*HEADER    TOXIN                                   04-MAR-15   2N07              
*TITLE     DESIGN OF A HIGHLY STABLE DISULFIDE-DELETED MUTANT OF ANALGESIC CYCLIC
*TITLE    2 ALPHA-CONOTOXIN VC1.1                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ALPHA-CONOTOXIN VC1A;                                      
*COMPND   3 CHAIN: X;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 50-66;                                        
*COMPND   5 SYNONYM: ACV1, ALPHA-VC1A, VC1.1;                                    
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS VICTORIAE;                                
*SOURCE   4 ORGANISM_COMMON: QUEEN VICTORIA CONE;                                
*SOURCE   5 ORGANISM_TAXID: 319920                                               
*KEYWDS    DISULFIDE-DELETED MUTANT, CVC1.1, TOXIN                               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    R.YU, V.SEYMOUR, G.BERECKI, X.JIA, M.AKCAN, D.ADAMS, Q.KAAS, D.CRAIK  
*REVDAT   1   13-APR-16 2N07    0                                                


assign (resid    1 and name C    ) (resid    2 and name N    )
       (resid    2 and name CA   ) (resid    2 and name C    )    1.0  -30.0  105.0 2
assign (resid    2 and name N    ) (resid    2 and name CA   )
       (resid    2 and name C    ) (resid    3 and name N    )    1.0  145.0   40.0 2
assign (resid    2 and name C    ) (resid    3 and name N    )
       (resid    3 and name CA   ) (resid    3 and name C    )    1.0  -30.0  105.0 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name C    ) (resid    4 and name N    )    1.0  145.0   40.0 2
assign (resid    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    1.0  -30.0  105.0 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    1.0  145.0   40.0 2
assign (resid    6 and name C    ) (resid    7 and name N    )
       (resid    7 and name CA   ) (resid    7 and name C    )    1.0  -30.0  105.0 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    1.0  145.0   40.0 2
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0  -30.0  105.0 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  145.0   40.0 2
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0  -30.0  105.0 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name C    ) (resid   10 and name N    )    1.0  145.0   40.0 2
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0  -30.0  105.0 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0  145.0   40.0 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -30.0  105.0 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  145.0   40.0 2
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0  -30.0  105.0 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0  145.0   40.0 2
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0  -30.0  105.0 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0  145.0   40.0 2
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0  -30.0  105.0 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  145.0   40.0 2
assign (resid   18 and name C    ) (resid   19 and name N    )
       (resid   19 and name CA   ) (resid   19 and name C    )    1.0  -30.0  105.0 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name C    ) (resid   20 and name N    )    1.0  145.0   40.0 2
assign (resid   19 and name C    ) (resid   20 and name N    )
       (resid   20 and name CA   ) (resid   20 and name C    )    1.0  -30.0  105.0 2
assign (resid   20 and name N    ) (resid   20 and name CA   )
       (resid   20 and name C    ) (resid   21 and name N    )    1.0  145.0   40.0 2
assign (resid    2 and name N    ) (resid    2 and name CA   )
       (resid    2 and name CB   ) (resid    2 and name CG   )    1.0   60.0  150.0 2
assign (resid    2 and name N    ) (resid    2 and name CA   )
       (resid    2 and name CB   ) (resid    2 and name CG   )    1.0  180.0  150.0 2
assign (resid    2 and name N    ) (resid    2 and name CA   )
       (resid    2 and name CB   ) (resid    2 and name CG   )    1.0  -60.0  150.0 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name CB   ) (resid    3 and name SG   )    1.0   60.0  150.0 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name CB   ) (resid    3 and name SG   )    1.0  180.0  150.0 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name CB   ) (resid    3 and name SG   )    1.0  -60.0  150.0 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name CB   ) (resid    4 and name OG   )    1.0   60.0  150.0 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name CB   ) (resid    4 and name OG   )    1.0  180.0  150.0 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name CB   ) (resid    4 and name OG   )    1.0  -60.0  150.0 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name CB   ) (resid    5 and name CG   )    1.0   60.0  150.0 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name CB   ) (resid    5 and name CG   )    1.0  180.0  150.0 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name CB   ) (resid    5 and name CG   )    1.0  -60.0  150.0 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name CB   ) (resid    7 and name CG   )    1.0   60.0  150.0 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name CB   ) (resid    7 and name CG   )    1.0  180.0  150.0 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name CB   ) (resid    7 and name CG   )    1.0  -60.0  150.0 2
assign (resid    7 and name CA   ) (resid    7 and name CB   )
       (resid    7 and name CG   ) (resid    7 and name CD   )    1.0   60.0  150.0 2
assign (resid    7 and name CA   ) (resid    7 and name CB   )
       (resid    7 and name CG   ) (resid    7 and name CD   )    1.0  180.0  150.0 2
assign (resid    7 and name CA   ) (resid    7 and name CB   )
       (resid    7 and name CG   ) (resid    7 and name CD   )    1.0  -60.0  150.0 2
assign (resid    7 and name CB   ) (resid    7 and name CG   )
       (resid    7 and name CD   ) (resid    7 and name NE   )    1.0   60.0  150.0 2
assign (resid    7 and name CB   ) (resid    7 and name CG   )
       (resid    7 and name CD   ) (resid    7 and name NE   )    1.0  180.0  150.0 2
assign (resid    7 and name CB   ) (resid    7 and name CG   )
       (resid    7 and name CD   ) (resid    7 and name NE   )    1.0  -60.0  150.0 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name CB   ) (resid    8 and name CG   )    1.0   60.0  150.0 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name CB   ) (resid    8 and name CG   )    1.0  180.0  150.0 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name CB   ) (resid    8 and name CG   )    1.0  -60.0  150.0 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name CB   ) (resid    9 and name CG   )    1.0   60.0  150.0 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name CB   ) (resid    9 and name CG   )    1.0  180.0  150.0 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name CB   ) (resid    9 and name CG   )    1.0  -60.0  150.0 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name CB   ) (resid   10 and name CG   )    1.0   60.0  150.0 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name CB   ) (resid   10 and name CG   )    1.0  180.0  150.0 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name CB   ) (resid   10 and name CG   )    1.0  -60.0  150.0 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name CB   ) (resid   11 and name CG   )    1.0   60.0  150.0 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name CB   ) (resid   11 and name CG   )    1.0  180.0  150.0 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name CB   ) (resid   11 and name CG   )    1.0  -60.0  150.0 2
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  150.0 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name CB   ) (resid   12 and name CG   )    1.0  180.0  150.0 2
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  150.0 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name CB   ) (resid   14 and name CG   )    1.0   60.0  150.0 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name CB   ) (resid   14 and name CG   )    1.0  180.0  150.0 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name CB   ) (resid   14 and name CG   )    1.0  -60.0  150.0 2
assign (resid   14 and name CA   ) (resid   14 and name CB   )
       (resid   14 and name CG   ) (resid   14 and name CD   )    1.0   60.0  150.0 2
assign (resid   14 and name CA   ) (resid   14 and name CB   )
       (resid   14 and name CG   ) (resid   14 and name CD   )    1.0  180.0  150.0 2
assign (resid   14 and name CA   ) (resid   14 and name CB   )
       (resid   14 and name CG   ) (resid   14 and name CD   )    1.0  -60.0  150.0 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name CB   ) (resid   15 and name CG1  )    1.0   60.0  150.0 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name CB   ) (resid   15 and name CG1  )    1.0  180.0  150.0 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name CB   ) (resid   15 and name CG1  )    1.0  -60.0  150.0 2
assign (resid   15 and name CA   ) (resid   15 and name CB   )
       (resid   15 and name CG1  ) (resid   15 and name CD1  )    1.0   60.0  150.0 2
assign (resid   15 and name CA   ) (resid   15 and name CB   )
       (resid   15 and name CG1  ) (resid   15 and name CD1  )    1.0  180.0  150.0 2
assign (resid   15 and name CA   ) (resid   15 and name CB   )
       (resid   15 and name CG1  ) (resid   15 and name CD1  )    1.0  -60.0  150.0 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name CB   ) (resid   16 and name SG   )    1.0   60.0  150.0 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name CB   ) (resid   16 and name SG   )    1.0  180.0  150.0 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name CB   ) (resid   16 and name SG   )    1.0  -60.0  150.0 2
*** WARNING: Inconsistency in chemical shift list 1 for ILE 15: QG1 1.399, HG12 0.932, HG13 1.397
 
    Peak 70 from 2DNOESY.peaks (7.16, 3.98 ppm; 3.73 A):
    2 out of 4 assignments used, quality = 1.00:
      H     ILE   15 + HA    ILE   15  OK   100   100 100 100  2.8-2.9   3.0=100
      H     ILE   15 + HA    GLU   14  OK   100   100 100 100  3.5-3.6   3.5=100
      H     ILE   15 - HA    ALA   20  far    0    82   0   -  7.1-12.4
      H     ILE   15 - HA    ASP   11  far    0    96   0   -  7.9-8.2
    Violated in 0 structures by 0.00 A.
 
    Peak 71 from 2DNOESY.peaks (7.16, 1.71 ppm; 3.81 A):
    2 out of 3 assignments used, quality = 0.99:
      H     ILE   15 + HB    ILE   15  OK    98    98 100 100  2.6-2.6   3.8=100
      H     ILE   15 + HB2   GLU   14  OK    31    40  85  92  3.5-4.0   4.4=63, 159/3.7=52...(4)
      H     ILE   15 - HG3   PRO   13  far    0    37   0   -  5.2-5.3
    Violated in 0 structures by 0.00 A.
 
    Peak 75 from 2DNOESY.peaks (7.16, 0.60 ppm; 4.85 A):
    1 out of 1 assignment used, quality = 0.99:
      H     ILE   15 + QD1   ILE   15  OK    99    99 100 100  3.5-3.6   4.4=100
    Violated in 0 structures by 0.00 A.
 
    Peak 79 from 2DNOESY.peaks (9.34, 2.01 ppm; 4.45 A increased from 4.18 A):
    2 out of 2 assignments used, quality = 0.99:
      H     GLU   14 + HG2   GLU   14  OK    97    99 100  98  1.9-4.4   144/3.0=78, 5.0=70...(6)
      H     GLU   14 + HB3   PRO   13  OK    72    72 100 100  4.4-4.4   4.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 80 from 2DNOESY.peaks (7.69, 4.01 ppm; 3.52 A):
    1 out of 4 assignments used, quality = 1.00:
      H     PHE    8 + HA    PHE    8  OK   100   100 100 100  2.9-2.9   2.9=100
      H     ASP   11 - HA    PHE    8  far    0    41   0   -  4.2-4.5
      H     PHE    8 - HA    SER    4  far    0    60   0   -  7.3-7.4
      H     PHE    8 - HA    ALA   20  far    0    53   0   -  8.7-12.4
    Violated in 0 structures by 0.00 A.
 
    Peak 81 from 2DNOESY.peaks (7.69, 3.19 ppm; 3.31 A):
    1 out of 2 assignments used, quality = 0.97:
      H     PHE    8 + HB3   PHE    8  OK    97    99 100  98  2.3-2.4   82/1.8=75, 4.0=55...(6)
      H     ASP   11 - HB3   PHE    8  far    0    40   0   -  6.5-6.8
    Violated in 0 structures by 0.00 A.
 
    Peak 82 from 2DNOESY.peaks (7.69, 2.84 ppm; 3.13 A):
    1 out of 2 assignments used, quality = 0.92:
      H     PHE    8 + HB2   PHE    8  OK    92   100 100  92  2.7-2.8   81/1.8=64, 4.0=47...(4)
      H     ASP   11 - HB2   PHE    8  far    0    40   0   -  6.5-6.8
    Violated in 0 structures by 0.00 A.
 
    Peak 84 from 2DNOESY.peaks (8.58, 2.56 ppm; 3.38 A):
    1 out of 4 assignments used, quality = 0.85:
      H     ASN    9 + HB3   ASN    9  OK    85    99 100  86  2.5-2.7   4.0=61, 218/202=46, 364/386=34
      H     ASN    9 - HB2   CYSS  16  far    0    76   0   -  5.0-5.8
      H     HIS+   2 - HB2   CYSS  16  far    0    53   0   -  7.8-8.9
      H     HIS+   2 - HB3   ASN    9  far    0    69   0   -  9.5-10.5
    Violated in 0 structures by 0.00 A.
 
    Peak 85 from 2DNOESY.peaks (7.66, 3.75 ppm; 3.36 A):
    1 out of 1 assignment used, quality = 1.00:
      H     TYR   10 + HA    TYR   10  OK   100   100 100 100  2.9-2.9   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 86 from 2DNOESY.peaks (7.67, 2.89 ppm; 3.00 A):
    1 out of 2 assignments used, quality = 0.92:
      H     TYR   10 + HB3   TYR   10  OK    92   100 100  92  2.7-2.8   87/1.8=65, 3.8=50...(5)
      H     TYR   10 - HB3   CYSS   3  far    0    46   0   -  9.4-9.7
    Violated in 0 structures by 0.00 A.
 
    Peak 87 from 2DNOESY.peaks (7.67, 2.78 ppm; 3.09 A):
    1 out of 1 assignment used, quality = 0.95:
      H     TYR   10 + HB2   TYR   10  OK    95   100 100  95  2.3-2.5   86/1.8=71, 3.8=55...(5)
    Violated in 0 structures by 0.00 A.
 
    Peak 89 from 2DNOESY.peaks (7.71, 2.23 ppm; 3.35 A):
    1 out of 3 assignments used, quality = 0.74:
      H     ASP   11 + HB2   ASP   11  OK    74    99 100  75  2.3-2.8   3.9=62, 214/4.5=32
      H     ASP   11 - HB2   HIS+  12  far    0    49   0   -  6.1-6.2
      H     ASP   11 - HG3   GLU   14  far    0    52   0   -  8.2-11.9
    Violated in 0 structures by 0.00 A.
 
    Peak 90 from 2DNOESY.peaks (7.71, 1.86 ppm; 3.79 A):
    0 out of 2 assignments used, quality = 0.00:
      H     PHE    8 - HG3   PRO    6  far    0    40   0   -  5.0-5.2
      H     ASP   11 - HG3   PRO    6  far    0    97   0   -  7.6-7.9
    Violated in 20 structures by 1.28 A.
 
    Peak 92 from 2DNOESY.peaks (7.29, 5.00 ppm; 4.16 A):
    1 out of 2 assignments used, quality = 0.99:
      H     HIS+  12 + HA    HIS+  12  OK    99    99 100 100  2.9-2.9   3.0=100
      HE    ARG    7 - HA    HIS+  12  far    0    87   0   -  9.0-12.2
    Violated in 0 structures by 0.00 A.
 
    Peak 93 from 2DNOESY.peaks (7.29, 2.60 ppm; 4.62 A):
    1 out of 2 assignments used, quality = 1.00:
      H     HIS+  12 + HB3   HIS+  12  OK   100   100 100 100  2.5-2.7   4.0=100
      HE    ARG    7 - HB3   HIS+  12  far    0    88   0   -  8.0-10.7
    Violated in 0 structures by 0.00 A.
 
    Peak 94 from 2DNOESY.peaks (7.29, 2.26 ppm; 3.87 A):
    1 out of 5 assignments used, quality = 0.94:
      H     HIS+  12 + HB2   HIS+  12  OK    94    97 100  97  3.7-3.8   4.0=92, 269/4.8=32...(4)
      H     HIS+  12 - HB2   ASP   11  poor  18    36  50   -  3.8-4.3
      HE    ARG    7 - HB2   ASP   11  far    0    30   0   -  4.6-8.2
      H     HIS+  12 - HG3   GLU   14  far    0    95   0   -  6.0-9.6
      HE    ARG    7 - HB2   HIS+  12  far    0    80   0   -  9.6-12.4
    Violated in 0 structures by 0.00 A.
 
    Peak 97 from 2DNOESY.peaks (7.50, 4.79 ppm; 3.78 A):
    1 out of 1 assignment used, quality = 1.00:
      H     ASP    5 + HA    ASP    5  OK   100   100 100 100  2.9-2.9   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 98 from 2DNOESY.peaks (7.62, 3.72 ppm; 3.82 A):
    1 out of 1 assignment used, quality = 0.97:
      H     SER    4 + HB2   SER    4  OK    97    99 100  98  3.5-3.6   4.0=87, 99/1.8=78, 187/4.5=42
    Violated in 0 structures by 0.00 A.
 
    Peak 99 from 2DNOESY.peaks (7.62, 3.66 ppm; 3.70 A):
    1 out of 4 assignments used, quality = 0.96:
      H     SER    4 + HB3   SER    4  OK    96   100 100  96  2.3-2.9   4.0=79, 98/1.8=70, 187/186=40
      H     SER    4 - HA3   GLY   22  far    5    99   5   -  3.5-7.2
      H     SER    4 - HA3   GLY   21  far    0    46   0   -  6.3-9.6
      H     SER    4 - HD2   PRO    6  far    0    99   0   -  7.4-7.5
    Violated in 0 structures by 0.00 A.
 
    Peak 101 from 2DNOESY.peaks (7.50, 2.46 ppm; 3.85 A increased from 3.43 A):
    1 out of 1 assignment used, quality = 0.99:
      H     ASP    5 + HB2   ASP    5  OK    99    99 100  99  3.6-3.7   4.0=91, 228/1.8=87, 225/423=26
    Violated in 0 structures by 0.00 A.
 
    Peak 103 from 2DNOESY.peaks (7.90, 3.08 ppm; 3.72 A):
    1 out of 1 assignment used, quality = 0.99:
      H     CYSS   3 + HB2   CYSS   3  OK    99   100 100  99  2.2-2.3   349/1.8=84, 3.9=84...(4)
    Violated in 0 structures by 0.00 A.
 
    Peak 108 from 2DNOESY.peaks (8.57, 4.16 ppm; 3.58 A):
    2 out of 4 assignments used, quality = 1.00:
      H     HIS+   2 + HA    HIS+   2  OK    99    99 100 100  2.9-2.9   3.0=100
      H     ASN    9 + HA    ASN    9  OK    66    66 100 100  2.9-2.9   3.0=100
      H     ASN    9 - HA    HIS+   2  far    0    69   0   -  7.7-8.5
      H     HIS+   2 - HA    ASN    9  far    0    94   0   -  8.4-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 109 from 2DNOESY.peaks (7.79, 3.91 ppm; 3.71 A):
    1 out of 1 assignment used, quality = 0.99:
      H     ARG    7 + HA    ARG    7  OK    99    99 100 100  2.8-2.8   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 114 from 2DNOESY.peaks (8.15, 3.69 ppm; 3.78 A):
    1 out of 1 assignment used, quality = 1.00:
      H     GLY   18 + HA2   GLY   18  OK   100   100 100 100  2.3-3.0   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 115 from 2DNOESY.peaks (7.78, 4.08 ppm; 3.58 A):
    2 out of 3 assignments used, quality = 1.00:
      H     ALA   19 + HA    ALA   19  OK   100   100 100 100  2.8-2.9   3.0=100
      H     ARG    7 + HA    PRO    6  OK    66    66 100 100  3.5-3.5   3.6=100
      H     ALA   19 - HA    PRO    6  far    0    85   0   -  8.0-13.9
    Violated in 0 structures by 0.00 A.
 
    Peak 116 from 2DNOESY.peaks (7.78, 1.19 ppm; 3.23 A):
    1 out of 1 assignment used, quality = 1.00:
      H     ALA   19 + QB    ALA   19  OK   100   100 100 100  2.2-2.9   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 117 from 2DNOESY.peaks (8.24, 3.99 ppm; 3.29 A):
    1 out of 4 assignments used, quality = 1.00:
      H     ALA   20 + HA    ALA   20  OK   100   100 100 100  2.3-2.9   3.0=100
      H     ALA   20 - HA    ILE   15  far    0    82   0   -  5.6-12.0
      H     ALA   20 - HA    SER    4  far    0    99   0   -  6.0-11.3
      H     ALA   20 - HA    GLU   14  far    0    82   0   -  7.4-12.4
    Violated in 0 structures by 0.00 A.
 
    Peak 118 from 2DNOESY.peaks (8.24, 1.10 ppm; 3.33 A):
    1 out of 1 assignment used, quality = 1.00:
      H     ALA   20 + QB    ALA   20  OK   100   100 100 100  2.0-2.8   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 122 from 2DNOESY.peaks (7.79, 2.97 ppm; 4.68 A):
    2 out of 2 assignments used, quality = 1.00:
      H     ARG    7 + HD3   ARG    7  OK   100   100 100 100  3.9-4.7   3.0/396=80, 237/3.7=74...(6)
      H     ARG    7 + HB3   ASP    5  OK    75    76 100  98  2.9-3.6   239/241=74, 246/3.0=58...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 123 from 2DNOESY.peaks (7.79, 2.97 ppm; 4.68 A):
    2 out of 2 assignments used, quality = 1.00:
      H     ARG    7 + HD3   ARG    7  OK   100   100 100 100  3.9-4.7   3.0/396=80, 237/3.7=74...(6)
      H     ARG    7 + HB3   ASP    5  OK    75    76 100  98  2.9-3.6   239/241=74, 246/3.0=58...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 124 from 2DNOESY.peaks (7.79, 1.77 ppm; 3.51 A):
    1 out of 1 assignment used, quality = 0.99:
      H     ARG    7 + HB3   ARG    7  OK    99   100 100  99  2.6-2.9   237/1.8=73, 3.9=71...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 126 from 2DNOESY.peaks (7.79, 1.45 ppm; 4.78 A increased from 4.50 A):
    1 out of 1 assignment used, quality = 0.99:
      H     ARG    7 + HG3   ARG    7  OK    99    99 100 100  4.6-4.6   4.8=96, 237/2.9=88...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 127 from 2DNOESY.peaks (7.79, 1.39 ppm; 4.56 A increased from 4.29 A):
    1 out of 2 assignments used, quality = 1.00:
      H     ARG    7 + HG2   ARG    7  OK   100   100 100 100  4.4-4.5   4.8=83, 237/2.9=83...(7)
      H     ALA   19 - HG13  ILE   15  far    0    76   0   -  6.8-11.4
    Violated in 0 structures by 0.00 A.
 
    Peak 135 from 2DNOESY.peaks (3.95, 4.07 ppm; 3.90 A):
    1 out of 1 assignment used, quality = 0.99:
      HD3   PRO    6 + HA    PRO    6  OK    99    99 100 100  3.6-3.6   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 136 from 2DNOESY.peaks (3.95, 4.78 ppm; 3.13 A):
    1 out of 1 assignment used, quality = 0.97:
      HD3   PRO    6 + HA    ASP    5  OK    97    97 100 100  2.3-2.3   2.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 137 from 2DNOESY.peaks (3.66, 4.79 ppm; 3.42 A):
    1 out of 3 assignments used, quality = 0.99:
      HD2   PRO    6 + HA    ASP    5  OK    99    99 100 100  2.4-2.4   2.5=100
      HB3   SER    4 - HA    ASP    5  far    0    96   0   -  5.7-5.7
      HA3   GLY   22 - HA    ASP    5  far    0    99   0   -  8.8-12.5
    Violated in 0 structures by 0.00 A.
 
    Peak 138 from 2DNOESY.peaks (3.06, 3.23 ppm; 2.82 A):
    1 out of 2 assignments used, quality = 0.96:
      HD2   PRO   13 + HD3   PRO   13  OK    96    96 100 100  1.8-1.8   1.8=100
      HD2   PRO   13 - HB3   CYSS  16  far    0    70   0   -  8.2-8.5
    Violated in 0 structures by 0.00 A.
 
    Peak 142 from 2DNOESY.peaks (9.34, 3.98 ppm; 3.47 A):
    1 out of 4 assignments used, quality = 0.98:
      H     GLU   14 + HA    GLU   14  OK    98    98 100 100  2.9-2.9   2.9=100
      H     GLU   14 - HA    ILE   15  far    0    98   0   -  4.8-4.9
      H     GLU   14 - HA    ASP   11  far    0    94   0   -  6.9-6.9
      H     GLU   14 - HA    ALA   20  far    0    81   0   -  8.8-13.3
    Violated in 0 structures by 0.00 A.
 
    Peak 143 from 2DNOESY.peaks (9.34, 2.25 ppm; 4.38 A):
    2 out of 3 assignments used, quality = 0.97:
      H     GLU   14 + HB2   HIS+  12  OK    89    94 100  94  3.6-3.7   280/3.0=63, 277/4.8=46...(5)
      H     GLU   14 + HG3   GLU   14  OK    70    96  75  98  1.9-4.8   144/3.0=76, 5.0=67...(7)
      H     GLU   14 - HB2   ASP   11  far    0    70   0   -  8.4-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 144 from 2DNOESY.peaks (9.34, 1.81 ppm; 3.60 A):
    1 out of 1 assignment used, quality = 0.98:
      H     GLU   14 + HB3   GLU   14  OK    98   100 100  98  2.4-3.1   3.7=94, 159/4.4=37...(5)
    Violated in 0 structures by 0.00 A.
 
    Peak 146 from 2DNOESY.peaks (7.16, 2.01 ppm; 4.88 A):
    1 out of 2 assignments used, quality = 0.98:
      H     ILE   15 + HG2   GLU   14  OK    98    99 100  99  1.9-3.5   159/5.0=58, 407/416=56...(7)
      H     ILE   15 - HB3   PRO   13  far    0    76   0   -  6.1-6.5
    Violated in 0 structures by 0.00 A.
 
    Peak 147 from 2DNOESY.peaks (7.16, 1.81 ppm; 4.85 A):
    1 out of 1 assignment used, quality = 1.00:
      H     ILE   15 + HB3   GLU   14  OK   100   100 100 100  2.5-4.1   4.4=100
    Violated in 0 structures by 0.00 A.
 
    Peak 148 from 2DNOESY.peaks (8.04, 4.73 ppm; 3.96 A):
    1 out of 1 assignment used, quality = 0.99:
      H     CYSS  16 + HA    CYSS  16  OK    99    99 100 100  2.9-2.9   2.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 149 from 2DNOESY.peaks (8.04, 3.25 ppm; 3.84 A):
    1 out of 2 assignments used, quality = 0.99:
      H     CYSS  16 + HB3   CYSS  16  OK    99   100 100  99  3.5-3.6   4.0=88, 150/1.8=85, 354/4.3=45
      H     CYSS  16 - HD3   PRO   13  far    0    56   0   -  6.3-6.5
    Violated in 0 structures by 0.00 A.
 
    Peak 150 from 2DNOESY.peaks (8.04, 2.55 ppm; 3.39 A):
    1 out of 2 assignments used, quality = 0.89:
      H     CYSS  16 + HB2   CYSS  16  OK    89   100 100  90  2.3-2.4   4.0=61, 149/1.8=59, 354/4.3=35
      H     CYSS  16 - HB3   ASN    9  far    0    85   0   -  7.0-7.3
    Violated in 0 structures by 0.00 A.
 
    Peak 151 from 2DNOESY.peaks (8.04, 1.71 ppm; 3.50 A):
    1 out of 3 assignments used, quality = 0.96:
      H     CYSS  16 + HB    ILE   15  OK    96   100 100  97  2.9-3.1   157/2.1=53, 4.5=48...(7)
      H     CYSS  16 - HB2   GLU   14  far    0    49   0   -  5.1-5.5
      H     CYSS  16 - HG3   PRO   13  far    0    46   0   -  6.2-6.3
    Violated in 0 structures by 0.00 A.
 
    Peak 152 from 2DNOESY.peaks (8.04, 1.40 ppm; 4.63 A):
    1 out of 1 assignment used, quality = 1.00:
      H     CYSS  16 + HG13  ILE   15  OK   100   100 100 100  4.2-4.4   151/3.0=84, 157/3.2=71...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 156 from 2DNOESY.peaks (8.04, 0.93 ppm; 5.34 A increased from 4.75 A):
    1 out of 1 assignment used, quality = 0.99:
      H     CYSS  16 + HG12  ILE   15  OK    99    99 100 100  5.0-5.1   151/3.0=95, 152/1.8=94...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 157 from 2DNOESY.peaks (8.04, 0.74 ppm; 4.07 A):
    1 out of 1 assignment used, quality = 0.98:
      H     CYSS  16 + QG2   ILE   15  OK    98    98 100 100  3.7-4.0   4.1=97, 151/2.1=83...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 158 from 2DNOESY.peaks (8.04, 0.60 ppm; 4.95 A increased from 4.66 A):
    1 out of 1 assignment used, quality = 0.97:
      H     CYSS  16 + QD1   ILE   15  OK    97    97 100 100  4.8-4.9   151/3.2=87, 152/2.1=83...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 159 from 2DNOESY.peaks (9.34, 7.16 ppm; 3.56 A):
    1 out of 1 assignment used, quality = 0.87:
      H     GLU   14 + H     ILE   15  OK    87    99 100  87  2.1-2.2   4.6=45, 161/160=36...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 160 from 2DNOESY.peaks (8.04, 7.16 ppm; 3.03 A):
    1 out of 1 assignment used, quality = 0.83:
      H     CYSS  16 + H     ILE   15  OK    83    96 100  86  2.4-2.8   151/3.8=31, 4.6=28...(9)
    Violated in 0 structures by 0.00 A.
 
    Peak 161 from 2DNOESY.peaks (9.34, 8.05 ppm; 4.66 A):
    1 out of 1 assignment used, quality = 0.94:
      H     GLU   14 + H     CYSS  16  OK    94    97 100  97  3.5-3.6   159/160=80, 3.6/287=64...(5)
    Violated in 0 structures by 0.00 A.
 
    Peak 162 from 2DNOESY.peaks (8.19, 4.03 ppm; 3.87 A):
    1 out of 4 assignments used, quality = 1.00:
      H     GLY   17 + HA3   GLY   17  OK   100   100 100 100  2.3-2.9   3.0=100
      HE1   HIS+   2 - HA    PHE    8  far    0    82   0   -  7.9-9.7
      H     GLY   17 - HA    PHE    8  far    0    82   0   -  8.4-8.8
      H     GLY   21 - HA3   GLY   17  far    0    78   0   -  8.5-11.2
    Violated in 0 structures by 0.00 A.
 
    Peak 163 from 2DNOESY.peaks (8.19, 3.80 ppm; 3.22 A):
    1 out of 2 assignments used, quality = 1.00:
      H     GLY   17 + HA2   GLY   17  OK   100   100 100 100  2.3-2.9   3.0=100
      H     GLY   21 - HA2   GLY   17  far    0    70   0   -  8.7-11.6
    Violated in 0 structures by 0.00 A.
 
    Peak 164 from 2DNOESY.peaks (8.15, 3.85 ppm; 3.36 A):
    1 out of 1 assignment used, quality = 1.00:
      H     GLY   18 + HA3   GLY   18  OK   100   100 100 100  2.3-3.0   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 166 from 2DNOESY.peaks (7.78, 3.85 ppm; 3.94 A):
    1 out of 1 assignment used, quality = 1.00:
      H     ALA   19 + HA3   GLY   18  OK   100   100 100 100  2.2-3.6   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 167 from 2DNOESY.peaks (8.24, 4.08 ppm; 3.51 A):
    1 out of 2 assignments used, quality = 0.97:
      H     ALA   20 + HA    ALA   19  OK    97   100 100  98  2.2-3.5   3.6=95, 170/3.0=48
      H     ALA   20 - HA    PRO    6  far    0    85   0   -  8.3-13.5
    Violated in 0 structures by 0.00 A.
 
    Peak 169 from 2DNOESY.peaks (8.24, 1.19 ppm; 3.82 A):
    1 out of 1 assignment used, quality = 1.00:
      H     ALA   20 + QB    ALA   19  OK   100   100 100 100  2.8-3.6   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 170 from 2DNOESY.peaks (8.24, 7.78 ppm; 3.90 A increased from 3.67 A):
    1 out of 1 assignment used, quality = 0.87:
      H     ALA   20 + H     ALA   19  OK    87   100 100  87  2.3-3.9   167/3.0=66, 4.6=60
    Violated in 0 structures by 0.00 A.
 
    Peak 175 from 2DNOESY.peaks (8.35, 3.40 ppm; 3.42 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 178 from 2DNOESY.peaks (8.18, 3.48 ppm; 3.49 A):
    1 out of 5 assignments used, quality = 0.96:
      H     GLY   21 + HA2   GLY   21  OK    96    96 100 100  2.5-3.0   3.0=100
      H     GLY   21 - HA2   GLY   22  far    0    73   0   -  4.1-5.1
      HE1   HIS+   2 - HA2   GLY   22  far    0    65   0   -  7.5-11.5
      H     GLY   17 - HA2   GLY   21  far    0    75   0   -  8.9-12.4
      H     GLY   17 - HA2   GLY   22  far    0    57   0   -  9.3-13.9
    Violated in 0 structures by 0.00 A.
 
    Peak 179 from 2DNOESY.peaks (7.87, 3.66 ppm; 3.01 A):
    2 out of 3 assignments used, quality = 1.00:
      H     GLY   22 + HA3   GLY   22  OK   100   100 100 100  2.3-3.0   3.0=100
      H     GLY   22 + HA3   GLY   21  OK    32    53  80  76  2.2-3.6   3.6=60, 355/3.0=38
      H     GLY   22 - HB3   SER    4  far    0    99   0   -  4.9-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 180 from 2DNOESY.peaks (7.88, 3.48 ppm; 3.76 A):
    2 out of 2 assignments used, quality = 0.97:
      H     GLY   22 + HA2   GLY   21  OK    92    92 100 100  2.4-3.6   3.6=100
      H     GLY   22 + HA2   GLY   22  OK    66    66 100 100  2.3-3.0   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 181 from 2DNOESY.peaks (8.35, 3.66 ppm; 3.08 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 183 from 2DNOESY.peaks (7.62, 4.00 ppm; 3.66 A):
    1 out of 3 assignments used, quality = 0.99:
      H     SER    4 + HA    SER    4  OK    99    99 100 100  2.8-2.8   3.0=100
      H     SER    4 - HA    ALA   20  far    0    98   0   -  5.0-9.1
      H     SER    4 - HA    PHE    8  far    0    59   0   -  7.5-7.7
    Violated in 0 structures by 0.00 A.
 
    Peak 184 from 2DNOESY.peaks (7.50, 3.99 ppm; 4.01 A):
    1 out of 3 assignments used, quality = 0.98:
      H     ASP    5 + HA    SER    4  OK    98    98 100 100  3.5-3.5   3.6=100
      H     ASP    5 - HA    ALA   20  far    0   100   0   -  6.3-11.2
      H     ASP    5 - HA    PHE    8  far    0    49   0   -  6.3-6.4
    Violated in 0 structures by 0.00 A.
 
    Peak 185 from 2DNOESY.peaks (7.50, 3.72 ppm; 4.78 A):
    1 out of 2 assignments used, quality = 0.99:
      H     ASP    5 + HB2   SER    4  OK    99    99 100 100  3.6-4.1   4.5=100
      H     ASP    5 - HA2   GLY   18  far    0    43   0   -  9.6-15.3
    Violated in 0 structures by 0.00 A.
 
    Peak 186 from 2DNOESY.peaks (7.50, 3.67 ppm; 4.42 A):
    1 out of 4 assignments used, quality = 0.98:
      H     ASP    5 + HB3   SER    4  OK    98    99 100  99  3.8-4.3   4.5=96, 187/99=68
      H     ASP    5 - HD2   PRO    6  far    0    98   0   -  4.8-4.8
      H     ASP    5 - HA3   GLY   22  far    0    98   0   -  6.1-9.7
      H     ASP    5 - HA3   GLY   21  far    0    42   0   -  8.5-12.2
    Violated in 0 structures by 0.00 A.
 
    Peak 187 from 2DNOESY.peaks (7.63, 7.50 ppm; 3.46 A):
    1 out of 1 assignment used, quality = 0.90:
      H     SER    4 + H     ASP    5  OK    90    99 100  91  2.7-2.8   4.5=44, 3.6/232=34...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 188 from 2DNOESY.peaks (7.63, 2.87 ppm; 4.38 A):
    1 out of 1 assignment used, quality = 0.94:
      H     SER    4 + HB3   CYSS   3  OK    94    98 100  96  3.0-3.2   4.6=84, 325/349=73
    Violated in 0 structures by 0.00 A.
 
    Peak 189 from 2DNOESY.peaks (7.63, 3.08 ppm; 4.91 A):
    1 out of 1 assignment used, quality = 0.99:
      H     SER    4 + HB2   CYSS   3  OK    99    99 100 100  3.8-4.0   4.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 190 from 2DNOESY.peaks (7.90, 4.26 ppm; 3.69 A):
    1 out of 1 assignment used, quality = 1.00:
      H     CYSS   3 + HA    CYSS   3  OK   100   100 100 100  2.8-2.8   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 191 from 2DNOESY.peaks (7.63, 4.26 ppm; 4.23 A):
    1 out of 1 assignment used, quality = 1.00:
      H     SER    4 + HA    CYSS   3  OK   100   100 100 100  3.4-3.5   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 192 from 2DNOESY.peaks (7.90, 4.16 ppm; 3.75 A):
    1 out of 2 assignments used, quality = 0.98:
      H     CYSS   3 + HA    HIS+   2  OK    98    98 100 100  3.0-3.5   3.6=100
      H     CYSS   3 - HA    ASN    9  far    0    93   0   -  7.4-7.7
    Violated in 0 structures by 0.00 A.
 
    Peak 193 from 2DNOESY.peaks (8.57, 1.94 ppm; 4.30 A):
    1 out of 2 assignments used, quality = 0.99:
      H     HIS+   2 + HB3   HIS+   2  OK    99    99 100 100  3.6-3.7   3.9=100
      H     ASN    9 - HB3   HIS+   2  far    0    82   0   -  6.4-6.8
    Violated in 0 structures by 0.00 A.
 
    Peak 194 from 2DNOESY.peaks (8.57, 1.74 ppm; 3.87 A):
    1 out of 5 assignments used, quality = 0.97:
      H     HIS+   2 + HB2   HIS+   2  OK    97    97 100  99  2.4-2.6   3.9=99
      H     ASN    9 - HB3   ARG    7  far    0    34   0   -  4.6-4.7
      H     ASN    9 - HB2   PRO    6  far    0    70   0   -  4.8-4.9
      H     ASN    9 - HB2   HIS+   2  far    0    72   0   -  7.2-7.7
      H     HIS+   2 - HB3   ARG    7  far    0    46   0   -  8.6-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 195 from 2DNOESY.peaks (8.57, 7.90 ppm; 3.79 A):
    1 out of 2 assignments used, quality = 0.81:
      H     HIS+   2 + H     CYSS   3  OK    81   100 100  81  1.9-2.4   4.6=56, 194/4.2=42, 220/327=24
      H     ASN    9 - H     CYSS   3  far    0    70   0   -  7.3-7.5
    Violated in 0 structures by 0.00 A.
 
    Peak 196 from 2DNOESY.peaks (8.58, 4.16 ppm; 3.52 A):
    2 out of 4 assignments used, quality = 0.97:
      H     ASN    9 + HA    ASN    9  OK    88    88 100 100  2.9-2.9   3.0=100
      H     HIS+   2 + HA    HIS+   2  OK    75    75 100 100  2.9-2.9   3.0=100
      H     ASN    9 - HA    HIS+   2  far    0    96   0   -  7.7-8.5
      H     HIS+   2 - HA    ASN    9  far    0    68   0   -  8.4-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 197 from 2DNOESY.peaks (8.58, 3.19 ppm; 4.39 A increased from 3.69 A):
    1 out of 2 assignments used, quality = 0.98:
      H     ASN    9 + HB3   PHE    8  OK    98    98 100 100  4.1-4.2   4.3=100
      H     HIS+   2 - HB3   PHE    8  far    0    69   0   -  4.8-5.6
    Violated in 0 structures by 0.00 A.
 
    Peak 198 from 2DNOESY.peaks (8.58, 2.84 ppm; 3.60 A increased from 3.20 A):
    1 out of 4 assignments used, quality = 0.84:
      H     ASN    9 + HB2   PHE    8  OK    84    98 100  86  3.5-3.6   4.3=59, 221/82=57, 5.7/351=15
      H     HIS+   2 - HB3   CYSS   3  far    0    28   0   -  4.4-5.2
      H     HIS+   2 - HB2   PHE    8  far    0    69   0   -  4.8-5.5
      H     ASN    9 - HB3   CYSS   3  far    0    40   0   -  7.6-7.8
    Violated in 0 structures by 0.00 A.
 
    Peak 201 from 2DNOESY.peaks (7.66, 2.78 ppm; 3.09 A):
    1 out of 1 assignment used, quality = 0.95:
      H     TYR   10 + HB2   TYR   10  OK    95   100 100  95  2.3-2.5   86/1.8=71, 3.8=55...(5)
    Violated in 0 structures by 0.00 A.
 
    Peak 202 from 2DNOESY.peaks (7.66, 2.56 ppm; 3.29 A):
    1 out of 2 assignments used, quality = 0.66:
      H     TYR   10 + HB3   ASN    9  OK    66    99 100  67  3.1-3.2   218/84=42, 4.4=41
      H     TYR   10 - HB2   CYSS  16  far    0    76   0   -  5.7-6.5
    Violated in 0 structures by 0.00 A.
 
    Peak 203 from 2DNOESY.peaks (7.66, 2.56 ppm; 3.29 A):
    1 out of 2 assignments used, quality = 0.66:
      H     TYR   10 + HB3   ASN    9  OK    66    99 100  67  3.1-3.2   218/84=42, 4.4=41
      H     TYR   10 - HB2   CYSS  16  far    0    76   0   -  5.7-6.5
    Violated in 0 structures by 0.00 A.
 
    Peak 204 from 2DNOESY.peaks (7.66, 4.15 ppm; 4.01 A):
    1 out of 2 assignments used, quality = 0.97:
      H     TYR   10 + HA    ASN    9  OK    97    97 100 100  3.4-3.4   3.6=100
      H     TYR   10 - HA    HIS+   2  far    0    90   0   -  9.5-10.3
    Violated in 0 structures by 0.00 A.
 
    Peak 205 from 2DNOESY.peaks (6.88, 3.75 ppm; 3.41 A):
    1 out of 1 assignment used, quality = 0.96:
      QD    TYR   10 + HA    TYR   10  OK    96    99 100  97  2.2-3.1   3.7=76, 217/3.0=40...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 206 from 2DNOESY.peaks (6.88, 2.89 ppm; 3.42 A):
    1 out of 1 assignment used, quality = 0.99:
      QD    TYR   10 + HB3   TYR   10  OK    99    99 100 100  2.3-2.6   2.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 207 from 2DNOESY.peaks (6.88, 2.78 ppm; 3.21 A):
    1 out of 1 assignment used, quality = 1.00:
      QD    TYR   10 + HB2   TYR   10  OK   100   100 100 100  2.3-2.7   2.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 208 from 2DNOESY.peaks (7.71, 3.99 ppm; 3.50 A):
    1 out of 5 assignments used, quality = 1.00:
      H     ASP   11 + HA    ASP   11  OK   100   100 100 100  2.9-2.9   3.0=100
      H     PHE    8 - HA    SER    4  far    0    37   0   -  7.3-7.4
      H     PHE    8 - HA    ASP   11  far    0    41   0   -  8.1-8.3
      H     PHE    8 - HA    ALA   20  far    0    38   0   -  8.7-12.4
      H     ASP   11 - HA    GLU   14  far    0    96   0   -  9.9-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 210 from 2DNOESY.peaks (7.71, 3.75 ppm; 4.18 A):
    1 out of 2 assignments used, quality = 1.00:
      H     ASP   11 + HA    TYR   10  OK   100   100 100 100  3.6-3.6   3.6=100
      H     PHE    8 - HA    TYR   10  far    0    41   0   -  6.9-6.9
    Violated in 0 structures by 0.00 A.
 
