HB3  PHE   7           HB1      PHE   7  23.323 -10.372   8.019
   57    HD1  PHE   7           HD1      PHE   7  23.768  -6.849   9.176
   58    HD2  PHE   7           HD2      PHE   7  23.407  -9.519   5.904
   59    HE1  PHE   7           HE1      PHE   7  23.897  -4.980   7.623
   60    HE2  PHE   7           HE2      PHE   7  23.530  -7.649   4.364
   61    HZ   PHE   7           HZ       PHE   7  23.775  -5.411   5.250
   62    H    PHE   8           HN       PHE   8  23.413 -10.462  11.775
   63    HA   PHE   8           HA       PHE   8  22.133 -12.926  10.871
   64    HB2  PHE   8           HB2      PHE   8  24.560 -12.450  12.740
   65    HB3  PHE   8           HB1      PHE   8  24.009 -14.098  12.092
   66    HD1  PHE   8           HD1      PHE   8  26.442 -11.816  11.408
   67    HD2  PHE   8           HD2      PHE   8  23.035 -13.528   9.579
   68    HE1  PHE   8           HE1      PHE   8  27.050 -10.825   9.267
   69    HE2  PHE   8           HE2      PHE   8  23.545 -12.540   7.553
   70    HZ   PHE   8           HZ       PHE   8  25.667 -11.252   7.263
   71    H    ARG   9           HN       ARG   9  20.909 -10.795  11.683
   72    HA   ARG   9           HA       ARG   9  19.269 -12.010  13.646
   73    HB2  ARG   9           HB2      ARG   9  19.648  -9.097  14.071
   74    HB3  ARG   9           HB1      ARG   9  19.218 -10.380  15.254
   75    HG2  ARG   9           HG2      ARG   9  21.446 -10.946  15.677
   76    HG3  ARG   9           HG1      ARG   9  22.014 -10.419  14.049
   77    HD2  ARG   9           HD2      ARG   9  22.700  -8.520  15.026
   78    HD3  ARG   9           HD1      ARG   9  20.937  -8.102  15.149
   79    HE   ARG   9           HE       ARG   9  21.606  -9.755  17.396
   80   HH11  ARG   9          HH11      ARG   9  22.320  -6.552  16.013
   81   HH12  ARG   9          HH12      ARG   9  22.607  -5.785  17.538
   82   HH21  ARG   9          HH21      ARG   9  21.998  -8.714  19.472
   83   HH22  ARG   9          HH22      ARG   9  22.421  -7.037  19.540
   84    H    GLN  10           HN       GLN  10  20.006  -9.946  10.847
   85    HA   GLN  10           HA       GLN  10  17.175  -9.902  10.294
   86    HB2  GLN  10           HB2      GLN  10  18.336  -7.249   9.622
   87    HB3  GLN  10           HB1      GLN  10  16.764  -7.625  10.397
   88    HG2  GLN  10           HG2      GLN  10  17.548  -6.878  12.400
   89    HG3  GLN  10           HG1      GLN  10  18.857  -8.110  12.374
   90   HE21  GLN  10          HE21      GLN  10  20.471  -6.785  13.247
   91    H    PHE  11           HN       PHE  11  16.987  -8.530   8.010
   92    HA   PHE  11           HA       PHE  11  17.599  -8.300   5.914
   93    HB2  PHE  11           HB2      PHE  11  20.487  -9.070   6.744
   94    HB3  PHE  11           HB1      PHE  11  19.996  -8.446   5.112
   95    HD1  PHE  11           HD1      PHE  11  21.305  -7.586   8.127
   96    HD2  PHE  11           HD2      PHE  11  18.485  -6.259   5.291
   97    HE1  PHE  11           HE1      PHE  11  21.511  -5.330   9.012
   98    HE2  PHE  11           HE2      PHE  11  18.681  -3.989   6.142
   99    HZ   PHE  11           HZ       PHE  11  20.204  -3.496   8.013
  100    H    ILE  12           HN       ILE  12  19.727 -11.032   6.973
  101    HA   ILE  12           HA       ILE  12  18.746 -12.610   4.771
  102    HB   ILE  12           HB       ILE  12  20.469 -13.420   7.170
  103   HG12  ILE  12          HG12      ILE  12  22.332 -13.212   5.320
  104   HG13  ILE  12          HG11      ILE  12  21.165 -12.143   4.463
  105   HG21  ILE  12          HG21      ILE  12  19.753 -15.440   6.202
  106   HG22  ILE  12          HG22      ILE  12  21.205 -15.115   5.183
  107   HG23  ILE  12          HG23      ILE  12  19.558 -14.732   4.553
  108   HD11  ILE  12          HD11      ILE  12  21.434 -10.420   5.975
  109   HD12  ILE  12          HD12      ILE  12  22.976 -11.258   6.335
  110   HD13  ILE  12          HD13      ILE  12  21.535 -11.534   7.402
  111    H    LEU  13           HN       LEU  13  18.612 -12.459   8.329
  112    HA   LEU  13           HA       LEU  13  17.076 -14.845   8.387
  113    HB2  LEU  13           HB2      LEU  13  17.360 -12.926  10.716
  114    HB3  LEU  13           HB1      LEU  13  17.183 -14.715  10.749
  115    HG   LEU  13           HG       LEU  13  19.615 -13.033   9.979
  116   HD11  LEU  13          HD11      LEU  13  19.248 -13.442  12.387
  117   HD12  LEU  13          HD12      LEU  13  20.674 -14.397  11.827
  118   HD13  LEU  13          HD13      LEU  13  19.094 -15.214  12.113
  119   HD21  LEU  13          HD21      LEU  13  20.227 -15.909   9.966
  120   HD22  LEU  13          HD22      LEU  13  20.488 -14.679   8.674
  121   HD23  LEU  13          HD23      LEU  13  18.926 -15.575   8.765
  122    H    GLN  14           HN       GLN  14  16.563 -11.360   9.236
  123    HA   GLN  14           HA       GLN  14  13.685 -11.923   8.988
  124    HB2  GLN  14           HB2      GLN  14  14.420 -10.912  11.197
  125    HB3  GLN  14           HB1      GLN  14  15.078  -9.509  10.285
  126    HG2  GLN  14           HG2      GLN  14  12.793  -8.943   9.442
  127    HG3  GLN  14           HG1      GLN  14  12.109 -10.379  10.305
  128   HE21  GLN  14          HE21      GLN  14  10.964  -8.087  11.062
  129   HE22  GLN  14          HE22      GLN  14  11.551  -7.519  12.588
  130    H    ARG  15           HN       ARG  15  12.834 -11.369   7.024
  131    HA   ARG  15           HA       ARG  15  14.345  -9.559   5.379
  132    HB2  ARG  15           HB2      ARG  15  11.556 -10.772   4.920