    Peak 211 from 2DNOESY.peaks (7.71, 2.89 ppm; 3.95 A):
    1 out of 1 assignment used, quality = 0.99:
      H     ASP   11 + HB3   TYR   10  OK    99   100 100  99  2.1-3.8   212/1.8=83, 4.4=73...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 212 from 2DNOESY.peaks (7.71, 2.78 ppm; 3.62 A):
    1 out of 2 assignments used, quality = 0.97:
      H     ASP   11 + HB2   TYR   10  OK    97   100 100  97  2.2-3.5   211/1.8=64, 4.4=56...(6)
      H     PHE    8 - HB2   TYR   10  far    0    41   0   -  5.4-5.7
    Violated in 0 structures by 0.00 A.
 
    Peak 214 from 2DNOESY.peaks (7.71, 7.29 ppm; 3.38 A):
    1 out of 2 assignments used, quality = 0.69:
      H     ASP   11 + H     HIS+  12  OK    69    99 100  69  2.4-2.5   4.6=39, 89/4.5=33, 4.6/216=23
      H     ASP   11 - HE    ARG    7  far    0    92   0   -  4.0-7.6
    Violated in 0 structures by 0.00 A.
 
    Peak 215 from 2DNOESY.peaks (7.71, 6.88 ppm; 4.17 A):
    1 out of 2 assignments used, quality = 0.97:
      H     ASP   11 + QD    TYR   10  OK    97    97 100 100  2.7-3.8   4.4=85, 212/2.5=78...(7)
      H     PHE    8 - QD    TYR   10  far    0    52   0   -  6.8-7.2
    Violated in 0 structures by 0.00 A.
 
    Peak 216 from 2DNOESY.peaks (7.67, 7.29 ppm; 4.65 A):
    1 out of 2 assignments used, quality = 0.63:
      H     TYR   10 + H     HIS+  12  OK    63   100 100  63  3.4-3.5   4.6/214=61
      H     TYR   10 - HE    ARG    7  far   14    92  15   -  4.6-7.5
    Violated in 0 structures by 0.00 A.
 
    Peak 217 from 2DNOESY.peaks (7.67, 6.88 ppm; 4.19 A increased from 3.94 A):
    1 out of 1 assignment used, quality = 0.99:
      H     TYR   10 + QD    TYR   10  OK    99    99 100 100  4.1-4.2   86/2.5=90, 87/2.5=88...(6)
    Violated in 1 structures by 0.00 A.
 
    Peak 218 from 2DNOESY.peaks (8.58, 7.67 ppm; 3.54 A):
    1 out of 2 assignments used, quality = 0.73:
      H     ASN    9 + H     TYR   10  OK    73    99 100  74  1.9-2.0   84/202=52, 4.7=44
      H     HIS+   2 - H     TYR   10  far    0    82   0   -  9.9-10.8
    Violated in 0 structures by 0.00 A.
 
    Peak 219 from 2DNOESY.peaks (6.76, 4.02 ppm; 3.77 A):
    1 out of 4 assignments used, quality = 0.99:
      QD    PHE    8 + HA    PHE    8  OK    99    99 100 100  2.1-2.6   3.7=100
      QD    PHE    8 - HA    ALA   20  far    0    46   0   -  5.4-8.5
      QD    PHE    8 - HA    SER    4  far    0    53   0   -  6.6-6.6
      QD    PHE    8 - HA3   GLY   17  far    0    88   0   -  8.8-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 220 from 2DNOESY.peaks (8.58, 6.76 ppm; 4.11 A):
    1 out of 2 assignments used, quality = 0.65:
      H     HIS+   2 + QD    PHE    8  OK    65    74  95  93  3.1-4.4   3.0/289=51, 3.9/297=46...(5)
      H     ASN    9 - QD    PHE    8  far    0   100   0   -  4.8-4.8
    Violated in 3 structures by 0.01 A.
 
    Peak 221 from 2DNOESY.peaks (8.58, 7.69 ppm; 3.31 A):
    1 out of 3 assignments used, quality = 0.85:
      H     ASN    9 + H     PHE    8  OK    85    98 100  86  2.5-2.5   198/82=45, 4.6=37...(5)
      H     ASN    9 - H     ASP   11  far    0    66   0   -  3.9-4.1
      H     HIS+   2 - H     PHE    8  far    0    69   0   -  7.0-7.7
    Violated in 0 structures by 0.00 A.
 
    Peak 222 from 2DNOESY.peaks (8.58, 7.69 ppm; 3.31 A):
    1 out of 3 assignments used, quality = 0.85:
      H     ASN    9 + H     PHE    8  OK    85    98 100  86  2.5-2.5   198/82=45, 4.6=37...(5)
      H     ASN    9 - H     ASP   11  far    0    66   0   -  3.9-4.1
      H     HIS+   2 - H     PHE    8  far    0    69   0   -  7.0-7.7
    Violated in 0 structures by 0.00 A.
 
    Peak 223 from 2DNOESY.peaks (8.58, 4.01 ppm; 4.21 A):
    1 out of 7 assignments used, quality = 0.99:
      H     ASN    9 + HA    PHE    8  OK    99    99 100 100  3.3-3.3   3.6=100
      H     HIS+   2 - HA    SER    4  far    0    46   0   -  6.4-7.3
      H     HIS+   2 - HA    PHE    8  far    0    82   0   -  6.4-7.6
      H     HIS+   2 - HA    ALA   20  far    0    40   0   -  6.8-9.5
      H     ASN    9 - HA    SER    4  far    0    56   0   -  8.1-8.4
      H     ASN    9 - HA    ALA   20  far    0    49   0   -  8.5-12.1
      H     ASN    9 - HA3   GLY   17  far    0    84   0   -  8.8-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 224 from 2DNOESY.peaks (7.69, 6.76 ppm; 4.31 A increased from 4.05 A):
    1 out of 1 assignment used, quality = 0.98:
      H     PHE    8 + QD    PHE    8  OK    98    98 100 100  4.0-4.1   82/2.5=90, 81/2.5=87...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 225 from 2DNOESY.peaks (7.50, 3.19 ppm; 4.55 A):
    1 out of 1 assignment used, quality = 0.97:
      H     ASP    5 + HB3   PHE    8  OK    97   100 100  97  3.9-4.1   226/1.8=82, 228/452=73
    Violated in 0 structures by 0.00 A.
 
    Peak 226 from 2DNOESY.peaks (7.50, 2.84 ppm; 4.42 A):
    1 out of 1 assignment used, quality = 0.76:
      H     ASP    5 + HB2   PHE    8  OK    76   100 100  76  3.8-4.0   225/1.8=74
    Violated in 0 structures by 0.00 A.
 
    Peak 228 from 2DNOESY.peaks (7.50, 2.98 ppm; 3.32 A):
    1 out of 2 assignments used, quality = 0.86:
      H     ASP    5 + HB3   ASP    5  OK    86    98 100  87  2.4-2.9   4.0=58, 101/1.8=56, 225/452=28
      H     ASP    5 - HD3   ARG    7  far    0    82   0   -  8.5-9.4
    Violated in 0 structures by 0.00 A.
 
    Peak 229 from 2DNOESY.peaks (7.69, 2.46 ppm; 4.46 A):
    1 out of 2 assignments used, quality = 0.93:
      H     PHE    8 + HB2   ASP    5  OK    93    97 100  95  3.6-4.4   231/1.8=91, 81/423=45
      H     ASP   11 - HB2   ASP    5  far    0    36   0   -  8.5-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 230 from 2DNOESY.peaks (7.69, 2.98 ppm; 3.85 A):
    1 out of 4 assignments used, quality = 0.90:
      H     PHE    8 + HB3   ASP    5  OK    90    96 100  94  2.9-3.3   229/1.8=58, 81/452=55...(7)
      H     ASP   11 - HD3   ARG    7  far    0    32   0   -  4.0-6.8
      H     PHE    8 - HD3   ARG    7  far    0    88   0   -  5.0-5.8
      H     ASP   11 - HB3   ASP    5  far    0    35   0   -  8.1-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 231 from 2DNOESY.peaks (7.69, 2.98 ppm; 3.85 A):
    1 out of 4 assignments used, quality = 0.90:
      H     PHE    8 + HB3   ASP    5  OK    90    96 100  94  2.9-3.3   229/1.8=58, 81/452=55...(7)
      H     ASP   11 - HD3   ARG    7  far    0    32   0   -  4.0-6.8
      H     PHE    8 - HD3   ARG    7  far    0    88   0   -  5.0-5.8
      H     ASP   11 - HB3   ASP    5  far    0    35   0   -  8.1-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 232 from 2DNOESY.peaks (7.50, 4.27 ppm; 4.43 A):
    1 out of 1 assignment used, quality = 0.86:
      H     ASP    5 + HA    CYSS   3  OK    86    98 100  87  3.6-3.7   187/3.6=71, 326/3.0=54
    Violated in 0 structures by 0.00 A.
 
    Peak 233 from 2DNOESY.peaks (7.50, 4.16 ppm; 4.67 A):
    1 out of 2 assignments used, quality = 0.84:
      H     ASP    5 + HA    HIS+   2  OK    84   100 100  84  3.8-4.1   187/363=63, 326/3.6=54
      H     ASP    5 - HA    ASN    9  far    0    96   0   -  7.4-7.7
    Violated in 0 structures by 0.00 A.
 
    Peak 237 from 2DNOESY.peaks (7.79, 1.65 ppm; 3.48 A):
    1 out of 1 assignment used, quality = 0.98:
      H     ARG    7 + HB2   ARG    7  OK    98   100 100  98  2.2-2.5   124/1.8=71, 3.9=69...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 239 from 2DNOESY.peaks (7.79, 7.69 ppm; 3.24 A):
    1 out of 3 assignments used, quality = 0.85:
      H     ARG    7 + H     PHE    8  OK    85   100 100  85  2.6-2.7   124/242=38, 4.5=37...(6)
      H     ARG    7 - H     ASP   11  far    0    59   0   -  6.1-6.4
      H     ALA   19 - H     PHE    8  far    0    85   0   -  9.5-13.4
    Violated in 0 structures by 0.00 A.
 
    Peak 240 from 2DNOESY.peaks (7.69, 3.91 ppm; 3.99 A):
    2 out of 2 assignments used, quality = 1.00:
      H     PHE    8 + HA    ARG    7  OK   100   100 100 100  3.5-3.5   3.6=100
      H     ASP   11 + HA    ARG    7  OK    32    40 100  79  3.7-4.0   4.4/422=44, 4.4/421=42...(4)
    Violated in 0 structures by 0.00 A.
 
    Peak 241 from 2DNOESY.peaks (7.69, 2.97 ppm; 3.92 A):
    1 out of 4 assignments used, quality = 0.64:
      H     PHE    8 + HB3   ASP    5  OK    64    70 100  92  2.9-3.3   229/1.8=61, 81/452=49...(7)
      H     ASP   11 - HD3   ARG    7  far    4    37  10   -  4.0-6.8
      H     PHE    8 - HD3   ARG    7  far    0   100   0   -  5.0-5.8
      H     ASP   11 - HB3   ASP    5  far    0    26   0   -  8.1-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 242 from 2DNOESY.peaks (7.69, 1.77 ppm; 3.62 A):
    1 out of 2 assignments used, quality = 0.96:
      H     PHE    8 + HB3   ARG    7  OK    96   100 100  96  2.6-2.8   243/1.8=61, 239/124=53...(6)
      H     ASP   11 - HB3   ARG    7  far    0    41   0   -  5.5-6.0
    Violated in 0 structures by 0.00 A.
 
    Peak 243 from 2DNOESY.peaks (7.69, 1.64 ppm; 4.06 A increased from 3.82 A):
    1 out of 2 assignments used, quality = 0.99:
      H     PHE    8 + HB2   ARG    7  OK    99   100 100 100  3.6-3.9   242/1.8=86, 4.7=66...(6)
      H     ASP   11 - HB2   ARG    7  far    0    37   0   -  6.0-6.3
    Violated in 0 structures by 0.00 A.
 
    Peak 244 from 2DNOESY.peaks (7.69, 1.45 ppm; 4.90 A):
    1 out of 2 assignments used, quality = 0.99:
      H     PHE    8 + HG3   ARG    7  OK    99   100 100 100  4.4-4.9   242/2.9=88, 243/2.9=81...(4)
      H     ASP   11 - HG3   ARG    7  far    0    37   0   -  5.7-6.2
    Violated in 2 structures by 0.00 A.
 
    Peak 245 from 2DNOESY.peaks (7.69, 1.39 ppm; 4.85 A):
    1 out of 4 assignments used, quality = 0.98:
      H     PHE    8 + HG2   ARG    7  OK    98    99 100 100  3.9-4.5   242/2.9=87, 243/2.9=80...(4)
      H     ASP   11 - HG2   ARG    7  poor  10    40 100  24  4.0-4.6   240/3.9=17, 3.9/412=2
      H     ASP   11 - HG13  ILE   15  far    0    39   0   -  8.1-8.4
      H     PHE    8 - HG13  ILE   15  far    0    96   0   -  9.6-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 246 from 2DNOESY.peaks (7.79, 4.79 ppm; 5.05 A):
    1 out of 2 assignments used, quality = 1.00:
      H     ARG    7 + HA    ASP    5  OK   100   100 100 100  4.0-4.2   273/2.5=91, 274/2.5=82...(4)
      H     ALA   19 - HA    ASP    5  far    0    82   0   - 10.0-15.6
    Violated in 0 structures by 0.00 A.
 
    Peak 247 from 2DNOESY.peaks (7.79, 1.86 ppm; 4.35 A):
    1 out of 1 assignment used, quality = 0.91:
      H     ARG    7 + HG3   PRO    6  OK    91    94 100  97  2.4-2.6   273/2.3=79, 274/2.3=66...(4)
    Violated in 0 structures by 0.00 A.
 
    Peak 248 from 2DNOESY.peaks (7.29, 3.99 ppm; 4.35 A):
    1 out of 4 assignments used, quality = 1.00:
      H     HIS+  12 + HA    ASP   11  OK   100   100 100 100  3.4-3.5   3.6=100
      HE    ARG    7 - HA    ASP   11  far    0    85   0   -  6.1-10.0
      H     HIS+  12 - HA    GLU   14  far    0    96   0   -  7.7-7.8
      H     HIS+  12 - HA    ILE   15  far    0    96   0   -  7.9-8.0
    Violated in 0 structures by 0.00 A.
 
    Peak 249 from 2DNOESY.peaks (6.07, 2.25 ppm; 3.99 A):
    1 out of 3 assignments used, quality = 0.91:
      HD2   HIS+  12 + HB2   HIS+  12  OK    91    91 100 100  3.4-3.6   3.9=100
      HD2   HIS+  12 - HB2   ASP   11  far    0    42   0   -  5.5-6.4
      HD2   HIS+  12 - HG3   GLU   14  far    0    91   0   -  7.2-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 250 from 2DNOESY.peaks (6.07, 2.60 ppm; 4.31 A):
    1 out of 1 assignment used, quality = 0.97:
      HD2   HIS+  12 + HB3   HIS+  12  OK    97    97 100 100  2.7-2.8   3.9=100
    Violated in 0 structures by 0.00 A.
 
    Peak 251 from 2DNOESY.peaks (7.29, 1.86 ppm; 5.22 A increased from 4.91 A):
    1 out of 2 assignments used, quality = 0.32:
      HE    ARG    7 + HG3   PRO    6  OK    32    80 100  41  4.2-5.2   7.1/247=35
      H     HIS+  12 - HG3   PRO    6  far    0    97   0   -  9.1-9.4
    Violated in 0 structures by 0.00 A.
 
    Peak 253 from 2DNOESY.peaks (7.29, 2.97 ppm; 3.52 A):
    1 out of 4 assignments used, quality = 0.98:
      HE    ARG    7 + HD3   ARG    7  OK    98    98 100 100  2.3-2.9   2.9=100
      HE    ARG    7 - HB3   ASP    5  far    0    63   0   -  5.7-7.6
      H     HIS+  12 - HD3   ARG    7  far    0    84   0   -  6.1-8.8
      H     HIS+  12 - HB3   ASP    5  far    0    54   0   -  8.6-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 254 from 2DNOESY.peaks (7.29, 1.77 ppm; 4.73 A):
    1 out of 2 assignments used, quality = 0.97:
      HE    ARG    7 + HB3   ARG    7  OK    97    97 100  99  2.8-4.5   4.9=89, 255/1.8=86...(4)
      H     HIS+  12 - HB3   ARG    7  far    0    86   0   -  6.6-7.2
    Violated in 0 structures by 0.00 A.
 
    Peak 255 from 2DNOESY.peaks (7.29, 1.65 ppm; 4.41 A):
    1 out of 2 assignments used, quality = 0.95:
      HE    ARG    7 + HB2   ARG    7  OK    95    99 100  96  2.0-3.6   4.9=72, 254/1.8=70...(4)
      H     HIS+  12 - HB2   ARG    7  far    0    88   0   -  7.5-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 256 from 2DNOESY.peaks (7.29, 1.45 ppm; 4.67 A):
    1 out of 2 assignments used, quality = 0.99:
      HE    ARG    7 + HG3   ARG    7  OK    99    99 100 100  2.5-4.0   3.7=100
      H     HIS+  12 - HG3   ARG    7  far    0    85   0   -  7.1-7.7
    Violated in 0 structures by 0.00 A.
 
    Peak 257 from 2DNOESY.peaks (7.29, 1.39 ppm; 4.09 A):
    1 out of 3 assignments used, quality = 1.00:
      HE    ARG    7 + HG2   ARG    7  OK   100   100 100 100  2.3-4.0   3.7=100
      H     HIS+  12 - HG2   ARG    7  far    0    88   0   -  5.6-6.2
      H     HIS+  12 - HG13  ILE   15  far    0    82   0   -  5.7-5.9
    Violated in 0 structures by 0.00 A.
 
    Peak 258 from 2DNOESY.peaks (3.22, 4.99 ppm; 3.34 A):
    1 out of 1 assignment used, quality = 0.93:
      HD3   PRO   13 + HA    HIS+  12  OK    93    93 100 100  3.0-3.0   2.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 259 from 2DNOESY.peaks (3.06, 4.99 ppm; 3.72 A):
    1 out of 2 assignments used, quality = 0.99:
      HD2   PRO   13 + HA    HIS+  12  OK    99    99 100 100  2.1-2.1   2.5=100
      HB2   CYSS   3 - HA    HIS+  12  far    0    44   0   -  9.5-10.2
    Violated in 0 structures by 0.00 A.
 
    Peak 260 from 2DNOESY.peaks (3.23, 4.19 ppm; 4.60 A):
    1 out of 1 assignment used, quality = 0.96:
      HD3   PRO   13 + HA    PRO   13  OK    96    96 100 100  3.6-3.6   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 261 from 2DNOESY.peaks (3.06, 4.19 ppm; 4.64 A):
    1 out of 2 assignments used, quality = 1.00:
      HD2   PRO   13 + HA    PRO   13  OK   100   100 100 100  4.1-4.1   3.6=100
      HB2   CYSS   3 - HA    PRO   13  far    0    41   0   -  8.8-9.4
    Violated in 0 structures by 0.00 A.
 
    Peak 262 from 2DNOESY.peaks (2.00, 3.23 ppm; 4.53 A):
    1 out of 4 assignments used, quality = 0.99:
      HB3   PRO   13 + HD3   PRO   13  OK    99    99 100 100  3.0-3.0   3.0=100
      HG2   GLU   14 - HD3   PRO   13  far    0    60   0   -  5.2-8.2
      HB3   PRO   13 - HB3   CYSS  16  far    0    63   0   -  7.1-7.4
      HG2   GLU   14 - HB3   CYSS  16  far    0    39   0   -  7.8-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 265 from 2DNOESY.peaks (1.68, 3.23 ppm; 3.19 A):
    1 out of 4 assignments used, quality = 0.97:
      HG3   PRO   13 + HD3   PRO   13  OK    97    97 100 100  3.0-3.0   2.3=100
      HB2   GLU   14 - HD3   PRO   13  far    0    97   0   -  6.1-7.4
      HB2   GLU   14 - HB3   CYSS  16  far    0    66   0   -  8.3-8.9
      HG3   PRO   13 - HB3   CYSS  16  far    0    66   0   -  8.4-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 266 from 2DNOESY.peaks (2.00, 3.06 ppm; 4.27 A):
    1 out of 2 assignments used, quality = 1.00:
      HB3   PRO   13 + HD2   PRO   13  OK   100   100 100 100  3.9-3.9   3.0=100
      HG2   GLU   14 - HD2   PRO   13  poor  10    61  35  44  3.7-6.7   5.0/278=37, ~442=6
    Violated in 0 structures by 0.00 A.
 
    Peak 267 from 2DNOESY.peaks (1.68, 3.06 ppm; 3.28 A):
    1 out of 2 assignments used, quality = 0.97:
      HG3   PRO   13 + HD2   PRO   13  OK    97    97 100 100  2.3-2.3   2.3=100
      HB2   GLU   14 - HD2   PRO   13  far    0    95   0   -  4.7-5.9
    Violated in 0 structures by 0.00 A.
 
    Peak 268 from 2DNOESY.peaks (7.29, 3.23 ppm; 4.67 A):
    1 out of 3 assignments used, quality = 0.99:
      H     HIS+  12 + HD3   PRO   13  OK    99    99 100 100  3.0-3.2   4.8=92, 269/1.8=85...(4)
      H     HIS+  12 - HB3   CYSS  16  far    0    59   0   -  6.8-7.6
      HE    ARG    7 - HD3   PRO   13  far    0    91   0   -  8.2-11.9
    Violated in 0 structures by 0.00 A.
 
    Peak 269 from 2DNOESY.peaks (7.29, 3.06 ppm; 4.39 A):
    1 out of 3 assignments used, quality = 0.97:
      H     HIS+  12 + HD2   PRO   13  OK    97    99 100  98  3.8-3.9   4.8=77, 268/1.8=71...(4)
      H     HIS+  12 - HB2   CYSS   3  far    0    63   0   -  8.8-9.4
      HE    ARG    7 - HD2   PRO   13  far    0    87   0   -  9.6-13.1
    Violated in 0 structures by 0.00 A.
 
    Peak 270 from 2DNOESY.peaks (7.29, 1.69 ppm; 5.50 A increased from 5.29 A):
    1 out of 3 assignments used, quality = 0.47:
      H     HIS+  12 + HB    ILE   15  OK    47    56 100  84  5.3-5.4   4.0/404=70, 94/405=43
      H     HIS+  12 - HG3   PRO   13  far    0    98   0   -  5.6-5.8
      H     HIS+  12 - HB2   GLU   14  far    0    99   0   -  7.9-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 271 from 2DNOESY.peaks (3.66, 4.07 ppm; 5.50 A):
    1 out of 5 assignments used, quality = 0.99:
      HD2   PRO    6 + HA    PRO    6  OK    99    99 100 100  4.1-4.1   3.6=100
      HA3   GLY   21 - HA    ALA   19  far    0    37   0   -  6.0-7.8
      HB3   SER    4 - HA    PRO    6  far    0    97   0   -  8.8-8.9
      HA3   GLY   22 - HA    ALA   19  far    0    90   0   -  9.0-11.0
      HB3   SER    4 - HA    ALA   19  far    0    88   0   -  9.4-14.1
    Violated in 0 structures by 0.00 A.
 
    Peak 272 from 2DNOESY.peaks (3.66, 3.95 ppm; 3.06 A):
    1 out of 2 assignments used, quality = 1.00:
      HD2   PRO    6 + HD3   PRO    6  OK   100   100 100 100  1.8-1.8   1.8=100
      HB3   SER    4 - HD3   PRO    6  far    0   100   0   -  7.7-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 273 from 2DNOESY.peaks (7.79, 3.66 ppm; 3.94 A):
    1 out of 5 assignments used, quality = 0.91:
      H     ARG    7 + HD2   PRO    6  OK    91    99 100  92  2.6-2.7   247/2.3=59, 274/1.8=59...(4)
      H     ALA   19 - HA3   GLY   21  far    0    36   0   -  6.4-8.9
      H     ARG    7 - HB3   SER    4  far    0   100   0   -  8.8-9.2
      H     ALA   19 - HA3   GLY   22  far    0    77   0   -  8.9-11.9
      H     ALA   19 - HB3   SER    4  far    0    78   0   -  9.8-13.9
    Violated in 0 structures by 0.00 A.
 
    Peak 274 from 2DNOESY.peaks (7.79, 3.95 ppm; 4.55 A):
    1 out of 1 assignment used, quality = 0.99:
      H     ARG    7 + HD3   PRO    6  OK    99   100 100  99  3.8-3.9   273/1.8=91, 247/2.3=76...(4)
    Violated in 0 structures by 0.00 A.
 
    Peak 276 from 2DNOESY.peaks (9.34, 4.19 ppm; 4.28 A):
    1 out of 1 assignment used, quality = 0.98:
      H     GLU   14 + HA    PRO   13  OK    98    98 100 100  3.4-3.4   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 277 from 2DNOESY.peaks (9.34, 3.23 ppm; 3.98 A):
    1 out of 2 assignments used, quality = 0.95:
      H     GLU   14 + HD3   PRO   13  OK    95    99 100  95  4.0-4.0   278/1.8=62, 279/2.3=61...(4)
      H     GLU   14 - HB3   CYSS  16  far    0    46   0   -  6.4-6.6
    Violated in 0 structures by 0.00 A.
 
    Peak 278 from 2DNOESY.peaks (9.34, 3.06 ppm; 4.49 A):
    1 out of 2 assignments used, quality = 0.98:
      H     GLU   14 + HD2   PRO   13  OK    98    99 100  99  2.9-2.9   277/1.8=89, 280/2.5=73...(5)
      H     GLU   14 - HB2   CYSS   3  far    0    49   0   -  9.3-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 279 from 2DNOESY.peaks (9.33, 1.68 ppm; 3.34 A):
    2 out of 3 assignments used, quality = 0.79:
      H     GLU   14 + HG3   PRO   13  OK    73    96 100  76  3.1-3.1   277/2.3=47, 278/2.3=38
      H     GLU   14 + HB2   GLU   14  OK    23    96  25  95  3.0-3.7   3.7=74, 144/1.8=62...(5)
      H     GLU   14 - HB    ILE   15  far    0    44   0   -  4.3-4.4
    Violated in 0 structures by 0.00 A.
 
    Peak 280 from 2DNOESY.peaks (9.34, 4.99 ppm; 4.28 A):
    1 out of 1 assignment used, quality = 0.87:
      H     GLU   14 + HA    HIS+  12  OK    87    90 100  96  3.1-3.1   277/2.5=73, 278/2.5=63...(5)
    Violated in 0 structures by 0.00 A.
 
    Peak 281 from 2DNOESY.peaks (7.16, 2.60 ppm; 4.66 A):
    1 out of 1 assignment used, quality = 0.95:
      H     ILE   15 + HB3   HIS+  12  OK    95    96 100  99  4.1-4.4   3.8/404=65, 4.4/411=59...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 282 from 2DNOESY.peaks (7.16, 2.25 ppm; 4.90 A):
    2 out of 3 assignments used, quality = 1.00:
      H     ILE   15 + HB2   HIS+  12  OK    97    98 100 100  2.6-2.8   281/1.8=85, 160/374=53...(8)
      H     ILE   15 + HG3   GLU   14  OK    95    98 100  97  2.4-4.6   146/1.8=79, 159/5.0=58...(7)
      H     ILE   15 - HB2   ASP   11  far    0    52   0   -  9.0-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 283 from 2DNOESY.peaks (7.16, 1.40 ppm; 4.22 A):
    1 out of 1 assignment used, quality = 0.99:
      H     ILE   15 + HG13  ILE   15  OK    99   100 100  99  1.9-2.1   4.5=85, 284/1.8=75...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 284 from 2DNOESY.peaks (7.16, 0.94 ppm; 4.31 A):
    1 out of 1 assignment used, quality = 0.97:
      H     ILE   15 + HG12  ILE   15  OK    97    97 100 100  3.1-3.3   4.5=90, 407/1.8=79...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 285 from 2DNOESY.peaks (7.16, 0.74 ppm; 4.48 A):
    1 out of 1 assignment used, quality = 1.00:
      H     ILE   15 + QG2   ILE   15  OK   100   100 100 100  3.8-3.8   4.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 286 from 2DNOESY.peaks (8.04, 3.98 ppm; 3.79 A):
    2 out of 4 assignments used, quality = 1.00:
      H     CYSS  16 + HA    ILE   15  OK   100   100 100 100  3.4-3.5   3.6=100
      H     CYSS  16 + HA    GLU   14  OK    60   100  75  81  3.8-4.0   160/3.5=62, 161/2.9=43...(4)
      H     CYSS  16 - HA    ALA   20  far    0    82   0   -  5.4-9.8
      H     CYSS  16 - HA    ASP   11  far    0    96   0   -  8.8-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 287 from 2DNOESY.peaks (8.04, 4.18 ppm; 4.24 A increased from 3.99 A):
    1 out of 1 assignment used, quality = 0.77:
      H     CYSS  16 + HA    PRO   13  OK    77    96 100  80  3.9-4.2   354/328=60, 161/3.6=48
    Violated in 0 structures by 0.00 A.
 
    Peak 288 from 2DNOESY.peaks (7.53, 3.25 ppm; 4.30 A):
    0 out of 2 assignments used, quality = 0.00:
      HD21  ASN    9 - HB3   CYSS  16  lone   5   100 100   5  3.4-4.1
      HD21  ASN    9 - HD3   PRO   13  far    0    49   0   -  8.7-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 289 from 2DNOESY.peaks (6.76, 4.15 ppm; 4.66 A increased from 3.92 A):
    1 out of 2 assignments used, quality = 0.88:
      QD    PHE    8 + HA    HIS+   2  OK    88    88 100 100  4.5-4.7   220/3.0=75, 297/3.0=68...(7)
      QD    PHE    8 - HA    ASN    9  far    5    96   5   -  4.6-5.1
    Violated in 1 structures by 0.00 A.
 
    Peak 290 from 2DNOESY.peaks (6.76, 4.26 ppm; 3.29 A):
    1 out of 1 assignment used, quality = 0.67:
      QD    PHE    8 + HA    CYSS   3  OK    67   100 100  67  2.0-2.1   2.2/432=35, 327/3.0=29
    Violated in 0 structures by 0.00 A.
 
    Peak 291 from 2DNOESY.peaks (6.76, 3.19 ppm; 3.33 A):
    1 out of 1 assignment used, quality = 0.99:
      QD    PHE    8 + HB3   PHE    8  OK    99    99 100 100  2.5-2.7   2.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 293 from 2DNOESY.peaks (6.76, 2.98 ppm; 5.50 A increased from 4.76 A):
    1 out of 2 assignments used, quality = 1.00:
      QD    PHE    8 + HB3   ASP    5  OK   100   100 100 100  5.3-5.5   2.5/452=98, 224/230=76...(4)
      QD    PHE    8 - HD3   ARG    7  far    0    70   0   -  6.7-7.9
    Violated in 12 structures by 0.00 A.
 
    Peak 294 from 2DNOESY.peaks (6.76, 2.84 ppm; 3.13 A):
    1 out of 1 assignment used, quality = 1.00:
      QD    PHE    8 + HB2   PHE    8  OK   100   100 100 100  2.3-2.3   2.5=100
    Violated in 0 structures by 0.00 A.
 
    Peak 295 from 2DNOESY.peaks (6.76, 2.25 ppm; 4.96 A increased from 4.41 A):
    1 out of 3 assignments used, quality = 0.99:
      QD    PHE    8 + HB2   HIS+  12  OK    99   100 100 100  4.8-5.0   2.2/301=76, 310/3.9=65...(6)
      QD    PHE    8 - HB2   ASP   11  far    0    46   0   -  6.2-7.3
      QD    PHE    8 - HG3   GLU   14  far    0    99   0   -  8.3-10.7
    Violated in 3 structures by 0.00 A.
 
    Peak 296 from 2DNOESY.peaks (6.76, 1.94 ppm; 4.59 A):
    1 out of 1 assignment used, quality = 1.00:
      QD    PHE    8 + HB3   HIS+   2  OK   100   100 100 100  2.8-3.5   297/1.8=82, 2.2/300=75...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 297 from 2DNOESY.peaks (6.76, 1.74 ppm; 4.43 A):
    1 out of 2 assignments used, quality = 0.99:
      QD    PHE    8 + HB2   HIS+   2  OK    99    99 100 100  2.9-3.3   2.2/304=76, 296/1.8=74...(8)
      QD    PHE    8 - HB2   PRO    6  far    0   100   0   -  8.4-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 298 from 2DNOESY.peaks (6.76, 0.73 ppm; 4.26 A increased from 4.01 A):
    1 out of 1 assignment used, quality = 0.99:
      QD    PHE    8 + QG2   ILE   15  OK    99   100 100  99  3.7-4.1   2.2/306=88, 3.8/307=56...(5)
    Violated in 0 structures by 0.00 A.
 
    Peak 299 from 2DNOESY.peaks (6.76, 0.59 ppm; 4.67 A increased from 4.15 A):
    1 out of 1 assignment used, quality = 0.97:
      QD    PHE    8 + QD1   ILE   15  OK    97    97 100 100  4.2-4.4   2.2/308=94, 3.8/309=73...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 300 from 2DNOESY.peaks (6.68, 1.94 ppm; 4.51 A):
    1 out of 1 assignment used, quality = 0.99:
      QE    PHE    8 + HB3   HIS+   2  OK    99    99 100 100  3.6-4.5   304/1.8=84, 2.2/296=71...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 301 from 2DNOESY.peaks (6.68, 2.25 ppm; 4.94 A increased from 4.16 A):
    1 out of 3 assignments used, quality = 0.99:
      QE    PHE    8 + HB2   HIS+  12  OK    99    99 100 100  4.7-4.7   437/1.8=90, 2.2/295=75...(6)
      QE    PHE    8 - HB2   ASP   11  far    0    43   0   -  7.5-8.4
      QE    PHE    8 - HG3   GLU   14  far    0    98   0   -  7.9-9.9
    Violated in 0 structures by 0.00 A.
 
    Peak 302 from 2DNOESY.peaks (6.58, 2.25 ppm; 5.40 A increased from 5.08 A):
    1 out of 3 assignments used, quality = 0.99:
      HZ    PHE    8 + HB2   HIS+  12  OK    99    99 100 100  5.2-5.3   2.2/301=86, ~437=73...(6)
      HZ    PHE    8 - HG3   GLU   14  far    0    98   0   -  8.3-10.9
      HZ    PHE    8 - HB2   ASP   11  far    0    43   0   -  9.7-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 303 from 2DNOESY.peaks (6.58, 1.94 ppm; 5.26 A):
    1 out of 1 assignment used, quality = 0.93:
      HZ    PHE    8 + HB3   HIS+   2  OK    93    98  95 100  4.4-5.5   2.2/300=90, 305/1.8=89...(5)
    Violated in 1 structures by 0.01 A.
 
    Peak 304 from 2DNOESY.peaks (6.68, 1.74 ppm; 4.27 A):
    1 out of 1 assignment used, quality = 0.99:
      QE    PHE    8 + HB2   HIS+   2  OK    99    99 100 100  2.9-3.4   300/1.8=71, 2.2/297=68...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 305 from 2DNOESY.peaks (6.58, 1.74 ppm; 4.88 A):
    1 out of 1 assignment used, quality = 0.95:
      HZ    PHE    8 + HB2   HIS+   2  OK    95    95 100 100  3.5-3.9   2.2/304=87, 303/1.8=71...(5)
    Violated in 0 structures by 0.00 A.
 
    Peak 306 from 2DNOESY.peaks (6.68, 0.73 ppm; 3.43 A):
    1 out of 1 assignment used, quality = 0.95:
      QE    PHE    8 + QG2   ILE   15  OK    95   100 100  95  2.2-2.7   2.2/307=53, 308/450=51...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 307 from 2DNOESY.peaks (6.58, 0.74 ppm; 3.93 A):
    1 out of 1 assignment used, quality = 0.98:
      HZ    PHE    8 + QG2   ILE   15  OK    98   100 100  98  2.1-2.6   2.2/306=80, 309/450=67...(5)
    Violated in 0 structures by 0.00 A.
 
    Peak 308 from 2DNOESY.peaks (6.68, 0.59 ppm; 3.51 A):
    1 out of 1 assignment used, quality = 0.97:
      QE    PHE    8 + QD1   ILE   15  OK    97   100 100  98  3.1-3.4   2.2/309=67, 306/450=55...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 309 from 2DNOESY.peaks (6.58, 0.59 ppm; 3.46 A):
    1 out of 1 assignment used, quality = 0.92:
      HZ    PHE    8 + QD1   ILE   15  OK    92    98 100  93  3.1-3.3   2.2/308=64, 307/450=45...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 310 from 2DNOESY.peaks (6.76, 6.07 ppm; 4.35 A):
    1 out of 1 assignment used, quality = 0.98:
      QD    PHE    8 + HD2   HIS+  12  OK    98   100 100  98  2.3-2.9   2.2/311=73, 3.7/340=59...(5)
    Violated in 0 structures by 0.00 A.
 
    Peak 311 from 2DNOESY.peaks (6.68, 6.07 ppm; 4.28 A):
    1 out of 1 assignment used, quality = 0.98:
      QE    PHE    8 + HD2   HIS+  12  OK    98    99 100  99  2.3-2.8   2.2/310=70, 2.2/312=58...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 312 from 2DNOESY.peaks (6.58, 6.07 ppm; 4.90 A):
    1 out of 1 assignment used, quality = 0.97:
      HZ    PHE    8 + HD2   HIS+  12  OK    97    97 100  99  3.8-4.5   2.2/311=87, 309/358=67...(5)
    Violated in 0 structures by 0.00 A.
 
    Peak 313 from 2DNOESY.peaks (8.11, 6.07 ppm; 4.77 A):
    1 out of 1 assignment used, quality = 1.00:
      HE1   HIS+  12 + HD2   HIS+  12  OK   100   100 100 100  4.2-4.2   4.2=100
    Violated in 0 structures by 0.00 A.
 
    Peak 314 from 2DNOESY.peaks (8.11, 4.01 ppm; 3.81 A):
    0 out of 4 assignments used, quality = 0.00:
      HE1   HIS+  12 - HA    ASP   11  far    0    53   0   -  5.8-6.6
      HE1   HIS+  12 - HA    PHE    8  far    0    94   0   -  6.6-7.1
      HE1   HIS+  12 - HA    ILE   15  far    0    37   0   -  8.1-8.7
      HE1   HIS+  12 - HA    GLU   14  far    0    37   0   -  9.8-10.2
    Violated in 20 structures by 1.85 A.
 
    Peak 315 from 2DNOESY.peaks (8.11, 2.23 ppm; 3.92 A):
    0 out of 3 assignments used, quality = 0.00:
      HE1   HIS+  12 - HB2   HIS+  12  far    0    49   0   -  4.9-5.0
      HE1   HIS+  12 - HB2   ASP   11  far    0   100   0   -  5.4-6.5
      HE1   HIS+  12 - HG3   GLU   14  far    0    53   0   -  6.4-10.1
    Violated in 20 structures by 0.75 A.
 
    Peak 316 from 2DNOESY.peaks (8.11, 1.86 ppm; 4.07 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 317 from 2DNOESY.peaks (8.11, 6.68 ppm; 4.01 A):
    0 out of 1 assignment used, quality = 0.00:
      HE1   HIS+  12 - QE    PHE    8  far    0    99   0   -  5.4-5.9
    Violated in 20 structures by 1.64 A.
 
    Peak 318 from 2DNOESY.peaks (8.11, 6.76 ppm; 3.73 A):
    0 out of 1 assignment used, quality = 0.00:
      HE1   HIS+  12 - QD    PHE    8  far    0    97   0   -  6.3-6.5
    Violated in 20 structures by 2.61 A.
 
    Peak 319 from 2DNOESY.peaks (8.57, 3.55 ppm; 3.43 A):
    1 out of 1 assignment used, quality = 0.89:
      H     HIS+   2 + HA3   GLY    1  OK    89   100 100  89  2.1-3.1   3.6=88
    Violated in 0 structures by 0.00 A.
 
    Peak 320 from 2DNOESY.peaks (8.57, 3.40 ppm; 3.79 A):
    1 out of 1 assignment used, quality = 1.00:
      H     HIS+   2 + HA2   GLY    1  OK   100   100 100 100  3.2-3.6   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 321 from 2DNOESY.peaks (8.57, 8.36 ppm; 4.50 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 322 from 2DNOESY.peaks (8.36, 7.88 ppm; 4.25 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 323 from 2DNOESY.peaks (7.90, 1.94 ppm; 4.89 A):
    1 out of 1 assignment used, quality = 1.00:
      H     CYSS   3 + HB3   HIS+   2  OK   100   100 100 100  3.8-4.3   4.2=100
    Violated in 0 structures by 0.00 A.
 
    Peak 324 from 2DNOESY.peaks (7.90, 1.74 ppm; 4.71 A):
    1 out of 2 assignments used, quality = 0.99:
      H     CYSS   3 + HB2   HIS+   2  OK    99    99 100 100  2.9-4.0   4.2=100
      H     CYSS   3 - HB3   ARG    7  far    0    40   0   -  8.2-8.7
    Violated in 0 structures by 0.00 A.
 
    Peak 325 from 2DNOESY.peaks (7.90, 7.62 ppm; 3.51 A):
    1 out of 1 assignment used, quality = 0.89:
      H     CYSS   3 + H     SER    4  OK    89    99 100  89  2.6-2.7   4.6=43, 349/188=38...(5)
    Violated in 0 structures by 0.00 A.
 
    Peak 326 from 2DNOESY.peaks (7.90, 7.50 ppm; 4.95 A):
    1 out of 1 assignment used, quality = 0.97:
      H     CYSS   3 + H     ASP    5  OK    97    98 100  99  4.3-4.5   325/187=83, 3.0/232=75
    Violated in 0 structures by 0.00 A.
 
    Peak 327 from 2DNOESY.peaks (7.90, 6.76 ppm; 4.77 A):
    1 out of 1 assignment used, quality = 0.99:
      H     CYSS   3 + QD    PHE    8  OK    99    99 100 100  2.7-3.1   3.0/290=90, 3.6/289=61...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 328 from 2DNOESY.peaks (8.19, 4.18 ppm; 4.03 A increased from 3.80 A):
    1 out of 1 assignment used, quality = 0.53:
      H     GLY   17 + HA    PRO   13  OK    53    99 100  54  3.5-3.8   354/287=52
    Violated in 0 structures by 0.00 A.
 
    Peak 329 from 2DNOESY.peaks (8.19, 2.54 ppm; 4.36 A):
    1 out of 4 assignments used, quality = 0.99:
      H     GLY   17 + HB2   CYSS  16  OK    99    99 100 100  2.3-3.1   4.3=100
      H     GLY   17 - HB3   ASN    9  far    0    76   0   -  6.7-7.4
      H     GLY   21 - HB2   CYSS  16  far    0    69   0   -  6.8-10.0
      H     GLY   21 - HB3   ASN    9  far    0    53   0   -  9.2-12.7
    Violated in 0 structures by 0.00 A.
 
    Peak 330 from 2DNOESY.peaks (8.19, 3.25 ppm; 4.90 A):
    1 out of 3 assignments used, quality = 0.99:
      H     GLY   17 + HB3   CYSS  16  OK    99    99 100 100  2.6-3.6   4.3=100
      H     GLY   21 - HB3   CYSS  16  far    0    77   0   -  5.9-8.6
      H     GLY   17 - HD3   PRO   13  far    0    59   0   -  6.6-7.2
    Violated in 0 structures by 0.00 A.
 
    Peak 331 from 2DNOESY.peaks (8.15, 3.80 ppm; 3.53 A):
    1 out of 1 assignment used, quality = 0.97:
      H     GLY   18 + HA2   GLY   17  OK    97    99 100  98  2.2-3.5   3.6=98
    Violated in 0 structures by 0.00 A.
 
    Peak 332 from 2DNOESY.peaks (8.15, 4.03 ppm; 3.97 A):
    1 out of 2 assignments used, quality = 1.00:
      H     GLY   18 + HA3   GLY   17  OK   100   100 100 100  2.1-3.6   3.6=100
      H     GLY   18 - HA    PHE    8  far    0    82   0   -  9.1-13.2
    Violated in 0 structures by 0.00 A.
 
    Peak 334 from 2DNOESY.peaks (8.18, 3.99 ppm; 3.25 A):
    1 out of 9 assignments used, quality = 0.81:
      H     GLY   21 + HA    ALA   20  OK    81   100 100  81  2.2-2.8   3.6=75, 355/337=21
      H     GLY   17 - HA    GLU   14  lone   4    64  60  11  3.1-3.9   354/286=9
      H     GLY   21 - HA    SER    4  far    0    99   0   -  4.1-9.9
      H     GLY   17 - HA    ILE   15  far    0    64   0   -  4.6-5.7
      H     GLY   17 - HA    ALA   20  far    0    78   0   -  6.0-9.0
      H     GLY   21 - HA    ILE   15  far    0    82   0   -  7.4-12.4
      HE1   HIS+   2 - HA    PHE    8  far    0    47   0   -  7.9-9.7
      H     GLY   17 - HA    PHE    8  far    0    41   0   -  8.4-8.8
      H     GLY   17 - HA    ASP   11  far    0    74   0   -  9.6-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 335 from 2DNOESY.peaks (8.18, 3.64 ppm; 3.02 A):
    1 out of 7 assignments used, quality = 1.00:
      H     GLY   21 + HA3   GLY   21  OK   100   100 100 100  2.3-3.0   3.0=100
      H     GLY   21 - HA3   GLY   22  far    0    53   0   -  4.2-5.3
      H     GLY   21 - HB3   SER    4  far    0    46   0   -  4.8-9.6
      HE1   HIS+   2 - HA3   GLY   22  far    0    45   0   -  7.2-10.6
      HE1   HIS+   2 - HB3   SER    4  far    0    39   0   -  8.7-11.1
      H     GLY   17 - HA3   GLY   21  far    0    74   0   -  9.6-11.9
      H     GLY   17 - HA3   GLY   22  far    0    39   0   -  9.9-13.4
    Violated in 0 structures by 0.00 A.
 
    Peak 336 from 2DNOESY.peaks (8.18, 1.10 ppm; 3.70 A):
    1 out of 3 assignments used, quality = 1.00:
      H     GLY   21 + QB    ALA   20  OK   100   100 100 100  2.3-3.7   3.6=100
      H     GLY   17 - QB    ALA   20  far    0    78   0   -  4.7-9.3
      HE1   HIS+   2 - QB    ALA   20  far    0    88   0   -  8.5-13.3
    Violated in 0 structures by 0.00 A.
 
    Peak 337 from 2DNOESY.peaks (7.87, 3.99 ppm; 5.24 A increased from 4.93 A):
    1 out of 4 assignments used, quality = 0.77:
      H     GLY   22 + HA    ALA   20  OK    77   100  90  86  4.0-5.4   355/3.6=85
      H     GLY   22 - HA    SER    4  far    5    99   5   -  5.2-9.1
      H     GLY   22 - HA    ILE   15  far    0    82   0   -  8.1-11.0
      H     GLY   22 - HA    PHE    8  far    0    53   0   -  9.7-12.3
    Violated in 3 structures by 0.02 A.
 
    Peak 338 from 2DNOESY.peaks (7.88, 1.19 ppm; 4.32 A):
    0 out of 1 assignment used, quality = 0.00:
      H     GLY   22 - QB    ALA   19  far    0   100   0   -  4.9-8.1
    Violated in 20 structures by 2.48 A.
 
    Peak 339 from 2DNOESY.peaks (7.88, 3.50 ppm; 3.89 A):
    2 out of 2 assignments used, quality = 1.00:
      H     GLY   22 + HA2   GLY   22  OK   100   100 100 100  2.3-3.0   3.0=100
      H     GLY   22 + HA2   GLY   21  OK    88    88 100 100  2.4-3.6   3.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 340 from 2DNOESY.peaks (6.07, 4.01 ppm; 4.00 A):
    1 out of 3 assignments used, quality = 0.72:
      HD2   HIS+  12 + HA    PHE    8  OK    72   100 100  72  2.9-3.2   310/3.7=46, 311/434=37
      HD2   HIS+  12 - HA    ASP   11  far    0    37   0   -  6.4-6.9
      HD2   HIS+  12 - HA    ALA   20  far    0    56   0   -  9.3-13.9
    Violated in 0 structures by 0.00 A.
 
    Peak 341 from 2DNOESY.peaks (7.53, 6.72 ppm; 2.40 A):
    1 out of 2 assignments used, quality = 1.00:
      HD21  ASN    9 + HD22  ASN    9  OK   100   100 100 100  1.7-1.7   1.7=100
      HD21  ASN    9 - HD2   HIS+   2  far    0   100   0   -  8.8-9.4
    Violated in 0 structures by 0.00 A.
 
    Peak 342 from 2DNOESY.peaks (7.53, 4.26 ppm; 4.53 A):
    1 out of 1 assignment used, quality = 0.91:
      HD21  ASN    9 + HA    CYSS   3  OK    91    99 100  92  2.1-2.3   1.7/438=72, 350/3.0=68
    Violated in 0 structures by 0.00 A.
 
    Peak 343 from 2DNOESY.peaks (7.53, 4.15 ppm; 4.52 A):
    1 out of 2 assignments used, quality = 0.97:
      HD21  ASN    9 + HA    ASN    9  OK    97    97 100 100  3.7-4.0   4.4=100
      HD21  ASN    9 - HA    HIS+   2  far    0    90   0   -  6.6-6.9
    Violated in 0 structures by 0.00 A.
 
    Peak 345 from 2DNOESY.peaks (7.53, 4.00 ppm; 5.27 A increased from 4.68 A):
    0 out of 5 assignments used, quality = 0.00:
      HD21  ASN    9 - HA    ALA   20  far   15    99  15   -  4.4-9.1
      HD21  ASN    9 - HA    SER    4  lone   8   100  90   9  4.9-5.5
      HD21  ASN    9 - HA    PHE    8  far    0    60   0   -  5.5-5.5
      HD21  ASN    9 - HA    ILE   15  far    0    76   0   -  8.7-9.2
      HD21  ASN    9 - HA    GLU   14  far    0    76   0   -  9.3-10.1
    Violated in 0 structures by 0.00 A.
 
    Peak 346 from 2DNOESY.peaks (7.53, 4.07 ppm; 4.71 A):
    1 out of 2 assignments used, quality = 0.95:
      HD21  ASN    9 + HA    PRO    6  OK    95   100 100  96  4.1-4.5   3.5/386=75, 1.7/440=69
      HD21  ASN    9 - HA    ALA   19  far    0    82   0   -  6.6-10.9
    Violated in 0 structures by 0.00 A.
 
    Peak 347 from 2DNOESY.peaks (7.53, 3.25 ppm; 4.30 A):
    0 out of 2 assignments used, quality = 0.00:
      HD21  ASN    9 - HB3   CYSS  16  lone   5   100 100   5  3.4-4.1
      HD21  ASN    9 - HD3   PRO   13  far    0    53   0   -  8.7-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 349 from 2DNOESY.peaks (7.90, 2.87 ppm; 3.29 A):
    1 out of 1 assignment used, quality = 0.88:
      H     CYSS   3 + HB3   CYSS   3  OK    88   100 100  88  2.7-2.9   103/1.8=58, 3.9=58, 325/188=31
    Violated in 0 structures by 0.00 A.
 
    Peak 350 from 2DNOESY.peaks (7.53, 3.08 ppm; 4.24 A increased from 3.77 A):
    1 out of 2 assignments used, quality = 0.74:
      HD21  ASN    9 + HB2   CYSS   3  OK    74   100 100  74  4.0-4.2   342/3.0=56, ~438=37
      HD21  ASN    9 - HD2   PRO   13  far    0    53   0   -  9.4-9.9
    Violated in 2 structures by 0.00 A.
 
    Peak 351 from 2DNOESY.peaks (7.53, 2.86 ppm; 3.31 A):
    0 out of 2 assignments used, quality = 0.00:
      HD21  ASN    9 - HB2   PHE    8  lone   7    53 100  14  3.0-3.1   5.7/198=12
      HD21  ASN    9 - HB3   CYSS   3  far    0    92   0   -  3.8-4.2
    Violated in 0 structures by 0.00 A.
 
    Peak 352 from 2DNOESY.peaks (7.53, 2.56 ppm; 3.74 A):
    1 out of 2 assignments used, quality = 0.85:
      HD21  ASN    9 + HB3   ASN    9  OK    85   100  85 100  3.6-4.1   3.5=100
      HD21  ASN    9 - HB2   CYSS  16  far   12    82  15   -  3.6-4.4
    Violated in 3 structures by 0.05 A.
 
    Peak 353 from 2DNOESY.peaks (8.19, 4.72 ppm; 4.14 A):
    1 out of 2 assignments used, quality = 0.98:
      H     GLY   17 + HA    CYSS  16  OK    98    98 100 100  3.5-3.6   3.6=100
      H     GLY   21 - HA    CYSS  16  far    0    65   0   -  4.8-8.3
    Violated in 0 structures by 0.00 A.
 
    Peak 354 from 2DNOESY.peaks (8.19, 8.04 ppm; 3.37 A):
    1 out of 2 assignments used, quality = 0.80:
      H     GLY   17 + H     CYSS  16  OK    80    99 100  81  1.9-2.6   4.7=38, 4.3/150=34...(4)
      H     GLY   21 - H     CYSS  16  far    0    65   0   -  7.5-11.1
    Violated in 0 structures by 0.00 A.
 
    Peak 355 from 2DNOESY.peaks (8.18, 7.88 ppm; 3.66 A):
    1 out of 6 assignments used, quality = 0.69:
      H     GLY   21 + H     GLY   22  OK    69    98 100  70  1.9-3.6   4.7=49, 3.6/337=29, 3.0/179=16
      H     GLY   21 - H     CYSS   3  far    0    42   0   -  4.9-6.9
      HE1   HIS+   2 - H     CYSS   3  far    0    33   0   -  6.7-7.9
      HE1   HIS+   2 - H     GLY   22  far    0    77   0   -  8.4-12.0
      H     GLY   17 - H     CYSS   3  far    0    28   0   -  8.9-9.5
      H     GLY   17 - H     GLY   22  far    0    65   0   -  9.2-11.9
    Violated in 0 structures by 0.00 A.
 
    Peak 356 from 2DNOESY.peaks (8.19, 6.72 ppm; 5.04 A):
    1 out of 4 assignments used, quality = 1.00:
      HE1   HIS+   2 + HD2   HIS+   2  OK   100   100 100 100  4.2-4.2   4.2=100
      H     GLY   17 - HD22  ASN    9  far   10    98  10   -  5.1-7.5
      H     GLY   21 - HD22  ASN    9  far    0    85   0   -  7.3-10.8
      H     GLY   21 - HD2   HIS+   2  far    0    85   0   -  8.6-12.8
    Violated in 0 structures by 0.00 A.
 
    Peak 357 from 2DNOESY.peaks (6.07, 1.86 ppm; 4.59 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 358 from 2DNOESY.peaks (6.07, 0.60 ppm; 4.41 A):
    1 out of 1 assignment used, quality = 0.96:
      HD2   HIS+  12 + QD1   ILE   15  OK    96    99 100  97  2.7-3.2   3.9/411=60, 311/308=59...(5)
    Violated in 0 structures by 0.00 A.
 
    Peak 359 from 2DNOESY.peaks (6.07, 4.99 ppm; 4.93 A):
    1 out of 1 assignment used, quality = 0.95:
      HD2   HIS+  12 + HA    HIS+  12  OK    95    95 100 100  4.7-4.8   4.7=100
    Violated in 0 structures by 0.00 A.
 
    Peak 360 from 2DNOESY.peaks (6.76, 3.08 ppm; 5.01 A):
    1 out of 2 assignments used, quality = 0.98:
      QD    PHE    8 + HB2   CYSS   3  OK    98    99 100  99  2.7-2.9   290/3.0=93, 327/103=63, ~432=49
      QD    PHE    8 - HD2   PRO   13  far    0    46   0   -  8.0-8.1
    Violated in 0 structures by 0.00 A.
 
    Peak 361 from 2DNOESY.peaks (8.35, 3.54 ppm; 3.16 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 363 from 2DNOESY.peaks (7.63, 4.16 ppm; 4.47 A):
    1 out of 2 assignments used, quality = 0.87:
      H     SER    4 + HA    HIS+   2  OK    87   100 100  88  3.1-3.7   325/3.6=71, 187/233=55
      H     SER    4 - HA    ASN    9  far    0    98   0   -  8.2-8.5
    Violated in 0 structures by 0.00 A.
 
    Peak 364 from 2DNOESY.peaks (8.58, 4.07 ppm; 4.11 A):
    1 out of 3 assignments used, quality = 0.77:
      H     ASN    9 + HA    PRO    6  OK    77    97 100  79  3.4-3.5   84/386=60, 5.7/346=27
      H     HIS+   2 - HA    PRO    6  far    0    72   0   -  9.8-10.1
      H     HIS+   2 - HA    ALA   19  far    0    54   0   - 10.0-12.6
    Violated in 0 structures by 0.00 A.
 
    Peak 365 from 2DNOESY.peaks (8.58, 2.98 ppm; 5.50 A increased from 4.83 A):
    1 out of 3 assignments used, quality = 0.99:
      H     ASN    9 + HB3   ASP    5  OK    99   100 100  99  5.2-5.5   221/231=89, 4.3/452=79
      H     ASN    9 - HD3   ARG    7  lone   3    73  40  11  5.3-6.8
      H     HIS+   2 - HB3   ASP    5  far    0    70   0   -  6.6-7.4
    Violated in 15 structures by 0.01 A.
 
    Peak 366 from 2DNOESY.peaks (6.88, 6.52 ppm; 2.61 A):
    1 out of 1 assignment used, quality = 1.00:
      QD    TYR   10 + QE    TYR   10  OK   100   100 100 100  2.2-2.2   2.2=100
    Violated in 0 structures by 0.00 A.
 
    Peak 367 from 2DNOESY.peaks (6.82, 6.52 ppm; 3.35 A):
    1 out of 1 assignment used, quality = 1.00:
      HH    TYR   10 + QE    TYR   10  OK   100   100 100 100  2.2-2.6   2.6=100
    Violated in 0 structures by 0.00 A.
 
    Peak 368 from 2DNOESY.peaks (6.52, 6.51 ppm; diagonal):
    1 out of 1 assignment used, quality = 1.00:
      QE    TYR   10 + QE    TYR   10  OK   100   100   - 100
 
    Peak 369 from 2DNOESY.peaks (6.52, 2.78 ppm; 5.15 A):
    1 out of 1 assignment used, quality = 1.00:
      QE    TYR   10 + HB2   TYR   10  OK   100   100 100 100  4.4-4.5   4.4=100
    Violated in 0 structures by 0.00 A.
 
    Peak 370 from 2DNOESY.peaks (6.51, 2.89 ppm; 5.31 A):
    1 out of 1 assignment used, quality = 0.99:
      QE    TYR   10 + HB3   TYR   10  OK    99    99 100 100  4.4-4.5   4.4=100
    Violated in 0 structures by 0.00 A.
 
    Peak 371 from 2DNOESY.peaks (6.52, 3.75 ppm; 5.50 A):
    1 out of 1 assignment used, quality = 1.00:
      QE    TYR   10 + HA    TYR   10  OK   100   100 100 100  4.3-4.7   2.2/205=100, 5.7=92, ~217=63
    Violated in 0 structures by 0.00 A.
 
    Peak 372 from 2DNOESY.peaks (6.88, 3.99 ppm; 4.32 A):
    1 out of 1 assignment used, quality = 0.87:
      QD    TYR   10 + HA    ASP   11  OK    87   100 100  88  3.3-4.3   215/3.0=65, ~212=40, ~211=38
    Violated in 0 structures by 0.00 A.
 
    Peak 373 from 2DNOESY.peaks (6.88, 3.92 ppm; 5.10 A):
    1 out of 1 assignment used, quality = 0.99:
      QD    TYR   10 + HA    ARG    7  OK    99    99 100  99  4.0-4.9   2.5/422=93, 2.5/421=90
    Violated in 0 structures by 0.00 A.
 
    Peak 374 from 2DNOESY.peaks (8.04, 2.26 ppm; 4.85 A):
    2 out of 2 assignments used, quality = 0.92:
      H     CYSS  16 + HB2   HIS+  12  OK    90    96 100  94  3.7-4.1   157/414=48, 151/405=47...(7)
      H     CYSS  16 + HG3   GLU   14  OK    20    94  25  85  4.8-6.5   161/5.0=47, 160/282=31...(6)
    Violated in 0 structures by 0.00 A.
 
    Peak 375 from 2DNOESY.peaks (7.78, 3.58 ppm; 3.81 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 376 from 2DNOESY.peaks (8.15, 7.78 ppm; 3.64 A):
    1 out of 1 assignment used, quality = 0.50:
      H     GLY   18 + H     ALA   19  OK    50    99 100  51  2.2-3.3   4.6=49
    Violated in 0 structures by 0.00 A.
 
    Peak 377 from 2DNOESY.peaks (3.55, 3.40 ppm; 3.20 A):
    1 out of 1 assignment used, quality = 0.98:
      HA3   GLY    1 + HA2   GLY    1  OK    98    98 100 100  1.8-1.8   1.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 378 from 2DNOESY.peaks (1.94, 4.15 ppm; 4.41 A):
    1 out of 2 assignments used, quality = 0.96:
      HB3   HIS+   2 + HA    HIS+   2  OK    96    96 100 100  2.4-2.7   3.0=100
      HB3   HIS+   2 - HA    ASN    9  far    0    98   0   -  7.5-8.2
    Violated in 0 structures by 0.00 A.
 
    Peak 379 from 2DNOESY.peaks (1.74, 4.16 ppm; 4.28 A):
    1 out of 3 assignments used, quality = 0.97:
      HB2   HIS+   2 + HA    HIS+   2  OK    97    97 100 100  3.0-3.0   3.0=100
      HB2   PRO    6 - HA    ASN    9  far    0    93   0   -  7.0-7.1
      HB2   HIS+   2 - HA    ASN    9  far    0    97   0   -  7.7-8.4
    Violated in 0 structures by 0.00 A.
 
    Peak 380 from 2DNOESY.peaks (3.08, 4.26 ppm; 5.22 A):
    1 out of 1 assignment used, quality = 1.00:
      HB2   CYSS   3 + HA    CYSS   3  OK   100   100 100 100  2.6-2.7   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 381 from 2DNOESY.peaks (2.87, 4.26 ppm; 3.56 A):
    1 out of 1 assignment used, quality = 1.00:
      HB3   CYSS   3 + HA    CYSS   3  OK   100   100 100 100  3.0-3.0   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 382 from 2DNOESY.peaks (3.72, 4.00 ppm; 3.34 A):
    1 out of 3 assignments used, quality = 1.00:
      HB2   SER    4 + HA    SER    4  OK   100   100 100 100  2.3-2.6   3.0=100
      HB2   SER    4 - HA    ALA   20  far    0    98   0   -  6.4-12.2
      HB2   SER    4 - HA    PHE    8  far    0    63   0   -  9.9-10.4
    Violated in 0 structures by 0.00 A.
 
    Peak 383 from 2DNOESY.peaks (3.66, 4.00 ppm; 3.11 A):
    1 out of 10 assignments used, quality = 0.99:
      HB3   SER    4 + HA    SER    4  OK    99    99 100 100  2.3-2.6   3.0=100
      HA3   GLY   22 - HA    SER    4  far    0   100   0   -  5.2-9.1
      HA3   GLY   22 - HA    ALA   20  far    0    99   0   -  5.8-7.4
      HB3   SER    4 - HA    ALA   20  far    0    98   0   -  5.9-10.7
      HD2   PRO    6 - HA    SER    4  far    0   100   0   -  7.0-7.0
      HD2   PRO    6 - HA    PHE    8  far    0    63   0   -  7.5-7.6
      HA3   GLY   22 - HA    ILE   15  far    0    73   0   -  8.9-13.1
      HA3   GLY   22 - HA    PHE    8  far    0    63   0   -  9.2-12.2
      HB3   SER    4 - HA    PHE    8  far    0    62   0   -  9.6-10.3
      HD2   PRO    6 - HA    ALA   20  far    0    99   0   -  9.7-15.5
    Violated in 0 structures by 0.00 A.
 
    Peak 384 from 2DNOESY.peaks (2.98, 4.79 ppm; 3.94 A):
    1 out of 2 assignments used, quality = 0.97:
      HB3   ASP    5 + HA    ASP    5  OK    97    97 100 100  3.0-3.0   3.0=100
      HD3   ARG    7 - HA    ASP    5  far    0    56   0   -  7.5-8.6
    Violated in 0 structures by 0.00 A.
 
    Peak 385 from 2DNOESY.peaks (2.46, 4.79 ppm; 4.08 A):
    1 out of 1 assignment used, quality = 0.94:
      HB2   ASP    5 + HA    ASP    5  OK    94    94 100 100  2.3-2.5   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 386 from 2DNOESY.peaks (2.55, 4.07 ppm; 3.66 A):
    1 out of 4 assignments used, quality = 0.68:
      HB3   ASN    9 + HA    PRO    6  OK    68    91 100  75  2.4-2.8   84/364=43, 3.5/346=35
      HB2   CYSS  16 - HA    ALA   19  far    0    77   0   -  6.8-9.1
      HB2   CYSS  16 - HA    PRO    6  far    0    94   0   -  6.8-7.4
      HB3   ASN    9 - HA    ALA   19  far    0    75   0   -  8.6-12.9
    Violated in 0 structures by 0.00 A.
 
    Peak 387 from 2DNOESY.peaks (2.85, 4.07 ppm; 4.18 A):
    0 out of 4 assignments used, quality = 0.00:
      HB2   PHE    8 - HA    PRO    6  far    0    74   0   -  5.3-5.5
      HB3   CYSS   3 - HA    ALA   19  far    0    46   0   -  5.8-9.6
      HB3   CYSS   3 - HA    PRO    6  far    0    53   0   -  7.7-8.1
      HB2   PHE    8 - HA    ALA   19  far    0    65   0   -  9.3-12.5
    Violated in 20 structures by 1.03 A.
 
    Peak 388 from 2DNOESY.peaks (2.11, 4.07 ppm; 3.43 A):
    1 out of 1 assignment used, quality = 1.00:
      HB3   PRO    6 + HA    PRO    6  OK   100   100 100 100  2.3-2.3   2.3=100
    Violated in 0 structures by 0.00 A.
 
    Peak 389 from 2DNOESY.peaks (1.86, 4.07 ppm; 4.36 A):
    1 out of 1 assignment used, quality = 1.00:
      HG3   PRO    6 + HA    PRO    6  OK   100   100 100 100  3.9-3.9   3.8=100
    Violated in 0 structures by 0.00 A.
 
    Peak 390 from 2DNOESY.peaks (1.80, 4.07 ppm; 4.21 A):
    1 out of 2 assignments used, quality = 1.00:
      HG2   PRO    6 + HA    PRO    6  OK   100   100 100 100  4.0-4.0   3.8=100
      HB3   GLU   14 - HA    ALA   19  far    0    78   0   -  9.1-13.6
    Violated in 0 structures by 0.00 A.
 
    Peak 391 from 2DNOESY.peaks (1.74, 4.07 ppm; 4.02 A):
    1 out of 2 assignments used, quality = 0.99:
      HB2   PRO    6 + HA    PRO    6  OK    99    99 100 100  2.7-2.7   2.3=100
      HB2   HIS+   2 - HA    PRO    6  far    0    98   0   -  9.2-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 392 from 2DNOESY.peaks (2.11, 3.66 ppm; 5.02 A):
    1 out of 2 assignments used, quality = 0.99:
      HB3   PRO    6 + HD2   PRO    6  OK    99    99 100 100  3.9-3.9   3.0=100
      HB3   PRO    6 - HB3   SER    4  far    0    97   0   -  9.9-10.0
    Violated in 0 structures by 0.00 A.
 
    Peak 393 from 2DNOESY.peaks (1.86, 3.66 ppm; 3.76 A):
    1 out of 1 assignment used, quality = 0.99:
      HG3   PRO    6 + HD2   PRO    6  OK    99    99 100 100  2.3-2.3   2.3=100
    Violated in 0 structures by 0.00 A.
 
    Peak 394 from 2DNOESY.peaks (1.80, 3.66 ppm; 3.93 A):
    1 out of 1 assignment used, quality = 1.00:
      HG2   PRO    6 + HD2   PRO    6  OK   100   100 100 100  2.7-2.7   2.3=100
    Violated in 0 structures by 0.00 A.
 
    Peak 395 from 2DNOESY.peaks (1.74, 3.66 ppm; 4.24 A):
    1 out of 5 assignments used, quality = 0.98:
      HB2   PRO    6 + HD2   PRO    6  OK    98    98 100 100  4.0-4.0   3.0=100
      HB2   HIS+   2 - HA3   GLY   22  far    0    96   0   -  4.8-7.9
      HB2   HIS+   2 - HB3   SER    4  far    0    94   0   -  6.8-7.6
      HB2   HIS+   2 - HA3   GLY   21  far    0    62   0   -  7.8-10.7
      HB2   HIS+   2 - HD2   PRO    6  far    0    96   0   -  9.1-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 396 from 2DNOESY.peaks (2.97, 3.92 ppm; 3.84 A):
    1 out of 2 assignments used, quality = 0.85:
      HD3   ARG    7 + HA    ARG    7  OK    85    98 100  87  2.0-3.4   4.9=49, 123/3.0=25...(6)
      HB3   ASP    5 - HA    ARG    7  far    0    56   0   -  5.2-5.9
    Violated in 0 structures by 0.00 A.
 
    Peak 397 from 2DNOESY.peaks (1.76, 2.97 ppm; 4.31 A):
    2 out of 2 assignments used, quality = 0.97:
      HB3   ARG    7 + HD3   ARG    7  OK    94    94 100 100  3.4-3.8   3.7=100
      HB3   ARG    7 + HB3   ASP    5  OK    51    69 100  74  3.2-3.9   242/241=60, 124/123=22
    Violated in 0 structures by 0.00 A.
 
    Peak 398 from 2DNOESY.peaks (1.64, 2.97 ppm; 4.20 A):
    1 out of 2 assignments used, quality = 0.97:
      HB2   ARG    7 + HD3   ARG    7  OK    97    97 100 100  2.1-3.1   3.7=100
      HB2   ARG    7 - HB3   ASP    5  poor  19    65  40  73  3.8-4.8   243/241=52, 1.8/397=26
    Violated in 0 structures by 0.00 A.
 
    Peak 399 from 2DNOESY.peaks (1.44, 2.97 ppm; 3.72 A):
    1 out of 2 assignments used, quality = 0.96:
      HG3   ARG    7 + HD3   ARG    7  OK    96    96 100 100  2.6-3.0   3.0=100
      HG3   ARG    7 - HB3   ASP    5  far    0    73   0   -  5.4-6.0
    Violated in 0 structures by 0.00 A.
 
    Peak 400 from 2DNOESY.peaks (1.38, 2.97 ppm; 3.69 A):
    1 out of 2 assignments used, quality = 0.85:
      HG2   ARG    7 + HD3   ARG    7  OK    85    85 100 100  2.4-3.0   3.0=100
      HG2   ARG    7 - HB3   ASP    5  far    0    65   0   -  5.6-6.5
    Violated in 0 structures by 0.00 A.
 
    Peak 401 from 2DNOESY.peaks (3.19, 4.01 ppm; 4.65 A):
    1 out of 3 assignments used, quality = 0.96:
      HB3   PHE    8 + HA    PHE    8  OK    96    96 100 100  2.6-2.6   3.0=100
      HB3   PHE    8 - HA    SER    4  far    0    54   0   -  7.0-7.2
      HB3   PHE    8 - HA    ALA   20  far    0    47   0   -  8.3-11.4
    Violated in 0 structures by 0.00 A.
 
    Peak 402 from 2DNOESY.peaks (2.84, 4.02 ppm; 4.26 A):
    1 out of 4 assignments used, quality = 0.96:
      HB2   PHE    8 + HA    PHE    8  OK    96    96 100 100  3.0-3.0   3.0=100
      HB2   PHE    8 - HA    SER    4  far    0    48   0   -  6.2-6.4
      HB2   PHE    8 - HA    ALA   20  far    0    42   0   -  6.8-9.9
      HB2   PHE    8 - HA3   GLY   17  far    0    88   0   -  9.6-10.6
    Violated in 0 structures by 0.00 A.
 
    Peak 403 from 2DNOESY.peaks (2.55, 4.16 ppm; 3.87 A):
    1 out of 4 assignments used, quality = 0.95:
      HB3   ASN    9 + HA    ASN    9  OK    95    95 100 100  3.0-3.0   3.0=100
      HB2   CYSS  16 - HA    ASN    9  lone   3    87 100   4  2.3-3.0
      HB3   ASN    9 - HA    HIS+   2  far    0    96   0   -  9.1-9.7
      HB2   CYSS  16 - HA    HIS+   2  far    0    88   0   -  9.1-9.8
    Violated in 0 structures by 0.00 A.
 
    Peak 404 from 2DNOESY.peaks (1.70, 2.60 ppm; 3.95 A):
    1 out of 3 assignments used, quality = 0.93:
      HB    ILE   15 + HB3   HIS+  12  OK    93    94 100  99  2.9-3.1   3.2/411=59, 3.0/406=46...(11)
      HG3   PRO   13 - HB3   HIS+  12  far    0    48   0   -  6.6-6.7
      HB2   GLU   14 - HB3   HIS+  12  far    0    53   0   -  7.5-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 405 from 2DNOESY.peaks (1.70, 2.26 ppm; 4.32 A):
    2 out of 7 assignments used, quality = 0.98:
      HB    ILE   15 + HB2   HIS+  12  OK    96    96 100 100  2.0-2.0   404/1.8=86, 2.1/414=52...(12)
      HB2   GLU   14 + HG3   GLU   14  OK    43    43 100 100  2.3-3.0   3.0=100
      HG3   PRO   13 - HG3   GLU   14  poor  16    40  40   -  3.4-6.2
      HB    ILE   15 - HG3   GLU   14  far    0    95   0   -  4.7-7.0
      HG3   PRO   13 - HB2   HIS+  12  far    0    40   0   -  6.1-6.1
      HB2   GLU   14 - HB2   HIS+  12  far    0    44   0   -  6.1-6.4
      HB    ILE   15 - HB2   ASP   11  far    0    39   0   -  8.7-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 406 from 2DNOESY.peaks (1.39, 2.60 ppm; 4.74 A):
    1 out of 2 assignments used, quality = 0.94:
      HG13  ILE   15 + HB3   HIS+  12  OK    94    94 100 100  4.0-4.2   2.1/411=93, 3.0/404=79...(10)
      HG2   ARG    7 - HB3   HIS+  12  far    0    98   0   -  6.5-7.4
    Violated in 0 structures by 0.00 A.
 
    Peak 407 from 2DNOESY.peaks (7.16, 1.40 ppm; 4.22 A):
    1 out of 1 assignment used, quality = 0.99:
      H     ILE   15 + HG13  ILE   15  OK    99   100 100  99  1.9-2.1   4.5=85, 284/1.8=75...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 408 from 2DNOESY.peaks (7.16, 1.40 ppm; 4.22 A):
    1 out of 1 assignment used, quality = 0.99:
      H     ILE   15 + HG13  ILE   15  OK    99   100 100  99  1.9-2.1   4.5=85, 284/1.8=75...(7)
    Violated in 0 structures by 0.00 A.
 
    Peak 409 from 2DNOESY.peaks (0.93, 2.60 ppm; 5.50 A increased from 4.77 A):
    1 out of 1 assignment used, quality = 0.99:
      HG12  ILE   15 + HB3   HIS+  12  OK    99    99 100 100  5.2-5.5   2.1/411=100, 1.8/406=95...(10)
    Violated in 0 structures by 0.00 A.
 
    Peak 410 from 2DNOESY.peaks (0.74, 2.60 ppm; 5.50 A):
    1 out of 1 assignment used, quality = 1.00:
      QG2   ILE   15 + HB3   HIS+  12  OK   100   100 100 100  4.1-4.3   2.1/404=99, 450/411=94...(11)
    Violated in 0 structures by 0.00 A.
 
    Peak 411 from 2DNOESY.peaks (0.59, 2.60 ppm; 3.76 A):
    1 out of 1 assignment used, quality = 0.95:
      QD1   ILE   15 + HB3   HIS+  12  OK    95    96 100  99  3.0-3.2   3.2/404=51, 2.1/406=46...(12)
    Violated in 0 structures by 0.00 A.
 
    Peak 412 from 2DNOESY.peaks (1.40, 2.25 ppm; 4.85 A):
    2 out of 5 assignments used, quality = 0.98:
      HG13  ILE   15 + HB2   HIS+  12  OK    92    92 100 100  2.2-2.4   406/1.8=79, ~411=72...(11)
      HG13  ILE   15 + HG3   GLU   14  OK    70    94  75  99  2.9-5.6   416/1.8=84, ~417=55...(8)
      HG2   ARG    7 - HB2   ASP   11  lone   7    60  95  12  4.0-5.0   245/3.9=5
      HG2   ARG    7 - HB2   HIS+  12  far    0    76   0   -  8.1-9.0
      HG13  ILE   15 - HB2   ASP   11  far    0    73   0   -  8.7-9.0
    Violated in 0 structures by 0.00 A.
 
    Peak 413 from 2DNOESY.peaks (0.93, 2.26 ppm; 5.29 A):
    2 out of 2 assignments used, quality = 0.99:
      HG12  ILE   15 + HB2   HIS+  12  OK    97    97 100 100  3.7-3.8   ~411=81, 409/1.8=77...(11)
      HG12  ILE   15 + HG3   GLU   14  OK    72    96  75 100  3.4-5.9   ~416=73, 417/1.8=72...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 414 from 2DNOESY.peaks (0.74, 2.25 ppm; 5.19 A):
    1 out of 3 assignments used, quality = 0.98:
      QG2   ILE   15 + HB2   HIS+  12  OK    98    98 100 100  3.5-3.5   ~404=76, 410/1.8=74...(14)
      QG2   ILE   15 - HG3   GLU   14  far   10    98  10   -  4.9-6.6
      QG2   ILE   15 - HB2   ASP   11  far    0    59   0   -  8.8-9.1
    Violated in 0 structures by 0.00 A.
 
    Peak 415 from 2DNOESY.peaks (0.59, 2.24 ppm; 4.55 A):
    2 out of 3 assignments used, quality = 0.87:
      QD1   ILE   15 + HB2   HIS+  12  OK    75    75 100 100  2.2-2.4   411/1.8=94, 358/3.9=53...(15)
      QD1   ILE   15 + HG3   GLU   14  OK    49    78  65  96  4.2-6.7   ~416=53, 419/1.8=47...(8)
      QD1   ILE   15 - HB2   ASP   11  far    0    78   0   -  7.1-7.1
    Violated in 0 structures by 0.00 A.
 
    Peak 416 from 2DNOESY.peaks (1.40, 2.01 ppm; 4.63 A):
    1 out of 2 assignments used, quality = 0.97:
      HG13  ILE   15 + HG2   GLU   14  OK    97    98 100  98  2.2-4.3   1.8/417=64, 2.1/419=57...(7)
      HG13  ILE   15 - HB3   PRO   13  far    0    79   0   -  7.6-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 417 from 2DNOESY.peaks (0.92, 2.01 ppm; 5.22 A):
    1 out of 2 assignments used, quality = 0.85:
      HG12  ILE   15 + HG2   GLU   14  OK    85    85 100 100  3.0-4.3   1.8/416=92, 2.1/419=73...(7)
      HG12  ILE   15 - HB3   PRO   13  far    0    65   0   -  9.2-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 418 from 2DNOESY.peaks (0.73, 2.01 ppm; 5.36 A increased from 5.04 A):
    1 out of 2 assignments used, quality = 0.98:
      QG2   ILE   15 + HG2   GLU   14  OK    98    98 100 100  4.5-5.2   3.2/416=79, 3.2/417=69...(7)
      QG2   ILE   15 - HB3   PRO   13  far    0    79   0   -  8.4-8.5
    Violated in 0 structures by 0.00 A.
 
    Peak 419 from 2DNOESY.peaks (0.60, 2.01 ppm; 5.43 A):
    1 out of 2 assignments used, quality = 0.96:
      QD1   ILE   15 + HG2   GLU   14  OK    96    96 100 100  3.7-5.4   2.1/416=92, 2.1/417=82...(7)
      QD1   ILE   15 - HB3   PRO   13  far    0    73   0   -  7.8-7.9
    Violated in 0 structures by 0.00 A.
 
    Peak 420 from 2DNOESY.peaks (1.68, 5.00 ppm; 4.38 A):
    1 out of 2 assignments used, quality = 0.97:
      HG3   PRO   13 + HA    HIS+  12  OK    97   100 100  97  4.2-4.3   4.6=86, 279/280=43...(4)
      HB2   GLU   14 - HA    HIS+  12  far    0    99   0   -  5.5-6.3
    Violated in 0 structures by 0.00 A.
 
    Peak 421 from 2DNOESY.peaks (2.88, 3.91 ppm; 4.05 A):
    1 out of 1 assignment used, quality = 0.85:
      HB3   TYR   10 + HA    ARG    7  OK    85    93 100  91  3.1-3.8   1.8/422=81, 2.5/373=45
    Violated in 0 structures by 0.00 A.
 
    Peak 422 from 2DNOESY.peaks (2.77, 3.91 ppm; 3.86 A):
    1 out of 1 assignment used, quality = 0.81:
      HB2   TYR   10 + HA    ARG    7  OK    81    96 100  84  2.7-3.4   1.8/421=70, 2.5/373=40
    Violated in 0 structures by 0.00 A.
 
    Peak 423 from 2DNOESY.peaks (2.46, 3.19 ppm; 5.40 A):
    1 out of 1 assignment used, quality = 0.99:
      HB2   ASP    5 + HB3   PHE    8  OK    99    99 100 100  4.7-5.4   1.8/452=100, 229/81=80...(4)
    Violated in 0 structures by 0.00 A.
 
    Peak 424 from 2DNOESY.peaks (2.46, 2.98 ppm; 3.60 A):
    1 out of 2 assignments used, quality = 0.96:
      HB2   ASP    5 + HB3   ASP    5  OK    96    96 100 100  1.8-1.8   1.8=100
      HB2   ASP    5 - HD3   ARG    7  far    0    70   0   -  5.3-7.2
    Violated in 0 structures by 0.00 A.
 
    Peak 425 from 2DNOESY.peaks (2.54, 3.08 ppm; 5.48 A increased from 4.39 A):
    0 out of 4 assignments used, quality = 0.00:
      HB2   CYSS  16 - HB2   CYSS   3  lone  10    99 100  11  5.3-5.5
      HB2   CYSS  16 - HD2   PRO   13  far    0    52   0   -  6.6-6.9
      HB3   ASN    9 - HB2   CYSS   3  far    0    66   0   -  7.5-8.2
      HB3   ASN    9 - HD2   PRO   13  far    0    35   0   -  8.0-8.5
    Violated in 0 structures by 0.00 A.
 
    Peak 426 from 2DNOESY.peaks (2.55, 3.25 ppm; 2.80 A):
    1 out of 4 assignments used, quality = 1.00:
      HB2   CYSS  16 + HB3   CYSS  16  OK   100   100 100 100  1.8-1.8   1.8=100
      HB3   ASN    9 - HB3   CYSS  16  far    0    74   0   -  4.8-5.7
      HB2   CYSS  16 - HD3   PRO   13  far    0    49   0   -  6.4-6.8
      HB3   ASN    9 - HD3   PRO   13  far    0    36   0   -  6.7-7.3
    Violated in 0 structures by 0.00 A.
 
    Peak 427 from 2DNOESY.peaks (8.57, 4.16 ppm; 3.58 A):
    2 out of 4 assignments used, quality = 1.00:
      H     HIS+   2 + HA    HIS+   2  OK    99    99 100 100  2.9-2.9   3.0=100
      H     ASN    9 + HA    ASN    9  OK    70    70 100 100  2.9-2.9   3.0=100
      H     ASN    9 - HA    HIS+   2  far    0    73   0   -  7.7-8.5
      H     HIS+   2 - HA    ASN    9  far    0    94   0   -  8.4-9.3
    Violated in 0 structures by 0.00 A.
 
    Peak 428 from 2DNOESY.peaks (8.36, 4.09 ppm; 4.23 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 429 from 2DNOESY.peaks (8.52, 3.91 ppm; 4.89 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 430 from 2DNOESY.peaks (8.43, 3.89 ppm; 3.83 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 431 from 2DNOESY.peaks (8.36, 8.56 ppm; 4.46 A):
    0 out of 0 assignments used, quality = 0.00:
 
    Peak 432 from 2DNOESY.peaks (6.69, 4.26 ppm; 4.60 A increased from 4.09 A):
    1 out of 1 assignment used, quality = 0.98:
      QE    PHE    8 + HA    CYSS   3  OK    98    99 100  99  4.2-4.4   2.2/290=96, ~327=40, ~360=38
    Violated in 0 structures by 0.00 A.
 
    Peak 433 from 2DNOESY.peaks (6.69, 4.15 ppm; 5.50 A increased from 4.66 A):
    1 out of 2 assignments used, quality = 0.93:
      QE    PHE    8 + HA    HIS+   2  OK    93    93 100 100  5.1-5.5   2.2/289=92, 304/3.0=88...(8)
      QE    PHE    8 - HA    ASN    9  far    0    98   0   -  6.1-6.5
    Violated in 11 structures by 0.00 A.
 
    Peak 434 from 2DNOESY.peaks (6.69, 4.01 ppm; 4.59 A):
    1 out of 5 assignments used, quality = 0.86:
      QE    PHE    8 + HA    PHE    8  OK    86    97 100  89  4.2-4.4   311/340=56, 5.6=54, ~224=44
      QE    PHE    8 - HA    ALA   20  far    3    66   5   -  4.6-9.1
      QE    PHE    8 - HA    SER    4  far    0    72   0   -  8.2-8.3
      QE    PHE    8 - HA    ASP   11  far    0    46   0   -  8.5-8.9
      QE    PHE    8 - HA3   GLY   17  far    0    69   0   -  8.9-9.5
    Violated in 0 structures by 0.00 A.
 
    Peak 435 from 2DNOESY.peaks (6.69, 3.19 ppm; 4.66 A increased from 4.15 A):
    1 out of 1 assignment used, quality = 0.99:
      QE    PHE    8 + HB3   PHE    8  OK    99    99 100 100  4.4-4.5   4.4=100
    Violated in 0 structures by 0.00 A.
 
    Peak 436 from 2DNOESY.peaks (6.69, 2.84 ppm; 4.43 A increased from 3.94 A):
    1 out of 2 assignments used, quality = 0.97:
      QE    PHE    8 + HB2   PHE    8  OK    97    97 100 100  4.4-4.4   4.4=100
      QE    PHE    8 - HB3   CYSS   3  far    0    36   0   -  5.1-5.4
    Violated in 0 structures by 0.00 A.
 