  133    HB3  ARG  15           HB1      ARG  15  12.526  -9.881   3.696
  134    HG2  ARG  15           HG2      ARG  15  14.323 -11.664   3.900
  135    HG3  ARG  15           HG1      ARG  15  13.233 -12.579   4.998
  136    HD2  ARG  15           HD2      ARG  15  12.956 -13.522   2.751
  137    HD3  ARG  15           HD1      ARG  15  11.466 -12.528   3.083
  138    HE   ARG  15           HE       ARG  15  13.472 -10.874   1.813
  139   HH11  ARG  15          HH11      ARG  15  11.239 -13.585   1.226
  140   HH12  ARG  15          HH12      ARG  15  11.015 -13.238  -0.457
  141   HH21  ARG  15          HH21      ARG  15  13.170 -10.402  -0.476
  142   HH22  ARG  15          HH22      ARG  15  12.133 -11.398  -1.439
  143    H    LYS  16           HN       LYS  16  13.499  -7.526   4.534
  144    HA   LYS  16           HA       LYS  16  12.160  -6.072   6.557
  145    HB2  LYS  16           HB2      LYS  16  12.046  -4.251   4.694
  146    HB3  LYS  16           HB1      LYS  16  13.673  -4.733   5.284
  147    HG2  LYS  16           HG2      LYS  16  12.566  -6.306   2.951
  148    HG3  LYS  16           HG1      LYS  16  12.990  -4.590   2.634
  149    HD2  LYS  16           HD2      LYS  16  14.940  -6.507   4.038
  150    HD3  LYS  16           HD1      LYS  16  14.823  -6.413   2.246
  151    HE2  LYS  16           HE2      LYS  16  15.294  -3.902   2.407
  152    HE3  LYS  16           HE1      LYS  16  15.577  -4.123   4.183
  153    HZ1  LYS  16           HZ1      LYS  16  17.239  -4.785   1.939
  154    HZ2  LYS  16           HZ2      LYS  16  17.077  -6.067   3.041
  155    HZ3  LYS  16           HZ3      LYS  16  17.632  -4.554   3.576
  156    H    LYS  17           HN       LYS  17  11.214  -8.013   3.867
  157    HA   LYS  17           HA       LYS  17   8.671  -6.716   3.549
  158    HB2  LYS  17           HB2      LYS  17   9.750  -9.409   2.516
  159    HB3  LYS  17           HB1      LYS  17   8.112  -8.768   2.129
  160    HG2  LYS  17           HG2      LYS  17   9.148  -6.756   1.057
  161    HG3  LYS  17           HG1      LYS  17  10.784  -7.401   1.432
  162    HD2  LYS  17           HD2      LYS  17  10.311  -9.419   0.028
  163    HD3  LYS  17           HD1      LYS  17   8.672  -8.779  -0.342
  164    HE2  LYS  17           HE2      LYS  17   9.701  -6.781  -1.469
  165    HE3  LYS  17           HE1      LYS  17  11.354  -7.425  -1.090
  166    HZ1  LYS  17           HZ1      LYS  17  11.217  -8.600  -2.911
  167    HZ2  LYS  17           HZ2      LYS  17   9.635  -8.063  -3.217
  168    HZ3  LYS  17           HZ3      LYS  17   9.893  -9.465  -2.295
  Start of MODEL   18
    1    H1   GLU   1           HT1      GLU   1  33.340   0.040   8.872
    2    H2   GLU   1           HT2      GLU   1  33.395  -1.312   7.846
    3    H3   GLU   1           HT3      GLU   1  32.230  -1.230   9.078
    4    HA   GLU   1           HA       GLU   1  31.717   1.018   7.771
    5    HB2  GLU   1           HB2      GLU   1  33.390   0.437   5.995
    6    HB3  GLU   1           HB1      GLU   1  32.534  -1.116   5.712
    7    HG2  GLU   1           HG2      GLU   1  31.906   0.492   3.944
    8    HG3  GLU   1           HG1      GLU   1  30.465   0.190   4.991
    9    H    MET   2           HN       MET   2  31.320  -2.565   7.627
   10    HA   MET   2           HA       MET   2  28.443  -2.072   7.817
   11    HB2  MET   2           HB2      MET   2  29.766  -4.217   6.062
   12    HB3  MET   2           HB1      MET   2  28.008  -4.131   6.441
   13    HG2  MET   2           HG2      MET   2  27.864  -1.909   5.317
   14    HG3  MET   2           HG1      MET   2  29.619  -1.959   4.962
   15    HE1  MET   2           HE1      MET   2  29.207  -1.435   2.492
   16    HE2  MET   2           HE2      MET   2  27.469  -1.296   2.927
   17    HE3  MET   2           HE3      MET   2  27.960  -2.238   1.477
   18    H    ARG   3           HN       ARG   3  27.284  -3.981   8.643
   19    HA   ARG   3           HA       ARG   3  28.925  -5.141  10.691
   20    HB2  ARG   3           HB2      ARG   3  26.502  -6.016  11.398
   21    HB3  ARG   3           HB1      ARG   3  26.997  -4.325  11.755
   22    HG2  ARG   3           HG2      ARG   3  25.581  -4.956   9.118
   23    HG3  ARG   3           HG1      ARG   3  24.635  -4.825  10.627
   24    HD2  ARG   3           HD2      ARG   3  26.590  -2.575   9.977
   25    HD3  ARG   3           HD1      ARG   3  25.048  -2.708   9.006
   26    HE   ARG   3           HE       ARG   3  24.337  -2.991  11.756
   27   HH11  ARG   3          HH11      ARG   3  25.831  -0.606   9.572
   28   HH12  ARG   3          HH12      ARG   3  25.250   0.778  10.434
   29   HH21  ARG   3          HH21      ARG   3  23.545  -1.108  12.929
   30   HH22  ARG   3          HH22      ARG   3  23.928   0.487  12.375
   31    H    LEU   4           HN       LEU   4  26.116  -6.424   8.968
   32    HA   LEU   4           HA       LEU   4  25.801  -8.249   7.848
   33    HB2  LEU   4           HB2      LEU   4  28.819  -8.469   7.479
   34    HB3  LEU   4           HB1      LEU   4  27.515  -9.099   6.378
   35    HG   LEU   4           HG       LEU   4  28.118  -6.253   7.128
   36   HD11  LEU   4          HD11      LEU   4  29.675  -6.551   5.443
   37   HD12  LEU   4          HD12      LEU   4  28.253  -6.212   4.387
   38   HD13  LEU   4          HD13      LEU   4  28.762  -7.915   4.694
   39   HD21  LEU   4          HD21      LEU   4  25.780  -6.163   6.985
   40   HD22  LEU   4          HD22      LEU   4  25.716  -7.390   5.652
   41   HD23  LEU   4          HD23      LEU   4  26.287  -5.715   5.304