    Peak 437 from 2DNOESY.peaks (6.69, 2.60 ppm; 4.44 A):
    1 out of 1 assignment used, quality = 0.95:
      QE    PHE    8 + HB3   HIS+  12  OK    95    96 100  99  4.2-4.5   308/411=66, 301/1.8=65...(6)
    Violated in 1 structures by 0.00 A.
 
    Peak 438 from 2DNOESY.peaks (6.72, 4.26 ppm; 4.80 A):
    1 out of 2 assignments used, quality = 0.93:
      HD22  ASN    9 + HA    CYSS   3  OK    93    99 100  94  2.9-3.4   1.7/342=86, ~350=53
      HD2   HIS+   2 - HA    CYSS   3  far    0    99   0   -  7.0-7.4
    Violated in 0 structures by 0.00 A.
 
    Peak 439 from 2DNOESY.peaks (6.72, 4.15 ppm; 3.95 A):
    2 out of 4 assignments used, quality = 0.83:
      HD22  ASN    9 + HA    ASN    9  OK    71    99 100  72  2.1-3.3   4.4=71
      HD2   HIS+   2 + HA    HIS+   2  OK    42    95  70  62  2.3-4.8   4.7=61
      HD22  ASN    9 - HA    HIS+   2  far    0    95   0   -  6.7-7.8
      HD2   HIS+   2 - HA    ASN    9  far    0    99   0   -  9.6-11.3
    Violated in 0 structures by 0.00 A.
 
    Peak 440 from 2DNOESY.peaks (6.72, 4.06 ppm; 5.12 A):
    1 out of 3 assignments used, quality = 0.93:
      HD22  ASN    9 + HA    PRO    6  OK    93    93 100  99  3.0-5.0   1.7/346=88, 3.5/386=83
      HD22  ASN    9 - HA    ALA   19  far    0    66   0   -  8.2-12.0
      HD2   HIS+   2 - HA    PRO    6  far    0    93   0   -  9.7-12.0
    Violated in 0 structures by 0.00 A.
 
    Peak 441 from 2DNOESY.peaks (2.60, 4.99 ppm; 5.50 A):
    1 out of 1 assignment used, quality = 0.95:
      HB3   HIS+  12 + HA    HIS+  12  OK    95    95 100 100  3.0-3.0   3.0=100
    Violated in 0 structures by 0.00 A.
 
    Peak 442 from 2DNOESY.peaks (2.26, 4.99 ppm; 3.95 A):
    1 out of 2 assignments used, quality = 0.95:
      HB2   HIS+  12 + HA    HIS+  12  OK    95    95 100 100  2.5-2.5   3.0=100
      HG3   GLU   14 - HA    HIS+  12  poor  14    93  40  37  3.3-7.3   5.0/280=33, ~266=3
    Violated in 0 structures by 0.00 A.
 
    Peak 443 from 2DNOESY.peaks (2.54, 4.72 ppm; 3.98 A):
    1 out of 2 assignments used, quality = 0.92:
      HB2   CYSS  16 + HA    CYSS  16  OK    92    92 100 100  3.0-3.0   3.0=100
      HB3   ASN    9 - HA    CYSS  16  far    0    55   0   -  7.3-8.1
    Violated in 0 structures by 0.00 A.
 
    Peak 444 from 2DNOESY.peaks (3.25, 4.72 ppm; 5.50 A):
    1 out of 2 assignments used, quality = 0.94:
      HB3   CYSS  16 + HA    CYSS  16  OK    94    94 100 100  2.6-2.7   3.0=100
      HD3   PRO   13 - HA    CYSS  16  far    0    47   0   -  8.9-9.2
    Violated in 0 structures by 0.00 A.
 
    Peak 445 from 2DNOESY.peaks (0.74, 1.71 ppm; 3.96 A):
    1 out of 3 assignments used, quality = 1.00:
      QG2   ILE   15 + HB    ILE   15  OK   100   100 100 100  2.1-2.1   2.1=100
      QG2   ILE   15 - HB2   GLU   14  far    0    49   0   -  5.8-6.8
      QG2   ILE   15 - HG3   PRO   13  far    0    46   0   -  7.9-8.0
    Violated in 0 structures by 0.00 A.
 
    Peak 446 from 2DNOESY.peaks (0.73, 1.40 ppm; 4.09 A):
    1 out of 2 assignments used, quality = 0.98:
      QG2   ILE   15 + QG1   ILE   15  OK    98    98 100 100  2.3-2.4   2.3=100
      QG2   ILE   15 - HG2   ARG    7  far    0    76   0   -  8.7-9.6
    Violated in 0 structures by 0.00 A.
 
    Peak 447 from 2DNOESY.peaks (0.59, 1.71 ppm; 3.54 A):
    1 out of 3 assignments used, quality = 1.00:
      QD1   ILE   15 + HB    ILE   15  OK   100   100 100 100  2.3-2.4   3.2=100
      QD1   ILE   15 - HB2   GLU   14  far    0    49   0   -  5.6-6.4
      QD1   ILE   15 - HG3   PRO   13  far    0    46   0   -  6.8-6.9
    Violated in 0 structures by 0.00 A.
 
    Peak 448 from 2DNOESY.peaks (0.73, 0.93 ppm; 3.70 A):
    1 out of 1 assignment used, quality = 0.99:
      QG2   ILE   15 + HG12  ILE   15  OK    99    99 100 100  2.4-2.4   3.2=100
    Violated in 0 structures by 0.00 A.
 
    Peak 449 from 2DNOESY.peaks (0.60, 0.93 ppm; 3.44 A):
    1 out of 1 assignment used, quality = 0.95:
      QD1   ILE   15 + HG12  ILE   15  OK    95    95 100 100  2.1-2.1   2.1=100
    Violated in 0 structures by 0.00 A.
 
    Peak 450 from 2DNOESY.peaks (0.59, 0.74 ppm; 3.02 A):
    1 out of 1 assignment used, quality = 0.96:
      QD1   ILE   15 + QG2   ILE   15  OK    96    98 100  98  2.0-2.1   3.1=90, 308/306=35...(8)
    Violated in 0 structures by 0.00 A.
 
    Peak 451 from 2DNOESY.peaks (2.56, 2.85 ppm; 2.72 A):
    0 out of 4 assignments used, quality = 0.00:
      HB2   CYSS  16 - HB2   PHE    8  far    0    59   0   -  4.9-5.8
      HB3   ASN    9 - HB2   PHE    8  far    0    76   0   -  5.0-5.4
      HB2   CYSS  16 - HB3   CYSS   3  far    0    57   0   -  6.1-6.3
      HB3   ASN    9 - HB3   CYSS   3  far    0    73   0   -  7.4-8.2
    Violated in 20 structures by 1.68 A.
 
    Peak 452 from 2DNOESY.peaks (2.98, 3.19 ppm; 3.74 A):
    1 out of 2 assignments used, quality = 0.90:
      HB3   ASP    5 + HB3   PHE    8  OK    90   100 100  90  3.4-3.7   231/81=51, 228/225=41...(5)
      HD3   ARG    7 - HB3   PHE    8  far    0    65   0   -  6.7-7.4
    Violated in 0 structures by 0.00 A.
 
    Average quality of peak assignments : 0.866
    Average number of used assignments  : 0.997
    Peaks with increased upper limit    : 34
    Peaks with decreased upper limit    : 0
 
    Protons used in less than 30% of expected peaks:
    Peak observation distance: 3.47 A
    Atom  Residue     Shift  Peaks   Used Expect
    HB2   PRO    6    1.738      5      2      7
    HB3   PRO    6    2.114      2      2      7
    HA    ILE   15    3.983     10      2      7
    QG1   ILE   15    1.399      1      1     11
 
    Peaks:
      selected                               :    317
      assigned                               :    292
      unassigned                             :     25
        without assignment possibility       :     12
        with violation below 0.5 A           :      5
        with violation between 0.5 and 3.0 A :      8
        with violation above 3.0 A           :      0
      with diagonal assignment               :      1
    Cross peaks:
      with off-diagonal assignment           :    291
      with unique assignment                 :    267
      with short-range assignment    |i-j|<=1:    223
      with medium-range assignment 1<|i-j|<5 :     46
      with long-range assignment     |i-j|>=5:     22