   42    H    SER   5           HN       SER   5  26.136  -8.215  10.566
   43    HA   SER   5           HA       SER   5  26.403 -11.076  10.877
   44    HB2  SER   5           HB2      SER   5  27.466 -10.790  13.138
   45    HB3  SER   5           HB1      SER   5  28.555 -10.392  11.749
   46    HG   SER   5           HG       SER   5  28.734  -8.512  12.577
   47    H    DAB   6           HN       DAB   6  25.523  -7.917  11.861
   48    HA   DAB   6           HA       DAB   6  23.537  -8.363  13.708
   49    HB2  DAB   6           HB1      DAB   6  23.465  -6.271  11.481
   50    HB3  DAB   6           HB2      DAB   6  24.772  -6.171  12.715
   51    HG2  DAB   6           HG2      DAB   6  23.338  -5.568  14.424
   52    HG3  DAB   6           HG1      DAB   6  22.479  -4.837  13.022
   53    H    PHE   7           HN       PHE   7  24.018  -8.333  10.352
   54    HA   PHE   7           HA       PHE   7  21.410  -8.387   9.466
   55    HB2  PHE   7           HB2      PHE   7  24.115  -9.207   8.517
   56    HB3  PHE   7           HB1      PHE   7  22.658  -9.649   7.560
   57    HD1  PHE   7           HD1      PHE   7  23.364  -6.516   9.427
   58    HD2  PHE   7           HD2      PHE   7  22.884  -8.390   5.648
   59    HE1  PHE   7           HE1      PHE   7  23.421  -4.345   8.337
   60    HE2  PHE   7           HE2      PHE   7  22.935  -6.206   4.570
   61    HZ   PHE   7           HZ       PHE   7  23.203  -4.220   5.939
   62    H    PHE   8           HN       PHE   8  23.519 -10.729  11.018
   63    HA   PHE   8           HA       PHE   8  21.686 -12.726   9.944
   64    HB2  PHE   8           HB2      PHE   8  24.578 -12.992  11.038
   65    HB3  PHE   8           HB1      PHE   8  23.609 -14.346  10.222
   66    HD1  PHE   8           HD1      PHE   8  26.083 -12.121   9.385
   67    HD2  PHE   8           HD2      PHE   8  22.102 -13.086   8.332
   68    HE1  PHE   8           HE1      PHE   8  26.214 -10.655   7.428
   69    HE2  PHE   8           HE2      PHE   8  22.179 -11.651   6.514
   70    HZ   PHE   8           HZ       PHE   8  24.292 -10.489   5.889
   71    H    ARG   9           HN       ARG   9  20.920 -10.937  11.520
   72    HA   ARG   9           HA       ARG   9  19.736 -12.539  13.517
   73    HB2  ARG   9           HB2      ARG   9  20.195 -10.299  15.118
   74    HB3  ARG   9           HB1      ARG   9  21.024 -11.878  15.312
   75    HG2  ARG   9           HG2      ARG   9  22.395 -10.372  13.243
   76    HG3  ARG   9           HG1      ARG   9  22.141  -9.304  14.664
   77    HD2  ARG   9           HD2      ARG   9  23.325 -12.133  14.805
   78    HD3  ARG   9           HD1      ARG   9  24.316 -10.598  14.697
   79    HE   ARG   9           HE       ARG   9  22.518 -10.224  16.863
   80   HH11  ARG   9          HH11      ARG   9  25.076 -12.503  15.897
   81   HH12  ARG   9          HH12      ARG   9  25.590 -12.854  17.513
   82   HH21  ARG   9          HH21      ARG   9  23.216 -10.697  19.064
   83   HH22  ARG   9          HH22      ARG   9  24.513 -11.808  19.346
   84    H    GLN  10           HN       GLN  10  20.073  -9.779  11.350
   85    HA   GLN  10           HA       GLN  10  17.254  -9.280  11.714
   86    HB2  GLN  10           HB2      GLN  10  18.731  -6.696  11.437
   87    HB3  GLN  10           HB1      GLN  10  17.323  -7.079  12.478
   88    HG2  GLN  10           HG2      GLN  10  18.647  -7.154  14.334
   89    HG3  GLN  10           HG1      GLN  10  19.733  -8.373  13.575
   90   HE21  GLN  10          HE21      GLN  10  21.714  -7.542  14.183
   91    H    PHE  11           HN       PHE  11  17.119  -6.986  10.022
   92    HA   PHE  11           HA       PHE  11  17.230  -6.349   7.924
   93    HB2  PHE  11           HB2      PHE  11  19.916  -7.892   7.852
   94    HB3  PHE  11           HB1      PHE  11  19.296  -6.875   6.483
   95    HD1  PHE  11           HD1      PHE  11  20.655  -6.888   9.830
   96    HD2  PHE  11           HD2      PHE  11  19.111  -4.524   6.698
   97    HE1  PHE  11           HE1      PHE  11  21.560  -4.912  10.907
   98    HE2  PHE  11           HE2      PHE  11  19.996  -2.524   7.765
   99    HZ   PHE  11           HZ       PHE  11  21.241  -2.694   9.882
  100    H    ILE  12           HN       ILE  12  18.899  -9.438   7.369
  101    HA   ILE  12           HA       ILE  12  17.109 -10.169   5.282
  102    HB   ILE  12           HB       ILE  12  19.165 -11.830   6.830
  103   HG12  ILE  12          HG12      ILE  12  20.498 -11.314   4.596
  104   HG13  ILE  12          HG11      ILE  12  19.386  -9.906   4.448
  105   HG21  ILE  12          HG21      ILE  12  17.897 -13.420   5.655
  106   HG22  ILE  12          HG22      ILE  12  19.071 -12.970   4.362
  107   HG23  ILE  12          HG23      ILE  12  17.411 -12.265   4.356
  108   HD11  ILE  12          HD11      ILE  12  20.581 -10.256   7.196
  109   HD12  ILE  12          HD12      ILE  12  20.406  -8.764   6.171
  110   HD13  ILE  12          HD13      ILE  12  21.765  -9.895   5.874
  111    H    LEU  13           HN       LEU  13  17.771 -11.078   8.660
  112    HA   LEU  13           HA       LEU  13  15.882 -13.198   8.467
  113    HB2  LEU  13           HB2      LEU  13  17.032 -12.122  11.065
  114    HB3  LEU  13           HB1      LEU  13  16.526 -13.806  10.673
  115    HG   LEU  13           HG       LEU  13  18.984 -12.263   9.713
  116   HD11  LEU  13          HD11      LEU  13  18.679 -14.968  11.198
  117   HD12  LEU  13          HD12      LEU  13  19.033 -13.384  11.976
  118   HD13  LEU  13          HD13      LEU  13  20.218 -14.109  10.827