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HN       GLY   1   3.360  -3.997  -2.579
    2    HA2  GLY   1           HA2      GLY   1   2.876  -4.567  -5.184
    3    HA3  GLY   1           HA1      GLY   1   1.259  -4.416  -4.509
    4    H    HIS   2           HN       HIS   2   0.425  -2.519  -4.935
    5    HA   HIS   2           HA       HIS   2   2.048  -0.205  -5.504
    6    HB2  HIS   2           HB2      HIS   2  -0.049  -0.747  -6.737
    7    HB3  HIS   2           HB1      HIS   2  -0.964  -0.480  -5.262
    8    HD1  HIS   2           HD1      HIS   2   1.697   1.733  -6.880
    9    HD2  HIS   2           HD2      HIS   2  -2.296   1.808  -5.738
   10    HE1  HIS   2           HE1      HIS   2   0.902   4.071  -7.352
   11    HE2  HIS   2           HE2      HIS   2  -1.412   4.162  -6.349
   12    H    CYS   3           HN       CYS   3   2.427  -1.194  -2.897
   13    HA   CYS   3           HA       CYS   3   0.935   0.233  -0.952
   14    HB2  CYS   3           HB2      CYS   3   3.673  -1.011  -0.685
   15    HB3  CYS   3           HB1      CYS   3   2.571  -0.599   0.629
   16    H    SER   4           HN       SER   4   3.142   1.375  -3.143
   17    HA   SER   4           HA       SER   4   4.488   3.288  -1.482
   18    HB2  SER   4           HB2      SER   4   4.914   4.294  -3.894
   19    HB3  SER   4           HB1      SER   4   5.739   2.822  -3.379
   20    HG   SER   4           HG       SER   4   4.888   2.339  -5.334
   21    H    ASP   5           HN       ASP   5   1.446   2.949  -2.820
   22    HA   ASP   5           HA       ASP   5   0.788   5.749  -3.126
   23    HB2  ASP   5           HB2      ASP   5  -0.136   3.834  -4.518
   24    HB3  ASP   5           HB1      ASP   5  -1.057   3.359  -3.100
   25    HA   PRO   6           HA       PRO   6  -0.269   6.247   1.199
   26    HB2  PRO   6           HB2      PRO   6  -1.735   8.534   0.917
   27    HB3  PRO   6           HB1      PRO   6   0.032   8.509   0.918
   28    HG2  PRO   6           HG2      PRO   6  -1.860   8.551  -1.413
   29    HG3  PRO   6           HG1      PRO   6  -0.393   9.523  -1.147
   30    HD2  PRO   6           HD2      PRO   6  -0.350   7.376  -2.739
   31    HD3  PRO   6           HD1      PRO   6   1.023   7.748  -1.675
   32    H    ARG   7           HN       ARG   7  -2.653   6.478  -1.388
   33    HA   ARG   7           HA       ARG   7  -4.919   6.088   0.318
   34    HB2  ARG   7           HB2      ARG   7  -4.439   6.301  -2.602
   35    HB3  ARG   7           HB1      ARG   7  -5.888   5.449  -2.096
   36    HG2  ARG   7           HG2      ARG   7  -5.149   8.255  -1.304
   37    HG3  ARG   7           HG1      ARG   7  -6.309   7.805  -2.554
   38    HD2  ARG   7           HD2      ARG   7  -6.499   7.355   0.413
   39    HD3  ARG   7           HD1      ARG   7  -7.587   8.282  -0.619
   40    HE   ARG   7           HE       ARG   7  -7.556   5.614  -1.496
   41   HH11  ARG   7          HH11      ARG   7  -8.713   7.551   1.176
   42   HH12  ARG   7          HH12      ARG   7  -9.965   6.439   1.617
   43   HH21  ARG   7          HH21      ARG   7  -9.223   4.113  -0.912
   44   HH22  ARG   7          HH22      ARG   7 -10.250   4.487   0.432
   45    H    PHE   8           HN       PHE   8  -3.135   4.036  -1.952
   46    HA   PHE   8           HA       PHE   8  -4.708   1.767  -1.796
   47    HB2  PHE   8           HB2      PHE   8  -2.750   2.142  -3.338
   48    HB3  PHE   8           HB1      PHE   8  -1.701   1.677  -2.001
   49    HD1  PHE   8           HD2      PHE   8  -4.822   0.382  -3.595
   50    HD2  PHE   8           HD1      PHE   8  -0.941  -0.484  -2.082
   51    HE1  PHE   8           HE2      PHE   8  -5.117  -1.984  -4.202
   52    HE2  PHE   8           HE1      PHE   8  -1.229  -2.850  -2.687
   53    HZ   PHE   8           HZ       PHE   8  -3.318  -3.603  -3.748
   54    H    ASN   9           HN       ASN   9  -2.145   2.767   0.442
   55    HA   ASN   9           HA       ASN   9  -2.037   0.377   1.930
   56    HB2  ASN   9           HB2      ASN   9  -1.376   3.232   2.623
   57    HB3  ASN   9           HB1      ASN   9  -1.230   1.943   3.813
   58   HD21  ASN   9          HD21      ASN   9   0.407   3.689   1.588
   59   HD22  ASN   9          HD22      ASN   9   1.707   2.600   1.250
   60    H    TYR  10           HN       TYR  10  -4.047   3.249   2.250
   61    HA   TYR  10           HA       TYR  10  -5.386   2.320   4.614
   62    HB2  TYR  10           HB2      TYR  10  -5.143   4.723   4.166
   63    HB3  TYR  10           HB1      TYR  10  -6.072   4.550   2.682
   64    HD1  TYR  10           HD1      TYR  10  -6.582   3.426   6.220
   65    HD2  TYR  10           HD2      TYR  10  -8.146   5.514   2.860
   66    HE1  TYR  10           HE1      TYR  10  -8.667   3.840   7.456
   67    HE2  TYR  10           HE2      TYR  10 -10.235   5.936   4.087
   68    HH   TYR  10           HH       TYR  10 -10.860   4.467   7.204
   69    H    ASP  11           HN       ASP  11  -6.038   2.444   1.178
   70    HA   ASP  11           HA       ASP  11  -8.719   1.581   1.200
   71    HB2  ASP  11           HB2      ASP  11  -7.279   2.639  -0.699
   72    HB3  ASP  11           HB1      ASP  11  -6.810   0.979  -1.045
   73    H    HIS  12           HN       HIS  12  -5.653  -0.142   0.957
   74    HA   HIS  12           HA       HIS  12  -7.070  -2.630   1.561
   75    HB2  HIS  12           HB2      HIS  12  -5.286  -2.097  -0.782
   76    HB3  HIS  12           HB1      HIS  12  -5.384  -3.721  -0.097
   77    HD1  HIS  12           HD1      HIS  12  -7.987  -4.576   0.185
   78    HD2  HIS  12           HD2      HIS  12  -7.204  -1.609  -2.620
   79    HE1  HIS  12           HE1      HIS  12  -9.980  -4.558  -1.360
   80    HE2  HIS  12           HE2      HIS  12  -9.599  -2.546  -2.837
   81    HA   PRO  13           HA       PRO  13  -3.387  -2.039   4.295
   82    HB2  PRO  13           HB2      PRO  13  -4.684  -2.781   6.568
   83    HB3  PRO  13           HB1      PRO  13  -4.670  -1.122   5.964
   84    HG2  PRO  13           HG2      PRO  13  -6.784  -3.222   5.695
   85    HG3  PRO  13           HG1      PRO  13  -6.961  -1.493   6.050
   86    HD2  PRO  13           HD2      PRO  13  -7.389  -2.530   3.585
   87    HD3  PRO  13           HD1      PRO  13  -6.762  -0.889   3.837
   88    H    GLU  14           HN       GLU  14  -5.735  -4.614   3.858
   89    HA   GLU  14           HA       GLU  14  -4.214  -6.603   5.207
   90    HB2  GLU  14           HB2      GLU  14  -5.807  -8.019   3.454
   91    HB3  GLU  14           HB1      GLU  14  -6.207  -7.585   5.105
   92    HG2  GLU  14           HG2      GLU  14  -8.055  -6.998   3.776
   93    HG3  GLU  14           HG1      GLU  14  -7.252  -5.493   4.201
   94    H    ILE  15           HN       ILE  15  -4.423  -5.592   1.834
   95    HA   ILE  15           HA       ILE  15  -2.899  -7.720   0.774
   96    HB   ILE  15           HB       ILE  15  -3.219  -4.922  -0.318
   97   HG12  ILE  15          HG12      ILE  15  -4.780  -7.470  -0.793
   98   HG13  ILE  15          HG11      ILE  15  -5.372  -5.993  -0.047
   99   HG21  ILE  15          HG21      ILE  15  -1.469  -6.928  -1.140
  100   HG22  ILE  15          HG22      ILE  15  -1.943  -5.493  -2.049
  101   HG23  ILE  15          HG23      ILE  15  -2.818  -7.008  -2.274
  102   HD11  ILE  15          HD11      ILE  15  -4.675  -6.460  -2.926
  103   HD12  ILE  15          HD12      ILE  15  -4.916  -4.850  -2.251
  104   HD13  ILE  15          HD13      ILE  15  -6.234  -6.022  -2.231
  105    H    CYS  16           HN       CYS  16  -1.956  -4.428   1.749
  106    HA   CYS  16           HA       CYS  16   0.805  -4.924   1.186
  107    HB2  CYS  16           HB2      CYS  16  -0.626  -2.651   2.551
  108    HB3  CYS  16           HB1      CYS  16   1.126  -2.699   2.366
  109    H    GLY  17           HN       GLY  17  -1.141  -4.758   4.147
  110    HA2  GLY  17           HA2      GLY  17  -0.776  -5.711   6.208
  111    HA3  GLY  17           HA1      GLY  17   0.589  -6.569   5.512
  112    H    GLY  18           HN       GLY  18   2.481  -5.008   4.981
  113    HA2  GLY  18           HA2      GLY  18   2.909  -2.657   6.429
  114    HA3  GLY  18           HA1      GLY  18   3.452  -3.998   7.429
  115    H    ALA  19           HN       ALA  19   3.586  -3.796   3.913
  116    HA   ALA  19           HA       ALA  19   6.403  -3.182   3.887
  117    HB1  ALA  19           HB1      ALA  19   6.308  -5.565   2.391
  118    HB2  ALA  19           HB2      ALA  19   5.554  -5.919   3.945
  119    HB3  ALA  19           HB3      ALA  19   7.190  -5.261   3.888
  120    H    ALA  20           HN       ALA  20   7.010  -2.319   1.975
  121    HA   ALA  20           HA       ALA  20   5.043  -1.503   0.131
  122    HB1  ALA  20           HB1      ALA  20   7.894  -1.097   0.527
  123    HB2  ALA  20           HB2      ALA  20   6.665   0.010  -0.084
  124    HB3  ALA  20           HB3      ALA  20   7.439  -1.140  -1.176
  125    H    GLY  21           HN       GLY  21   7.099  -4.280   0.251
  126    HA2  GLY  21           HA2      GLY  21   7.166  -4.997  -2.463
  127    HA3  GLY  21           HA1      GLY  21   7.370  -6.097  -1.112
  128    H    GLY  22           HN       GLY  22   4.492  -4.972  -0.368
  129    HA2  GLY  22           HA2      GLY  22   3.081  -7.244  -1.254
  130    HA3  GLY  22           HA1      GLY  22   2.363  -5.807  -0.541
  Start of MODEL    2
    1    H1   GLY   1           HN       GLY   1   3.560  -3.933  -6.208
    2    HA2  GLY   1           HA2      GLY   1   5.160  -1.664  -6.249
    3    HA3  GLY   1           HA1      GLY   1   4.061  -2.131  -7.536
    4    H    HIS   2           HN       HIS   2   1.613  -1.840  -6.128
    5    HA   HIS   2           HA       HIS   2   1.389   1.042  -6.245
    6    HB2  HIS   2           HB2      HIS   2  -0.293  -0.750  -7.152
    7    HB3  HIS   2           HB1      HIS   2  -0.879  -0.779  -5.495
    8    HD1  HIS   2           HD1      HIS   2  -1.229   1.995  -4.649
    9    HD2  HIS   2           HD2      HIS   2  -1.842   0.893  -8.613
   10    HE1  HIS   2           HE1      HIS   2  -2.727   3.765  -5.620
   11    HE2  HIS   2           HE2      HIS   2  -2.962   3.157  -8.050
   12    H    CYS   3           HN       CYS   3   2.172  -1.138  -3.856
   13    HA   CYS   3           HA       CYS   3   0.705  -0.020  -1.680
   14    HB2  CYS   3           HB2      CYS   3   3.163  -1.773  -1.688
   15    HB3  CYS   3           HB1      CYS   3   2.225  -1.358  -0.254
   16    H    SER   4           HN       SER   4   3.143   1.275  -3.480
   17    HA   SER   4           HA       SER   4   4.637   2.560  -1.391
   18    HB2  SER   4           HB2      SER   4   5.583   2.191  -3.672
   19    HB3  SER   4           HB1      SER   4   4.392   3.316  -4.322
   20    HG   SER   4           HG       SER   4   5.445   4.703  -2.485
   21    H    ASP   5           HN       ASP   5   1.699   2.970  -3.031
   22    HA   ASP   5           HA       ASP   5   1.282   5.762  -2.432
   23    HB2  ASP   5           HB2      ASP   5   0.311   4.952  -4.455
   24    HB3  ASP   5           HB1      ASP   5  -0.395   3.563  -3.645
   25    HA   PRO   6           HA       PRO   6  -0.096   4.952   1.751
   26    HB2  PRO   6           HB2      PRO   6  -1.372   7.387   2.054
   27    HB3  PRO   6           HB1      PRO   6   0.349   7.107   2.333
   28    HG2  PRO   6           HG2      PRO   6  -1.024   8.242  -0.065
   29    HG3  PRO   6           HG1      PRO   6   0.503   8.733   0.693
   30    HD2  PRO   6           HD2      PRO   6   0.459   7.268  -1.554
   31    HD3  PRO   6           HD1      PRO   6   1.695   7.013  -0.304
   32    H    ARG   7           HN       ARG   7  -2.201   6.108  -0.837
   33    HA   ARG   7           HA       ARG   7  -4.679   5.708   0.465
   34    HB2  ARG   7           HB2      ARG   7  -3.900   5.723  -2.453
   35    HB3  ARG   7           HB1      ARG   7  -5.566   5.562  -1.913
   36    HG2  ARG   7           HG2      ARG   7  -4.003   7.836  -0.847
   37    HG3  ARG   7           HG1      ARG   7  -4.478   7.896  -2.542
   38    HD2  ARG   7           HD2      ARG   7  -6.014   8.869  -0.626
   39    HD3  ARG   7           HD1      ARG   7  -6.689   8.108  -2.060
   40    HE   ARG   7           HE       ARG   7  -6.526   6.045  -0.321
   41   HH11  ARG   7          HH11      ARG   7  -7.810   9.281  -0.018
   42   HH12  ARG   7          HH12      ARG   7  -9.130   8.809   0.998
   43   HH21  ARG   7          HH21      ARG   7  -8.289   5.386   0.994
   44   HH22  ARG   7          HH22      ARG   7  -9.398   6.596   1.578
   45    H    PHE   8           HN       PHE   8  -2.892   3.649  -1.812
   46    HA   PHE   8           HA       PHE   8  -4.635   1.478  -1.810
   47    HB2  PHE   8           HB2      PHE   8  -2.658   1.877  -3.345
   48    HB3  PHE   8           HB1      PHE   8  -1.635   1.258  -2.054
   49    HD1  PHE   8           HD2      PHE   8  -4.973   0.073  -3.179
   50    HD2  PHE   8           HD1      PHE   8  -0.807  -0.753  -2.880
   51    HE1  PHE   8           HE2      PHE   8  -5.372  -2.217  -3.982
   52    HE2  PHE   8           HE1      PHE   8  -1.202  -3.043  -3.680
   53    HZ   PHE   8           HZ       PHE   8  -3.483  -3.777  -4.235
   54    H    ASN   9           HN       ASN   9  -2.057   2.313   0.434
   55    HA   ASN   9           HA       ASN   9  -2.025  -0.157   1.828
   56    HB2  ASN   9           HB2      ASN   9  -1.120   2.615   2.591
   57    HB3  ASN   9           HB1      ASN   9  -0.960   1.239   3.678
   58   HD21  ASN   9          HD21      ASN   9   0.733   3.061   1.679
   59   HD22  ASN   9          HD22      ASN   9   1.874   1.915   1.066
   60    H    TYR  10           HN       TYR  10  -3.725   2.891   2.389
   61    HA   TYR  10           HA       TYR  10  -4.955   2.038   4.816
   62    HB2  TYR  10           HB2      TYR  10  -4.610   4.409   4.309
   63    HB3  TYR  10           HB1      TYR  10  -5.677   4.282   2.917
   64    HD1  TYR  10           HD1      TYR  10  -5.966   3.173   6.482
   65    HD2  TYR  10           HD2      TYR  10  -7.627   5.442   3.290
   66    HE1  TYR  10           HE1      TYR  10  -7.888   3.751   7.901
   67    HE2  TYR  10           HE2      TYR  10  -9.553   6.028   4.700
   68    HH   TYR  10           HH       TYR  10 -10.311   4.447   7.524
   69    H    ASP  11           HN       ASP  11  -6.043   2.320   1.468
   70    HA   ASP  11           HA       ASP  11  -8.689   1.432   1.923
   71    HB2  ASP  11           HB2      ASP  11  -7.064   1.434  -0.630
   72    HB3  ASP  11           HB1      ASP  11  -8.805   1.198  -0.536
   73    H    HIS  12           HN       HIS  12  -5.697  -0.244   1.497
   74    HA   HIS  12           HA       HIS  12  -7.130  -2.772   1.762
   75    HB2  HIS  12           HB2      HIS  12  -5.350  -2.024  -0.510
   76    HB3  HIS  12           HB1      HIS  12  -5.303  -3.683   0.081
   77    HD1  HIS  12           HD1      HIS  12  -7.831  -4.821   0.260
   78    HD2  HIS  12           HD2      HIS  12  -7.291  -1.609  -2.345
   79    HE1  HIS  12           HE1      HIS  12  -9.778  -4.895  -1.332
   80    HE2  HIS  12           HE2      HIS  12  -9.533  -2.833  -2.757
   81    HA   PRO  13           HA       PRO  13  -3.617  -2.592   4.687
   82    HB2  PRO  13           HB2      PRO  13  -4.979  -3.578   6.793
   83    HB3  PRO  13           HB1      PRO  13  -5.060  -1.874   6.331
   84    HG2  PRO  13           HG2      PRO  13  -7.003  -4.080   5.783
   85    HG3  PRO  13           HG1      PRO  13  -7.319  -2.406   6.272
   86    HD2  PRO  13           HD2      PRO  13  -7.523  -3.292   3.696
   87    HD3  PRO  13           HD1      PRO  13  -7.134  -1.616   4.129
   88    H    GLU  14           HN       GLU  14  -5.717  -5.109   3.557
   89    HA   GLU  14           HA       GLU  14  -4.300  -7.243   4.858
   90    HB2  GLU  14           HB2      GLU  14  -5.796  -8.730   3.832
   91    HB3  GLU  14           HB1      GLU  14  -6.754  -7.296   4.146
   92    HG2  GLU  14           HG2      GLU  14  -5.526  -7.935   1.474
   93    HG3  GLU  14           HG1      GLU  14  -7.155  -8.405   1.944
   94    H    ILE  15           HN       ILE  15  -4.256  -5.705   1.708
   95    HA   ILE  15           HA       ILE  15  -2.504  -7.599   0.488
   96    HB   ILE  15           HB       ILE  15  -3.111  -4.742  -0.297
   97   HG12  ILE  15          HG12      ILE  15  -4.232  -7.370  -1.299
   98   HG13  ILE  15          HG11      ILE  15  -5.082  -6.216  -0.278
   99   HG21  ILE  15          HG21      ILE  15  -2.389  -6.205  -2.558
  100   HG22  ILE  15          HG22      ILE  15  -1.198  -6.640  -1.332
  101   HG23  ILE  15          HG23      ILE  15  -1.445  -4.947  -1.760
  102   HD11  ILE  15          HD11      ILE  15  -5.266  -6.345  -2.978
  103   HD12  ILE  15          HD12      ILE  15  -4.047  -5.087  -2.769
  104   HD13  ILE  15          HD13      ILE  15  -5.630  -4.917  -2.009
  105    H    CYS  16           HN       CYS  16  -2.026  -4.460   2.052
  106    HA   CYS  16           HA       CYS  16   0.759  -5.164   2.524
  107    HB2  CYS  16           HB2      CYS  16  -0.124  -2.749   0.958
  108    HB3  CYS  16           HB1      CYS  16   1.411  -2.778   1.818
  109    H    GLY  17           HN       GLY  17  -1.651  -2.563   2.898
  110    HA2  GLY  17           HA2      GLY  17  -2.197  -1.239   4.684
  111    HA3  GLY  17           HA1      GLY  17  -1.824  -2.648   5.659
  112    H    GLY  18           HN       GLY  18   0.461  -0.802   3.682
  113    HA2  GLY  18           HA2      GLY  18   1.685   1.049   4.867
  114    HA3  GLY  18           HA1      GLY  18   1.844  -0.092   6.195
  115    H    ALA  19           HN       ALA  19   2.445  -2.407   4.768
  116    HA   ALA  19           HA       ALA  19   5.231  -2.054   4.357
  117    HB1  ALA  19           HB1      ALA  19   3.585  -4.196   4.876
  118    HB2  ALA  19           HB2      ALA  19   5.309  -4.282   4.515
  119    HB3  ALA  19           HB3      ALA  19   4.126  -4.501   3.225
  120    H    ALA  20           HN       ALA  20   6.302  -1.490   2.571
  121    HA   ALA  20           HA       ALA  20   4.866  -0.974   0.132
  122    HB1  ALA  20           HB1      ALA  20   7.838  -0.769   0.364
  123    HB2  ALA  20           HB2      ALA  20   6.801   0.389   1.197
  124    HB3  ALA  20           HB3      ALA  20   6.712   0.229  -0.557
  125    H    GLY  21           HN       GLY  21   4.635  -3.631   0.521
  126    HA2  GLY  21           HA2      GLY  21   6.718  -5.107  -0.819
  127    HA3  GLY  21           HA1      GLY  21   5.158  -5.736  -0.306
  128    H    GLY  22           HN       GLY  22   3.355  -4.278  -1.617
  129    HA2  GLY  22           HA2      GLY  22   3.657  -5.214  -4.329
  130    HA3  GLY  22           HA1      GLY  22   2.241  -4.428  -3.643
  Start of MODEL    3
    1    H1   GLY   1           HN       GLY   1   3.305  -6.171  -4.699
    2    HA2  GLY   1           HA2      GLY   1   1.130  -5.544  -5.055
    3    HA3  GLY   1           HA1      GLY   1   1.111  -4.971  -3.391
    4    H    HIS   2           HN       HIS   2   0.552  -2.934  -3.257
    5    HA   HIS   2           HA       HIS   2   1.795  -0.965  -5.007
    6    HB2  HIS   2           HB2      HIS   2  -0.360  -1.586  -6.102
    7    HB3  HIS   2           HB1      HIS   2  -1.214  -1.139  -4.633
    8    HD1  HIS   2           HD1      HIS   2   1.279   0.655  -6.913
    9    HD2  HIS   2           HD2      HIS   2  -2.317   1.290  -4.932
   10    HE1  HIS   2           HE1      HIS   2   0.625   3.023  -7.444
   11    HE2  HIS   2           HE2      HIS   2  -1.408   3.458  -6.009
   12    H    CYS   3           HN       CYS   3   2.240  -1.679  -2.324
   13    HA   CYS   3           HA       CYS   3   0.829  -0.102  -0.476
   14    HB2  CYS   3           HB2      CYS   3   2.424  -2.051  -0.006
   15    HB3  CYS   3           HB1      CYS   3   3.721  -0.868  -0.144
   16    H    SER   4           HN       SER   4   3.271   0.713  -2.753
   17    HA   SER   4           HA       SER   4   4.200   3.099  -1.490
   18    HB2  SER   4           HB2      SER   4   4.345   2.483  -4.440
   19    HB3  SER   4           HB1      SER   4   5.473   3.422  -3.460
   20    HG   SER   4           HG       SER   4   6.505   1.638  -3.111
   21    H    ASP   5           HN       ASP   5   1.578   3.348  -1.249
   22    HA   ASP   5           HA       ASP   5   0.942   5.734  -2.696
   23    HB2  ASP   5           HB2      ASP   5   0.329   3.916  -4.324
   24    HB3  ASP   5           HB1      ASP   5  -0.812   3.302  -3.140
   25    HA   PRO   6           HA       PRO   6  -0.673   6.144   1.470
   26    HB2  PRO   6           HB2      PRO   6  -1.913   8.539   0.208
   27    HB3  PRO   6           HB1      PRO   6  -0.958   8.413   1.689
   28    HG2  PRO   6           HG2      PRO   6   0.112   9.430  -0.523
   29    HG3  PRO   6           HG1      PRO   6   1.060   8.377   0.544
   30    HD2  PRO   6           HD2      PRO   6  -0.219   7.760  -2.084
   31    HD3  PRO   6           HD1      PRO   6   1.330   7.199  -1.424
   32    H    ARG   7           HN       ARG   7  -2.599   6.467  -1.456
   33    HA   ARG   7           HA       ARG   7  -5.141   6.291  -0.189
   34    HB2  ARG   7           HB2      ARG   7  -4.345   5.619  -3.029
   35    HB3  ARG   7           HB1      ARG   7  -5.989   5.871  -2.455
   36    HG2  ARG   7           HG2      ARG   7  -5.604   8.164  -2.065
   37    HG3  ARG   7           HG1      ARG   7  -3.862   7.979  -2.259
   38    HD2  ARG   7           HD2      ARG   7  -5.929   7.594  -4.420
   39    HD3  ARG   7           HD1      ARG   7  -4.891   9.008  -4.229
   40    HE   ARG   7           HE       ARG   7  -3.285   6.692  -4.372
   41   HH11  ARG   7          HH11      ARG   7  -5.306   8.717  -6.400
   42   HH12  ARG   7          HH12      ARG   7  -4.479   8.301  -7.861
   43   HH21  ARG   7          HH21      ARG   7  -2.213   6.118  -6.274
   44   HH22  ARG   7          HH22      ARG   7  -2.701   6.821  -7.791
   45    H    PHE   8           HN       PHE   8  -3.005   3.962  -1.746
   46    HA   PHE   8           HA       PHE   8  -4.669   1.701  -1.503
   47    HB2  PHE   8           HB2      PHE   8  -2.504   2.013  -2.901
   48    HB3  PHE   8           HB1      PHE   8  -1.669   1.540  -1.427
   49    HD1  PHE   8           HD1      PHE   8  -4.357   0.411  -3.735
   50    HD2  PHE   8           HD2      PHE   8  -1.322  -0.701  -0.967
   51    HE1  PHE   8           HE1      PHE   8  -4.725  -1.957  -4.288
   52    HE2  PHE   8           HE2      PHE   8  -1.683  -3.070  -1.518
   53    HZ   PHE   8           HZ       PHE   8  -3.385  -3.700  -3.182
   54    H    ASN   9           HN       ASN   9  -2.409   3.244   0.654
   55    HA   ASN   9           HA       ASN   9  -2.101   1.190   2.549
   56    HB2  ASN   9           HB2      ASN   9  -1.981   4.197   2.858
   57    HB3  ASN   9           HB1      ASN   9  -1.550   3.071   4.138
   58   HD21  ASN   9          HD21      ASN   9  -0.607   1.456   1.536
   59   HD22  ASN   9          HD22      ASN   9   1.008   2.043   1.353
   60    H    TYR  10           HN       TYR  10  -4.643   3.478   1.967
   61    HA   TYR  10           HA       TYR  10  -5.954   2.867   4.488
   62    HB2  TYR  10           HB2      TYR  10  -5.852   5.199   3.666
   63    HB3  TYR  10           HB1      TYR  10  -6.797   4.727   2.259
   64    HD1  TYR  10           HD1      TYR  10  -7.143   4.020   5.914
   65    HD2  TYR  10           HD2      TYR  10  -8.911   5.626   2.397
   66    HE1  TYR  10           HE1      TYR  10  -9.216   4.457   7.165
   67    HE2  TYR  10           HE2      TYR  10 -10.990   6.071   3.635
   68    HH   TYR  10           HH       TYR  10 -11.821   4.704   6.379
   69    H    ASP  11           HN       ASP  11  -6.610   2.537   0.990
   70    HA   ASP  11           HA       ASP  11  -9.124   1.261   1.477
   71    HB2  ASP  11           HB2      ASP  11  -9.496   1.350  -0.782
   72    HB3  ASP  11           HB1      ASP  11  -8.322   2.643  -0.603
   73    H    HIS  12           HN       HIS  12  -5.864   0.061   0.875
   74    HA   HIS  12           HA       HIS  12  -6.880  -2.624   1.468
   75    HB2  HIS  12           HB2      HIS  12  -5.352  -1.861  -0.998
   76    HB3  HIS  12           HB1      HIS  12  -5.241  -3.489  -0.341
   77    HD1  HIS  12           HD1      HIS  12  -7.762  -4.656   0.005
   78    HD2  HIS  12           HD2      HIS  12  -7.341  -1.582  -2.775
   79    HE1  HIS  12           HE1      HIS  12  -9.771  -4.811  -1.499
   80    HE2  HIS  12           HE2      HIS  12  -9.596  -2.806  -3.013
   81    HA   PRO  13           HA       PRO  13  -2.804  -1.532   3.651
   82    HB2  PRO  13           HB2      PRO  13  -3.751  -2.119   6.159
   83    HB3  PRO  13           HB1      PRO  13  -3.752  -0.492   5.470
   84    HG2  PRO  13           HG2      PRO  13  -5.982  -2.476   5.655
   85    HG3  PRO  13           HG1      PRO  13  -6.018  -0.720   5.907
   86    HD2  PRO  13           HD2      PRO  13  -6.892  -1.860   3.624
   87    HD3  PRO  13           HD1      PRO  13  -6.101  -0.271   3.642
   88    H    GLU  14           HN       GLU  14  -5.257  -3.955   3.880
   89    HA   GLU  14           HA       GLU  14  -3.974  -6.089   5.088
   90    HB2  GLU  14           HB2      GLU  14  -5.553  -7.342   3.294
   91    HB3  GLU  14           HB1      GLU  14  -6.173  -6.578   4.756
   92    HG2  GLU  14           HG2      GLU  14  -7.095  -4.831   3.627
   93    HG3  GLU  14           HG1      GLU  14  -5.899  -4.889   2.334
   94    H    ILE  15           HN       ILE  15  -4.124  -5.259   1.630
   95    HA   ILE  15           HA       ILE  15  -2.609  -7.420   0.694
   96    HB   ILE  15           HB       ILE  15  -2.941  -4.678  -0.532
   97   HG12  ILE  15          HG12      ILE  15  -4.424  -7.284  -0.944
   98   HG13  ILE  15          HG11      ILE  15  -5.063  -5.829  -0.189
   99   HG21  ILE  15          HG21      ILE  15  -1.114  -6.619  -1.261
  100   HG22  ILE  15          HG22      ILE  15  -1.702  -5.305  -2.280
  101   HG23  ILE  15          HG23      ILE  15  -2.470  -6.891  -2.355
  102   HD11  ILE  15          HD11      ILE  15  -4.165  -5.994  -3.054
  103   HD12  ILE  15          HD12      ILE  15  -5.002  -4.654  -2.271
  104   HD13  ILE  15          HD13      ILE  15  -5.831  -6.192  -2.513
  105    H    CYS  16           HN       CYS  16  -1.613  -4.202   1.797
  106    HA   CYS  16           HA       CYS  16   1.116  -4.528   1.061
  107    HB2  CYS  16           HB2      CYS  16   0.226  -2.291   1.469
  108    HB3  CYS  16           HB1      CYS  16  -0.116  -2.711   3.146
  109    H    GLY  17           HN       GLY  17  -0.691  -5.007   4.071
  110    HA2  GLY  17           HA2      GLY  17   1.489  -5.755   5.689
  111    HA3  GLY  17           HA1      GLY  17  -0.190  -6.185   5.975
  112    H    GLY  18           HN       GLY  18  -0.725  -7.731   3.737
  113    HA2  GLY  18           HA2      GLY  18   0.599 -10.186   4.489
  114    HA3  GLY  18           HA1      GLY  18  -0.700 -10.012   3.319
  115    H    ALA  19           HN       ALA  19   2.491  -8.476   3.425
  116    HA   ALA  19           HA       ALA  19   3.657 -10.108   1.418
  117    HB1  ALA  19           HB1      ALA  19   3.687  -7.687   0.013
  118    HB2  ALA  19           HB2      ALA  19   2.007  -7.934   0.489
  119    HB3  ALA  19           HB3      ALA  19   2.852  -9.173  -0.439
  120    H    ALA  20           HN       ALA  20   3.562  -6.786   2.631
  121    HA   ALA  20           HA       ALA  20   5.133  -5.360   3.420
  122    HB1  ALA  20           HB1      ALA  20   7.149  -6.935   4.479
  123    HB2  ALA  20           HB2      ALA  20   5.710  -7.949   4.579
  124    HB3  ALA  20           HB3      ALA  20   5.714  -6.351   5.323
  125    H    GLY  21           HN       GLY  21   5.430  -6.191   0.647
  126    HA2  GLY  21           HA2      GLY  21   7.805  -4.918   0.000
  127    HA3  GLY  21           HA1      GLY  21   8.172  -6.634   0.059
  128    H    GLY  22           HN       GLY  22   5.294  -4.884  -1.124
  129    HA2  GLY  22           HA2      GLY  22   5.826  -5.018  -3.829
  130    HA3  GLY  22           HA1      GLY  22   5.106  -6.565  -3.413
  Start of MODEL    4
    1    H1   GLY   1           HN       GLY   1   3.886  -3.196  -2.740
    2    HA2  GLY   1           HA2      GLY   1   3.468  -3.852  -5.393
    3    HA3  GLY   1           HA1      GLY   1   1.924  -4.093  -4.586
    4    H    HIS   2           HN       HIS   2   0.620  -2.418  -4.761
    5    HA   HIS   2           HA       HIS   2   1.594   0.198  -5.472
    6    HB2  HIS   2           HB2      HIS   2  -0.550  -0.856  -6.321
    7    HB3  HIS   2           HB1      HIS   2  -1.228  -0.605  -4.721
    8    HD1  HIS   2           HD1      HIS   2   0.530   1.661  -7.259
    9    HD2  HIS   2           HD2      HIS   2  -2.753   1.601  -4.717
   10    HE1  HIS   2           HE1      HIS   2  -0.614   3.875  -7.581
   11    HE2  HIS   2           HE2      HIS   2  -2.420   3.912  -5.818
   12    H    CYS   3           HN       CYS   3   2.094  -1.132  -2.757
   13    HA   CYS   3           HA       CYS   3   0.773   0.317  -0.738
   14    HB2  CYS   3           HB2      CYS   3   3.539  -0.878  -0.560
   15    HB3  CYS   3           HB1      CYS   3   2.395  -0.611   0.754
   16    H    SER   4           HN       SER   4   3.338   1.187  -2.857
   17    HA   SER   4           HA       SER   4   4.611   3.150  -1.277
   18    HB2  SER   4           HB2      SER   4   5.577   2.223  -3.371
   19    HB3  SER   4           HB1      SER   4   4.328   3.057  -4.295
   20    HG   SER   4           HG       SER   4   5.307   4.950  -2.914
   21    H    ASP   5           HN       ASP   5   1.602   3.021  -2.882
   22    HA   ASP   5           HA       ASP   5   1.215   5.907  -2.889
   23    HB2  ASP   5           HB2      ASP   5   0.419   4.707  -4.830
   24    HB3  ASP   5           HB1      ASP   5  -0.513   3.612  -3.823
   25    HA   PRO   6           HA       PRO   6  -0.437   5.845   1.239
   26    HB2  PRO   6           HB2      PRO   6  -1.813   8.243   0.972
   27    HB3  PRO   6           HB1      PRO   6  -0.120   8.078   1.448
   28    HG2  PRO   6           HG2      PRO   6  -1.287   8.698  -1.231
   29    HG3  PRO   6           HG1      PRO   6   0.164   9.362  -0.455
   30    HD2  PRO   6           HD2      PRO   6   0.341   7.510  -2.378
   31    HD3  PRO   6           HD1      PRO   6   1.449   7.503  -0.989
   32    H    ARG   7           HN       ARG   7  -2.520   6.449  -1.570
   33    HA   ARG   7           HA       ARG   7  -4.975   6.183  -0.200
   34    HB2  ARG   7           HB2      ARG   7  -4.375   5.618  -3.109
   35    HB3  ARG   7           HB1      ARG   7  -5.984   5.748  -2.417
   36    HG2  ARG   7           HG2      ARG   7  -5.696   7.820  -3.349
   37    HG3  ARG   7           HG1      ARG   7  -5.188   8.113  -1.684
   38    HD2  ARG   7           HD2      ARG   7  -2.859   7.836  -2.344
   39    HD3  ARG   7           HD1      ARG   7  -3.358   7.512  -4.001
   40    HE   ARG   7           HE       ARG   7  -4.351  10.017  -3.151
   41   HH11  ARG   7          HH11      ARG   7  -1.420   8.382  -4.150
   42   HH12  ARG   7          HH12      ARG   7  -0.653   9.840  -4.716
   43   HH21  ARG   7          HH21      ARG   7  -3.344  11.945  -3.899
   44   HH22  ARG   7          HH22      ARG   7  -1.750  11.867  -4.573
   45    H    PHE   8           HN       PHE   8  -3.058   3.834  -2.048
   46    HA   PHE   8           HA       PHE   8  -4.778   1.648  -1.778
   47    HB2  PHE   8           HB2      PHE   8  -2.736   1.808  -3.253
   48    HB3  PHE   8           HB1      PHE   8  -1.769   1.461  -1.823
   49    HD1  PHE   8           HD2      PHE   8  -4.902   0.060  -3.298
   50    HD2  PHE   8           HD1      PHE   8  -0.997  -0.692  -1.787
   51    HE1  PHE   8           HE2      PHE   8  -5.221  -2.347  -3.686
   52    HE2  PHE   8           HE1      PHE   8  -1.307  -3.101  -2.174
   53    HZ   PHE   8           HZ       PHE   8  -3.420  -3.931  -3.125
   54    H    ASN   9           HN       ASN   9  -2.261   2.821   0.411
   55    HA   ASN   9           HA       ASN   9  -2.229   0.628   2.161
   56    HB2  ASN   9           HB2      ASN   9  -1.634   3.545   2.674
   57    HB3  ASN   9           HB1      ASN   9  -1.358   2.273   3.859
   58   HD21  ASN   9          HD21      ASN   9   0.164   4.132   1.731
   59   HD22  ASN   9          HD22      ASN   9   1.455   3.089   1.246
   60    H    TYR  10           HN       TYR  10  -4.293   3.469   2.042
   61    HA   TYR  10           HA       TYR  10  -5.642   2.835   4.503
   62    HB2  TYR  10           HB2      TYR  10  -5.396   5.165   3.704
   63    HB3  TYR  10           HB1      TYR  10  -6.403   4.782   2.313
   64    HD1  TYR  10           HD2      TYR  10  -6.724   4.075   5.972
   65    HD2  TYR  10           HD1      TYR  10  -8.447   5.828   2.500
   66    HE1  TYR  10           HE2      TYR  10  -8.730   4.658   7.269
   67    HE2  TYR  10           HE1      TYR  10 -10.457   6.417   3.787
   68    HH   TYR  10           HH       TYR  10 -11.348   5.105   6.505
   69    H    ASP  11           HN       ASP  11  -6.282   2.530   1.059
   70    HA   ASP  11           HA       ASP  11  -8.933   1.582   1.232
   71    HB2  ASP  11           HB2      ASP  11  -7.981   2.519  -0.823
   72    HB3  ASP  11           HB1      ASP  11  -6.845   1.182  -0.924
   73    H    HIS  12           HN       HIS  12  -5.850  -0.180   0.776
   74    HA   HIS  12           HA       HIS  12  -7.164  -2.539   1.922
   75    HB2  HIS  12           HB2      HIS  12  -5.647  -2.458  -0.681
   76    HB3  HIS  12           HB1      HIS  12  -5.996  -3.953   0.188
   77    HD1  HIS  12           HD1      HIS  12  -8.723  -4.112   0.821
   78    HD2  HIS  12           HD2      HIS  12  -7.549  -1.876  -2.485
   79    HE1  HIS  12           HE1      HIS  12 -10.800  -3.822  -0.580
   80    HE2  HIS  12           HE2      HIS  12 -10.108  -2.172  -2.356
   81    HA   PRO  13           HA       PRO  13  -3.053  -1.917   3.899
   82    HB2  PRO  13           HB2      PRO  13  -3.925  -2.384   6.422
   83    HB3  PRO  13           HB1      PRO  13  -4.015  -0.791   5.664
   84    HG2  PRO  13           HG2      PRO  13  -6.156  -2.849   6.010
   85    HG3  PRO  13           HG1      PRO  13  -6.252  -1.089   6.201
   86    HD2  PRO  13           HD2      PRO  13  -7.119  -2.403   3.976
   87    HD3  PRO  13           HD1      PRO  13  -6.510  -0.736   3.948
   88    H    GLU  14           HN       GLU  14  -5.494  -4.379   3.916
   89    HA   GLU  14           HA       GLU  14  -4.105  -6.403   5.302
   90    HB2  GLU  14           HB2      GLU  14  -5.787  -7.561   3.288
   91    HB3  GLU  14           HB1      GLU  14  -6.007  -7.532   5.026
   92    HG2  GLU  14           HG2      GLU  14  -7.950  -6.593   4.163
   93    HG3  GLU  14           HG1      GLU  14  -7.001  -5.213   4.703
   94    H    ILE  15           HN       ILE  15  -4.444  -5.765   1.824
   95    HA   ILE  15           HA       ILE  15  -2.942  -7.913   0.882
   96    HB   ILE  15           HB       ILE  15  -3.072  -5.178  -0.393
   97   HG12  ILE  15          HG12      ILE  15  -4.998  -7.511  -0.522
   98   HG13  ILE  15          HG11      ILE  15  -5.321  -5.903   0.110
   99   HG21  ILE  15          HG21      ILE  15  -3.029  -7.648  -2.008
  100   HG22  ILE  15          HG22      ILE  15  -1.535  -7.242  -1.163
  101   HG23  ILE  15          HG23      ILE  15  -2.251  -6.091  -2.292
  102   HD11  ILE  15          HD11      ILE  15  -6.249  -6.437  -2.177
  103   HD12  ILE  15          HD12      ILE  15  -4.585  -6.365  -2.759
  104   HD13  ILE  15          HD13      ILE  15  -5.325  -4.942  -2.027
  105    H    CYS  16           HN       CYS  16  -1.850  -4.650   1.760
  106    HA   CYS  16           HA       CYS  16   0.871  -5.178   1.079
  107    HB2  CYS  16           HB2      CYS  16  -0.415  -2.975   2.694
  108    HB3  CYS  16           HB1      CYS  16   1.309  -3.038   2.337
  109    H    GLY  17           HN       GLY  17  -0.948  -5.105   4.125
  110    HA2  GLY  17           HA2      GLY  17  -0.553  -6.210   6.104
  111    HA3  GLY  17           HA1      GLY  17   0.767  -7.057   5.316
  112    H    GLY  18           HN       GLY  18   2.488  -5.086   4.650
  113    HA2  GLY  18           HA2      GLY  18   2.988  -3.083   6.529
  114    HA3  GLY  18           HA1      GLY  18   3.792  -4.542   7.095
  115    H    ALA  19           HN       ALA  19   4.323  -5.539   4.419
  116    HA   ALA  19           HA       ALA  19   6.838  -4.311   3.997
  117    HB1  ALA  19           HB1      ALA  19   5.610  -5.979   1.864
  118    HB2  ALA  19           HB2      ALA  19   5.934  -6.727   3.428
  119    HB3  ALA  19           HB3      ALA  19   7.251  -5.995   2.510
  120    H    ALA  20           HN       ALA  20   7.276  -2.503   2.955
  121    HA   ALA  20           HA       ALA  20   5.339  -0.986   1.578
  122    HB1  ALA  20           HB1      ALA  20   6.926   0.656   1.435
  123    HB2  ALA  20           HB2      ALA  20   8.235  -0.483   1.120
  124    HB3  ALA  20           HB3      ALA  20   7.595  -0.305   2.754
  125    H    GLY  21           HN       GLY  21   7.989  -3.043   0.452
  126    HA2  GLY  21           HA2      GLY  21   7.447  -2.473  -2.328
  127    HA3  GLY  21           HA1      GLY  21   8.627  -3.615  -1.706
  128    H    GLY  22           HN       GLY  22   5.215  -3.601  -0.853
  129    HA2  GLY  22           HA2      GLY  22   4.985  -6.354  -1.728
  130    HA3  GLY  22           HA1      GLY  22   3.762  -5.420  -0.877
  Start of MODEL    5
    1    H1   GLY   1           HN       GLY   1   5.137  -2.750  -6.669
    2    HA2  GLY   1           HA2      GLY   1   3.157  -2.370  -7.749
    3    HA3  GLY   1           HA1      GLY   1   2.362  -3.085  -6.357
    4    H    HIS   2           HN       HIS   2   0.688  -1.720  -6.101
    5    HA   HIS   2           HA       HIS   2   1.064   1.147  -6.178
    6    HB2  HIS   2           HB2      HIS   2  -0.995  -0.040  -7.061
    7    HB3  HIS   2           HB1      HIS   2  -1.429  -0.381  -5.391
    8    HD1  HIS   2           HD1      HIS   2  -3.632   1.032  -6.009
    9    HD2  HIS   2           HD2      HIS   2  -0.081   3.178  -5.841
   10    HE1  HIS   2           HE1      HIS   2  -4.309   3.445  -5.846
   11    HE2  HIS   2           HE2      HIS   2  -2.148   4.681  -5.431
   12    H    CYS   3           HN       CYS   3   1.584  -1.208  -3.903
   13    HA   CYS   3           HA       CYS   3   0.499  -0.123  -1.565
   14    HB2  CYS   3           HB2      CYS   3   2.841  -1.939  -2.048
   15    HB3  CYS   3           HB1      CYS   3   2.372  -1.436  -0.426
   16    H    SER   4           HN       SER   4   3.158   0.966  -3.441
   17    HA   SER   4           HA       SER   4   4.662   2.266  -1.439
   18    HB2  SER   4           HB2      SER   4   4.328   3.185  -4.302
   19    HB3  SER   4           HB1      SER   4   5.713   3.448  -3.241
   20    HG   SER   4           HG       SER   4   6.131   1.747  -4.676
   21    H    ASP   5           HN       ASP   5   1.709   2.981  -3.057
   22    HA   ASP   5           HA       ASP   5   1.570   5.757  -2.241
   23    HB2  ASP   5           HB2      ASP   5   0.632   5.096  -4.390
   24    HB3  ASP   5           HB1      ASP   5  -0.388   3.899  -3.615
   25    HA   PRO   6           HA       PRO   6   0.039   4.695   1.836
   26    HB2  PRO   6           HB2      PRO   6  -1.011   7.223   2.314
   27    HB3  PRO   6           HB1      PRO   6   0.649   6.727   2.649
   28    HG2  PRO   6           HG2      PRO   6  -0.450   8.221   0.309
   29    HG3  PRO   6           HG1      PRO   6   1.085   8.448   1.169
   30    HD2  PRO   6           HD2      PRO   6   0.991   7.216  -1.205
   31    HD3  PRO   6           HD1      PRO   6   2.106   6.677   0.069
   32    H    ARG   7           HN       ARG   7  -1.859   6.161  -0.719
   33    HA   ARG   7           HA       ARG   7  -4.409   5.997   0.492
   34    HB2  ARG   7           HB2      ARG   7  -3.674   5.804  -2.437
   35    HB3  ARG   7           HB1      ARG   7  -5.279   6.143  -1.803
   36    HG2  ARG   7           HG2      ARG   7  -4.665   8.260  -1.052
   37    HG3  ARG   7           HG1      ARG   7  -2.941   7.896  -1.150
   38    HD2  ARG   7           HD2      ARG   7  -3.121   7.769  -3.593
   39    HD3  ARG   7           HD1      ARG   7  -4.835   8.168  -3.482
   40    HE   ARG   7           HE       ARG   7  -3.554  10.208  -2.186
   41   HH11  ARG   7          HH11      ARG   7  -3.312   8.779  -5.354
   42   HH12  ARG   7          HH12      ARG   7  -2.912  10.265  -6.151
   43   HH21  ARG   7          HH21      ARG   7  -3.011  12.193  -3.215
   44   HH22  ARG   7          HH22      ARG   7  -2.736  12.218  -4.923
   45    H    PHE   8           HN       PHE   8  -2.585   3.778  -1.541
   46    HA   PHE   8           HA       PHE   8  -4.554   1.744  -1.700
   47    HB2  PHE   8           HB2      PHE   8  -2.513   2.069  -3.195
   48    HB3  PHE   8           HB1      PHE   8  -1.574   1.328  -1.907
   49    HD1  PHE   8           HD2      PHE   8  -4.825   0.583  -3.589
   50    HD2  PHE   8           HD1      PHE   8  -1.011  -0.842  -2.358
   51    HE1  PHE   8           HE2      PHE   8  -5.361  -1.634  -4.506
   52    HE2  PHE   8           HE1      PHE   8  -1.539  -3.060  -3.275
   53    HZ   PHE   8           HZ       PHE   8  -3.717  -3.460  -4.350
   54    H    ASN   9           HN       ASN   9  -2.185   2.604   0.659
   55    HA   ASN   9           HA       ASN   9  -2.054   0.120   2.038
   56    HB2  ASN   9           HB2      ASN   9  -1.506   2.939   3.003
   57    HB3  ASN   9           HB1      ASN   9  -1.123   1.481   3.911
   58   HD21  ASN   9          HD21      ASN   9  -0.626   0.571   0.860
   59   HD22  ASN   9          HD22      ASN   9   1.037   1.008   0.660
   60    H    TYR  10           HN       TYR  10  -4.077   2.952   2.236
   61    HA   TYR  10           HA       TYR  10  -5.417   2.174   4.636
   62    HB2  TYR  10           HB2      TYR  10  -5.150   4.530   3.967
   63    HB3  TYR  10           HB1      TYR  10  -6.178   4.243   2.567
   64    HD1  TYR  10           HD2      TYR  10  -6.460   3.366   6.197
   65    HD2  TYR  10           HD1      TYR  10  -8.211   5.289   2.830
   66    HE1  TYR  10           HE2      TYR  10  -8.439   3.917   7.548
   67    HE2  TYR  10           HE1      TYR  10 -10.194   5.847   4.173
   68    HH   TYR  10           HH       TYR  10 -11.054   4.426   6.856
   69    H    ASP  11           HN       ASP  11  -6.272   2.092   1.170
   70    HA   ASP  11           HA       ASP  11  -8.853   0.969   1.749
   71    HB2  ASP  11           HB2      ASP  11  -9.367   1.223  -0.474
   72    HB3  ASP  11           HB1      ASP  11  -8.115   2.442  -0.295
   73    H    HIS  12           HN       HIS  12  -5.714  -0.329   1.290
   74    HA   HIS  12           HA       HIS  12  -6.887  -3.009   1.369
   75    HB2  HIS  12           HB2      HIS  12  -4.922  -2.003  -0.648
   76    HB3  HIS  12           HB1      HIS  12  -4.889  -3.698  -0.161
   77    HD1  HIS  12           HD1      HIS  12  -7.450  -4.808  -0.239
   78    HD2  HIS  12           HD2      HIS  12  -6.576  -1.606  -2.740
   79    HE1  HIS  12           HE1      HIS  12  -9.226  -4.837  -2.031
   80    HE2  HIS  12           HE2      HIS  12  -8.824  -2.719  -3.337
   81    HA   PRO  13           HA       PRO  13  -3.617  -2.456   4.611
   82    HB2  PRO  13           HB2      PRO  13  -5.098  -3.551   6.613
   83    HB3  PRO  13           HB1      PRO  13  -5.151  -1.834   6.200
   84    HG2  PRO  13           HG2      PRO  13  -7.044  -4.024   5.448
   85    HG3  PRO  13           HG1      PRO  13  -7.399  -2.364   5.964
   86    HD2  PRO  13           HD2      PRO  13  -7.458  -3.131   3.367
   87    HD3  PRO  13           HD1      PRO  13  -6.999  -1.494   3.870
   88    H    GLU  14           HN       GLU  14  -5.745  -5.145   3.748
   89    HA   GLU  14           HA       GLU  14  -4.144  -7.150   4.976
   90    HB2  GLU  14           HB2      GLU  14  -5.544  -8.762   3.885
   91    HB3  GLU  14           HB1      GLU  14  -6.552  -7.453   4.472
   92    HG2  GLU  14           HG2      GLU  14  -5.678  -7.873   1.619
   93    HG3  GLU  14           HG1      GLU  14  -7.267  -8.238   2.284
   94    H    ILE  15           HN       ILE  15  -4.155  -5.697   1.778
   95    HA   ILE  15           HA       ILE  15  -2.462  -7.626   0.562
   96    HB   ILE  15           HB       ILE  15  -3.028  -4.757  -0.198
   97   HG12  ILE  15          HG12      ILE  15  -4.034  -7.415  -1.238
   98   HG13  ILE  15          HG11      ILE  15  -4.967  -6.207  -0.362
   99   HG21  ILE  15          HG21      ILE  15  -0.788  -5.838  -0.985
  100   HG22  ILE  15          HG22      ILE  15  -1.803  -4.975  -2.141
  101   HG23  ILE  15          HG23      ILE  15  -1.831  -6.738  -2.088
  102   HD11  ILE  15          HD11      ILE  15  -3.737  -5.152  -2.774
  103   HD12  ILE  15          HD12      ILE  15  -5.407  -5.065  -2.216
  104   HD13  ILE  15          HD13      ILE  15  -4.840  -6.493  -3.083
  105    H    CYS  16           HN       CYS  16  -1.858  -4.622   2.304
  106    HA   CYS  16           HA       CYS  16   0.826  -5.470   2.852
  107    HB2  CYS  16           HB2      CYS  16   1.742  -3.203   1.979
  108    HB3  CYS  16           HB1      CYS  16   1.495  -4.528   0.850
  109    H    GLY  17           HN       GLY  17  -1.482  -2.766   2.990
  110    HA2  GLY  17           HA2      GLY  17  -2.219  -1.664   4.888
  111    HA3  GLY  17           HA1      GLY  17  -1.109  -2.629   5.842
  112    H    GLY  18           HN       GLY  18   1.289  -1.802   4.335
  113    HA2  GLY  18           HA2      GLY  18   1.398   1.051   4.477
  114    HA3  GLY  18           HA1      GLY  18   2.136   0.285   5.871
  115    H    ALA  19           HN       ALA  19   2.580   1.418   2.821
  116    HA   ALA  19           HA       ALA  19   4.314   1.581   1.389
  117    HB1  ALA  19           HB1      ALA  19   5.771   2.272   3.010
  118    HB2  ALA  19           HB2      ALA  19   6.610   0.854   2.379
  119    HB3  ALA  19           HB3      ALA  19   5.699   0.743   3.885
  120    H    ALA  20           HN       ALA  20   5.414  -1.359   3.036
  121    HA   ALA  20           HA       ALA  20   5.791  -3.485   2.345
  122    HB1  ALA  20           HB1      ALA  20   4.593  -3.904  -0.087
  123    HB2  ALA  20           HB2      ALA  20   3.574  -2.670   0.653
  124    HB3  ALA  20           HB3      ALA  20   3.865  -4.195   1.493
  125    H    GLY  21           HN       GLY  21   5.963  -1.171  -0.346
  126    HA2  GLY  21           HA2      GLY  21   7.894  -0.638  -1.559
  127    HA3  GLY  21           HA1      GLY  21   8.691  -2.047  -0.874
  128    H    GLY  22           HN       GLY  22   5.607  -1.804  -2.626
  129    HA2  GLY  22           HA2      GLY  22   6.618  -2.796  -5.073
  130    HA3  GLY  22           HA1      GLY  22   5.986  -4.125  -4.114
  Start of MODEL    6
    1    H1   GLY   1           HN       GLY   1   5.096  -5.760  -3.062
    2    HA2  GLY   1           HA2      GLY   1   3.288  -5.808  -4.476
    3    HA3  GLY   1           HA1      GLY   1   2.332  -5.261  -3.108
    4    H    HIS   2           HN       HIS   2   1.856  -3.079  -2.872
    5    HA   HIS   2           HA       HIS   2   2.926  -1.161  -4.760
    6    HB2  HIS   2           HB2      HIS   2   0.052  -2.063  -4.822
    7    HB3  HIS   2           HB1      HIS   2   0.509  -0.452  -5.354
    8    HD1  HIS   2           HD1      HIS   2   2.713  -0.697  -7.197
    9    HD2  HIS   2           HD2      HIS   2  -0.123  -3.725  -6.926
   10    HE1  HIS   2           HE1      HIS   2   2.881  -1.971  -9.357
   11    HE2  HIS   2           HE2      HIS   2   1.253  -3.879  -9.112
   12    H    CYS   3           HN       CYS   3   3.139  -1.388  -1.950
   13    HA   CYS   3           HA       CYS   3   1.244   0.301  -0.630
   14    HB2  CYS   3           HB2      CYS   3   4.048  -0.429   0.241
   15    HB3  CYS   3           HB1      CYS   3   2.775   0.219   1.266
   16    H    SER   4           HN       SER   4   2.743   1.360  -3.041
   17    HA   SER   4           HA       SER   4   4.384   3.493  -2.051
   18    HB2  SER   4           HB2      SER   4   3.214   3.225  -4.823
   19    HB3  SER   4           HB1      SER   4   4.685   4.076  -4.343
   20    HG   SER   4           HG       SER   4   5.598   2.050  -3.819
   21    H    ASP   5           HN       ASP   5   1.112   3.159  -3.342
   22    HA   ASP   5           HA       ASP   5   0.569   5.979  -3.151
   23    HB2  ASP   5           HB2      ASP   5  -0.483   4.602  -4.898
   24    HB3  ASP   5           HB1      ASP   5  -1.307   3.661  -3.656
   25    HA   PRO   6           HA       PRO   6  -0.475   5.948   1.177
   26    HB2  PRO   6           HB2      PRO   6  -1.943   8.422   0.479
   27    HB3  PRO   6           HB1      PRO   6  -0.653   8.173   1.660
   28    HG2  PRO   6           HG2      PRO   6  -0.195   9.465  -0.634
   29    HG3  PRO   6           HG1      PRO   6   1.020   8.382   0.073
   30    HD2  PRO   6           HD2      PRO   6  -0.855   7.898  -2.210
   31    HD3  PRO   6           HD1      PRO   6   0.849   7.426  -2.030
   32    H    ARG   7           HN       ARG   7  -2.900   6.654  -1.306
   33    HA   ARG   7           HA       ARG   7  -5.171   6.234   0.332
   34    HB2  ARG   7           HB2      ARG   7  -4.885   5.966  -2.666
   35    HB3  ARG   7           HB1      ARG   7  -6.409   6.053  -1.793
   36    HG2  ARG   7           HG2      ARG   7  -6.112   8.290  -1.251
   37    HG3  ARG   7           HG1      ARG   7  -4.378   8.237  -1.570
   38    HD2  ARG   7           HD2      ARG   7  -6.535   7.939  -3.658
   39    HD3  ARG   7           HD1      ARG   7  -5.646   9.427  -3.327
   40    HE   ARG   7           HE       ARG   7  -3.795   7.374  -3.827
   41   HH11  ARG   7          HH11      ARG   7  -6.239   9.197  -5.555
   42   HH12  ARG   7          HH12      ARG   7  -5.412   9.104  -7.072
   43   HH21  ARG   7          HH21      ARG   7  -2.695   7.267  -5.777
   44   HH22  ARG   7          HH22      ARG   7  -3.380   7.991  -7.206
   45    H    PHE   8           HN       PHE   8  -3.484   4.165  -1.999
   46    HA   PHE   8           HA       PHE   8  -5.063   1.884  -1.771
   47    HB2  PHE   8           HB2      PHE   8  -3.265   2.224  -3.464
   48    HB3  PHE   8           HB1      PHE   8  -2.068   1.947  -2.204
   49    HD1  PHE   8           HD1      PHE   8  -5.220   0.240  -3.252
   50    HD2  PHE   8           HD2      PHE   8  -1.060  -0.112  -2.404
   51    HE1  PHE   8           HE1      PHE   8  -5.338  -2.179  -3.681
   52    HE2  PHE   8           HE2      PHE   8  -1.176  -2.529  -2.834
   53    HZ   PHE   8           HZ       PHE   8  -3.314  -3.565  -3.474
   54    H    ASN   9           HN       ASN   9  -2.346   2.949   0.219
   55    HA   ASN   9           HA       ASN   9  -2.063   0.617   1.761
   56    HB2  ASN   9           HB2      ASN   9  -1.391   3.503   2.299
   57    HB3  ASN   9           HB1      ASN   9  -1.117   2.258   3.514
   58   HD21  ASN   9          HD21      ASN   9   0.483   4.014   1.425
   59   HD22  ASN   9          HD22      ASN   9   1.695   2.903   0.894
   60    H    TYR  10           HN       TYR  10  -4.128   3.444   2.176
   61    HA   TYR  10           HA       TYR  10  -5.169   2.542   4.698
   62    HB2  TYR  10           HB2      TYR  10  -5.006   4.938   4.169
   63    HB3  TYR  10           HB1      TYR  10  -6.138   4.725   2.838
   64    HD1  TYR  10           HD2      TYR  10  -6.136   3.598   6.408
   65    HD2  TYR  10           HD1      TYR  10  -8.147   5.735   3.328
   66    HE1  TYR  10           HE2      TYR  10  -8.012   4.029   7.940
   67    HE2  TYR  10           HE1      TYR  10 -10.028   6.173   4.852
   68    HH   TYR  10           HH       TYR  10 -10.702   4.568   7.446
   69    H    ASP  11           HN       ASP  11  -6.263   2.588   1.352
   70    HA   ASP  11           HA       ASP  11  -8.885   1.647   1.811
   71    HB2  ASP  11           HB2      ASP  11  -8.041   2.802  -0.263
   72    HB3  ASP  11           HB1      ASP  11  -7.236   1.301  -0.702
   73    H    HIS  12           HN       HIS  12  -5.861  -0.035   1.008
   74    HA   HIS  12           HA       HIS  12  -7.160  -2.529   1.857
   75    HB2  HIS  12           HB2      HIS  12  -5.555  -2.081  -0.647
   76    HB3  HIS  12           HB1      HIS  12  -5.750  -3.685   0.058
   77    HD1  HIS  12           HD1      HIS  12  -8.438  -4.271   0.520
   78    HD2  HIS  12           HD2      HIS  12  -7.472  -1.521  -2.445
   79    HE1  HIS  12           HE1      HIS  12 -10.490  -4.080  -0.927
   80    HE2  HIS  12           HE2      HIS  12  -9.971  -2.160  -2.472
   81    HA   PRO  13           HA       PRO  13  -3.139  -1.825   4.108
   82    HB2  PRO  13           HB2      PRO  13  -4.161  -2.569   6.535
   83    HB3  PRO  13           HB1      PRO  13  -4.159  -0.905   5.941
   84    HG2  PRO  13           HG2      PRO  13  -6.368  -2.919   5.933
   85    HG3  PRO  13           HG1      PRO  13  -6.433  -1.184   6.294
   86    HD2  PRO  13           HD2      PRO  13  -7.208  -2.195   3.912
   87    HD3  PRO  13           HD1      PRO  13  -6.459  -0.593   4.064
   88    H    GLU  14           HN       GLU  14  -5.568  -4.374   4.083
   89    HA   GLU  14           HA       GLU  14  -3.960  -6.413   5.201
   90    HB2  GLU  14           HB2      GLU  14  -5.632  -7.952   4.502
   91    HB3  GLU  14           HB1      GLU  14  -6.469  -6.480   4.957
   92    HG2  GLU  14           HG2      GLU  14  -5.797  -7.153   2.106
   93    HG3  GLU  14           HG1      GLU  14  -7.285  -7.675   2.885
   94    H    ILE  15           HN       ILE  15  -4.433  -5.278   1.898
   95    HA   ILE  15           HA       ILE  15  -2.947  -7.355   0.658
   96    HB   ILE  15           HB       ILE  15  -3.558  -4.560  -0.322
   97   HG12  ILE  15          HG12      ILE  15  -4.839  -7.243  -0.899
   98   HG13  ILE  15          HG11      ILE  15  -5.551  -5.929   0.032
   99   HG21  ILE  15          HG21      ILE  15  -2.745  -5.121  -2.432
  100   HG22  ILE  15          HG22      ILE  15  -2.737  -6.848  -2.076
  101   HG23  ILE  15          HG23      ILE  15  -1.535  -5.791  -1.337
  102   HD11  ILE  15          HD11      ILE  15  -5.366  -6.309  -2.868
  103   HD12  ILE  15          HD12      ILE  15  -5.035  -4.671  -2.304
  104   HD13  ILE  15          HD13      ILE  15  -6.567  -5.451  -1.903
  105    H    CYS  16           HN       CYS  16  -2.115  -4.114   1.820
  106    HA   CYS  16           HA       CYS  16   0.564  -4.144   0.937
  107    HB2  CYS  16           HB2      CYS  16  -0.601  -2.078   1.645
  108    HB3  CYS  16           HB1      CYS  16  -0.600  -2.662   3.307
  109    H    GLY  17           HN       GLY  17  -0.959  -5.101   3.990
  110    HA2  GLY  17           HA2      GLY  17   1.420  -5.775   5.363
  111    HA3  GLY  17           HA1      GLY  17  -0.192  -6.366   5.746
  112    H    GLY  18           HN       GLY  18  -0.816  -7.708   3.406
  113    HA2  GLY  18           HA2      GLY  18   0.441 -10.201   3.812
  114    HA3  GLY  18           HA1      GLY  18  -0.605  -9.788   2.462
  115    H    ALA  19           HN       ALA  19   1.065  -7.590   1.569
  116    HA   ALA  19           HA       ALA  19   2.841  -9.063  -0.114
  117    HB1  ALA  19           HB1      ALA  19   3.413  -6.856  -1.047
  118    HB2  ALA  19           HB2      ALA  19   2.462  -6.092   0.227
  119    HB3  ALA  19           HB3      ALA  19   1.672  -7.125  -0.965
  120    H    ALA  20           HN       ALA  20   3.160  -8.075   3.012
  121    HA   ALA  20           HA       ALA  20   4.869  -7.846   4.477
  122    HB1  ALA  20           HB1      ALA  20   5.957  -9.559   2.348
  123    HB2  ALA  20           HB2      ALA  20   5.893  -9.811   4.092
  124    HB3  ALA  20           HB3      ALA  20   7.155  -8.796   3.394
  125    H    GLY  21           HN       GLY  21   4.283  -5.552   3.168
  126    HA2  GLY  21           HA2      GLY  21   5.170  -3.426   2.996
  127    HA3  GLY  21           HA1      GLY  21   6.739  -4.097   3.423
  128    H    GLY  22           HN       GLY  22   4.600  -4.897   0.732
  129    HA2  GLY  22           HA2      GLY  22   6.411  -3.632  -1.167
  130    HA3  GLY  22           HA1      GLY  22   6.265  -5.384  -1.269
  Start of MODEL    7
    1    H1   GLY   1           HN       GLY   1   4.805  -3.669  -4.025
    2    HA2  GLY   1           HA2      GLY   1   3.286  -4.240  -6.091
    3    HA3  GLY   1           HA1      GLY   1   2.087  -4.408  -4.816
    4    H    HIS   2           HN       HIS   2   0.779  -2.710  -5.203
    5    HA   HIS   2           HA       HIS   2   1.832  -0.080  -5.803
    6    HB2  HIS   2           HB2      HIS   2  -0.281  -0.986  -6.810
    7    HB3  HIS   2           HB1      HIS   2  -1.021  -0.926  -5.218
    8    HD1  HIS   2           HD1      HIS   2   0.812   1.622  -7.410
    9    HD2  HIS   2           HD2      HIS   2  -2.563   1.255  -5.017
   10    HE1  HIS   2           HE1      HIS   2  -0.331   3.859  -7.509
   11    HE2  HIS   2           HE2      HIS   2  -2.193   3.688  -5.812
   12    H    CYS   3           HN       CYS   3   2.377  -1.477  -3.233
   13    HA   CYS   3           HA       CYS   3   0.989  -0.313  -1.095
   14    HB2  CYS   3           HB2      CYS   3   3.870  -1.100  -0.898
   15    HB3  CYS   3           HB1      CYS   3   2.568  -1.338   0.265
   16    H    SER   4           HN       SER   4   3.426   0.983  -3.162
   17    HA   SER   4           HA       SER   4   4.595   2.890  -1.470
   18    HB2  SER   4           HB2      SER   4   5.484   2.295  -3.707
   19    HB3  SER   4           HB1      SER   4   4.103   3.098  -4.454
   20    HG   SER   4           HG       SER   4   5.099   4.865  -2.831
   21    H    ASP   5           HN       ASP   5   1.519   2.732  -2.983
   22    HA   ASP   5           HA       ASP   5   0.866   5.529  -2.764
   23    HB2  ASP   5           HB2      ASP   5  -0.099   4.116  -4.526
   24    HB3  ASP   5           HB1      ASP   5  -0.820   3.071  -3.315
   25    HA   PRO   6           HA       PRO   6   0.081   5.050   1.660
   26    HB2  PRO   6           HB2      PRO   6  -0.917   7.607   1.956
   27    HB3  PRO   6           HB1      PRO   6   0.795   7.183   2.029
   28    HG2  PRO   6           HG2      PRO   6  -0.784   8.310  -0.242
   29    HG3  PRO   6           HG1      PRO   6   0.866   8.698   0.280
   30    HD2  PRO   6           HD2      PRO   6   0.387   7.121  -1.843
   31    HD3  PRO   6           HD1      PRO   6   1.766   6.835  -0.760
   32    H    ARG   7           HN       ARG   7  -2.152   6.265  -0.743
   33    HA   ARG   7           HA       ARG   7  -4.513   6.101   0.834
   34    HB2  ARG   7           HB2      ARG   7  -4.375   7.484  -1.167
   35    HB3  ARG   7           HB1      ARG   7  -4.076   6.065  -2.157
   36    HG2  ARG   7           HG2      ARG   7  -6.409   5.330  -1.132
   37    HG3  ARG   7           HG1      ARG   7  -6.600   7.082  -1.010
   38    HD2  ARG   7           HD2      ARG   7  -7.445   6.238  -3.152
   39    HD3  ARG   7           HD1      ARG   7  -6.063   7.316  -3.380
   40    HE   ARG   7           HE       ARG   7  -4.852   5.553  -4.202
   41   HH11  ARG   7          HH11      ARG   7  -7.771   4.340  -2.718
   42   HH12  ARG   7          HH12      ARG   7  -7.405   2.667  -3.021
   43   HH21  ARG   7          HH21      ARG   7  -4.345   3.368  -4.601
   44   HH22  ARG   7          HH22      ARG   7  -5.454   2.123  -4.113
   45    H    PHE   8           HN       PHE   8  -2.801   3.937  -1.325
   46    HA   PHE   8           HA       PHE   8  -4.711   1.850  -1.432
   47    HB2  PHE   8           HB2      PHE   8  -2.749   2.175  -2.995
   48    HB3  PHE   8           HB1      PHE   8  -1.713   1.564  -1.711
   49    HD1  PHE   8           HD2      PHE   8  -4.972   0.520  -3.208
   50    HD2  PHE   8           HD1      PHE   8  -1.018  -0.587  -2.093
   51    HE1  PHE   8           HE2      PHE   8  -5.398  -1.776  -3.981
   52    HE2  PHE   8           HE1      PHE   8  -1.437  -2.882  -2.863
   53    HZ   PHE   8           HZ       PHE   8  -3.629  -3.479  -3.810
   54    H    ASN   9           HN       ASN   9  -2.236   2.728   0.843
   55    HA   ASN   9           HA       ASN   9  -2.050   0.280   2.253
   56    HB2  ASN   9           HB2      ASN   9  -1.602   3.113   3.234
   57    HB3  ASN   9           HB1      ASN   9  -1.139   1.663   4.109
   58   HD21  ASN   9          HD21      ASN   9  -0.571   0.734   1.107
   59   HD22  ASN   9          HD22      ASN   9   1.049   1.297   0.887
   60    H    TYR  10           HN       TYR  10  -4.270   2.942   2.308
   61    HA   TYR  10           HA       TYR  10  -5.545   2.122   4.763
   62    HB2  TYR  10           HB2      TYR  10  -5.295   4.502   4.196
   63    HB3  TYR  10           HB1      TYR  10  -6.315   4.269   2.781
   64    HD1  TYR  10           HD1      TYR  10  -6.616   3.212   6.358
   65    HD2  TYR  10           HD2      TYR  10  -8.347   5.306   3.084
   66    HE1  TYR  10           HE1      TYR  10  -8.608   3.683   7.721
   67    HE2  TYR  10           HE2      TYR  10 -10.343   5.784   4.438
   68    HH   TYR  10           HH       TYR  10 -11.193   4.211   7.080
   69    H    ASP  11           HN       ASP  11  -6.434   2.173   1.287
   70    HA   ASP  11           HA       ASP  11  -9.000   1.030   1.865
   71    HB2  ASP  11           HB2      ASP  11  -9.483   1.084  -0.447
   72    HB3  ASP  11           HB1      ASP  11  -8.565   2.540  -0.103
   73    H    HIS  12           HN       HIS  12  -5.883  -0.284   1.269
   74    HA   HIS  12           HA       HIS  12  -7.051  -2.957   1.433
   75    HB2  HIS  12           HB2      HIS  12  -5.271  -1.973  -0.776
   76    HB3  HIS  12           HB1      HIS  12  -5.311  -3.679  -0.334
   77    HD1  HIS  12           HD1      HIS  12  -7.901  -4.677  -0.273
   78    HD2  HIS  12           HD2      HIS  12  -7.124  -1.334  -2.634
   79    HE1  HIS  12           HE1      HIS  12  -9.817  -4.531  -1.905
   80    HE2  HIS  12           HE2      HIS  12  -9.434  -2.371  -3.147
   81    HA   PRO  13           HA       PRO  13  -3.289  -2.291   4.147
   82    HB2  PRO  13           HB2      PRO  13  -4.499  -3.107   6.448
   83    HB3  PRO  13           HB1      PRO  13  -4.485  -1.426   5.904
   84    HG2  PRO  13           HG2      PRO  13  -6.640  -3.483   5.649
   85    HG3  PRO  13           HG1      PRO  13  -6.775  -1.766   6.070
   86    HD2  PRO  13           HD2      PRO  13  -7.324  -2.703   3.593
   87    HD3  PRO  13           HD1      PRO  13  -6.643  -1.088   3.872
   88    H    GLU  14           HN       GLU  14  -5.675  -4.815   3.710
   89    HA   GLU  14           HA       GLU  14  -4.220  -6.911   4.944
   90    HB2  GLU  14           HB2      GLU  14  -5.830  -8.394   4.043
   91    HB3  GLU  14           HB1      GLU  14  -6.694  -6.913   4.413
   92    HG2  GLU  14           HG2      GLU  14  -5.695  -7.572   1.656
   93    HG3  GLU  14           HG1      GLU  14  -7.279  -8.063   2.245
   94    H    ILE  15           HN       ILE  15  -4.237  -5.599   1.681
   95    HA   ILE  15           HA       ILE  15  -2.758  -7.711   0.497
   96    HB   ILE  15           HB       ILE  15  -3.056  -4.834  -0.384
   97   HG12  ILE  15          HG12      ILE  15  -4.459  -7.380  -1.231
   98   HG13  ILE  15          HG11      ILE  15  -5.169  -6.058  -0.311
   99   HG21  ILE  15          HG21      ILE  15  -2.398  -6.880  -2.385
  100   HG22  ILE  15          HG22      ILE  15  -1.107  -6.525  -1.238
  101   HG23  ILE  15          HG23      ILE  15  -1.803  -5.229  -2.209
  102   HD11  ILE  15          HD11      ILE  15  -4.653  -4.596  -2.325
  103   HD12  ILE  15          HD12      ILE  15  -5.947  -5.783  -2.497
  104   HD13  ILE  15          HD13      ILE  15  -4.359  -6.101  -3.195
  105    H    CYS  16           HN       CYS  16  -1.758  -4.464   1.601
  106    HA   CYS  16           HA       CYS  16   0.660  -5.419   2.691
  107    HB2  CYS  16           HB2      CYS  16   2.257  -4.363   1.123
  108    HB3  CYS  16           HB1      CYS  16   1.374  -5.698   0.396
  109    H    GLY  17           HN       GLY  17  -1.290  -3.867   3.752
  110    HA2  GLY  17           HA2      GLY  17  -0.810  -1.070   3.541
  111    HA3  GLY  17           HA1      GLY  17  -1.662  -1.876   4.854
  112    H    GLY  18           HN       GLY  18   0.165  -3.470   5.976
  113    HA2  GLY  18           HA2      GLY  18   1.920  -1.583   7.288
  114    HA3  GLY  18           HA1      GLY  18   1.724  -3.285   7.693
  115    H    ALA  19           HN       ALA  19   2.278  -4.502   5.331
  116    HA   ALA  19           HA       ALA  19   5.152  -4.168   5.149
  117    HB1  ALA  19           HB1      ALA  19   4.142  -6.156   3.353
  118    HB2  ALA  19           HB2      ALA  19   3.375  -6.345   4.929
  119    HB3  ALA  19           HB3      ALA  19   5.133  -6.365   4.796
  120    H    ALA  20           HN       ALA  20   4.559  -1.963   4.191
  121    HA   ALA  20           HA       ALA  20   3.573  -1.779   1.548
  122    HB1  ALA  20           HB1      ALA  20   5.375   0.312   2.659
  123    HB2  ALA  20           HB2      ALA  20   3.823   0.011   3.443
  124    HB3  ALA  20           HB3      ALA  20   3.876   0.479   1.743
  125    H    GLY  21           HN       GLY  21   5.048  -3.631   0.790
  126    HA2  GLY  21           HA2      GLY  21   7.080  -2.459  -0.868
  127    HA3  GLY  21           HA1      GLY  21   7.753  -3.474   0.397
  128    H    GLY  22           HN       GLY  22   4.836  -3.827  -1.626
  129    HA2  GLY  22           HA2      GLY  22   6.003  -5.984  -3.126
  130    HA3  GLY  22           HA1      GLY  22   4.858  -6.536  -1.915
  Start of MODEL    8
    1    H1   GLY   1           HN       GLY   1   2.454  -5.236  -6.679
    2    HA2  GLY   1           HA2      GLY   1   3.581  -4.165  -4.271
    3    HA3  GLY   1           HA1      GLY   1   4.317  -4.148  -5.865
    4    H    HIS   2           HN       HIS   2   1.361  -2.698  -4.486
    5    HA   HIS   2           HA       HIS   2   2.327  -0.098  -5.499
    6    HB2  HIS   2           HB2      HIS   2   0.298  -1.122  -6.664
    7    HB3  HIS   2           HB1      HIS   2  -0.578  -0.867  -5.161
    8    HD1  HIS   2           HD1      HIS   2   1.647   1.385  -7.301
    9    HD2  HIS   2           HD2      HIS   2  -2.051   1.372  -5.408
   10    HE1  HIS   2           HE1      HIS   2   0.654   3.648  -7.749
   11    HE2  HIS   2           HE2      HIS   2  -1.442   3.708  -6.352
   12    H    CYS   3           HN       CYS   3   2.861  -1.291  -2.937
   13    HA   CYS   3           HA       CYS   3   1.177  -0.198  -0.927
   14    HB2  CYS   3           HB2      CYS   3   2.715  -2.148  -0.605
   15    HB3  CYS   3           HB1      CYS   3   4.074  -1.031  -0.665
   16    H    SER   4           HN       SER   4   3.398   1.238  -2.999
   17    HA   SER   4           HA       SER   4   4.437   3.255  -1.287
   18    HB2  SER   4           HB2      SER   4   4.818   4.365  -3.645
   19    HB3  SER   4           HB1      SER   4   5.747   2.942  -3.171
   20    HG   SER   4           HG       SER   4   4.869   2.698  -5.259
   21    H    ASP   5           HN       ASP   5   1.446   2.788  -2.873
   22    HA   ASP   5           HA       ASP   5   0.692   5.573  -2.997
   23    HB2  ASP   5           HB2      ASP   5  -0.102   3.631  -4.515
   24    HB3  ASP   5           HB1      ASP   5  -1.189   3.234  -3.192
   25    HA   PRO   6           HA       PRO   6  -0.464   5.632   1.346
   26    HB2  PRO   6           HB2      PRO   6  -1.690   8.210   0.576
   27    HB3  PRO   6           HB1      PRO   6  -0.470   7.869   1.807
   28    HG2  PRO   6           HG2      PRO   6   0.169   9.114  -0.474
   29    HG3  PRO   6           HG1      PRO   6   1.276   7.960   0.293
   30    HD2  PRO   6           HD2      PRO   6  -0.528   7.576  -2.065
   31    HD3  PRO   6           HD1      PRO   6   1.132   6.998  -1.810
   32    H    ARG   7           HN       ARG   7  -2.608   6.421  -1.329
   33    HA   ARG   7           HA       ARG   7  -5.045   6.222   0.128
   34    HB2  ARG   7           HB2      ARG   7  -4.594   5.860  -2.838
   35    HB3  ARG   7           HB1      ARG   7  -6.116   6.251  -2.049
   36    HG2  ARG   7           HG2      ARG   7  -5.416   8.419  -1.523
   37    HG3  ARG   7           HG1      ARG   7  -3.721   8.041  -1.839
   38    HD2  ARG   7           HD2      ARG   7  -5.925   8.136  -3.896
   39    HD3  ARG   7           HD1      ARG   7  -4.699   9.379  -3.641
   40    HE   ARG   7           HE       ARG   7  -3.416   6.909  -4.095
   41   HH11  ARG   7          HH11      ARG   7  -5.310   9.316  -5.804
   42   HH12  ARG   7          HH12      ARG   7  -4.606   8.964  -7.345
   43   HH21  ARG   7          HH21      ARG   7  -2.489   6.432  -6.113
   44   HH22  ARG   7          HH22      ARG   7  -2.993   7.320  -7.525
   45    H    PHE   8           HN       PHE   8  -3.182   4.030  -1.890
   46    HA   PHE   8           HA       PHE   8  -4.963   1.868  -1.956
   47    HB2  PHE   8           HB2      PHE   8  -2.859   2.190  -3.336
   48    HB3  PHE   8           HB1      PHE   8  -1.950   1.652  -1.929
   49    HD1  PHE   8           HD2      PHE   8  -5.064   0.464  -3.611
   50    HD2  PHE   8           HD1      PHE   8  -1.151  -0.469  -2.225
   51    HE1  PHE   8           HE2      PHE   8  -5.370  -1.869  -4.327
   52    HE2  PHE   8           HE1      PHE   8  -1.449  -2.803  -2.940
   53    HZ   PHE   8           HZ       PHE   8  -3.562  -3.504  -3.992
   54    H    ASN   9           HN       ASN   9  -2.409   2.698   0.350
   55    HA   ASN   9           HA       ASN   9  -2.654   0.356   1.926
   56    HB2  ASN   9           HB2      ASN   9  -1.535   3.084   2.571
   57    HB3  ASN   9           HB1      ASN   9  -1.482   1.727   3.693
   58   HD21  ASN   9          HD21      ASN   9   0.405   3.371   1.785
   59   HD22  ASN   9          HD22      ASN   9   1.451   2.140   1.172
   60    H    TYR  10           HN       TYR  10  -4.328   3.414   1.909
   61    HA   TYR  10           HA       TYR  10  -5.543   3.086   4.468
   62    HB2  TYR  10           HB2      TYR  10  -5.268   5.301   3.436
   63    HB3  TYR  10           HB1      TYR  10  -6.357   4.835   2.134
   64    HD1  TYR  10           HD2      TYR  10  -6.534   4.513   5.858
   65    HD2  TYR  10           HD1      TYR  10  -8.339   5.995   2.302
   66    HE1  TYR  10           HE2      TYR  10  -8.448   5.321   7.173
   67    HE2  TYR  10           HE1      TYR  10 -10.257   6.808   3.608
   68    HH   TYR  10           HH       TYR  10 -11.193   5.864   6.280
   69    H    ASP  11           HN       ASP  11  -6.610   2.555   1.133
   70    HA   ASP  11           HA       ASP  11  -9.208   1.640   1.873
   71    HB2  ASP  11           HB2      ASP  11  -8.686   2.680  -0.322
   72    HB3  ASP  11           HB1      ASP  11  -7.746   1.255  -0.747
   73    H    HIS  12           HN       HIS  12  -6.166  -0.008   1.042
   74    HA   HIS  12           HA       HIS  12  -7.317  -2.455   2.182
   75    HB2  HIS  12           HB2      HIS  12  -5.946  -2.313  -0.505
   76    HB3  HIS  12           HB1      HIS  12  -6.270  -3.813   0.356
   77    HD1  HIS  12           HD1      HIS  12  -8.952  -4.179   0.911
   78    HD2  HIS  12           HD2      HIS  12  -7.914  -1.560  -2.153
   79    HE1  HIS  12           HE1      HIS  12 -11.061  -3.804  -0.413
   80    HE2  HIS  12           HE2      HIS  12 -10.457  -1.959  -2.025
   81    HA   PRO  13           HA       PRO  13  -3.011  -1.568   3.783
   82    HB2  PRO  13           HB2      PRO  13  -3.659  -2.249   6.360
   83    HB3  PRO  13           HB1      PRO  13  -3.770  -0.605   5.725
   84    HG2  PRO  13           HG2      PRO  13  -5.925  -2.643   6.100
   85    HG3  PRO  13           HG1      PRO  13  -5.968  -0.898   6.404
   86    HD2  PRO  13           HD2      PRO  13  -7.066  -2.003   4.200
   87    HD3  PRO  13           HD1      PRO  13  -6.322  -0.391   4.179
   88    H    GLU  14           HN       GLU  14  -5.363  -4.061   4.120
   89    HA   GLU  14           HA       GLU  14  -3.974  -6.191   5.188
   90    HB2  GLU  14           HB2      GLU  14  -5.647  -7.567   3.933
   91    HB3  GLU  14           HB1      GLU  14  -6.357  -6.239   4.845
   92    HG2  GLU  14           HG2      GLU  14  -6.032  -4.982   2.529
   93    HG3  GLU  14           HG1      GLU  14  -6.137  -6.630   1.916
   94    H    ILE  15           HN       ILE  15  -4.103  -5.084   1.828
   95    HA   ILE  15           HA       ILE  15  -2.802  -7.258   0.653
   96    HB   ILE  15           HB       ILE  15  -2.935  -4.381  -0.243
   97   HG12  ILE  15          HG12      ILE  15  -4.505  -6.854  -1.009
   98   HG13  ILE  15          HG11      ILE  15  -5.100  -5.505  -0.048
   99   HG21  ILE  15          HG21      ILE  15  -2.057  -6.815  -1.797
  100   HG22  ILE  15          HG22      ILE  15  -1.026  -5.476  -1.292
  101   HG23  ILE  15          HG23      ILE  15  -2.313  -5.203  -2.468
  102   HD11  ILE  15          HD11      ILE  15  -5.975  -4.930  -2.049
  103   HD12  ILE  15          HD12      ILE  15  -4.698  -5.729  -2.965
  104   HD13  ILE  15          HD13      ILE  15  -4.400  -4.157  -2.223
  105    H    CYS  16           HN       CYS  16  -1.407  -4.176   1.812
  106    HA   CYS  16           HA       CYS  16   1.254  -5.058   1.171
  107    HB2  CYS  16           HB2      CYS  16   0.561  -2.640   1.177
  108    HB3  CYS  16           HB1      CYS  16   0.469  -2.728   2.933
  109    H    GLY  17           HN       GLY  17  -0.775  -4.922   4.030
  110    HA2  GLY  17           HA2      GLY  17   1.175  -5.479   5.970
  111    HA3  GLY  17           HA1      GLY  17  -0.542  -5.795   6.129
  112    H    GLY  18           HN       GLY  18  -0.916  -7.749   4.155
  113    HA2  GLY  18           HA2      GLY  18   1.051  -9.811   4.387
  114    HA3  GLY  18           HA1      GLY  18  -0.273 -10.063   5.511
  115    H    ALA  19           HN       ALA  19   0.199  -9.240   2.077
  116    HA   ALA  19           HA       ALA  19  -1.453 -11.484   1.303
  117    HB1  ALA  19           HB1      ALA  19  -3.216 -10.363   0.320
  118    HB2  ALA  19           HB2      ALA  19  -2.330  -8.842   0.217
  119    HB3  ALA  19           HB3      ALA  19  -2.944  -9.401   1.773
  120    H    ALA  20           HN       ALA  20   0.233  -8.554   0.290
  121    HA   ALA  20           HA       ALA  20   1.624  -8.075  -1.433
  122    HB1  ALA  20           HB1      ALA  20   2.039 -11.057  -1.352
  123    HB2  ALA  20           HB2      ALA  20   3.032  -9.808  -0.602
  124    HB3  ALA  20           HB3      ALA  20   2.986  -9.960  -2.358
  125    H    GLY  21           HN       GLY  21  -1.108  -8.295  -2.034
  126    HA2  GLY  21           HA2      GLY  21  -1.609  -9.787  -4.392
  127    HA3  GLY  21           HA1      GLY  21  -2.571  -8.441  -3.798
  128    H    GLY  22           HN       GLY  22  -0.238  -6.637  -3.816
  129    HA2  GLY  22           HA2      GLY  22   0.677  -6.474  -6.529
  130    HA3  GLY  22           HA1      GLY  22  -0.586  -5.305  -6.166
  Start of MODEL    9
    1    H1   GLY   1           HN       GLY   1   1.689  -4.844  -5.967
    2    HA2  GLY   1           HA2      GLY   1  -1.041  -4.497  -5.373
    3    HA3  GLY   1           HA1      GLY   1  -0.103  -4.239  -3.910
    4    H    HIS   2           HN       HIS   2  -0.237  -2.123  -3.603
    5    HA   HIS   2           HA       HIS   2   1.136  -0.344  -5.419
    6    HB2  HIS   2           HB2      HIS   2  -1.154  -0.505  -6.381
    7    HB3  HIS   2           HB1      HIS   2  -1.828   0.002  -4.845
    8    HD1  HIS   2           HD1      HIS   2   0.821   1.534  -7.149
    9    HD2  HIS   2           HD2      HIS   2  -2.664   2.521  -5.116
   10    HE1  HIS   2           HE1      HIS   2   0.410   3.966  -7.652
   11    HE2  HIS   2           HE2      HIS   2  -1.555   4.593  -6.190
   12    H    CYS   3           HN       CYS   3   1.501  -1.312  -2.773
   13    HA   CYS   3           HA       CYS   3   0.605   0.372  -0.734
   14    HB2  CYS   3           HB2      CYS   3   3.180  -1.201  -0.839
   15    HB3  CYS   3           HB1      CYS   3   2.394  -0.589   0.613
   16    H    SER   4           HN       SER   4   2.956   0.994  -3.149
   17    HA   SER   4           HA       SER   4   4.654   2.780  -1.798
   18    HB2  SER   4           HB2      SER   4   3.856   3.095  -4.687
   19    HB3  SER   4           HB1      SER   4   5.428   3.393  -3.941
   20    HG   SER   4           HG       SER   4   5.912   1.350  -4.139
   21    H    ASP   5           HN       ASP   5   1.456   3.036  -3.025
   22    HA   ASP   5           HA       ASP   5   1.340   5.941  -2.715
   23    HB2  ASP   5           HB2      ASP   5   0.429   4.972  -4.761
   24    HB3  ASP   5           HB1      ASP   5  -0.605   3.907  -3.827
   25    HA   PRO   6           HA       PRO   6  -0.194   5.416   1.459
   26    HB2  PRO   6           HB2      PRO   6  -1.317   7.944   1.598
   27    HB3  PRO   6           HB1      PRO   6   0.369   7.561   1.959
   28    HG2  PRO   6           HG2      PRO   6  -0.835   8.646  -0.555
   29    HG3  PRO   6           HG1      PRO   6   0.686   9.092   0.245
   30    HD2  PRO   6           HD2      PRO   6   0.681   7.517  -1.912
   31    HD3  PRO   6           HD1      PRO   6   1.804   7.218  -0.567
   32    H    ARG   7           HN       ARG   7  -2.126   6.521  -1.252
   33    HA   ARG   7           HA       ARG   7  -4.666   6.424  -0.026
   34    HB2  ARG   7           HB2      ARG   7  -3.943   5.951  -2.923
   35    HB3  ARG   7           HB1      ARG   7  -5.543   6.349  -2.313
   36    HG2  ARG   7           HG2      ARG   7  -4.883   8.528  -1.716
   37    HG3  ARG   7           HG1      ARG   7  -3.173   8.148  -1.926
   38    HD2  ARG   7           HD2      ARG   7  -4.013   9.465  -3.798
   39    HD3  ARG   7           HD1      ARG   7  -3.527   7.854  -4.323
   40    HE   ARG   7           HE       ARG   7  -6.279   7.871  -3.714
   41   HH11  ARG   7          HH11      ARG   7  -4.005   8.996  -6.108
   42   HH12  ARG   7          HH12      ARG   7  -5.162   9.026  -7.396
   43   HH21  ARG   7          HH21      ARG   7  -7.832   7.896  -5.409
   44   HH22  ARG   7          HH22      ARG   7  -7.353   8.396  -6.996
   45    H    PHE   8           HN       PHE   8  -2.868   4.011  -1.898
   46    HA   PHE   8           HA       PHE   8  -4.861   2.009  -1.801
   47    HB2  PHE   8           HB2      PHE   8  -2.915   2.042  -3.387
   48    HB3  PHE   8           HB1      PHE   8  -1.885   1.555  -2.044
   49    HD1  PHE   8           HD2      PHE   8  -4.992   0.521  -3.816
   50    HD2  PHE   8           HD1      PHE   8  -1.524  -0.693  -1.670
   51    HE1  PHE   8           HE2      PHE   8  -5.545  -1.832  -4.263
   52    HE2  PHE   8           HE1      PHE   8  -2.071  -3.050  -2.115
   53    HZ   PHE   8           HZ       PHE   8  -4.085  -3.622  -3.413
   54    H    ASN   9           HN       ASN   9  -2.274   2.895   0.388
   55    HA   ASN   9           HA       ASN   9  -2.247   0.584   1.983
   56    HB2  ASN   9           HB2      ASN   9  -1.529   3.455   2.521
   57    HB3  ASN   9           HB1      ASN   9  -1.472   2.257   3.811
   58   HD21  ASN   9          HD21      ASN   9   0.257   3.718   1.397
   59   HD22  ASN   9          HD22      ASN   9   1.546   2.581   1.244
   60    H    TYR  10           HN       TYR  10  -4.324   3.390   1.954
   61    HA   TYR  10           HA       TYR  10  -5.710   2.660   4.374
   62    HB2  TYR  10           HB2      TYR  10  -5.470   5.024   3.705
   63    HB3  TYR  10           HB1      TYR  10  -6.399   4.701   2.245
   64    HD1  TYR  10           HD2      TYR  10  -6.909   3.806   5.840
   65    HD2  TYR  10           HD1      TYR  10  -8.455   5.731   2.376
   66    HE1  TYR  10           HE2      TYR  10  -8.986   4.312   7.055
   67    HE2  TYR  10           HE1      TYR  10 -10.536   6.244   3.581
   68    HH   TYR  10           HH       TYR  10 -11.589   4.794   6.123
   69    H    ASP  11           HN       ASP  11  -6.239   2.504   0.907
   70    HA   ASP  11           HA       ASP  11  -8.890   1.563   0.905
   71    HB2  ASP  11           HB2      ASP  11  -7.794   2.533  -1.061
   72    HB3  ASP  11           HB1      ASP  11  -6.676   1.179  -1.126
   73    H    HIS  12           HN       HIS  12  -5.819  -0.247   0.547
   74    HA   HIS  12           HA       HIS  12  -7.212  -2.604   1.616
   75    HB2  HIS  12           HB2      HIS  12  -5.521  -2.551  -0.889
   76    HB3  HIS  12           HB1      HIS  12  -5.991  -4.030  -0.057
   77    HD1  HIS  12           HD1      HIS  12  -8.695  -4.366   0.157
   78    HD2  HIS  12           HD2      HIS  12  -7.310  -1.683  -2.706
   79    HE1  HIS  12           HE1      HIS  12 -10.649  -3.927  -1.371
   80    HE2  HIS  12           HE2      HIS  12  -9.854  -2.062  -2.871
   81    HA   PRO  13           HA       PRO  13  -3.149  -1.876   3.769
   82    HB2  PRO  13           HB2      PRO  13  -4.153  -2.408   6.251
   83    HB3  PRO  13           HB1      PRO  13  -4.156  -0.794   5.531
   84    HG2  PRO  13           HG2      PRO  13  -6.367  -2.803   5.695
   85    HG3  PRO  13           HG1      PRO  13  -6.427  -1.049   5.943
   86    HD2  PRO  13           HD2      PRO  13  -7.234  -2.212   3.642
   87    HD3  PRO  13           HD1      PRO  13  -6.482  -0.604   3.678
   88    H    GLU  14           HN       GLU  14  -5.457  -4.327   3.408
   89    HA   GLU  14           HA       GLU  14  -4.458  -6.444   4.914
   90    HB2  GLU  14           HB2      GLU  14  -5.652  -7.854   3.193
   91    HB3  GLU  14           HB1      GLU  14  -6.628  -6.590   3.935
   92    HG2  GLU  14           HG2      GLU  14  -5.997  -5.165   1.909
   93    HG3  GLU  14           HG1      GLU  14  -5.456  -6.672   1.176
   94    H    ILE  15           HN       ILE  15  -3.753  -5.569   1.536
   95    HA   ILE  15           HA       ILE  15  -1.962  -7.683   1.034
   96    HB   ILE  15           HB       ILE  15  -2.125  -4.977  -0.303
   97   HG12  ILE  15          HG12      ILE  15  -3.387  -7.635  -1.022
   98   HG13  ILE  15          HG11      ILE  15  -4.235  -6.232  -0.382
   99   HG21  ILE  15          HG21      ILE  15  -1.014  -7.483  -1.525
  100   HG22  ILE  15          HG22      ILE  15   0.003  -6.369  -0.611
  101   HG23  ILE  15          HG23      ILE  15  -0.831  -5.812  -2.062
  102   HD11  ILE  15          HD11      ILE  15  -4.201  -6.786  -2.953
  103   HD12  ILE  15          HD12      ILE  15  -2.681  -5.895  -2.884
  104   HD13  ILE  15          HD13      ILE  15  -4.180  -5.124  -2.365
  105    H    CYS  16           HN       CYS  16  -1.379  -4.297   1.899
  106    HA   CYS  16           HA       CYS  16   1.438  -4.522   1.970
  107    HB2  CYS  16           HB2      CYS  16  -0.244  -2.494   3.444
  108    HB3  CYS  16           HB1      CYS  16   1.410  -2.306   2.867
  109    H    GLY  17           HN       GLY  17  -1.073  -5.090   4.324
  110    HA2  GLY  17           HA2      GLY  17   0.589  -5.076   6.630
  111    HA3  GLY  17           HA1      GLY  17  -1.030  -5.743   6.518
  112    H    GLY  18           HN       GLY  18  -0.695  -7.767   4.640
  113    HA2  GLY  18           HA2      GLY  18   1.594  -9.365   5.356
  114    HA3  GLY  18           HA1      GLY  18   0.115  -9.899   6.136
  115    H    ALA  19           HN       ALA  19   0.769  -8.680   2.861
  116    HA   ALA  19           HA       ALA  19   0.234 -11.299   1.732
  117    HB1  ALA  19           HB1      ALA  19  -1.405  -9.200   0.470
  118    HB2  ALA  19           HB2      ALA  19  -1.939  -9.725   2.066
  119    HB3  ALA  19           HB3      ALA  19  -1.767 -10.901   0.764
  120    H    ALA  20           HN       ALA  20   2.584 -10.070   1.752
  121    HA   ALA  20           HA       ALA  20   3.146  -8.268  -0.321
  122    HB1  ALA  20           HB1      ALA  20   4.873  -8.356   1.163
  123    HB2  ALA  20           HB2      ALA  20   5.506  -9.439  -0.076
  124    HB3  ALA  20           HB3      ALA  20   4.751 -10.102   1.374
  125    H    GLY  21           HN       GLY  21   3.383  -8.494  -2.428
  126    HA2  GLY  21           HA2      GLY  21   4.434 -10.607  -3.851
  127    HA3  GLY  21           HA1      GLY  21   2.706 -10.924  -3.741
  128    H    GLY  22           HN       GLY  22   1.682  -8.398  -3.857
  129    HA2  GLY  22           HA2      GLY  22   2.730  -6.795  -5.943
  130    HA3  GLY  22           HA1      GLY  22   1.493  -7.878  -6.573
  Start of MODEL   10
    1    H1   GLY   1           HN       GLY   1   5.276  -5.365  -5.270
    2    HA2  GLY   1           HA2      GLY   1   3.184  -5.288  -6.215
    3    HA3  GLY   1           HA1      GLY   1   2.621  -4.738  -4.641
    4    H    HIS   2           HN       HIS   2   1.781  -2.782  -4.539
    5    HA   HIS   2           HA       HIS   2   2.768  -0.633  -6.215
    6    HB2  HIS   2           HB2      HIS   2  -0.029  -1.739  -6.449
    7    HB3  HIS   2           HB1      HIS   2   0.307  -0.049  -6.803
    8    HD1  HIS   2           HD1      HIS   2   2.591   0.047  -8.577
    9    HD2  HIS   2           HD2      HIS   2  -0.052  -3.158  -8.734
   10    HE1  HIS   2           HE1      HIS   2   2.904  -0.972 -10.853
   11    HE2  HIS   2           HE2      HIS   2   1.386  -2.984 -10.878
   12    H    CYS   3           HN       CYS   3   2.723  -1.392  -3.421
   13    HA   CYS   3           HA       CYS   3   0.793   0.264  -2.086
   14    HB2  CYS   3           HB2      CYS   3   3.262  -1.016  -0.917
   15    HB3  CYS   3           HB1      CYS   3   1.808  -0.509  -0.060
   16    H    SER   4           HN       SER   4   2.556   1.607  -3.974
   17    HA   SER   4           HA       SER   4   4.413   3.187  -2.447
   18    HB2  SER   4           HB2      SER   4   3.337   3.788  -5.210
   19    HB3  SER   4           HB1      SER   4   4.873   4.303  -4.513
   20    HG   SER   4           HG       SER   4   5.715   2.373  -4.877
   21    H    ASP   5           HN       ASP   5   1.161   3.363  -3.623
   22    HA   ASP   5           HA       ASP   5   0.692   6.111  -2.990
   23    HB2  ASP   5           HB2      ASP   5  -0.563   4.937  -4.747
   24    HB3  ASP   5           HB1      ASP   5  -1.204   3.813  -3.557
   25    HA   PRO   6           HA       PRO   6   0.408   5.460   1.424
   26    HB2  PRO   6           HB2      PRO   6  -0.914   7.840   1.942
   27    HB3  PRO   6           HB1      PRO   6   0.837   7.656   1.816
   28    HG2  PRO   6           HG2      PRO   6  -1.122   8.612  -0.226
   29    HG3  PRO   6           HG1      PRO   6   0.513   9.201   0.125
   30    HD2  PRO   6           HD2      PRO   6   0.014   7.635  -1.993
   31    HD3  PRO   6           HD1      PRO   6   1.522   7.485  -1.067
   32    H    ARG   7           HN       ARG   7  -2.371   6.610  -0.429
   33    HA   ARG   7           HA       ARG   7  -4.320   5.869   1.490
   34    HB2  ARG   7           HB2      ARG   7  -5.063   7.493   0.018
   35    HB3  ARG   7           HB1      ARG   7  -4.340   6.718  -1.376
   36    HG2  ARG   7           HG2      ARG   7  -6.645   5.398  -0.013
   37    HG3  ARG   7           HG1      ARG   7  -6.933   6.781  -1.073