  119   HD21  LEU  13          HD21      LEU  13  17.543 -14.389   8.250
  120   HD22  LEU  13          HD22      LEU  13  19.162 -14.987   8.768
  121   HD23  LEU  13          HD23      LEU  13  19.032 -13.481   7.786
  122    H    GLN  14           HN       GLN  14  16.153  -9.890   9.718
  123    HA   GLN  14           HA       GLN  14  13.812  -9.927  11.257
  124    HB2  GLN  14           HB2      GLN  14  15.535  -8.082  11.360
  125    HB3  GLN  14           HB1      GLN  14  15.007  -7.551   9.726
  126    HG2  GLN  14           HG2      GLN  14  12.716  -7.050  10.605
  127    HG3  GLN  14           HG1      GLN  14  13.219  -7.616  12.249
  128   HE21  GLN  14          HE21      GLN  14  12.378  -5.104  12.320
  129   HE22  GLN  14          HE22      GLN  14  13.670  -3.953  12.353
  130    H    ARG  15           HN       ARG  15  14.362  -9.067   7.743
  131    HA   ARG  15           HA       ARG  15  11.496  -9.538   7.428
  132    HB2  ARG  15           HB2      ARG  15  13.023  -7.141   6.248
  133    HB3  ARG  15           HB1      ARG  15  11.371  -7.639   5.746
  134    HG2  ARG  15           HG2      ARG  15  10.477  -7.168   7.983
  135    HG3  ARG  15           HG1      ARG  15  12.124  -6.845   8.622
  136    HD2  ARG  15           HD2      ARG  15  10.805  -5.188   6.363
  137    HD3  ARG  15           HD1      ARG  15  10.802  -4.723   8.123
  138    HE   ARG  15           HE       ARG  15  13.510  -5.267   7.381
  139   HH11  ARG  15          HH11      ARG  15  10.847  -3.032   6.611
  140   HH12  ARG  15          HH12      ARG  15  11.876  -1.696   6.214
  141   HH21  ARG  15          HH21      ARG  15  14.912  -3.450   6.845
  142   HH22  ARG  15          HH22      ARG  15  14.228  -1.939   6.351
  143    H    LYS  16           HN       LYS  16  10.923 -10.375   5.344
  144    HA   LYS  16           HA       LYS  16  13.270 -11.516   4.056
  145    HB2  LYS  16           HB2      LYS  16  10.420 -12.146   3.210
  146    HB3  LYS  16           HB1      LYS  16  11.871 -13.208   3.174
  147    HG2  LYS  16           HG2      LYS  16  10.268 -12.351   5.659
  148    HG3  LYS  16           HG1      LYS  16  10.298 -13.980   4.901
  149    HD2  LYS  16           HD2      LYS  16  12.779 -14.125   5.427
  150    HD3  LYS  16           HD1      LYS  16  12.655 -12.543   6.278
  151    HE2  LYS  16           HE2      LYS  16  10.963 -13.538   7.864
  152    HE3  LYS  16           HE1      LYS  16  11.148 -15.138   7.030
  153    HZ1  LYS  16           HZ1      LYS  16  12.595 -15.268   8.767
  154    HZ2  LYS  16           HZ2      LYS  16  13.078 -13.639   8.684
  155    HZ3  LYS  16           HZ3      LYS  16  13.629 -14.752   7.522
  156    H    LYS  17           HN       LYS  17  11.373  -8.778   3.871
  157    HA   LYS  17           HA       LYS  17  11.069  -8.740   1.023
  158    HB2  LYS  17           HB2      LYS  17   9.569  -7.440   2.692
  159    HB3  LYS  17           HB1      LYS  17  10.976  -6.347   2.947
  160    HG2  LYS  17           HG2      LYS  17  10.974  -5.687   0.584
  161    HG3  LYS  17           HG1      LYS  17   9.714  -6.909   0.196
  162    HD2  LYS  17           HD2      LYS  17   8.611  -4.761   0.327
  163    HD3  LYS  17           HD1      LYS  17   8.140  -5.687   1.792
  164    HE2  LYS  17           HE2      LYS  17   9.788  -4.412   3.167
  165    HE3  LYS  17           HE1      LYS  17  10.351  -3.522   1.690
  166    HZ1  LYS  17           HZ1      LYS  17   8.766  -2.093   2.097
  167    HZ2  LYS  17           HZ2      LYS  17   8.126  -3.028   3.363
  168    HZ3  LYS  17           HZ3      LYS  17   7.598  -3.281   1.768
  Start of MODEL   19
    1    H1   GLU   1           HT1      GLU   1  34.160  -1.119   7.843
    2    H2   GLU   1           HT2      GLU   1  34.447  -0.114   9.182
    3    H3   GLU   1           HT3      GLU   1  34.825   0.428   7.617
    4    HA   GLU   1           HA       GLU   1  32.455   0.710   9.036
    5    HB2  GLU   1           HB2      GLU   1  33.727   2.280   7.371
    6    HB3  GLU   1           HB1      GLU   1  32.929   1.334   6.069
    7    HG2  GLU   1           HG2      GLU   1  31.602   3.362   6.471
    8    HG3  GLU   1           HG1      GLU   1  30.658   1.952   7.093
    9    H    MET   2           HN       MET   2  32.210  -1.922   9.005
   10    HA   MET   2           HA       MET   2  30.185  -2.365   6.940
   11    HB2  MET   2           HB2      MET   2  32.316  -4.371   7.884
   12    HB3  MET   2           HB1      MET   2  30.851  -4.830   6.944
   13    HG2  MET   2           HG2      MET   2  31.581  -3.455   5.038
   14    HG3  MET   2           HG1      MET   2  32.970  -2.819   5.973
   15    HE1  MET   2           HE1      MET   2  32.241  -6.863   3.972
   16    HE2  MET   2           HE2      MET   2  31.096  -5.559   4.435
   17    HE3  MET   2           HE3      MET   2  31.618  -6.770   5.655
   18    H    ARG   3           HN       ARG   3  28.456  -3.770   7.618
   19    HA   ARG   3           HA       ARG   3  28.566  -4.513  10.395
   20    HB2  ARG   3           HB2      ARG   3  26.176  -3.697  10.688
   21    HB3  ARG   3           HB1      ARG   3  27.443  -2.409  10.681
   22    HG2  ARG   3           HG2      ARG   3  26.406  -1.395   8.954
   23    HG3  ARG   3           HG1      ARG   3  26.709  -2.858   7.948
   24    HD2  ARG   3           HD2      ARG   3  24.431  -3.078   7.836
   25    HD3  ARG   3           HD1      ARG   3  24.538  -3.633   9.567
   26    HE   ARG   3           HE       ARG   3  24.493  -0.719   9.417
   27   HH11  ARG   3          HH11      ARG   3  22.496  -3.647   9.111
   28   HH12  ARG   3          HH12      ARG   3  21.025  -2.883   9.610
   29   HH21  ARG   3          HH21      ARG   3  22.494   0.323  10.093
   30   HH22  ARG   3          HH22      ARG   3  21.023  -0.586  10.175
   31    H    LEU   4           HN       LEU   4  28.713  -6.536   9.876
   32    HA   LEU   4           HA       LEU   4  26.259  -7.544   8.663
   33    HB2  LEU   4           HB2      LEU   4  29.155  -8.344   8.086
   34    HB3  LEU   4           HB1      LEU   4  27.737  -9.373   7.619
   35    HG   LEU   4           HG       LEU   4  27.958  -6.450   7.033
   36   HD11  LEU   4          HD11      LEU   4  29.775  -8.044   5.886
   37   HD12  LEU   4          HD12      LEU   4  28.925  -6.801   4.892
   38   HD13  LEU   4          HD13      LEU   4  28.398  -8.525   4.825
   39   HD21  LEU   4          HD21      LEU   4  25.706  -6.914   6.853
   40   HD22  LEU   4          HD22      LEU   4  25.976  -8.603   6.266
   41   HD23  LEU   4          HD23      LEU   4  26.234  -7.208   5.148
   42    H    SER   5           HN       SER   5  25.828  -7.479  10.877
   43    HA   SER   5           HA       SER   5  26.210 -10.095  11.946
   44    HB2  SER   5           HB2      SER   5  26.743  -9.308  14.262
   45    HB3  SER   5           HB1      SER   5  28.101  -9.093  13.087
   46    HG   SER   5           HG       SER   5  27.788  -7.233  14.310
   47    H    DAB   6           HN       DAB   6  24.793  -7.027  11.664
   48    HA   DAB   6           HA       DAB   6  22.630  -7.215  13.361
   49    HB2  DAB   6           HB1      DAB   6  22.646  -6.028  10.545
   50    HB3  DAB   6           HB2      DAB   6  23.624  -5.248  11.837
   51    HG2  DAB   6           HG2      DAB   6  21.754  -4.561  13.055
   52    HG3  DAB   6           HG1      DAB   6  21.191  -4.375  11.358
   53    H    PHE   7           HN       PHE   7  23.632  -8.072  10.252
   54    HA   PHE   7           HA       PHE   7  21.298  -8.913   9.100
   55    HB2  PHE   7           HB2      PHE   7  24.246  -9.441   8.832
   56    HB3  PHE   7           HB1      PHE   7  23.070 -10.319   7.788
   57    HD1  PHE   7           HD1      PHE   7  23.708  -6.821   8.926
   58    HD2  PHE   7           HD2      PHE   7  22.816  -9.431   5.705
   59    HE1  PHE   7           HE1      PHE   7  23.681  -4.938   7.386
   60    HE2  PHE   7           HE2      PHE   7  22.785  -7.545   4.181
   61    HZ   PHE   7           HZ       PHE   7  23.216  -5.334   5.049
   62    H    PHE   8           HN       PHE   8  23.386 -10.354  11.543
   63    HA   PHE   8           HA       PHE   8  22.137 -12.872  10.754
   64    HB2  PHE   8           HB2      PHE   8  24.664 -12.268  12.449
   65    HB3  PHE   8           HB1      PHE   8  24.128 -13.953  11.883
   66    HD1  PHE   8           HD1      PHE   8  26.386 -11.610  11.021
   67    HD2  PHE   8           HD2      PHE   8  22.960 -13.474   9.394
   68    HE1  PHE   8           HE1      PHE   8  26.888 -10.676   8.828
   69    HE2  PHE   8           HE2      PHE   8  23.324 -12.486   7.336
   70    HZ   PHE   8           HZ       PHE   8  25.409 -11.165   6.907
   71    H    ARG   9           HN       ARG   9  20.906 -10.754  11.608
   72    HA   ARG   9           HA       ARG   9  19.412 -11.970  13.689
   73    HB2  ARG   9           HB2      ARG   9  19.756  -9.036  14.020
   74    HB3  ARG   9           HB1      ARG   9  19.420 -10.298  15.256
   75    HG2  ARG   9           HG2      ARG   9  21.683 -10.847  15.529
   76    HG3  ARG   9           HG1      ARG   9  22.137 -10.289  13.875
   77    HD2  ARG   9           HD2      ARG   9  22.790  -8.346  14.775
   78    HD3  ARG   9           HD1      ARG   9  21.041  -8.030  15.139
   79    HE   ARG   9           HE       ARG   9  21.446  -8.559  17.419
   80   HH11  ARG   9          HH11      ARG   9  24.173  -9.556  15.349
   81   HH12  ARG   9          HH12      ARG   9  25.237  -9.921  16.667
   82   HH21  ARG   9          HH21      ARG   9  22.894  -9.059  19.207
   83   HH22  ARG   9          HH22      ARG   9  24.497  -9.634  18.896
   84    H    GLN  10           HN       GLN  10  19.931  -9.949  10.805
   85    HA   GLN  10           HA       GLN  10  17.072  -9.985  10.417
   86    HB2  GLN  10           HB2      GLN  10  18.130  -7.318   9.629
   87    HB3  GLN  10           HB1      GLN  10  16.611  -7.715  10.495
   88    HG2  GLN  10           HG2      GLN  10  17.485  -6.908  12.437
   89    HG3  GLN  10           HG1      GLN  10  18.818  -8.109  12.364
   90   HE21  GLN  10          HE21      GLN  10  20.429  -6.709  13.142
   91    H    PHE  11           HN       PHE  11  16.715  -8.670   8.125
   92    HA   PHE  11           HA       PHE  11  17.201  -8.461   5.992
   93    HB2  PHE  11           HB2      PHE  11  20.149  -9.136   6.673
   94    HB3  PHE  11           HB1      PHE  11  19.554  -8.572   5.054
   95    HD1  PHE  11           HD1      PHE  11  21.011  -7.599   7.964
   96    HD2  PHE  11           HD2      PHE  11  17.994  -6.421   5.266
   97    HE1  PHE  11           HE1      PHE  11  21.197  -5.323   8.786
   98    HE2  PHE  11           HE2      PHE  11  18.179  -4.124   6.046
   99    HZ   PHE  11           HZ       PHE  11  19.788  -3.545   7.815
  100    H    ILE  12           HN       ILE  12  19.431 -11.129   7.005
  101    HA   ILE  12           HA       ILE  12  18.361 -12.765   4.881
  102    HB   ILE  12           HB       ILE  12  20.268 -13.493   7.163
  103   HG12  ILE  12          HG12      ILE  12  22.001 -13.249   5.201
  104   HG13  ILE  12          HG11      ILE  12  20.749 -12.236   4.399
  105   HG21  ILE  12          HG21      ILE  12  19.227 -14.855   4.621