   38    HD2  ARG   7           HD2      ARG   7  -5.717   4.115  -1.759
   39    HD3  ARG   7           HD1      ARG   7  -7.146   4.882  -2.456
   40    HE   ARG   7           HE       ARG   7  -4.351   5.460  -3.075
   41   HH11  ARG   7          HH11      ARG   7  -7.725   6.271  -3.544
   42   HH12  ARG   7          HH12      ARG   7  -7.415   7.337  -4.873
   43   HH21  ARG   7          HH21      ARG   7  -3.916   6.858  -4.796
   44   HH22  ARG   7          HH22      ARG   7  -5.234   7.672  -5.597
   45    H    PHE   8           HN       PHE   8  -2.933   4.266  -1.334
   46    HA   PHE   8           HA       PHE   8  -4.639   2.070  -1.510
   47    HB2  PHE   8           HB2      PHE   8  -2.841   2.659  -3.150
   48    HB3  PHE   8           HB1      PHE   8  -1.657   2.016  -2.018
   49    HD1  PHE   8           HD1      PHE   8  -4.981   0.796  -3.194
   50    HD2  PHE   8           HD2      PHE   8  -0.811   0.022  -2.816
   51    HE1  PHE   8           HE1      PHE   8  -5.313  -1.452  -4.135
   52    HE2  PHE   8           HE2      PHE   8  -1.138  -2.224  -3.755
   53    HZ   PHE   8           HZ       PHE   8  -3.390  -2.964  -4.418
   54    H    ASN   9           HN       ASN   9  -1.813   2.543   0.548
   55    HA   ASN   9           HA       ASN   9  -1.608  -0.046   1.595
   56    HB2  ASN   9           HB2      ASN   9  -0.856   2.659   2.694
   57    HB3  ASN   9           HB1      ASN   9  -0.571   1.183   3.608
   58   HD21  ASN   9          HD21      ASN   9   0.638   3.277   1.278
   59   HD22  ASN   9          HD22      ASN   9   1.955   2.307   0.719
   60    H    TYR  10           HN       TYR  10  -3.526   2.726   2.649
   61    HA   TYR  10           HA       TYR  10  -4.649   1.334   4.905
   62    HB2  TYR  10           HB2      TYR  10  -4.328   3.771   4.946
   63    HB3  TYR  10           HB1      TYR  10  -5.446   3.947   3.598
   64    HD1  TYR  10           HD1      TYR  10  -5.575   2.048   6.822
   65    HD2  TYR  10           HD2      TYR  10  -7.403   4.933   4.286
   66    HE1  TYR  10           HE1      TYR  10  -7.452   2.237   8.400
   67    HE2  TYR  10           HE2      TYR  10  -9.285   5.131   5.858
   68    HH   TYR  10           HH       TYR  10 -10.168   3.106   7.932
   69    H    ASP  11           HN       ASP  11  -5.592   2.129   1.634
   70    HA   ASP  11           HA       ASP  11  -8.301   1.459   1.691
   71    HB2  ASP  11           HB2      ASP  11  -7.165   2.668  -0.156
   72    HB3  ASP  11           HB1      ASP  11  -6.353   1.175  -0.611
   73    H    HIS  12           HN       HIS  12  -5.437  -0.545   1.211
   74    HA   HIS  12           HA       HIS  12  -7.168  -2.894   1.523
   75    HB2  HIS  12           HB2      HIS  12  -5.061  -2.463  -0.574
   76    HB3  HIS  12           HB1      HIS  12  -5.534  -4.085  -0.069
   77    HD1  HIS  12           HD1      HIS  12  -8.219  -4.566  -0.291
   78    HD2  HIS  12           HD2      HIS  12  -6.649  -1.391  -2.475
   79    HE1  HIS  12           HE1      HIS  12  -9.980  -3.964  -1.987
   80    HE2  HIS  12           HE2      HIS  12  -9.116  -1.850  -3.057
   81    HA   PRO  13           HA       PRO  13  -3.887  -2.985   4.748
   82    HB2  PRO  13           HB2      PRO  13  -5.526  -4.251   6.546
   83    HB3  PRO  13           HB1      PRO  13  -5.400  -2.496   6.391
   84    HG2  PRO  13           HG2      PRO  13  -7.462  -4.354   5.282
   85    HG3  PRO  13           HG1      PRO  13  -7.672  -2.751   6.012
   86    HD2  PRO  13           HD2      PRO  13  -7.722  -3.124   3.344
   87    HD3  PRO  13           HD1      PRO  13  -7.059  -1.649   4.077
   88    H    GLU  14           HN       GLU  14  -6.033  -5.377   3.360
   89    HA   GLU  14           HA       GLU  14  -4.774  -7.681   4.432
   90    HB2  GLU  14           HB2      GLU  14  -6.037  -8.948   2.831
   91    HB3  GLU  14           HB1      GLU  14  -7.066  -7.653   3.415
   92    HG2  GLU  14           HG2      GLU  14  -5.519  -7.249   0.901
   93    HG3  GLU  14           HG1      GLU  14  -6.955  -8.265   0.871
   94    H    ILE  15           HN       ILE  15  -4.187  -5.680   1.628
   95    HA   ILE  15           HA       ILE  15  -2.211  -7.485   0.532
   96    HB   ILE  15           HB       ILE  15  -2.924  -4.665  -0.297
   97   HG12  ILE  15          HG12      ILE  15  -3.755  -7.328  -1.477
   98   HG13  ILE  15          HG11      ILE  15  -4.791  -6.271  -0.523
   99   HG21  ILE  15          HG21      ILE  15  -1.490  -4.831  -2.060
  100   HG22  ILE  15          HG22      ILE  15  -1.622  -6.588  -2.146
  101   HG23  ILE  15          HG23      ILE  15  -0.619  -5.839  -0.904
  102   HD11  ILE  15          HD11      ILE  15  -5.081  -4.793  -2.227
  103   HD12  ILE  15          HD12      ILE  15  -4.854  -6.277  -3.153
  104   HD13  ILE  15          HD13      ILE  15  -3.514  -5.148  -2.954
  105    H    CYS  16           HN       CYS  16  -2.226  -4.251   2.022
  106    HA   CYS  16           HA       CYS  16   0.277  -4.701   3.302
  107    HB2  CYS  16           HB2      CYS  16   1.426  -2.757   2.080
  108    HB3  CYS  16           HB1      CYS  16   1.346  -4.306   1.250
  109    H    GLY  17           HN       GLY  17  -1.619  -4.115   4.776
  110    HA2  GLY  17           HA2      GLY  17  -2.450  -1.386   4.916
  111    HA3  GLY  17           HA1      GLY  17  -2.706  -2.613   6.142
  112    H    GLY  18           HN       GLY  18   0.145  -0.967   4.759
  113    HA2  GLY  18           HA2      GLY  18   0.868   0.719   6.718
  114    HA3  GLY  18           HA1      GLY  18   1.350  -0.829   7.398
  115    H    ALA  19           HN       ALA  19   2.316  -2.178   5.267
  116    HA   ALA  19           HA       ALA  19   4.084  -0.682   3.625
  117    HB1  ALA  19           HB1      ALA  19   6.159  -1.794   4.794
  118    HB2  ALA  19           HB2      ALA  19   5.118  -1.743   6.217
  119    HB3  ALA  19           HB3      ALA  19   5.525  -0.251   5.368
  120    H    ALA  20           HN       ALA  20   5.629  -2.166   2.481
  121    HA   ALA  20           HA       ALA  20   5.239  -4.990   2.605
  122    HB1  ALA  20           HB1      ALA  20   4.141  -5.338   0.485
  123    HB2  ALA  20           HB2      ALA  20   4.077  -3.600   0.192
  124    HB3  ALA  20           HB3      ALA  20   3.125  -4.308   1.496
  125    H    GLY  21           HN       GLY  21   6.191  -2.241   0.586
  126    HA2  GLY  21           HA2      GLY  21   8.239  -1.795  -0.394
  127    HA3  GLY  21           HA1      GLY  21   8.854  -3.286   0.304
  128    H    GLY  22           HN       GLY  22   6.006  -3.051  -1.716
  129    HA2  GLY  22           HA2      GLY  22   7.211  -3.657  -4.183
  130    HA3  GLY  22           HA1      GLY  22   6.717  -5.155  -3.402
  Start of MODEL   11
    1    H1   GLY   1           HN       GLY   1   3.565  -5.564  -3.905
    2    HA2  GLY   1           HA2      GLY   1   0.948  -5.745  -5.017
    3    HA3  GLY   1           HA1      GLY   1   0.911  -4.990  -3.428
    4    H    HIS   2           HN       HIS   2   0.567  -2.902  -3.808
    5    HA   HIS   2           HA       HIS   2   2.599  -1.398  -5.236
    6    HB2  HIS   2           HB2      HIS   2  -0.246  -1.623  -6.164
    7    HB3  HIS   2           HB1      HIS   2   0.613  -0.106  -6.386
    8    HD1  HIS   2           HD1      HIS   2   3.139  -0.603  -7.603
    9    HD2  HIS   2           HD2      HIS   2  -0.019  -3.207  -8.325
   10    HE1  HIS   2           HE1      HIS   2   3.741  -1.820  -9.718
   11    HE2  HIS   2           HE2      HIS   2   1.880  -3.484 -10.058
   12    H    CYS   3           HN       CYS   3   2.075  -1.552  -2.546
   13    HA   CYS   3           HA       CYS   3   0.356   0.570  -1.687
   14    HB2  CYS   3           HB2      CYS   3   2.447  -0.973  -0.149
   15    HB3  CYS   3           HB1      CYS   3   1.177   0.033   0.546
   16    H    SER   4           HN       SER   4   2.190   1.572  -3.525
   17    HA   SER   4           HA       SER   4   4.293   2.941  -2.105
   18    HB2  SER   4           HB2      SER   4   4.414   4.148  -4.426
   19    HB3  SER   4           HB1      SER   4   4.907   2.458  -4.306
   20    HG   SER   4           HG       SER   4   2.781   3.584  -5.635
   21    H    ASP   5           HN       ASP   5   1.120   3.617  -3.412
   22    HA   ASP   5           HA       ASP   5   1.208   6.411  -2.662
   23    HB2  ASP   5           HB2      ASP   5   0.038   5.677  -4.725
   24    HB3  ASP   5           HB1      ASP   5  -1.086   4.749  -3.741
   25    HA   PRO   6           HA       PRO   6  -0.118   5.855   1.524
   26    HB2  PRO   6           HB2      PRO   6  -1.533   8.240   1.728
   27    HB3  PRO   6           HB1      PRO   6   0.198   8.043   2.009
   28    HG2  PRO   6           HG2      PRO   6  -1.229   9.006  -0.429
   29    HG3  PRO   6           HG1      PRO   6   0.293   9.575   0.282
   30    HD2  PRO   6           HD2      PRO   6   0.277   8.011  -1.887
   31    HD3  PRO   6           HD1      PRO   6   1.515   7.819  -0.627
   32    H    ARG   7           HN       ARG   7  -2.501   6.781  -0.947
   33    HA   ARG   7           HA       ARG   7  -4.791   6.222   0.646
   34    HB2  ARG   7           HB2      ARG   7  -4.339   6.541  -2.300
   35    HB3  ARG   7           HB1      ARG   7  -5.877   5.926  -1.717
   36    HG2  ARG   7           HG2      ARG   7  -6.164   8.234  -2.025
   37    HG3  ARG   7           HG1      ARG   7  -6.026   7.993  -0.285
   38    HD2  ARG   7           HD2      ARG   7  -4.737   9.932  -0.985
   39    HD3  ARG   7           HD1      ARG   7  -3.670   8.661  -0.387
   40    HE   ARG   7           HE       ARG   7  -2.805   8.383  -2.506
   41   HH11  ARG   7          HH11      ARG   7  -5.534  10.588  -2.637
   42   HH12  ARG   7          HH12      ARG   7  -5.264  11.018  -4.291
   43   HH21  ARG   7          HH21      ARG   7  -2.449   8.919  -4.664
   44   HH22  ARG   7          HH22      ARG   7  -3.496  10.066  -5.455
   45    H    PHE   8           HN       PHE   8  -3.108   4.342  -1.843
   46    HA   PHE   8           HA       PHE   8  -4.688   2.072  -1.856
   47    HB2  PHE   8           HB2      PHE   8  -2.703   2.615  -3.358
   48    HB3  PHE   8           HB1      PHE   8  -1.681   1.974  -2.075
   49    HD1  PHE   8           HD1      PHE   8  -4.605   1.043  -4.185
   50    HD2  PHE   8           HD2      PHE   8  -1.163  -0.278  -2.064
   51    HE1  PHE   8           HE1      PHE   8  -4.933  -1.228  -5.071
   52    HE2  PHE   8           HE2      PHE   8  -1.481  -2.548  -2.950
   53    HZ   PHE   8           HZ       PHE   8  -3.365  -3.025  -4.459
   54    H    ASN   9           HN       ASN   9  -2.162   2.983   0.399
   55    HA   ASN   9           HA       ASN   9  -1.891   0.539   1.760
   56    HB2  ASN   9           HB2      ASN   9  -1.328   3.398   2.465
   57    HB3  ASN   9           HB1      ASN   9  -1.199   2.155   3.705
   58   HD21  ASN   9          HD21      ASN   9   0.345   3.702   1.133
   59   HD22  ASN   9          HD22      ASN   9   1.724   2.664   1.016
   60    H    TYR  10           HN       TYR  10  -4.138   3.211   2.159
   61    HA   TYR  10           HA       TYR  10  -5.356   2.066   4.516
   62    HB2  TYR  10           HB2      TYR  10  -5.209   4.508   4.249
   63    HB3  TYR  10           HB1      TYR  10  -6.192   4.412   2.793
   64    HD1  TYR  10           HD2      TYR  10  -6.522   2.937   6.216
   65    HD2  TYR  10           HD1      TYR  10  -8.267   5.330   3.163
   66    HE1  TYR  10           HE2      TYR  10  -8.555   3.182   7.579
   67    HE2  TYR  10           HE1      TYR  10 -10.304   5.584   4.517
   68    HH   TYR  10           HH       TYR  10 -11.440   4.168   6.413
   69    H    ASP  11           HN       ASP  11  -6.078   2.441   1.098
   70    HA   ASP  11           HA       ASP  11  -8.704   1.449   1.090
   71    HB2  ASP  11           HB2      ASP  11  -6.586   1.466  -1.065
   72    HB3  ASP  11           HB1      ASP  11  -8.249   0.972  -1.346
   73    H    HIS  12           HN       HIS  12  -5.599  -0.178   0.982
   74    HA   HIS  12           HA       HIS  12  -6.992  -2.738   1.298
   75    HB2  HIS  12           HB2      HIS  12  -4.963  -2.065  -0.814
   76    HB3  HIS  12           HB1      HIS  12  -5.163  -3.721  -0.247
   77    HD1  HIS  12           HD1      HIS  12  -7.696  -4.674  -0.468
   78    HD2  HIS  12           HD2      HIS  12  -6.710  -1.340  -2.765
   79    HE1  HIS  12           HE1      HIS  12  -9.487  -4.504  -2.234
   80    HE2  HIS  12           HE2      HIS  12  -8.981  -2.361  -3.462
   81    HA   PRO  13           HA       PRO  13  -3.531  -2.093   4.357
   82    HB2  PRO  13           HB2      PRO  13  -4.994  -2.966   6.493
   83    HB3  PRO  13           HB1      PRO  13  -4.927  -1.277   5.977
   84    HG2  PRO  13           HG2      PRO  13  -7.020  -3.343   5.435
   85    HG3  PRO  13           HG1      PRO  13  -7.216  -1.631   5.856
   86    HD2  PRO  13           HD2      PRO  13  -7.462  -2.528   3.323
   87    HD3  PRO  13           HD1      PRO  13  -6.803  -0.923   3.699
   88    H    GLU  14           HN       GLU  14  -5.771  -4.708   3.652
   89    HA   GLU  14           HA       GLU  14  -4.379  -6.731   5.063
   90    HB2  GLU  14           HB2      GLU  14  -5.777  -8.301   3.962
   91    HB3  GLU  14           HB1      GLU  14  -6.760  -6.875   4.238
   92    HG2  GLU  14           HG2      GLU  14  -5.413  -7.438   1.613
   93    HG3  GLU  14           HG1      GLU  14  -7.019  -8.033   2.010
   94    H    ILE  15           HN       ILE  15  -4.110  -5.470   1.789
   95    HA   ILE  15           HA       ILE  15  -2.241  -7.452   0.911
   96    HB   ILE  15           HB       ILE  15  -2.813  -4.712  -0.238
   97   HG12  ILE  15          HG12      ILE  15  -3.880  -7.432  -1.035
   98   HG13  ILE  15          HG11      ILE  15  -4.791  -6.190  -0.181
   99   HG21  ILE  15          HG21      ILE  15  -1.796  -5.570  -2.289
  100   HG22  ILE  15          HG22      ILE  15  -1.411  -7.083  -1.470
  101   HG23  ILE  15          HG23      ILE  15  -0.647  -5.581  -0.952
  102   HD11  ILE  15          HD11      ILE  15  -5.511  -5.784  -2.288
  103   HD12  ILE  15          HD12      ILE  15  -4.020  -6.364  -3.031
  104   HD13  ILE  15          HD13      ILE  15  -4.075  -4.760  -2.298
  105    H    CYS  16           HN       CYS  16  -1.988  -4.082   1.960
  106    HA   CYS  16           HA       CYS  16   0.812  -3.891   1.709
  107    HB2  CYS  16           HB2      CYS  16  -1.037  -2.290   3.484
  108    HB3  CYS  16           HB1      CYS  16   0.581  -1.819   2.969
  109    H    GLY  17           HN       GLY  17  -1.254  -4.793   4.436
  110    HA2  GLY  17           HA2      GLY  17   0.999  -4.936   6.243
  111    HA3  GLY  17           HA1      GLY  17  -0.665  -5.356   6.610
  112    H    GLY  18           HN       GLY  18  -1.123  -7.289   4.628
  113    HA2  GLY  18           HA2      GLY  18   0.134  -9.530   5.887
  114    HA3  GLY  18           HA1      GLY  18  -1.022  -9.589   4.570
  115    H    ALA  19           HN       ALA  19   0.197  -8.347   2.518
  116    HA   ALA  19           HA       ALA  19   2.334 -10.220   1.919
  117    HB1  ALA  19           HB1      ALA  19   2.066  -8.830  -0.366
  118    HB2  ALA  19           HB2      ALA  19   0.473  -8.565   0.343
  119    HB3  ALA  19           HB3      ALA  19   1.052 -10.207   0.064
  120    H    ALA  20           HN       ALA  20   1.823  -6.723   1.835
  121    HA   ALA  20           HA       ALA  20   3.202  -4.938   2.021
  122    HB1  ALA  20           HB1      ALA  20   5.631  -5.624   2.936
  123    HB2  ALA  20           HB2      ALA  20   4.708  -7.039   3.443
  124    HB3  ALA  20           HB3      ALA  20   4.218  -5.430   3.975
  125    H    GLY  21           HN       GLY  21   5.649  -7.392   1.218
  126    HA2  GLY  21           HA2      GLY  21   6.576  -5.741  -0.992
  127    HA3  GLY  21           HA1      GLY  21   7.334  -7.209  -0.394
  128    H    GLY  22           HN       GLY  22   4.040  -6.565  -1.543
  129    HA2  GLY  22           HA2      GLY  22   4.442  -8.027  -3.985
  130    HA3  GLY  22           HA1      GLY  22   3.541  -8.940  -2.780
  Start of MODEL   12
    1    H1   GLY   1           HN       GLY   1   3.714  -6.096  -4.348
    2    HA2  GLY   1           HA2      GLY   1   1.664  -5.461  -5.162
    3    HA3  GLY   1           HA1      GLY   1   1.374  -4.706  -3.600
    4    H    HIS   2           HN       HIS   2   0.952  -2.633  -3.733
    5    HA   HIS   2           HA       HIS   2   2.595  -0.877  -5.343
    6    HB2  HIS   2           HB2      HIS   2   0.532  -1.759  -6.728
    7    HB3  HIS   2           HB1      HIS   2  -0.374  -0.626  -5.735
    8    HD1  HIS   2           HD1      HIS   2   0.655   1.972  -5.851
    9    HD2  HIS   2           HD2      HIS   2   1.560  -0.649  -8.966
   10    HE1  HIS   2           HE1      HIS   2   1.406   3.416  -7.762
   11    HE2  HIS   2           HE2      HIS   2   2.011   1.815  -9.608
   12    H    CYS   3           HN       CYS   3   2.300  -1.309  -2.612
   13    HA   CYS   3           HA       CYS   3   0.498   0.600  -1.478
   14    HB2  CYS   3           HB2      CYS   3   2.799  -0.880  -0.199
   15    HB3  CYS   3           HB1      CYS   3   1.503  -0.037   0.649
   16    H    SER   4           HN       SER   4   2.428   1.644  -3.395
   17    HA   SER   4           HA       SER   4   4.314   3.231  -1.912
   18    HB2  SER   4           HB2      SER   4   3.381   3.644  -4.767
   19    HB3  SER   4           HB1      SER   4   4.905   4.167  -4.045
   20    HG   SER   4           HG       SER   4   5.499   1.981  -3.859
   21    H    ASP   5           HN       ASP   5   1.185   3.542  -3.433
   22    HA   ASP   5           HA       ASP   5   0.827   6.321  -2.906
   23    HB2  ASP   5           HB2      ASP   5  -1.564   4.554  -3.144
   24    HB3  ASP   5           HB1      ASP   5  -1.266   6.122  -3.865
   25    HA   PRO   6           HA       PRO   6  -0.100   5.821   1.456
   26    HB2  PRO   6           HB2      PRO   6  -1.435   8.227   1.735
   27    HB3  PRO   6           HB1      PRO   6   0.318   8.043   1.834
   28    HG2  PRO   6           HG2      PRO   6  -1.368   8.956  -0.456
   29    HG3  PRO   6           HG1      PRO   6   0.213   9.551   0.082
   30    HD2  PRO   6           HD2      PRO   6  -0.050   7.925  -2.049
   31    HD3  PRO   6           HD1      PRO   6   1.356   7.834  -0.967
   32    H    ARG   7           HN       ARG   7  -2.300   6.658  -1.061
   33    HA   ARG   7           HA       ARG   7  -4.765   6.310   0.262
   34    HB2  ARG   7           HB2      ARG   7  -4.675   7.547  -1.778
   35    HB3  ARG   7           HB1      ARG   7  -3.923   6.209  -2.632
   36    HG2  ARG   7           HG2      ARG   7  -6.110   4.946  -2.093
   37    HG3  ARG   7           HG1      ARG   7  -6.768   6.558  -1.803
   38    HD2  ARG   7           HD2      ARG   7  -7.128   5.750  -4.120
   39    HD3  ARG   7           HD1      ARG   7  -6.206   7.249  -4.035
   40    HE   ARG   7           HE       ARG   7  -4.481   6.173  -5.059
   41   HH11  ARG   7          HH11      ARG   7  -6.486   3.717  -3.525
   42   HH12  ARG   7          HH12      ARG   7  -5.571   2.404  -4.198
   43   HH21  ARG   7          HH21      ARG   7  -3.243   4.424  -5.877
   44   HH22  ARG   7          HH22      ARG   7  -3.744   2.801  -5.523
   45    H    PHE   8           HN       PHE   8  -2.905   4.123  -1.879
   46    HA   PHE   8           HA       PHE   8  -4.670   1.963  -1.811
   47    HB2  PHE   8           HB2      PHE   8  -2.719   2.223  -3.369
   48    HB3  PHE   8           HB1      PHE   8  -1.664   1.748  -2.042
   49    HD1  PHE   8           HD2      PHE   8  -4.949   0.435  -3.239
   50    HD2  PHE   8           HD1      PHE   8  -0.844  -0.365  -2.453
   51    HE1  PHE   8           HE2      PHE   8  -5.303  -1.929  -3.814
   52    HE2  PHE   8           HE1      PHE   8  -1.193  -2.729  -3.025
   53    HZ   PHE   8           HZ       PHE   8  -3.422  -3.515  -3.709
   54    H    ASN   9           HN       ASN   9  -2.109   2.868   0.419
   55    HA   ASN   9           HA       ASN   9  -2.002   0.506   1.929
   56    HB2  ASN   9           HB2      ASN   9  -1.390   3.383   2.574
   57    HB3  ASN   9           HB1      ASN   9  -1.262   2.131   3.805
   58   HD21  ASN   9          HD21      ASN   9   0.326   3.739   1.346
   59   HD22  ASN   9          HD22      ASN   9   1.679   2.678   1.166
   60    H    TYR  10           HN       TYR  10  -4.190   3.230   2.000
   61    HA   TYR  10           HA       TYR  10  -5.530   2.351   4.401
   62    HB2  TYR  10           HB2      TYR  10  -5.333   4.750   3.886
   63    HB3  TYR  10           HB1      TYR  10  -6.258   4.512   2.408
   64    HD1  TYR  10           HD2      TYR  10  -6.744   3.401   5.948
   65    HD2  TYR  10           HD1      TYR  10  -8.335   5.487   2.600
   66    HE1  TYR  10           HE2      TYR  10  -8.825   3.804   7.195
   67    HE2  TYR  10           HE1      TYR  10 -10.420   5.898   3.838
   68    HH   TYR  10           HH       TYR  10 -11.623   4.583   5.900
   69    H    ASP  11           HN       ASP  11  -6.164   2.426   0.918
   70    HA   ASP  11           HA       ASP  11  -8.784   1.411   0.971
   71    HB2  ASP  11           HB2      ASP  11  -6.663   1.216  -1.174
   72    HB3  ASP  11           HB1      ASP  11  -8.322   0.684  -1.398
   73    H    HIS  12           HN       HIS  12  -5.658  -0.200   0.975
   74    HA   HIS  12           HA       HIS  12  -7.032  -2.717   1.563
   75    HB2  HIS  12           HB2      HIS  12  -5.186  -2.200  -0.735
   76    HB3  HIS  12           HB1      HIS  12  -5.242  -3.801   0.002
   77    HD1  HIS  12           HD1      HIS  12  -7.731  -4.863   0.133
   78    HD2  HIS  12           HD2      HIS  12  -7.127  -1.771  -2.587
   79    HE1  HIS  12           HE1      HIS  12  -9.680  -4.973  -1.467
   80    HE2  HIS  12           HE2      HIS  12  -9.399  -2.956  -2.954
   81    HA   PRO  13           HA       PRO  13  -3.449  -1.912   4.401
   82    HB2  PRO  13           HB2      PRO  13  -4.799  -2.734   6.631
   83    HB3  PRO  13           HB1      PRO  13  -4.788  -1.066   6.052
   84    HG2  PRO  13           HG2      PRO  13  -6.863  -3.189   5.686
   85    HG3  PRO  13           HG1      PRO  13  -7.073  -1.465   6.041
   86    HD2  PRO  13           HD2      PRO  13  -7.410  -2.482   3.562
   87    HD3  PRO  13           HD1      PRO  13  -6.779  -0.845   3.838
   88    H    GLU  14           HN       GLU  14  -5.733  -4.608   4.101
   89    HA   GLU  14           HA       GLU  14  -4.090  -6.505   5.413
   90    HB2  GLU  14           HB2      GLU  14  -5.587  -8.192   4.615
   91    HB3  GLU  14           HB1      GLU  14  -6.535  -6.793   5.078
   92    HG2  GLU  14           HG2      GLU  14  -5.837  -7.621   2.270
   93    HG3  GLU  14           HG1      GLU  14  -7.398  -7.813   3.061
   94    H    ILE  15           HN       ILE  15  -4.384  -5.555   2.012
   95    HA   ILE  15           HA       ILE  15  -2.693  -7.582   0.982
   96    HB   ILE  15           HB       ILE  15  -3.324  -4.831  -0.104
   97   HG12  ILE  15          HG12      ILE  15  -4.337  -7.585  -0.851
   98   HG13  ILE  15          HG11      ILE  15  -5.245  -6.351   0.016
   99   HG21  ILE  15          HG21      ILE  15  -1.992  -5.149  -1.884
  100   HG22  ILE  15          HG22      ILE  15  -2.349  -6.874  -1.972
  101   HG23  ILE  15          HG23      ILE  15  -1.143  -6.280  -0.830
  102   HD11  ILE  15          HD11      ILE  15  -6.051  -6.109  -2.112
  103   HD12  ILE  15          HD12      ILE  15  -4.500  -6.485  -2.862
  104   HD13  ILE  15          HD13      ILE  15  -4.755  -4.912  -2.103
  105    H    CYS  16           HN       CYS  16  -2.087  -4.230   1.958
  106    HA   CYS  16           HA       CYS  16   0.675  -4.245   1.414
  107    HB2  CYS  16           HB2      CYS  16  -0.961  -2.541   3.298
  108    HB3  CYS  16           HB1      CYS  16   0.728  -2.230   2.892
  109    H    GLY  17           HN       GLY  17  -1.157  -4.965   4.359
  110    HA2  GLY  17           HA2      GLY  17   1.099  -5.292   6.045
  111    HA3  GLY  17           HA1      GLY  17  -0.514  -5.920   6.345
  112    H    GLY  18           HN       GLY  18  -0.793  -7.586   4.117
  113    HA2  GLY  18           HA2      GLY  18   0.543  -9.910   5.033
  114    HA3  GLY  18           HA1      GLY  18  -0.413  -9.782   3.566
  115    H    ALA  19           HN       ALA  19   1.050  -7.856   2.184
  116    HA   ALA  19           HA       ALA  19   3.139  -9.468   1.110
  117    HB1  ALA  19           HB1      ALA  19   3.307  -7.902  -0.577
  118    HB2  ALA  19           HB2      ALA  19   2.889  -6.557   0.485
  119    HB3  ALA  19           HB3      ALA  19   1.639  -7.681  -0.048
  120    H    ALA  20           HN       ALA  20   3.056  -6.515   3.038
  121    HA   ALA  20           HA       ALA  20   4.592  -5.402   4.270
  122    HB1  ALA  20           HB1      ALA  20   4.828  -8.101   4.911
  123    HB2  ALA  20           HB2      ALA  20   5.386  -6.725   5.863
  124    HB3  ALA  20           HB3      ALA  20   6.486  -7.521   4.739
  125    H    GLY  21           HN       GLY  21   5.059  -5.662   1.331
  126    HA2  GLY  21           HA2      GLY  21   7.175  -4.081   0.904
  127    HA3  GLY  21           HA1      GLY  21   7.953  -5.643   1.106
  128    H    GLY  22           HN       GLY  22   4.995  -4.557  -0.592
  129    HA2  GLY  22           HA2      GLY  22   6.084  -4.919  -3.168
  130    HA3  GLY  22           HA1      GLY  22   5.234  -6.380  -2.692
  Start of MODEL   13
    1    H1   GLY   1           HN       GLY   1   3.195  -4.314  -3.222
    2    HA2  GLY   1           HA2      GLY   1   1.591  -4.529  -5.598
    3    HA3  GLY   1           HA1      GLY   1   0.640  -4.281  -4.141
    4    H    HIS   2           HN       HIS   2  -0.074  -2.255  -4.865
    5    HA   HIS   2           HA       HIS   2   1.833  -0.170  -5.469
    6    HB2  HIS   2           HB2      HIS   2  -0.517  -0.440  -6.477
    7    HB3  HIS   2           HB1      HIS   2  -1.119   0.203  -4.956
    8    HD1  HIS   2           HD1      HIS   2  -2.019   2.017  -6.871
    9    HD2  HIS   2           HD2      HIS   2   1.992   2.142  -5.790
   10    HE1  HIS   2           HE1      HIS   2  -1.196   4.275  -7.601
   11    HE2  HIS   2           HE2      HIS   2   1.153   4.410  -6.709
   12    H    CYS   3           HN       CYS   3   2.375  -1.196  -2.980
   13    HA   CYS   3           HA       CYS   3   1.159   0.128  -0.814
   14    HB2  CYS   3           HB2      CYS   3   3.991  -0.916  -0.963
   15    HB3  CYS   3           HB1      CYS   3   3.046  -0.636   0.497
   16    H    SER   4           HN       SER   4   3.302   1.265  -3.190
   17    HA   SER   4           HA       SER   4   4.642   3.277  -1.719
   18    HB2  SER   4           HB2      SER   4   4.826   4.265  -4.154
   19    HB3  SER   4           HB1      SER   4   5.696   2.791  -3.726
   20    HG   SER   4           HG       SER   4   4.656   2.308  -5.587
   21    H    ASP   5           HN       ASP   5   1.477   2.987  -3.030
   22    HA   ASP   5           HA       ASP   5   0.940   5.845  -2.981
   23    HB2  ASP   5           HB2      ASP   5  -0.032   4.139  -4.664
   24    HB3  ASP   5           HB1      ASP   5  -1.108   3.668  -3.353
   25    HA   PRO   6           HA       PRO   6  -0.072   5.691   1.368
   26    HB2  PRO   6           HB2      PRO   6  -1.467   8.226   0.711
   27    HB3  PRO   6           HB1      PRO   6  -0.228   7.905   1.929
   28    HG2  PRO   6           HG2      PRO   6   0.357   9.249  -0.299
   29    HG3  PRO   6           HG1      PRO   6   1.508   8.099   0.408
   30    HD2  PRO   6           HD2      PRO   6  -0.292   7.771  -1.959
   31    HD3  PRO   6           HD1      PRO   6   1.376   7.209  -1.723
   32    H    ARG   7           HN       ARG   7  -2.404   6.372  -1.177
   33    HA   ARG   7           HA       ARG   7  -4.731   6.043   0.429
   34    HB2  ARG   7           HB2      ARG   7  -4.367   5.816  -2.561
   35    HB3  ARG   7           HB1      ARG   7  -5.916   5.909  -1.734
   36    HG2  ARG   7           HG2      ARG   7  -5.535   8.126  -1.056
   37    HG3  ARG   7           HG1      ARG   7  -3.827   8.046  -1.487
   38    HD2  ARG   7           HD2      ARG   7  -6.126   7.866  -3.429
   39    HD3  ARG   7           HD1      ARG   7  -5.160   9.310  -3.128
   40    HE   ARG   7           HE       ARG   7  -3.439   7.185  -3.812
   41   HH11  ARG   7          HH11      ARG   7  -5.875   9.240  -5.268
   42   HH12  ARG   7          HH12      ARG   7  -5.185   9.160  -6.852
   43   HH21  ARG   7          HH21      ARG   7  -2.521   7.061  -5.887
   44   HH22  ARG   7          HH22      ARG   7  -3.266   7.920  -7.209
   45    H    PHE   8           HN       PHE   8  -3.064   3.921  -1.876
   46    HA   PHE   8           HA       PHE   8  -4.755   1.737  -1.769
   47    HB2  PHE   8           HB2      PHE   8  -2.815   2.010  -3.325
   48    HB3  PHE   8           HB1      PHE   8  -1.748   1.572  -1.995
   49    HD1  PHE   8           HD1      PHE   8  -4.873   0.259  -3.566
   50    HD2  PHE   8           HD2      PHE   8  -1.019  -0.599  -1.980
   51    HE1  PHE   8           HE1      PHE   8  -5.189  -2.122  -4.098
   52    HE2  PHE   8           HE2      PHE   8  -1.326  -2.981  -2.513
   53    HZ   PHE   8           HZ       PHE   8  -3.412  -3.745  -3.574
   54    H    ASN   9           HN       ASN   9  -2.164   2.610   0.457
   55    HA   ASN   9           HA       ASN   9  -2.127   0.213   1.933
   56    HB2  ASN   9           HB2      ASN   9  -1.375   3.034   2.698
   57    HB3  ASN   9           HB1      ASN   9  -1.153   1.660   3.777
   58   HD21  ASN   9          HD21      ASN   9   0.393   3.583   1.681
   59   HD22  ASN   9          HD22      ASN   9   1.640   2.518   1.134
   60    H    TYR  10           HN       TYR  10  -4.180   3.039   2.103
   61    HA   TYR  10           HA       TYR  10  -5.450   2.178   4.559
   62    HB2  TYR  10           HB2      TYR  10  -5.134   4.578   4.099
   63    HB3  TYR  10           HB1      TYR  10  -6.139   4.436   2.661
   64    HD1  TYR  10           HD1      TYR  10  -6.528   3.246   6.188
   65    HD2  TYR  10           HD2      TYR  10  -8.139   5.527   2.980
   66    HE1  TYR  10           HE1      TYR  10  -8.524   3.726   7.541
   67    HE2  TYR  10           HE2      TYR  10 -10.140   6.015   4.325
   68    HH   TYR  10           HH       TYR  10 -11.342   4.780   6.348
   69    H    ASP  11           HN       ASP  11  -6.225   2.433   1.129
   70    HA   ASP  11           HA       ASP  11  -8.891   1.554   1.234
   71    HB2  ASP  11           HB2      ASP  11  -6.846   1.383  -0.989
   72    HB3  ASP  11           HB1      ASP  11  -8.549   0.994  -1.195
   73    H    HIS  12           HN       HIS  12  -5.855  -0.197   1.004
   74    HA   HIS  12           HA       HIS  12  -7.275  -2.682   1.595
   75    HB2  HIS  12           HB2      HIS  12  -5.565  -2.188  -0.824
   76    HB3  HIS  12           HB1      HIS  12  -5.698  -3.805  -0.137
   77    HD1  HIS  12           HD1      HIS  12  -8.237  -4.734   0.052
   78    HD2  HIS  12           HD2      HIS  12  -7.580  -1.524  -2.524
   79    HE1  HIS  12           HE1      HIS  12 -10.267  -4.623  -1.437
   80    HE2  HIS  12           HE2      HIS  12  -9.935  -2.548  -2.829
   81    HA   PRO  13           HA       PRO  13  -3.403  -2.033   4.092
   82    HB2  PRO  13           HB2      PRO  13  -4.560  -2.712   6.464
   83    HB3  PRO  13           HB1      PRO  13  -4.549  -1.065   5.824
   84    HG2  PRO  13           HG2      PRO  13  -6.722  -3.118   5.734
   85    HG3  PRO  13           HG1      PRO  13  -6.836  -1.379   6.064
   86    HD2  PRO  13           HD2      PRO  13  -7.451  -2.439   3.655
   87    HD3  PRO  13           HD1      PRO  13  -6.745  -0.820   3.829
   88    H    GLU  14           HN       GLU  14  -5.770  -4.599   3.823
   89    HA   GLU  14           HA       GLU  14  -4.280  -6.583   5.192
   90    HB2  GLU  14           HB2      GLU  14  -5.875  -8.147   4.412
   91    HB3  GLU  14           HB1      GLU  14  -6.754  -6.656   4.689
   92    HG2  GLU  14           HG2      GLU  14  -5.772  -7.476   1.972
   93    HG3  GLU  14           HG1      GLU  14  -7.335  -7.971   2.609
   94    H    ILE  15           HN       ILE  15  -4.236  -5.424   1.897
   95    HA   ILE  15           HA       ILE  15  -2.774  -7.639   0.843
   96    HB   ILE  15           HB       ILE  15  -3.144  -4.858  -0.278
   97   HG12  ILE  15          HG12      ILE  15  -4.556  -7.471  -0.874
   98   HG13  ILE  15          HG11      ILE  15  -5.242  -6.107   0.001
   99   HG21  ILE  15          HG21      ILE  15  -1.700  -5.381  -1.881
  100   HG22  ILE  15          HG22      ILE  15  -2.656  -6.806  -2.290
  101   HG23  ILE  15          HG23      ILE  15  -1.373  -6.922  -1.086
  102   HD11  ILE  15          HD11      ILE  15  -6.066  -5.457  -1.953
  103   HD12  ILE  15          HD12      ILE  15  -5.039  -6.578  -2.848
  104   HD13  ILE  15          HD13      ILE  15  -4.419  -4.994  -2.382
  105    H    CYS  16           HN       CYS  16  -1.808  -4.287   1.624
  106    HA   CYS  16           HA       CYS  16   0.958  -4.932   1.201
  107    HB2  CYS  16           HB2      CYS  16  -0.454  -2.445   2.124
  108    HB3  CYS  16           HB1      CYS  16   1.305  -2.567   2.118
  109    H    GLY  17           HN       GLY  17  -1.122  -4.522   4.013
  110    HA2  GLY  17           HA2      GLY  17  -0.816  -5.265   6.171
  111    HA3  GLY  17           HA1      GLY  17   0.686  -6.013   5.656
  112    H    GLY  18           HN       GLY  18   2.261  -4.031   4.895
  113    HA2  GLY  18           HA2      GLY  18   2.296  -1.642   6.309
  114    HA3  GLY  18           HA1      GLY  18   3.074  -2.838   7.338
  115    H    ALA  19           HN       ALA  19   4.259  -4.392   5.315
  116    HA   ALA  19           HA       ALA  19   5.905  -2.685   3.679
  117    HB1  ALA  19           HB1      ALA  19   6.782  -3.297   6.300
  118    HB2  ALA  19           HB2      ALA  19   7.670  -2.480   5.014
  119    HB3  ALA  19           HB3      ALA  19   7.771  -4.234   5.180
  120    H    ALA  20           HN       ALA  20   6.845  -3.788   2.022
  121    HA   ALA  20           HA       ALA  20   7.178  -5.424   0.492
  122    HB1  ALA  20           HB1      ALA  20   8.709  -6.704   1.477
  123    HB2  ALA  20           HB2      ALA  20   7.391  -7.811   1.857
  124    HB3  ALA  20           HB3      ALA  20   7.900  -6.609   3.042
  125    H    GLY  21           HN       GLY  21   4.508  -4.739   0.991
  126    HA2  GLY  21           HA2      GLY  21   2.839  -7.021   1.298
  127    HA3  GLY  21           HA1      GLY  21   2.347  -5.456   0.669
  128    H    GLY  22           HN       GLY  22   4.408  -5.541  -1.440
  129    HA2  GLY  22           HA2      GLY  22   4.807  -6.516  -3.514
  130    HA3  GLY  22           HA1      GLY  22   3.720  -7.824  -3.076
  Start of MODEL   14
    1    H1   GLY   1           HN       GLY   1   1.778  -4.134  -2.717
    2    HA2  GLY   1           HA2      GLY   1   1.792  -4.472  -5.513
    3    HA3  GLY   1           HA1      GLY   1   0.166  -4.046  -5.004
    4    H    HIS   2           HN       HIS   2  -0.244  -1.993  -5.255
    5    HA   HIS   2           HA       HIS   2   1.786  -0.007  -5.588
    6    HB2  HIS   2           HB2      HIS   2  -0.536  -0.125  -6.690
    7    HB3  HIS   2           HB1      HIS   2  -1.157   0.514  -5.176
    8    HD1  HIS   2           HD1      HIS   2  -1.908   2.450  -6.999
    9    HD2  HIS   2           HD2      HIS   2   2.101   2.272  -5.917
   10    HE1  HIS   2           HE1      HIS   2  -0.936   4.670  -7.655
   11    HE2  HIS   2           HE2      HIS   2   1.422   4.615  -6.773
   12    H    CYS   3           HN       CYS   3   2.166  -1.102  -3.080
   13    HA   CYS   3           HA       CYS   3   0.901   0.309  -0.982
   14    HB2  CYS   3           HB2      CYS   3   3.570  -1.109  -1.005
   15    HB3  CYS   3           HB1      CYS   3   2.674  -0.624   0.435
   16    H    SER   4           HN       SER   4   3.177   1.334  -3.231
   17    HA   SER   4           HA       SER   4   4.656   3.166  -1.643
   18    HB2  SER   4           HB2      SER   4   4.953   4.232  -4.045
   19    HB3  SER   4           HB1      SER   4   5.730   2.700  -3.643
   20    HG   SER   4           HG       SER   4   4.714   2.298  -5.523
   21    H    ASP   5           HN       ASP   5   1.533   3.116  -3.029
   22    HA   ASP   5           HA       ASP   5   1.124   5.995  -2.806
   23    HB2  ASP   5           HB2      ASP   5   0.251   4.687  -4.757
   24    HB3  ASP   5           HB1      ASP   5  -0.797   3.811  -3.654
   25    HA   PRO   6           HA       PRO   6  -0.122   5.471   1.455
   26    HB2  PRO   6           HB2      PRO   6  -1.418   7.929   1.579
   27    HB3  PRO   6           HB1      PRO   6   0.296   7.655   1.903
   28    HG2  PRO   6           HG2      PRO   6  -1.031   8.639  -0.583
   29    HG3  PRO   6           HG1      PRO   6   0.503   9.145   0.148
   30    HD2  PRO   6           HD2      PRO   6   0.445   7.539  -1.993
   31    HD3  PRO   6           HD1      PRO   6   1.655   7.321  -0.711
   32    H    ARG   7           HN       ARG   7  -2.294   6.396  -1.149
   33    HA   ARG   7           HA       ARG   7  -4.714   6.059   0.294
   34    HB2  ARG   7           HB2      ARG   7  -4.153   5.927  -2.671
   35    HB3  ARG   7           HB1      ARG   7  -5.760   5.984  -1.958
   36    HG2  ARG   7           HG2      ARG   7  -5.386   8.165  -1.097
   37    HG3  ARG   7           HG1      ARG   7  -3.676   8.105  -1.527
   38    HD2  ARG   7           HD2      ARG   7  -5.981   8.060  -3.469
   39    HD3  ARG   7           HD1      ARG   7  -4.972   9.460  -3.106
   40    HE   ARG   7           HE       ARG   7  -3.343   7.296  -3.915
   41   HH11  ARG   7          HH11      ARG   7  -5.605   9.639  -5.209
   42   HH12  ARG   7          HH12      ARG   7  -4.941   9.590  -6.806
   43   HH21  ARG   7          HH21      ARG   7  -2.481   7.198  -5.995
   44   HH22  ARG   7          HH22      ARG   7  -3.144   8.197  -7.260
   45    H    PHE   8           HN       PHE   8  -2.943   3.935  -1.928
   46    HA   PHE   8           HA       PHE   8  -4.699   1.766  -1.890
   47    HB2  PHE   8           HB2      PHE   8  -2.707   2.095  -3.417
   48    HB3  PHE   8           HB1      PHE   8  -1.697   1.533  -2.090
   49    HD1  PHE   8           HD1      PHE   8  -4.833   0.452  -3.810
   50    HD2  PHE   8           HD2      PHE   8  -1.060  -0.664  -2.192
   51    HE1  PHE   8           HE1      PHE   8  -5.223  -1.872  -4.510
   52    HE2  PHE   8           HE2      PHE   8  -1.442  -2.988  -2.893
   53    HZ   PHE   8           HZ       PHE   8  -3.525  -3.596  -4.055
   54    H    ASN   9           HN       ASN   9  -2.199   2.711   0.381
   55    HA   ASN   9           HA       ASN   9  -2.087   0.310   1.861
   56    HB2  ASN   9           HB2      ASN   9  -1.452   3.169   2.588
   57    HB3  ASN   9           HB1      ASN   9  -1.261   1.847   3.735
   58   HD21  ASN   9          HD21      ASN   9   0.299   3.690   1.517
   59   HD22  ASN   9          HD22      ASN   9   1.618   2.640   1.134
   60    H    TYR  10           HN       TYR  10  -4.165   3.132   2.035
   61    HA   TYR  10           HA       TYR  10  -5.520   2.257   4.423
   62    HB2  TYR  10           HB2      TYR  10  -5.312   4.646   3.934
   63    HB3  TYR  10           HB1      TYR  10  -6.189   4.432   2.423
   64    HD1  TYR  10           HD1      TYR  10  -6.809   3.334   5.949
   65    HD2  TYR  10           HD2      TYR  10  -8.265   5.410   2.532
   66    HE1  TYR  10           HE1      TYR  10  -8.931   3.759   7.118
   67    HE2  TYR  10           HE2      TYR  10 -10.389   5.842   3.692
   68    HH   TYR  10           HH       TYR  10 -11.697   4.659   5.635
   69    H    ASP  11           HN       ASP  11  -6.208   2.410   0.965
   70    HA   ASP  11           HA       ASP  11  -8.819   1.380   1.013
   71    HB2  ASP  11           HB2      ASP  11  -6.702   1.282  -1.147
   72    HB3  ASP  11           HB1      ASP  11  -8.373   0.790  -1.392
   73    H    HIS  12           HN       HIS  12  -5.689  -0.172   1.049
   74    HA   HIS  12           HA       HIS  12  -7.017  -2.731   1.516
   75    HB2  HIS  12           HB2      HIS  12  -5.163  -2.108  -0.723
   76    HB3  HIS  12           HB1      HIS  12  -5.027  -3.687   0.047
   77    HD1  HIS  12           HD1      HIS  12  -7.469  -4.958   0.272
   78    HD2  HIS  12           HD2      HIS  12  -7.032  -2.047  -2.676
   79    HE1  HIS  12           HE1      HIS  12  -9.326  -5.379  -1.382
   80    HE2  HIS  12           HE2      HIS  12  -9.157  -3.483  -3.035
   81    HA   PRO  13           HA       PRO  13  -3.661  -1.914   4.583
   82    HB2  PRO  13           HB2      PRO  13  -5.114  -2.797   6.710
   83    HB3  PRO  13           HB1      PRO  13  -5.163  -1.130   6.127
   84    HG2  PRO  13           HG2      PRO  13  -7.079  -3.371   5.624
   85    HG3  PRO  13           HG1      PRO  13  -7.417  -1.667   5.980
   86    HD2  PRO  13           HD2      PRO  13  -7.524  -2.680   3.473
   87    HD3  PRO  13           HD1      PRO  13  -7.034  -1.006   3.807
   88    H    GLU  14           HN       GLU  14  -5.734  -4.682   3.916
   89    HA   GLU  14           HA       GLU  14  -4.133  -6.534   5.388
   90    HB2  GLU  14           HB2      GLU  14  -5.501  -8.047   3.499
   91    HB3  GLU  14           HB1      GLU  14  -5.998  -7.727   5.151
   92    HG2  GLU  14           HG2      GLU  14  -7.843  -7.237   3.780
   93    HG3  GLU  14           HG1      GLU  14  -7.182  -5.688   4.293
   94    H    ILE  15           HN       ILE  15  -4.374  -5.719   1.940
   95    HA   ILE  15           HA       ILE  15  -2.543  -7.625   1.006
   96    HB   ILE  15           HB       ILE  15  -3.094  -4.893  -0.163
   97   HG12  ILE  15          HG12      ILE  15  -4.421  -7.572  -0.620
   98   HG13  ILE  15          HG11      ILE  15  -5.160  -6.130   0.066
   99   HG21  ILE  15          HG21      ILE  15  -1.257  -6.938  -0.916
  100   HG22  ILE  15          HG22      ILE  15  -1.580  -5.394  -1.705
  101   HG23  ILE  15          HG23      ILE  15  -2.517  -6.822  -2.146
  102   HD11  ILE  15          HD11      ILE  15  -5.959  -6.005  -2.055
  103   HD12  ILE  15          HD12      ILE  15  -4.540  -6.784  -2.758
  104   HD13  ILE  15          HD13      ILE  15  -4.462  -5.094  -2.257
  105    H    CYS  16           HN       CYS  16  -1.974  -4.163   1.675
  106    HA   CYS  16           HA       CYS  16   0.841  -4.433   1.343
  107    HB2  CYS  16           HB2      CYS  16  -0.879  -2.206   2.414
  108    HB3  CYS  16           HB1      CYS  16   0.878  -2.090   2.313
  109    H    GLY  17           HN       GLY  17  -1.304  -4.581   4.107
  110    HA2  GLY  17           HA2      GLY  17   0.647  -4.300   6.133
  111    HA3  GLY  17           HA1      GLY  17  -0.911  -5.097   6.311
  112    H    GLY  18           HN       GLY  18  -0.541  -7.096   4.344
  113    HA2  GLY  18           HA2      GLY  18   0.882  -9.034   5.879
  114    HA3  GLY  18           HA1      GLY  18   0.152  -9.289   4.300
  115    H    ALA  19           HN       ALA  19   1.722  -6.933   3.293
  116    HA   ALA  19           HA       ALA  19   3.675  -6.423   2.278
  117    HB1  ALA  19           HB1      ALA  19   5.364  -6.512   3.702
  118    HB2  ALA  19           HB2      ALA  19   5.594  -8.212   3.297
  119    HB3  ALA  19           HB3      ALA  19   4.545  -7.761   4.641
  120    H    ALA  20           HN       ALA  20   3.387  -9.923   2.780
  121    HA   ALA  20           HA       ALA  20   4.689 -10.609   0.343