  106   HG22  ILE  12          HG22      ILE  12  19.544 -15.542   6.260
  107   HG23  ILE  12          HG23      ILE  12  20.920 -15.188   5.149
  108   HD11  ILE  12          HD11      ILE  12  21.039 -10.480   5.869
  109   HD12  ILE  12          HD12      ILE  12  22.640 -11.242   6.125
  110   HD13  ILE  12          HD13      ILE  12  21.294 -11.563   7.302
  111    H    LEU  13           HN       LEU  13  18.415 -12.515   8.436
  112    HA   LEU  13           HA       LEU  13  17.007 -14.977   8.629
  113    HB2  LEU  13           HB2      LEU  13  17.365 -13.013  10.909
  114    HB3  LEU  13           HB1      LEU  13  17.254 -14.806  10.977
  115    HG   LEU  13           HG       LEU  13  19.569 -13.052  10.027
  116   HD11  LEU  13          HD11      LEU  13  19.255 -15.209  12.223
  117   HD12  LEU  13          HD12      LEU  13  19.378 -13.429  12.457
  118   HD13  LEU  13          HD13      LEU  13  20.790 -14.358  11.820
  119   HD21  LEU  13          HD21      LEU  13  20.408 -14.688   8.686
  120   HD22  LEU  13          HD22      LEU  13  18.893 -15.644   8.905
  121   HD23  LEU  13          HD23      LEU  13  20.288 -15.900  10.015
  122    H    GLN  14           HN       GLN  14  16.373 -11.507   9.493
  123    HA   GLN  14           HA       GLN  14  13.525 -12.176   9.141
  124    HB2  GLN  14           HB2      GLN  14  14.115 -11.857  11.606
  125    HB3  GLN  14           HB1      GLN  14  14.669 -10.198  11.195
  126    HG2  GLN  14           HG2      GLN  14  12.370 -10.118  12.124
  127    HG3  GLN  14           HG1      GLN  14  12.331  -9.641  10.380
  128   HE21  GLN  14          HE21      GLN  14  10.632 -10.536   9.307
  129   HE22  GLN  14          HE22      GLN  14   9.979 -12.116   9.577
  130    H    ARG  15           HN       ARG  15  12.485 -10.894   7.659
  131    HA   ARG  15           HA       ARG  15  13.464  -8.201   7.311
  132    HB2  ARG  15           HB2      ARG  15  13.536  -8.397   4.813
  133    HB3  ARG  15           HB1      ARG  15  14.831  -9.376   5.592
  134    HG2  ARG  15           HG2      ARG  15  13.429 -11.431   5.335
  135    HG3  ARG  15           HG1      ARG  15  12.125 -10.454   4.577
  136    HD2  ARG  15           HD2      ARG  15  14.996 -10.719   3.440
  137    HD3  ARG  15           HD1      ARG  15  13.548 -11.659   2.863
  138    HE   ARG  15           HE       ARG  15  12.820  -8.910   2.785
  139   HH11  ARG  15          HH11      ARG  15  15.231 -11.115   1.368
  140   HH12  ARG  15          HH12      ARG  15  15.375 -10.250  -0.125
  141   HH21  ARG  15          HH21      ARG  15  13.016  -7.729   0.750
  142   HH22  ARG  15          HH22      ARG  15  14.094  -8.293  -0.482
  143    H    LYS  16           HN       LYS  16  11.922  -6.923   5.935
  144    HA   LYS  16           HA       LYS  16   9.298  -8.220   6.036
  145    HB2  LYS  16           HB2      LYS  16  10.196  -5.440   6.808
  146    HB3  LYS  16           HB1      LYS  16   8.601  -5.615   5.989
  147    HG2  LYS  16           HG2      LYS  16   7.874  -5.899   8.152
  148    HG3  LYS  16           HG1      LYS  16   8.312  -7.606   7.778
  149    HD2  LYS  16           HD2      LYS  16  10.554  -7.274   8.840
  150    HD3  LYS  16           HD1      LYS  16  10.138  -5.560   9.195
  151    HE2  LYS  16           HE2      LYS  16   9.784  -6.872  11.242
  152    HE3  LYS  16           HE1      LYS  16   8.152  -6.418  10.595
  153    HZ1  LYS  16           HZ1      LYS  16   9.246  -8.965  11.062
  154    HZ2  LYS  16           HZ2      LYS  16   8.895  -8.818   9.406
  155    HZ3  LYS  16           HZ3      LYS  16   7.681  -8.536  10.560
  156    H    LYS  17           HN       LYS  17   9.803  -9.035   3.958
  157    HA   LYS  17           HA       LYS  17  10.342  -7.212   1.839
  158    HB2  LYS  17           HB2      LYS  17  10.998  -9.658   1.722
  159    HB3  LYS  17           HB1      LYS  17   9.253 -10.088   1.724
  160    HG2  LYS  17           HG2      LYS  17   8.926  -8.850  -0.413
  161    HG3  LYS  17           HG1      LYS  17  10.659  -8.375  -0.414
  162    HD2  LYS  17           HD2      LYS  17  11.319 -10.788  -0.521
  163    HD3  LYS  17           HD1      LYS  17   9.585 -11.264  -0.513
  164    HE2  LYS  17           HE2      LYS  17   9.231 -10.051  -2.684
  165    HE3  LYS  17           HE1      LYS  17  10.977  -9.556  -2.690
  166    HZ1  LYS  17           HZ1      LYS  17  11.020 -12.253  -2.286
  167    HZ2  LYS  17           HZ2      LYS  17  11.308 -11.435  -3.747
  168    HZ3  LYS  17           HZ3      LYS  17   9.760 -12.041  -3.405
  Start of MODEL   20
    1    H1   GLU   1           HT1      GLU   1  33.107   0.072  11.044
    2    H2   GLU   1           HT2      GLU   1  31.772  -0.039  10.000
    3    H3   GLU   1           HT3      GLU   1  32.823   1.291   9.897
    4    HA   GLU   1           HA       GLU   1  33.720   0.170   8.233
    5    HB2  GLU   1           HB2      GLU   1  34.811  -1.302  10.693
    6    HB3  GLU   1           HB1      GLU   1  35.498  -1.527   9.045
    7    HG2  GLU   1           HG2      GLU   1  36.126   0.866   8.912
    8    HG3  GLU   1           HG1      GLU   1  35.318   1.200  10.494
    9    H    MET   2           HN       MET   2  32.223  -2.121  10.581
   10    HA   MET   2           HA       MET   2  31.533  -3.762   8.255
   11    HB2  MET   2           HB2      MET   2  32.423  -4.759  11.024
   12    HB3  MET   2           HB1      MET   2  31.625  -5.798   9.792
   13    HG2  MET   2           HG2      MET   2  33.495  -5.465   8.225
   14    HG3  MET   2           HG1      MET   2  34.268  -4.289   9.333
   15    HE1  MET   2           HE1      MET   2  33.955  -8.862   9.517
   16    HE2  MET   2           HE2      MET   2  33.074  -7.667   8.504
   17    HE3  MET   2           HE3      MET   2  32.546  -7.974  10.194
   18    H    ARG   3           HN       ARG   3  29.483  -4.819   8.421
   19    HA   ARG   3           HA       ARG   3  27.965  -4.116  10.760
   20    HB2  ARG   3           HB2      ARG   3  25.983  -3.525   9.269
   21    HB3  ARG   3           HB1      ARG   3  27.272  -2.267   9.395
   22    HG2  ARG   3           HG2      ARG   3  27.460  -2.287   7.149
   23    HG3  ARG   3           HG1      ARG   3  28.093  -3.967   7.276
   24    HD2  ARG   3           HD2      ARG   3  26.283  -4.582   6.020
   25    HD3  ARG   3           HD1      ARG   3  25.317  -4.329   7.542
   26    HE   ARG   3           HE       ARG   3  25.238  -1.818   6.632
   27   HH11  ARG   3          HH11      ARG   3  25.160  -4.826   4.716
   28   HH12  ARG   3          HH12      ARG   3  24.212  -4.159   3.430
   29   HH21  ARG   3          HH21      ARG   3  23.951  -0.921   4.885
   30   HH22  ARG   3          HH22      ARG   3  23.513  -1.904   3.529
   31    H    LEU   4           HN       LEU   4  27.939  -6.087  11.416
   32    HA   LEU   4           HA       LEU   4  26.381  -7.827   9.671
   33    HB2  LEU   4           HB2      LEU   4  28.915  -8.474  11.254
   34    HB3  LEU   4           HB1      LEU   4  27.789  -9.757  10.642
   35    HG   LEU   4           HG       LEU   4  28.841  -7.512   8.972
   36   HD11  LEU   4          HD11      LEU   4  29.979 -10.341   8.680
   37   HD12  LEU   4          HD12      LEU   4  30.648  -9.234   9.939
   38   HD13  LEU   4          HD13      LEU   4  30.708  -8.762   8.199
   39   HD21  LEU   4          HD21      LEU   4  26.978  -8.275   7.846
   40   HD22  LEU   4          HD22      LEU   4  27.204  -9.987   8.379
   41   HD23  LEU   4          HD23      LEU   4  28.262  -9.298   7.088
   42    H    SER   5           HN       SER   5  24.850  -6.737  10.909
   43    HA   SER   5           HA       SER   5  24.090  -8.414  13.104
   44    HB2  SER   5           HB2      SER   5  23.367  -6.481  14.541
   45    HB3  SER   5           HB1      SER   5  25.160  -6.702  14.438
   46    HG   SER   5           HG       SER   5  24.250  -4.516  14.133
   47    H    DAB   6           HN       DAB   6  23.623  -5.923  10.795
   48    HA   DAB   6           HA       DAB   6  20.900  -5.624  10.698
   49    HB2  DAB   6           HB1      DAB   6  22.728  -5.863   8.262
   50    HB3  DAB   6           HB2      DAB   6  22.979  -4.495   9.402
   51    HG2  DAB   6           HG2      DAB   6  21.009  -3.434   8.821
   52    HG3  DAB   6           HG1      DAB   6  21.425  -4.220   7.258
   53    H    PHE   7           HN       PHE   7  23.266  -7.787   9.614
   54    HA   PHE   7           HA       PHE   7  21.769  -9.265   7.829
   55    HB2  PHE   7           HB2      PHE   7  24.214  -9.573   9.539
   56    HB3  PHE   7           HB1      PHE   7  23.605 -10.967   8.570
   57    HD1  PHE   7           HD1      PHE   7  24.295  -7.330   8.099
   58    HD2  PHE   7           HD2      PHE   7  24.671 -11.269   6.567
   59    HE1  PHE   7           HE1      PHE   7  25.489  -6.480   6.162
   60    HE2  PHE   7           HE2      PHE   7  25.856 -10.406   4.636
   61    HZ   PHE   7           HZ       PHE   7  26.241  -8.026   4.465
   62    H    PHE   8           HN       PHE   8  21.875  -9.045  11.326
   63    HA   PHE   8           HA       PHE   8  20.672 -11.699  11.302
   64    HB2  PHE   8           HB2      PHE   8  22.065 -10.127  13.587
   65    HB3  PHE   8           HB1      PHE   8  21.544 -11.905  13.662
   66    HD1  PHE   8           HD1      PHE   8  24.431 -10.156  13.239
   67    HD2  PHE   8           HD2      PHE   8  21.942 -12.811  11.088
   68    HE1  PHE   8           HE1      PHE   8  26.128 -10.386  11.506
   69    HE2  PHE   8           HE2      PHE   8  23.508 -13.003   9.390
   70    HZ   PHE   8           HZ       PHE   8  25.745 -11.911   9.596
   71    H    ARG   9           HN       ARG   9  19.614  -9.697  10.204
   72    HA   ARG   9           HA       ARG   9  17.085  -9.752  11.460
   73    HB2  ARG   9           HB2      ARG   9  17.098  -7.054  10.655
   74    HB3  ARG   9           HB1      ARG   9  17.073  -7.631  12.352
   75    HG2  ARG   9           HG2      ARG   9  19.815  -7.657  11.321
   76    HG3  ARG   9           HG1      ARG   9  19.058  -6.055  11.039
   77    HD2  ARG   9           HD2      ARG   9  19.106  -7.530  13.739
   78    HD3  ARG   9           HD1      ARG   9  20.287  -6.229  13.227
   79    HE   ARG   9           HE       ARG   9  17.727  -5.104  12.835
   80   HH11  ARG   9          HH11      ARG   9  19.540  -6.598  15.509
   81   HH12  ARG   9          HH12      ARG   9  18.788  -5.656  16.753
   82   HH21  ARG   9          HH21      ARG   9  16.701  -3.820  14.524
   83   HH22  ARG   9          HH22      ARG   9  17.145  -4.049  16.183
   84    H    GLN  10           HN       GLN  10  19.418  -9.284   8.787
   85    HA   GLN  10           HA       GLN  10  17.224  -9.814   6.991
   86    HB2  GLN  10           HB2      GLN  10  18.993  -7.783   5.749
   87    HB3  GLN  10           HB1      GLN  10  17.202  -7.834   5.788
   88    HG2  GLN  10           HG2      GLN  10  17.180  -6.081   7.242
   89    HG3  GLN  10           HG1      GLN  10  18.089  -7.056   8.449
   90   HE21  GLN  10          HE21      GLN  10  19.376  -5.335   9.205
   91    H    PHE  11           HN       PHE  11  18.459  -9.711   4.555
   92    HA   PHE  11           HA       PHE  11  19.993 -10.578   3.250
   93    HB2  PHE  11           HB2      PHE  11  21.922 -10.597   5.681
   94    HB3  PHE  11           HB1      PHE  11  22.399 -10.919   3.959
   95    HD1  PHE  11           HD1      PHE  11  22.410  -8.564   6.366
   96    HD2  PHE  11           HD2      PHE  11  21.317  -9.047   2.323
   97    HE1  PHE  11           HE1      PHE  11  22.615  -6.167   6.048
   98    HE2  PHE  11           HE2      PHE  11  21.535  -6.650   1.969
   99    HZ   PHE  11           HZ       PHE  11  22.191  -5.180   3.831
  100    H    ILE  12           HN       ILE  12  20.708 -12.235   6.401
  101    HA   ILE  12           HA       ILE  12  20.546 -14.775   5.027
  102    HB   ILE  12           HB       ILE  12  20.814 -14.152   8.014
  103   HG12  ILE  12          HG12      ILE  12  23.300 -14.814   7.470
  104   HG13  ILE  12          HG11      ILE  12  22.892 -14.416   5.763
  105   HG21  ILE  12          HG21      ILE  12  21.971 -16.582   7.719
  106   HG22  ILE  12          HG22      ILE  12  20.916 -16.665   6.258
  107   HG23  ILE  12          HG23      ILE  12  20.183 -16.418   7.888
  108   HD11  ILE  12          HD11      ILE  12  22.036 -12.357   7.805
  109   HD12  ILE  12          HD12      ILE  12  22.802 -12.146   6.172
  110   HD13  ILE  12          HD13      ILE  12  23.819 -12.578   7.585
  111    H    LEU  13           HN       LEU  13  18.914 -12.880   7.572
  112    HA   LEU  13           HA       LEU  13  17.012 -14.954   7.927
  113    HB2  LEU  13           HB2      LEU  13  16.637 -12.127   8.938
  114    HB3  LEU  13           HB1      LEU  13  16.126 -13.673   9.700
  115    HG   LEU  13           HG       LEU  13  18.926 -12.467   9.499
  116   HD11  LEU  13          HD11      LEU  13  17.144 -13.300  11.888
  117   HD12  LEU  13          HD12      LEU  13  17.421 -11.624  11.293
  118   HD13  LEU  13          HD13      LEU  13  18.788 -12.568  11.998
  119   HD21  LEU  13          HD21      LEU  13  19.938 -14.488   9.757
  120   HD22  LEU  13          HD22      LEU  13  18.353 -15.298   9.452
  121   HD23  LEU  13          HD23      LEU  13  18.861 -14.917  11.138
  122    H    GLN  14           HN       GLN  14  17.131 -11.611   6.622
  123    HA   GLN  14           HA       GLN  14  15.803 -10.524   5.204
  124    HB2  GLN  14           HB2      GLN  14  14.826 -13.306   4.330
  125    HB3  GLN  14           HB1      GLN  14  14.493 -11.768   3.459
  126    HG2  GLN  14           HG2      GLN  14  16.963 -11.446   3.078
  127    HG3  GLN  14           HG1      GLN  14  17.281 -13.019   3.917
  128   HE21  GLN  14          HE21      GLN  14  17.660 -14.622   2.469
  129   HE22  GLN  14          HE22      GLN  14  16.828 -14.856   0.969
  130    H    ARG  15           HN       ARG  15  14.862 -10.472   7.764
  131    HA   ARG  15           HA       ARG  15  12.177 -11.492   7.797
  132    HB2  ARG  15           HB2      ARG  15  13.502  -9.451   9.680
  133    HB3  ARG  15           HB1      ARG  15  11.941 -10.297   9.967
  134    HG2  ARG  15           HG2      ARG  15  13.248 -12.512   9.878
  135    HG3  ARG  15           HG1      ARG  15  14.753 -11.530   9.878
  136    HD2  ARG  15           HD2      ARG  15  14.341 -12.158  12.199
  137    HD3  ARG  15           HD1      ARG  15  13.846 -10.410  12.065
  138    HE   ARG  15           HE       ARG  15  11.572 -12.107  11.498
  139   HH11  ARG  15          HH11      ARG  15  13.736 -11.026  14.113
  140   HH12  ARG  15          HH12      ARG  15  12.561 -11.210  15.372
  141   HH21  ARG  15          HH21      ARG  15   9.974 -12.366  13.213
  142   HH22  ARG  15          HH22      ARG  15  10.387 -11.987  14.850
  143    H    LYS  16           HN       LYS  16  10.241 -10.130   7.883
  144    HA   LYS  16           HA       LYS  16  10.582  -7.844   6.142
  145    HB2  LYS  16           HB2      LYS  16   7.965  -8.806   7.407
  146    HB3  LYS  16           HB1      LYS  16   8.177  -7.848   5.897
  147    HG2  LYS  16           HG2      LYS  16   7.969  -9.821   4.798
  148    HG3  LYS  16           HG1      LYS  16   9.655 -10.137   5.338
  149    HD2  LYS  16           HD2      LYS  16   8.922 -11.445   7.228
  150    HD3  LYS  16           HD1      LYS  16   7.218 -10.899   7.044
  151    HE2  LYS  16           HE2      LYS  16   7.039 -12.146   4.876
  152    HE3  LYS  16           HE1      LYS  16   8.766 -12.677   5.037
  153    HZ1  LYS  16           HZ1      LYS  16   7.076 -13.190   7.336
  154    HZ2  LYS  16           HZ2      LYS  16   8.224 -14.173   6.561
  155    HZ3  LYS  16           HZ3      LYS  16   6.656 -14.037   5.926
  156    H    LYS  17           HN       LYS  17  10.614  -8.604   9.417
  157    HA   LYS  17           HA       LYS  17   9.366  -6.143  10.273
  158    HB2  LYS  17           HB2      LYS  17  10.907  -8.316  11.816
  159    HB3  LYS  17           HB1      LYS  17  10.209  -6.846  12.587
  160    HG2  LYS  17           HG2      LYS  17   7.922  -7.525  11.820
  161    HG3  LYS  17           HG1      LYS  17   8.617  -9.000  11.063
  162    HD2  LYS  17           HD2      LYS  17   9.427  -9.767  13.305
  163    HD3  LYS  17           HD1      LYS  17   8.738  -8.290  14.061
  164    HE2  LYS  17           HE2      LYS  17   6.433  -8.989  13.344
  165    HE3  LYS  17           HE1      LYS  17   7.128 -10.476  12.575
  166    HZ1  LYS  17           HZ1      LYS  17   7.133 -11.451  14.517
  167    HZ2  LYS  17           HZ2      LYS  17   6.353 -10.106  15.202
  168    HZ3  LYS  17           HZ3      LYS  17   8.048 -10.213  15.236