  122    HB1  ALA  20           HB1      ALA  20   4.093 -12.013   2.538
  123    HB2  ALA  20           HB2      ALA  20   4.389 -12.771   0.972
  124    HB3  ALA  20           HB3      ALA  20   2.736 -12.497   1.521
  125    H    GLY  21           HN       GLY  21   3.913 -10.333  -1.630
  126    HA2  GLY  21           HA2      GLY  21   2.446 -10.355  -3.408
  127    HA3  GLY  21           HA1      GLY  21   1.239 -11.061  -2.342
  128    H    GLY  22           HN       GLY  22   2.962  -8.004  -1.940
  129    HA2  GLY  22           HA2      GLY  22   0.498  -6.608  -1.455
  130    HA3  GLY  22           HA1      GLY  22   2.111  -5.913  -1.448
  Start of MODEL   15
    1    H1   GLY   1           HN       GLY   1   3.546  -6.048  -4.720
    2    HA2  GLY   1           HA2      GLY   1   0.942  -5.626  -4.875
    3    HA3  GLY   1           HA1      GLY   1   1.262  -4.941  -3.286
    4    H    HIS   2           HN       HIS   2   0.976  -2.820  -3.639
    5    HA   HIS   2           HA       HIS   2   3.011  -1.405  -5.087
    6    HB2  HIS   2           HB2      HIS   2   1.122  -2.103  -6.778
    7    HB3  HIS   2           HB1      HIS   2   0.214  -0.811  -6.010
    8    HD1  HIS   2           HD1      HIS   2   0.499  -0.054  -8.710
    9    HD2  HIS   2           HD2      HIS   2   3.739   0.411  -6.146
   10    HE1  HIS   2           HE1      HIS   2   2.008   1.622  -9.826
   11    HE2  HIS   2           HE2      HIS   2   4.000   1.825  -8.295
   12    H    CYS   3           HN       CYS   3   2.261  -1.541  -2.433
   13    HA   CYS   3           HA       CYS   3   0.506   0.558  -1.666
   14    HB2  CYS   3           HB2      CYS   3   2.614  -0.838  -0.016
   15    HB3  CYS   3           HB1      CYS   3   1.215   0.047   0.588
   16    H    SER   4           HN       SER   4   2.254   1.690  -3.433
   17    HA   SER   4           HA       SER   4   4.303   3.135  -1.982
   18    HB2  SER   4           HB2      SER   4   3.351   3.634  -4.810
   19    HB3  SER   4           HB1      SER   4   4.919   4.038  -4.108
   20    HG   SER   4           HG       SER   4   5.384   1.830  -3.985
   21    H    ASP   5           HN       ASP   5   1.146   3.652  -3.405
   22    HA   ASP   5           HA       ASP   5   1.055   6.457  -2.751
   23    HB2  ASP   5           HB2      ASP   5  -0.099   5.448  -4.746
   24    HB3  ASP   5           HB1      ASP   5  -1.204   4.646  -3.634
   25    HA   PRO   6           HA       PRO   6  -0.302   6.010   1.446
   26    HB2  PRO   6           HB2      PRO   6  -1.829   8.500   0.923
   27    HB3  PRO   6           HB1      PRO   6  -0.620   8.159   2.165
   28    HG2  PRO   6           HG2      PRO   6  -0.027   9.699   0.073
   29    HG3  PRO   6           HG1      PRO   6   1.158   8.553   0.730
   30    HD2  PRO   6           HD2      PRO   6  -0.550   8.322  -1.717
   31    HD3  PRO   6           HD1      PRO   6   1.141   7.840  -1.473
   32    H    ARG   7           HN       ARG   7  -2.642   6.724  -1.109
   33    HA   ARG   7           HA       ARG   7  -4.969   6.185   0.423
   34    HB2  ARG   7           HB2      ARG   7  -4.465   6.175  -2.550
   35    HB3  ARG   7           HB1      ARG   7  -6.054   5.920  -1.842
   36    HG2  ARG   7           HG2      ARG   7  -6.161   8.091  -1.009
   37    HG3  ARG   7           HG1      ARG   7  -4.428   8.349  -1.199
   38    HD2  ARG   7           HD2      ARG   7  -6.347   7.944  -3.488
   39    HD3  ARG   7           HD1      ARG   7  -5.830   9.522  -2.896
   40    HE   ARG   7           HE       ARG   7  -3.565   7.920  -3.471
   41   HH11  ARG   7          HH11      ARG   7  -6.143   9.639  -5.113
   42   HH12  ARG   7          HH12      ARG   7  -5.192   9.984  -6.517
   43   HH21  ARG   7          HH21      ARG   7  -2.297   8.385  -5.288
   44   HH22  ARG   7          HH22      ARG   7  -2.993   9.264  -6.623
   45    H    PHE   8           HN       PHE   8  -3.182   4.203  -1.917
   46    HA   PHE   8           HA       PHE   8  -4.746   1.910  -1.813
   47    HB2  PHE   8           HB2      PHE   8  -2.838   2.383  -3.403
   48    HB3  PHE   8           HB1      PHE   8  -1.737   1.909  -2.115
   49    HD1  PHE   8           HD2      PHE   8  -4.993   0.364  -2.995
   50    HD2  PHE   8           HD1      PHE   8  -0.754  -0.030  -2.992
   51    HE1  PHE   8           HE2      PHE   8  -5.212  -1.987  -3.686
   52    HE2  PHE   8           HE1      PHE   8  -0.969  -2.379  -3.680
   53    HZ   PHE   8           HZ       PHE   8  -3.198  -3.361  -4.030
   54    H    ASN   9           HN       ASN   9  -2.209   2.982   0.350
   55    HA   ASN   9           HA       ASN   9  -1.945   0.600   1.853
   56    HB2  ASN   9           HB2      ASN   9  -1.264   3.482   2.346
   57    HB3  ASN   9           HB1      ASN   9  -1.129   2.313   3.655
   58   HD21  ASN   9          HD21      ASN   9   0.413   3.709   1.034
   59   HD22  ASN   9          HD22      ASN   9   1.747   2.614   0.909
   60    H    TYR  10           HN       TYR  10  -4.222   3.216   1.915
   61    HA   TYR  10           HA       TYR  10  -5.312   2.439   4.487
   62    HB2  TYR  10           HB2      TYR  10  -5.092   4.823   3.895
   63    HB3  TYR  10           HB1      TYR  10  -6.203   4.585   2.552
   64    HD1  TYR  10           HD1      TYR  10  -6.265   3.545   6.145
   65    HD2  TYR  10           HD2      TYR  10  -8.209   5.623   2.985
   66    HE1  TYR  10           HE1      TYR  10  -8.161   4.026   7.637
   67    HE2  TYR  10           HE2      TYR  10 -10.110   6.111   4.466
   68    HH   TYR  10           HH       TYR  10 -10.803   4.561   7.140
   69    H    ASP  11           HN       ASP  11  -6.329   2.447   1.067
   70    HA   ASP  11           HA       ASP  11  -8.903   1.372   1.701
   71    HB2  ASP  11           HB2      ASP  11  -9.277   1.195  -0.698
   72    HB3  ASP  11           HB1      ASP  11  -8.618   2.768  -0.282
   73    H    HIS  12           HN       HIS  12  -5.812  -0.041   1.062
   74    HA   HIS  12           HA       HIS  12  -7.037  -2.673   1.426
   75    HB2  HIS  12           HB2      HIS  12  -5.301  -1.864  -0.880
   76    HB3  HIS  12           HB1      HIS  12  -5.286  -3.527  -0.302
   77    HD1  HIS  12           HD1      HIS  12  -7.925  -4.493  -0.028
   78    HD2  HIS  12           HD2      HIS  12  -7.118  -1.535  -2.846
   79    HE1  HIS  12           HE1      HIS  12  -9.840  -4.563  -1.664
   80    HE2  HIS  12           HE2      HIS  12  -9.436  -2.614  -3.207
   81    HA   PRO  13           HA       PRO  13  -3.214  -1.898   4.037
   82    HB2  PRO  13           HB2      PRO  13  -4.401  -2.484   6.416
   83    HB3  PRO  13           HB1      PRO  13  -4.351  -0.857   5.731
   84    HG2  PRO  13           HG2      PRO  13  -6.566  -2.865   5.684
   85    HG3  PRO  13           HG1      PRO  13  -6.645  -1.116   5.965
   86    HD2  PRO  13           HD2      PRO  13  -7.266  -2.235   3.582
   87    HD3  PRO  13           HD1      PRO  13  -6.535  -0.623   3.716
   88    H    GLU  14           HN       GLU  14  -5.672  -4.405   3.873
   89    HA   GLU  14           HA       GLU  14  -4.249  -6.405   5.272
   90    HB2  GLU  14           HB2      GLU  14  -5.841  -7.960   4.442
   91    HB3  GLU  14           HB1      GLU  14  -6.706  -6.459   4.716
   92    HG2  GLU  14           HG2      GLU  14  -5.687  -7.273   2.011
   93    HG3  GLU  14           HG1      GLU  14  -7.271  -7.745   2.617
   94    H    ILE  15           HN       ILE  15  -4.222  -5.379   1.911
   95    HA   ILE  15           HA       ILE  15  -2.674  -7.556   0.934
   96    HB   ILE  15           HB       ILE  15  -2.952  -4.758  -0.188
   97   HG12  ILE  15          HG12      ILE  15  -4.435  -7.319  -0.832
   98   HG13  ILE  15          HG11      ILE  15  -5.104  -5.917  -0.004
   99   HG21  ILE  15          HG21      ILE  15  -2.135  -5.643  -2.268
  100   HG22  ILE  15          HG22      ILE  15  -2.046  -7.269  -1.591
  101   HG23  ILE  15          HG23      ILE  15  -0.964  -6.008  -1.001
  102   HD11  ILE  15          HD11      ILE  15  -4.004  -5.076  -2.491
  103   HD12  ILE  15          HD12      ILE  15  -5.680  -5.029  -1.941
  104   HD13  ILE  15          HD13      ILE  15  -5.060  -6.462  -2.763
  105    H    CYS  16           HN       CYS  16  -1.879  -4.263   1.955
  106    HA   CYS  16           HA       CYS  16   0.897  -4.431   1.523
  107    HB2  CYS  16           HB2      CYS  16  -0.556  -2.689   3.521
  108    HB3  CYS  16           HB1      CYS  16   1.038  -2.398   2.830
  109    H    GLY  17           HN       GLY  17  -1.098  -5.062   4.380
  110    HA2  GLY  17           HA2      GLY  17   1.103  -5.550   6.126
  111    HA3  GLY  17           HA1      GLY  17  -0.575  -5.974   6.426
  112    H    GLY  18           HN       GLY  18  -1.002  -7.664   4.216
  113    HA2  GLY  18           HA2      GLY  18   0.069 -10.088   5.253
  114    HA3  GLY  18           HA1      GLY  18  -0.899  -9.921   3.796
  115    H    ALA  19           HN       ALA  19   0.697  -8.253   2.284
  116    HA   ALA  19           HA       ALA  19   2.333  -8.360   0.715
  117    HB1  ALA  19           HB1      ALA  19   4.627  -8.775   1.559
  118    HB2  ALA  19           HB2      ALA  19   3.933  -9.254   3.108
  119    HB3  ALA  19           HB3      ALA  19   3.725  -7.604   2.522
  120    H    ALA  20           HN       ALA  20   0.648 -10.607   0.815
  121    HA   ALA  20           HA       ALA  20   1.960 -13.083   0.772
  122    HB1  ALA  20           HB1      ALA  20  -0.391 -13.097   0.942
  123    HB2  ALA  20           HB2      ALA  20  -0.022 -13.799  -0.634
  124    HB3  ALA  20           HB3      ALA  20  -0.581 -12.130  -0.520
  125    H    GLY  21           HN       GLY  21   1.567 -10.629  -1.690
  126    HA2  GLY  21           HA2      GLY  21   3.582 -11.957  -3.313
  127    HA3  GLY  21           HA1      GLY  21   2.003 -11.755  -4.063
  128    H    GLY  22           HN       GLY  22   3.815  -9.633  -1.893
  129    HA2  GLY  22           HA2      GLY  22   4.663  -7.516  -2.205
  130    HA3  GLY  22           HA1      GLY  22   4.565  -7.793  -3.939
  Start of MODEL   16
    1    H1   GLY   1           HN       GLY   1   2.844  -4.964  -4.046
    2    HA2  GLY   1           HA2      GLY   1   2.599  -4.722  -6.856
    3    HA3  GLY   1           HA1      GLY   1   1.270  -4.825  -5.712
    4    H    HIS   2           HN       HIS   2   1.552  -2.558  -4.221
    5    HA   HIS   2           HA       HIS   2   2.039  -0.229  -5.778
    6    HB2  HIS   2           HB2      HIS   2  -0.195  -1.324  -6.660
    7    HB3  HIS   2           HB1      HIS   2  -0.887  -0.587  -5.221
    8    HD1  HIS   2           HD1      HIS   2  -0.376   2.132  -5.070
    9    HD2  HIS   2           HD2      HIS   2  -0.153   0.316  -8.803
   10    HE1  HIS   2           HE1      HIS   2  -0.555   4.004  -6.744
   11    HE2  HIS   2           HE2      HIS   2  -0.535   2.868  -8.994
   12    H    CYS   3           HN       CYS   3   2.654  -1.267  -3.172
   13    HA   CYS   3           HA       CYS   3   1.086  -0.030  -1.157
   14    HB2  CYS   3           HB2      CYS   3   3.977  -0.905  -1.016
   15    HB3  CYS   3           HB1      CYS   3   2.923  -0.576   0.355
   16    H    SER   4           HN       SER   4   3.233   1.257  -3.402
   17    HA   SER   4           HA       SER   4   4.429   3.343  -1.928
   18    HB2  SER   4           HB2      SER   4   4.475   4.383  -4.354
   19    HB3  SER   4           HB1      SER   4   5.462   2.971  -3.971
   20    HG   SER   4           HG       SER   4   4.272   2.701  -5.916
   21    H    ASP   5           HN       ASP   5   1.297   2.867  -3.255
   22    HA   ASP   5           HA       ASP   5   0.447   5.606  -3.291
   23    HB2  ASP   5           HB2      ASP   5  -0.537   3.743  -4.675
   24    HB3  ASP   5           HB1      ASP   5  -1.221   3.078  -3.202
   25    HA   PRO   6           HA       PRO   6   0.099   5.705   1.216
   26    HB2  PRO   6           HB2      PRO   6  -1.043   8.215   1.277
   27    HB3  PRO   6           HB1      PRO   6   0.695   7.908   1.224
   28    HG2  PRO   6           HG2      PRO   6  -1.176   8.619  -0.995
   29    HG3  PRO   6           HG1      PRO   6   0.484   9.172  -0.704
   30    HD2  PRO   6           HD2      PRO   6  -0.083   7.291  -2.542
   31    HD3  PRO   6           HD1      PRO   6   1.415   7.246  -1.589
   32    H    ARG   7           HN       ARG   7  -2.429   6.576  -1.053
   33    HA   ARG   7           HA       ARG   7  -4.597   6.343   0.789
   34    HB2  ARG   7           HB2      ARG   7  -4.887   7.742  -1.113
   35    HB3  ARG   7           HB1      ARG   7  -4.386   6.470  -2.213
   36    HG2  ARG   7           HG2      ARG   7  -6.518   5.266  -1.199
   37    HG3  ARG   7           HG1      ARG   7  -7.008   6.942  -0.924
   38    HD2  ARG   7           HD2      ARG   7  -7.780   6.137  -3.105
   39    HD3  ARG   7           HD1      ARG   7  -6.615   7.452  -3.279
   40    HE   ARG   7           HE       ARG   7  -5.129   5.991  -4.252
   41   HH11  ARG   7          HH11      ARG   7  -7.827   4.198  -2.934
   42   HH12  ARG   7          HH12      ARG   7  -7.269   2.655  -3.502
   43   HH21  ARG   7          HH21      ARG   7  -4.355   3.990  -4.996
   44   HH22  ARG   7          HH22      ARG   7  -5.288   2.549  -4.704
   45    H    PHE   8           HN       PHE   8  -3.114   4.242  -1.641
   46    HA   PHE   8           HA       PHE   8  -4.961   2.140  -1.572
   47    HB2  PHE   8           HB2      PHE   8  -3.149   2.368  -3.256
   48    HB3  PHE   8           HB1      PHE   8  -1.982   1.900  -2.024
   49    HD1  PHE   8           HD2      PHE   8  -5.272   0.618  -3.247
   50    HD2  PHE   8           HD1      PHE   8  -1.235  -0.253  -2.218
   51    HE1  PHE   8           HE2      PHE   8  -5.643  -1.750  -3.804
   52    HE2  PHE   8           HE1      PHE   8  -1.600  -2.620  -2.774
   53    HZ   PHE   8           HZ       PHE   8  -3.806  -3.372  -3.567
   54    H    ASN   9           HN       ASN   9  -2.245   2.846   0.552
   55    HA   ASN   9           HA       ASN   9  -2.136   0.382   1.889
   56    HB2  ASN   9           HB2      ASN   9  -1.406   3.176   2.761
   57    HB3  ASN   9           HB1      ASN   9  -1.188   1.781   3.817
   58   HD21  ASN   9          HD21      ASN   9   0.346   3.727   1.699
   59   HD22  ASN   9          HD22      ASN   9   1.593   2.664   1.151
   60    H    TYR  10           HN       TYR  10  -4.190   3.185   2.325
   61    HA   TYR  10           HA       TYR  10  -5.479   2.100   4.681
   62    HB2  TYR  10           HB2      TYR  10  -5.182   4.549   4.389
   63    HB3  TYR  10           HB1      TYR  10  -6.218   4.489   2.967
   64    HD1  TYR  10           HD1      TYR  10  -6.472   3.086   6.426
   65    HD2  TYR  10           HD2      TYR  10  -8.260   5.455   3.381
   66    HE1  TYR  10           HE1      TYR  10  -8.448   3.417   7.854
   67    HE2  TYR  10           HE2      TYR  10 -10.241   5.796   4.799
   68    HH   TYR  10           HH       TYR  10 -11.153   4.053   7.129
   69    H    ASP  11           HN       ASP  11  -6.021   2.456   1.268
   70    HA   ASP  11           HA       ASP  11  -8.704   1.724   1.022
   71    HB2  ASP  11           HB2      ASP  11  -7.380   2.736  -0.773
   72    HB3  ASP  11           HB1      ASP  11  -6.360   1.312  -0.854
   73    H    HIS  12           HN       HIS  12  -5.765  -0.278   0.826
   74    HA   HIS  12           HA       HIS  12  -7.366  -2.593   1.635
   75    HB2  HIS  12           HB2      HIS  12  -5.610  -2.477  -0.819
   76    HB3  HIS  12           HB1      HIS  12  -6.112  -3.992  -0.074
   77    HD1  HIS  12           HD1      HIS  12  -8.822  -4.293   0.099
   78    HD2  HIS  12           HD2      HIS  12  -7.374  -1.491  -2.617
   79    HE1  HIS  12           HE1      HIS  12 -10.750  -3.759  -1.431
   80    HE2  HIS  12           HE2      HIS  12  -9.919  -1.842  -2.837
   81    HA   PRO  13           HA       PRO  13  -3.378  -2.204   4.013
   82    HB2  PRO  13           HB2      PRO  13  -4.534  -2.782   6.416
   83    HB3  PRO  13           HB1      PRO  13  -4.415  -1.143   5.767
   84    HG2  PRO  13           HG2      PRO  13  -6.734  -3.034   5.728
   85    HG3  PRO  13           HG1      PRO  13  -6.715  -1.291   6.056
   86    HD2  PRO  13           HD2      PRO  13  -7.462  -2.299   3.667
   87    HD3  PRO  13           HD1      PRO  13  -6.621  -0.743   3.816
   88    H    GLU  14           HN       GLU  14  -5.693  -4.522   3.301
   89    HA   GLU  14           HA       GLU  14  -4.818  -6.734   4.804
   90    HB2  GLU  14           HB2      GLU  14  -6.041  -8.041   3.041
   91    HB3  GLU  14           HB1      GLU  14  -6.988  -6.755   3.779
   92    HG2  GLU  14           HG2      GLU  14  -6.201  -5.331   1.778
   93    HG3  GLU  14           HG1      GLU  14  -5.794  -6.878   1.040
   94    H    ILE  15           HN       ILE  15  -3.899  -5.475   1.639
   95    HA   ILE  15           HA       ILE  15  -2.137  -7.668   1.061
   96    HB   ILE  15           HB       ILE  15  -2.342  -4.987  -0.315
   97   HG12  ILE  15          HG12      ILE  15  -3.661  -7.620  -1.016
   98   HG13  ILE  15          HG11      ILE  15  -4.483  -6.251  -0.275
   99   HG21  ILE  15          HG21      ILE  15  -1.145  -7.600  -1.231
  100   HG22  ILE  15          HG22      ILE  15  -0.257  -6.138  -0.806
  101   HG23  ILE  15          HG23      ILE  15  -1.313  -6.149  -2.218
  102   HD11  ILE  15          HD11      ILE  15  -4.699  -5.186  -2.223
  103   HD12  ILE  15          HD12      ILE  15  -4.369  -6.763  -2.940
  104   HD13  ILE  15          HD13      ILE  15  -3.064  -5.593  -2.741
  105    H    CYS  16           HN       CYS  16  -1.528  -4.179   1.555
  106    HA   CYS  16           HA       CYS  16   1.284  -4.702   1.956
  107    HB2  CYS  16           HB2      CYS  16  -0.232  -2.095   2.166
  108    HB3  CYS  16           HB1      CYS  16   1.517  -2.278   2.079
  109    H    GLY  17           HN       GLY  17  -0.959  -5.460   3.966
  110    HA2  GLY  17           HA2      GLY  17  -0.157  -3.977   6.325
  111    HA3  GLY  17           HA1      GLY  17  -1.342  -5.271   6.258
  112    H    GLY  18           HN       GLY  18   0.134  -7.330   5.174
  113    HA2  GLY  18           HA2      GLY  18   2.498  -7.614   6.880
  114    HA3  GLY  18           HA1      GLY  18   1.180  -8.754   7.110
  115    H    ALA  19           HN       ALA  19   2.422  -7.350   4.131
  116    HA   ALA  19           HA       ALA  19   3.894  -9.640   3.316
  117    HB1  ALA  19           HB1      ALA  19   2.446 -10.820   2.066
  118    HB2  ALA  19           HB2      ALA  19   1.678  -9.368   1.422
  119    HB3  ALA  19           HB3      ALA  19   1.194  -9.998   2.997
  120    H    ALA  20           HN       ALA  20   1.901  -6.986   2.129
  121    HA   ALA  20           HA       ALA  20   2.305  -5.176   0.848
  122    HB1  ALA  20           HB1      ALA  20   4.719  -5.557   2.177
  123    HB2  ALA  20           HB2      ALA  20   4.188  -4.110   1.320
  124    HB3  ALA  20           HB3      ALA  20   5.159  -5.322   0.485
  125    H    GLY  21           HN       GLY  21   4.780  -7.547  -0.192
  126    HA2  GLY  21           HA2      GLY  21   5.016  -8.635  -2.217
  127    HA3  GLY  21           HA1      GLY  21   3.427  -8.040  -2.675
  128    H    GLY  22           HN       GLY  22   4.133  -5.252  -2.226
  129    HA2  GLY  22           HA2      GLY  22   5.369  -3.513  -3.188
  130    HA3  GLY  22           HA1      GLY  22   6.263  -4.699  -4.131
  Start of MODEL   17
    1    H1   GLY   1           HN       GLY   1   4.294  -4.008  -2.676
    2    HA2  GLY   1           HA2      GLY   1   3.809  -3.876  -5.525
    3    HA3  GLY   1           HA1      GLY   1   2.613  -4.180  -4.274
    4    H    HIS   2           HN       HIS   2   1.062  -2.705  -4.555
    5    HA   HIS   2           HA       HIS   2   1.645  -0.017  -5.437
    6    HB2  HIS   2           HB2      HIS   2  -0.432  -1.409  -6.018
    7    HB3  HIS   2           HB1      HIS   2  -0.998  -1.050  -4.395
    8    HD1  HIS   2           HD1      HIS   2  -3.026   0.076  -5.768
    9    HD2  HIS   2           HD2      HIS   2   0.644   2.010  -5.997
   10    HE1  HIS   2           HE1      HIS   2  -3.534   2.380  -6.626
   11    HE2  HIS   2           HE2      HIS   2  -1.341   3.610  -6.468
   12    H    CYS   3           HN       CYS   3   2.554  -1.168  -2.759
   13    HA   CYS   3           HA       CYS   3   1.207   0.166  -0.670
   14    HB2  CYS   3           HB2      CYS   3   4.099  -0.701  -0.685
   15    HB3  CYS   3           HB1      CYS   3   3.047  -0.500   0.714
   16    H    SER   4           HN       SER   4   3.381   1.314  -3.039
   17    HA   SER   4           HA       SER   4   4.537   3.453  -1.566
   18    HB2  SER   4           HB2      SER   4   5.504   2.558  -3.679
   19    HB3  SER   4           HB1      SER   4   4.129   3.219  -4.562
   20    HG   SER   4           HG       SER   4   4.953   5.254  -3.284
   21    H    ASP   5           HN       ASP   5   1.457   2.902  -2.891
   22    HA   ASP   5           HA       ASP   5   0.742   5.709  -3.155
   23    HB2  ASP   5           HB2      ASP   5  -0.073   3.737  -4.627
   24    HB3  ASP   5           HB1      ASP   5  -1.152   3.376  -3.288
   25    HA   PRO   6           HA       PRO   6  -0.345   5.891   1.197
   26    HB2  PRO   6           HB2      PRO   6  -1.740   8.355   0.318
   27    HB3  PRO   6           HB1      PRO   6  -0.512   8.143   1.571
   28    HG2  PRO   6           HG2      PRO   6   0.082   9.315  -0.754
   29    HG3  PRO   6           HG1      PRO   6   1.240   8.244   0.059
   30    HD2  PRO   6           HD2      PRO   6  -0.529   7.692  -2.292
   31    HD3  PRO   6           HD1      PRO   6   1.149   7.188  -1.999
   32    H    ARG   7           HN       ARG   7  -2.591   6.341  -1.466
   33    HA   ARG   7           HA       ARG   7  -4.975   6.125   0.076
   34    HB2  ARG   7           HB2      ARG   7  -4.507   5.650  -2.871
   35    HB3  ARG   7           HB1      ARG   7  -6.080   5.837  -2.105
   36    HG2  ARG   7           HG2      ARG   7  -5.684   8.097  -1.609
   37    HG3  ARG   7           HG1      ARG   7  -3.962   7.956  -1.959
   38    HD2  ARG   7           HD2      ARG   7  -6.192   7.675  -3.971
   39    HD3  ARG   7           HD1      ARG   7  -5.178   9.104  -3.757
   40    HE   ARG   7           HE       ARG   7  -3.527   6.859  -4.196
   41   HH11  ARG   7          HH11      ARG   7  -5.802   8.906  -5.908
   42   HH12  ARG   7          HH12      ARG   7  -5.064   8.656  -7.453
   43   HH21  ARG   7          HH21      ARG   7  -2.556   6.510  -6.218
   44   HH22  ARG   7          HH22      ARG   7  -3.205   7.292  -7.633
   45    H    PHE   8           HN       PHE   8  -3.109   3.849  -1.873
   46    HA   PHE   8           HA       PHE   8  -4.816   1.642  -1.667
   47    HB2  PHE   8           HB2      PHE   8  -2.861   1.827  -3.218
   48    HB3  PHE   8           HB1      PHE   8  -1.799   1.543  -1.843
   49    HD1  PHE   8           HD1      PHE   8  -4.848  -0.004  -3.351
   50    HD2  PHE   8           HD2      PHE   8  -1.011  -0.594  -1.607
   51    HE1  PHE   8           HE1      PHE   8  -5.077  -2.431  -3.678
   52    HE2  PHE   8           HE2      PHE   8  -1.233  -3.021  -1.933
   53    HZ   PHE   8           HZ       PHE   8  -3.266  -3.942  -2.970
   54    H    ASN   9           HN       ASN   9  -2.272   2.783   0.484
   55    HA   ASN   9           HA       ASN   9  -2.269   0.524   2.196
   56    HB2  ASN   9           HB2      ASN   9  -1.412   3.380   2.679
   57    HB3  ASN   9           HB1      ASN   9  -1.181   2.084   3.848
   58   HD21  ASN   9          HD21      ASN   9   0.358   3.828   1.636
   59   HD22  ASN   9          HD22      ASN   9   1.555   2.702   1.102
   60    H    TYR  10           HN       TYR  10  -4.382   3.197   1.843
   61    HA   TYR  10           HA       TYR  10  -5.531   2.882   4.490
   62    HB2  TYR  10           HB2      TYR  10  -5.223   5.141   3.545
   63    HB3  TYR  10           HB1      TYR  10  -6.318   4.730   2.229
   64    HD1  TYR  10           HD1      TYR  10  -6.462   4.282   5.941
   65    HD2  TYR  10           HD2      TYR  10  -8.316   5.848   2.449
   66    HE1  TYR  10           HE1      TYR  10  -8.372   5.031   7.299
   67    HE2  TYR  10           HE2      TYR  10 -10.231   6.604   3.796
   68    HH   TYR  10           HH       TYR  10 -11.009   5.522   6.649
   69    H    ASP  11           HN       ASP  11  -6.497   2.442   1.087
   70    HA   ASP  11           HA       ASP  11  -9.085   1.460   1.868
   71    HB2  ASP  11           HB2      ASP  11  -9.688   1.550  -0.342
   72    HB3  ASP  11           HB1      ASP  11  -8.401   2.742  -0.312
   73    H    HIS  12           HN       HIS  12  -6.014  -0.010   0.988
   74    HA   HIS  12           HA       HIS  12  -7.188  -2.599   1.721
   75    HB2  HIS  12           HB2      HIS  12  -5.636  -2.059  -0.803
   76    HB3  HIS  12           HB1      HIS  12  -5.786  -3.672  -0.118
   77    HD1  HIS  12           HD1      HIS  12  -8.551  -4.242   0.384
   78    HD2  HIS  12           HD2      HIS  12  -7.472  -1.652  -2.694
   79    HE1  HIS  12           HE1      HIS  12 -10.538  -4.135  -1.151
   80    HE2  HIS  12           HE2      HIS  12  -9.945  -2.359  -2.835
   81    HA   PRO  13           HA       PRO  13  -2.961  -1.719   3.691
   82    HB2  PRO  13           HB2      PRO  13  -3.825  -2.174   6.253
   83    HB3  PRO  13           HB1      PRO  13  -3.772  -0.572   5.510
   84    HG2  PRO  13           HG2      PRO  13  -6.092  -2.427   5.853
   85    HG3  PRO  13           HG1      PRO  13  -6.024  -0.667   6.058
   86    HD2  PRO  13           HD2      PRO  13  -7.057  -1.815   3.848
   87    HD3  PRO  13           HD1      PRO  13  -6.182  -0.272   3.787
   88    H    GLU  14           HN       GLU  14  -5.503  -3.999   3.915
   89    HA   GLU  14           HA       GLU  14  -4.419  -6.153   5.258
   90    HB2  GLU  14           HB2      GLU  14  -6.045  -7.475   3.847
   91    HB3  GLU  14           HB1      GLU  14  -6.738  -6.095   4.693
   92    HG2  GLU  14           HG2      GLU  14  -6.329  -4.797   2.526
   93    HG3  GLU  14           HG1      GLU  14  -6.094  -6.373   1.777
   94    H    ILE  15           HN       ILE  15  -4.192  -5.351   1.805
   95    HA   ILE  15           HA       ILE  15  -2.837  -7.701   1.043
   96    HB   ILE  15           HB       ILE  15  -2.853  -5.003  -0.314
   97   HG12  ILE  15          HG12      ILE  15  -4.573  -7.460  -0.736
   98   HG13  ILE  15          HG11      ILE  15  -5.099  -5.961   0.021
   99   HG21  ILE  15          HG21      ILE  15  -2.573  -7.243  -2.085
  100   HG22  ILE  15          HG22      ILE  15  -1.294  -7.273  -0.871
  101   HG23  ILE  15          HG23      ILE  15  -1.518  -5.845  -1.881
  102   HD11  ILE  15          HD11      ILE  15  -4.761  -4.777  -2.077
  103   HD12  ILE  15          HD12      ILE  15  -5.876  -6.129  -2.274
  104   HD13  ILE  15          HD13      ILE  15  -4.209  -6.270  -2.836
  105    H    CYS  16           HN       CYS  16  -1.536  -4.391   1.457
  106    HA   CYS  16           HA       CYS  16   1.145  -5.180   1.149
  107    HB2  CYS  16           HB2      CYS  16  -0.095  -2.734   2.393
  108    HB3  CYS  16           HB1      CYS  16   1.648  -2.951   2.267
  109    H    GLY  17           HN       GLY  17  -0.905  -4.975   3.996
  110    HA2  GLY  17           HA2      GLY  17   1.197  -5.315   5.889
  111    HA3  GLY  17           HA1      GLY  17  -0.518  -5.543   6.190
  112    H    GLY  18           HN       GLY  18  -1.015  -7.559   4.272
  113    HA2  GLY  18           HA2      GLY  18  -0.112  -9.836   5.757
  114    HA3  GLY  18           HA1      GLY  18  -1.138  -9.860   4.332
  115    H    ALA  19           HN       ALA  19   0.343  -8.838   2.359
  116    HA   ALA  19           HA       ALA  19   3.042  -9.707   2.288
  117    HB1  ALA  19           HB1      ALA  19   1.731 -11.904   2.283
  118    HB2  ALA  19           HB2      ALA  19   2.940 -11.679   1.019
  119    HB3  ALA  19           HB3      ALA  19   1.230 -11.458   0.652
  120    H    ALA  20           HN       ALA  20   3.974  -8.456   0.829
  121    HA   ALA  20           HA       ALA  20   2.920  -8.050  -1.792
  122    HB1  ALA  20           HB1      ALA  20   1.510  -6.456  -0.577
  123    HB2  ALA  20           HB2      ALA  20   2.617  -5.631  -1.674
  124    HB3  ALA  20           HB3      ALA  20   2.953  -5.663   0.056
  125    H    GLY  21           HN       GLY  21   5.089  -6.747   0.694
  126    HA2  GLY  21           HA2      GLY  21   7.386  -6.517   0.661
  127    HA3  GLY  21           HA1      GLY  21   7.401  -7.244  -0.937
  128    H    GLY  22           HN       GLY  22   6.092  -5.629  -2.545
  129    HA2  GLY  22           HA2      GLY  22   6.678  -2.846  -2.078
  130    HA3  GLY  22           HA1      GLY  22   7.775  -3.602  -3.224
  Start of MODEL   18
    1    H1   GLY   1           HN       GLY   1   4.755  -6.380  -4.339
    2    HA2  GLY   1           HA2      GLY   1   2.580  -5.826  -4.818
    3    HA3  GLY   1           HA1      GLY   1   2.593  -4.925  -3.309
    4    H    HIS   2           HN       HIS   2   1.882  -2.944  -3.649
    5    HA   HIS   2           HA       HIS   2   3.225  -1.170  -5.448
    6    HB2  HIS   2           HB2      HIS   2   0.866  -2.518  -6.402
    7    HB3  HIS   2           HB1      HIS   2   0.523  -0.802  -6.223
    8    HD1  HIS   2           HD1      HIS   2   3.483  -2.761  -7.632
    9    HD2  HIS   2           HD2      HIS   2   0.983   0.431  -8.572
   10    HE1  HIS   2           HE1      HIS   2   4.266  -1.921  -9.875
   11    HE2  HIS   2           HE2      HIS   2   2.679  -0.055 -10.466
   12    H    CYS   3           HN       CYS   3   2.579  -1.465  -2.636
   13    HA   CYS   3           HA       CYS   3   0.565   0.490  -2.019
   14    HB2  CYS   3           HB2      CYS   3   2.535  -0.959  -0.250
   15    HB3  CYS   3           HB1      CYS   3   1.219   0.062   0.326
   16    H    SER   4           HN       SER   4   2.427   1.689  -3.626
   17    HA   SER   4           HA       SER   4   4.286   3.198  -2.009
   18    HB2  SER   4           HB2      SER   4   4.774   2.598  -4.391
   19    HB3  SER   4           HB1      SER   4   3.449   3.646  -4.892
   20    HG   SER   4           HG       SER   4   4.832   5.191  -3.410
   21    H    ASP   5           HN       ASP   5   1.134   3.524  -3.426
   22    HA   ASP   5           HA       ASP   5   0.810   6.310  -2.766
   23    HB2  ASP   5           HB2      ASP   5  -0.264   5.335  -4.753
   24    HB3  ASP   5           HB1      ASP   5  -1.156   4.215  -3.736
   25    HA   PRO   6           HA       PRO   6  -0.220   5.479   1.509
   26    HB2  PRO   6           HB2      PRO   6  -1.449   7.933   1.918
   27    HB3  PRO   6           HB1      PRO   6   0.280   7.619   2.092
   28    HG2  PRO   6           HG2      PRO   6  -1.211   8.811  -0.203
   29    HG3  PRO   6           HG1      PRO   6   0.376   9.250   0.456
   30    HD2  PRO   6           HD2      PRO   6   0.144   7.820  -1.799
   31    HD3  PRO   6           HD1      PRO   6   1.449   7.506  -0.635
   32    H    ARG   7           HN       ARG   7  -2.488   6.668  -0.901
   33    HA   ARG   7           HA       ARG   7  -4.861   6.250   0.597
   34    HB2  ARG   7           HB2      ARG   7  -4.453   6.250  -2.400
   35    HB3  ARG   7           HB1      ARG   7  -6.003   6.377  -1.579
   36    HG2  ARG   7           HG2      ARG   7  -5.405   8.498  -0.648
   37    HG3  ARG   7           HG1      ARG   7  -3.760   8.356  -1.268
   38    HD2  ARG   7           HD2      ARG   7  -6.280   8.568  -2.912
   39    HD3  ARG   7           HD1      ARG   7  -5.077   9.836  -2.676
   40    HE   ARG   7           HE       ARG   7  -3.789   7.560  -3.703
   41   HH11  ARG   7          HH11      ARG   7  -6.060  10.031  -4.724
   42   HH12  ARG   7          HH12      ARG   7  -5.637   9.901  -6.396
   43   HH21  ARG   7          HH21      ARG   7  -3.244   7.367  -5.862
   44   HH22  ARG   7          HH22      ARG   7  -4.014   8.373  -7.056
   45    H    PHE   8           HN       PHE   8  -3.087   4.252  -1.721
   46    HA   PHE   8           HA       PHE   8  -4.870   2.073  -1.770
   47    HB2  PHE   8           HB2      PHE   8  -3.045   2.427  -3.423
   48    HB3  PHE   8           HB1      PHE   8  -1.869   2.020  -2.179
   49    HD1  PHE   8           HD2      PHE   8  -5.129   0.390  -2.936
   50    HD2  PHE   8           HD1      PHE   8  -0.886   0.056  -2.946
   51    HE1  PHE   8           HE2      PHE   8  -5.318  -1.985  -3.541
   52    HE2  PHE   8           HE1      PHE   8  -1.072  -2.318  -3.551
   53    HZ   PHE   8           HZ       PHE   8  -3.289  -3.342  -3.849
   54    H    ASN   9           HN       ASN   9  -2.206   2.906   0.357
   55    HA   ASN   9           HA       ASN   9  -1.986   0.486   1.764
   56    HB2  ASN   9           HB2      ASN   9  -1.320   3.339   2.425
   57    HB3  ASN   9           HB1      ASN   9  -1.169   2.091   3.656
   58   HD21  ASN   9          HD21      ASN   9   0.333   3.645   1.091
   59   HD22  ASN   9          HD22      ASN   9   1.675   2.574   0.894
   60    H    TYR  10           HN       TYR  10  -4.074   3.282   2.220
   61    HA   TYR  10           HA       TYR  10  -5.258   2.277   4.636
   62    HB2  TYR  10           HB2      TYR  10  -5.087   4.695   4.188
   63    HB3  TYR  10           HB1      TYR  10  -6.148   4.511   2.796
   64    HD1  TYR  10           HD2      TYR  10  -6.315   3.270   6.322
   65    HD2  TYR  10           HD1      TYR  10  -8.186   5.494   3.216
   66    HE1  TYR  10           HE2      TYR  10  -8.269   3.636   7.771
   67    HE2  TYR  10           HE1      TYR  10 -10.144   5.869   4.655
   68    HH   TYR  10           HH       TYR  10 -10.922   4.167   7.181
   69    H    ASP  11           HN       ASP  11  -6.155   2.468   1.232
   70    HA   ASP  11           HA       ASP  11  -8.777   1.473   1.447
   71    HB2  ASP  11           HB2      ASP  11  -8.037   2.630  -0.547
   72    HB3  ASP  11           HB1      ASP  11  -6.812   1.405  -0.852
   73    H    HIS  12           HN       HIS  12  -5.675  -0.160   0.974
   74    HA   HIS  12           HA       HIS  12  -7.045  -2.684   1.582
   75    HB2  HIS  12           HB2      HIS  12  -5.151  -2.108  -0.663
   76    HB3  HIS  12           HB1      HIS  12  -5.234  -3.730   0.026
   77    HD1  HIS  12           HD1      HIS  12  -7.827  -4.712   0.125
   78    HD2  HIS  12           HD2      HIS  12  -6.968  -1.689  -2.604
   79    HE1  HIS  12           HE1      HIS  12  -9.725  -4.721  -1.527
   80    HE2  HIS  12           HE2      HIS  12  -9.315  -2.691  -2.962
   81    HA   PRO  13           HA       PRO  13  -3.567  -2.061   4.552
   82    HB2  PRO  13           HB2      PRO  13  -4.970  -2.916   6.716
   83    HB3  PRO  13           HB1      PRO  13  -4.999  -1.242   6.152
   84    HG2  PRO  13           HG2      PRO  13  -6.988  -3.429   5.699
   85    HG3  PRO  13           HG1      PRO  13  -7.270  -1.722   6.084
   86    HD2  PRO  13           HD2      PRO  13  -7.488  -2.715   3.570
   87    HD3  PRO  13           HD1      PRO  13  -6.971  -1.051   3.903
   88    H    GLU  14           HN       GLU  14  -5.694  -4.677   3.719
   89    HA   GLU  14           HA       GLU  14  -4.297  -6.721   5.141
   90    HB2  GLU  14           HB2      GLU  14  -5.626  -7.910   2.953
   91    HB3  GLU  14           HB1      GLU  14  -6.142  -7.868   4.628
   92    HG2  GLU  14           HG2      GLU  14  -7.965  -7.055   3.442
   93    HG3  GLU  14           HG1      GLU  14  -7.189  -5.607   4.070
   94    H    ILE  15           HN       ILE  15  -4.347  -5.654   1.762
   95    HA   ILE  15           HA       ILE  15  -2.399  -7.511   0.855
   96    HB   ILE  15           HB       ILE  15  -3.042  -4.813  -0.349
   97   HG12  ILE  15          HG12      ILE  15  -4.354  -7.504  -0.822
   98   HG13  ILE  15          HG11      ILE  15  -5.093  -6.114  -0.039
   99   HG21  ILE  15          HG21      ILE  15  -0.985  -6.016  -1.141
  100   HG22  ILE  15          HG22      ILE  15  -2.183  -5.680  -2.391
  101   HG23  ILE  15          HG23      ILE  15  -2.043  -7.304  -1.716
  102   HD11  ILE  15          HD11      ILE  15  -4.306  -6.386  -2.925
  103   HD12  ILE  15          HD12      ILE  15  -4.789  -4.859  -2.185
  104   HD13  ILE  15          HD13      ILE  15  -5.926  -6.206  -2.251
  105    H    CYS  16           HN       CYS  16  -2.210  -4.095   1.790
  106    HA   CYS  16           HA       CYS  16   0.576  -3.854   1.384
  107    HB2  CYS  16           HB2      CYS  16  -1.326  -2.217   3.065
  108    HB3  CYS  16           HB1      CYS  16   0.343  -1.762   2.723
  109    H    GLY  17           HN       GLY  17  -1.363  -4.777   4.172
  110    HA2  GLY  17           HA2      GLY  17   0.908  -4.837   5.960
  111    HA3  GLY  17           HA1      GLY  17  -0.724  -5.386   6.318
  112    H    GLY  18           HN       GLY  18   1.478  -6.342   3.726
  113    HA2  GLY  18           HA2      GLY  18   2.223  -8.825   4.894
  114    HA3  GLY  18           HA1      GLY  18   0.902  -9.045   3.752
  115    H    ALA  19           HN       ALA  19   1.511  -7.202   1.815
  116    HA   ALA  19           HA       ALA  19   3.671  -8.528   0.446
  117    HB1  ALA  19           HB1      ALA  19   3.052  -6.637  -1.288
  118    HB2  ALA  19           HB2      ALA  19   1.610  -6.508  -0.279
  119    HB3  ALA  19           HB3      ALA  19   2.012  -8.042  -1.051
  120    H    ALA  20           HN       ALA  20   4.892  -7.536   2.537
  121    HA   ALA  20           HA       ALA  20   5.838  -4.872   2.322
  122    HB1  ALA  20           HB1      ALA  20   6.983  -5.296   4.231
  123    HB2  ALA  20           HB2      ALA  20   7.531  -6.879   3.681
  124    HB3  ALA  20           HB3      ALA  20   5.889  -6.679   4.294
  125    H    GLY  21           HN       GLY  21   7.457  -4.028   1.178
  126    HA2  GLY  21           HA2      GLY  21   9.329  -3.866  -0.155
  127    HA3  GLY  21           HA1      GLY  21   9.696  -5.537   0.246
  128    H    GLY  22           HN       GLY  22   6.671  -4.483  -1.166
  129    HA2  GLY  22           HA2      GLY  22   7.342  -4.942  -3.869
  130    HA3  GLY  22           HA1      GLY  22   6.645  -6.402  -3.177
  Start of MODEL   19
    1    H1   GLY   1           HN       GLY   1   3.937  -5.080  -3.915
    2    HA2  GLY   1           HA2      GLY   1   1.335  -4.756  -4.981
    3    HA3  GLY   1           HA1      GLY   1   1.288  -4.586  -3.230
    4    H    HIS   2           HN       HIS   2   0.714  -2.574  -5.196
    5    HA   HIS   2           HA       HIS   2   2.924  -0.741  -5.330
    6    HB2  HIS   2           HB2      HIS   2   0.985  -0.925  -6.986
    7    HB3  HIS   2           HB1      HIS   2   0.001  -0.113  -5.782
    8    HD1  HIS   2           HD1      HIS   2  -0.056   1.493  -8.103
    9    HD2  HIS   2           HD2      HIS   2   3.271   1.658  -5.626
   10    HE1  HIS   2           HE1      HIS   2   1.094   3.644  -8.671
   11    HE2  HIS   2           HE2      HIS   2   2.866   3.866  -6.905
   12    H    CYS   3           HN       CYS   3   2.731  -1.402  -2.726
   13    HA   CYS   3           HA       CYS   3   1.034   0.328  -1.223
   14    HB2  CYS   3           HB2      CYS   3   3.388  -1.378  -0.422
   15    HB3  CYS   3           HB1      CYS   3   2.400  -0.472   0.722
   16    H    SER   4           HN       SER   4   2.167   1.977  -2.895
   17    HA   SER   4           HA       SER   4   4.109   3.513  -1.299
   18    HB2  SER   4           HB2      SER   4   3.683   3.778  -4.283
   19    HB3  SER   4           HB1      SER   4   5.030   4.390  -3.321
   20    HG   SER   4           HG       SER   4   5.271   1.970  -2.841
   21    H    ASP   5           HN       ASP   5   1.274   3.469  -3.320
   22    HA   ASP   5           HA       ASP   5   0.598   6.213  -3.154
   23    HB2  ASP   5           HB2      ASP   5  -1.268   3.875  -3.628
   24    HB3  ASP   5           HB1      ASP   5  -1.538   5.550  -4.086
   25    HA   PRO   6           HA       PRO   6  -0.858   6.409   1.026
   26    HB2  PRO   6           HB2      PRO   6  -2.808   8.350   0.593
   27    HB3  PRO   6           HB1      PRO   6  -1.107   8.666   0.944
   28    HG2  PRO   6           HG2      PRO   6  -2.531   8.639  -1.678
   29    HG3  PRO   6           HG1      PRO   6  -1.231   9.705  -1.116
   30    HD2  PRO   6           HD2      PRO   6  -0.756   7.694  -2.826
   31    HD3  PRO   6           HD1      PRO   6   0.419   8.138  -1.569
   32    H    ARG   7           HN       ARG   7  -3.238   6.338  -1.606
   33    HA   ARG   7           HA       ARG   7  -5.370   5.381   0.023
   34    HB2  ARG   7           HB2      ARG   7  -5.036   5.323  -2.978
   35    HB3  ARG   7           HB1      ARG   7  -6.525   4.950  -2.122
   36    HG2  ARG   7           HG2      ARG   7  -5.096   7.596  -2.190
   37    HG3  ARG   7           HG1      ARG   7  -6.623   7.187  -2.967
   38    HD2  ARG   7           HD2      ARG   7  -6.093   7.265   0.002
   39    HD3  ARG   7           HD1      ARG   7  -7.007   8.455  -0.921
   40    HE   ARG   7           HE       ARG   7  -7.925   5.897   0.040
   41   HH11  ARG   7          HH11      ARG   7  -8.435   8.383  -2.395
   42   HH12  ARG   7          HH12      ARG   7 -10.072   7.921  -2.703
   43   HH21  ARG   7          HH21      ARG   7 -10.068   5.289  -0.353
   44   HH22  ARG   7          HH22      ARG   7 -11.009   6.157  -1.537
   45    H    PHE   8           HN       PHE   8  -3.035   3.803  -2.126
   46    HA   PHE   8           HA       PHE   8  -4.204   1.227  -1.974
   47    HB2  PHE   8           HB2      PHE   8  -2.294   2.133  -3.543
   48    HB3  PHE   8           HB1      PHE   8  -1.236   1.539  -2.265
   49    HD1  PHE   8           HD1      PHE   8  -4.133   0.431  -4.327
   50    HD2  PHE   8           HD2      PHE   8  -0.522  -0.655  -2.361
   51    HE1  PHE   8           HE1      PHE   8  -4.339  -1.851  -5.221
   52    HE2  PHE   8           HE2      PHE   8  -0.719  -2.938  -3.253
   53    HZ   PHE   8           HZ       PHE   8  -2.628  -3.539  -4.686
   54    H    ASN   9           HN       ASN   9  -1.967   2.955   0.112
   55    HA   ASN   9           HA       ASN   9  -1.349   0.668   1.732
   56    HB2  ASN   9           HB2      ASN   9  -0.830   3.612   1.951
   57    HB3  ASN   9           HB1      ASN   9  -0.580   2.578   3.352
   58   HD21  ASN   9          HD21      ASN   9   0.919   3.963   0.805
   59   HD22  ASN   9          HD22      ASN   9   2.259   2.883   0.638
   60    H    TYR  10           HN       TYR  10  -3.458   3.497   2.104
   61    HA   TYR  10           HA       TYR  10  -4.419   2.732   4.670
   62    HB2  TYR  10           HB2      TYR  10  -4.351   5.065   3.953
   63    HB3  TYR  10           HB1      TYR  10  -5.505   4.722   2.672
   64    HD1  TYR  10           HD1      TYR  10  -5.412   3.892   6.324
   65    HD2  TYR  10           HD2      TYR  10  -7.518   5.734   3.118
   66    HE1  TYR  10           HE1      TYR  10  -7.268   4.414   7.850
   67    HE2  TYR  10           HE2      TYR  10  -9.378   6.263   4.635
   68    HH   TYR  10           HH       TYR  10 -10.311   5.526   6.727
   69    H    ASP  11           HN       ASP  11  -6.128   2.913   1.539
   70    HA   ASP  11           HA       ASP  11  -8.424   1.551   2.544
   71    HB2  ASP  11           HB2      ASP  11  -7.685   2.053  -0.343
   72    HB3  ASP  11           HB1      ASP  11  -9.286   1.693   0.286
   73    H    HIS  12           HN       HIS  12  -5.569   0.165   2.150
   74    HA   HIS  12           HA       HIS  12  -6.771  -2.392   1.407
   75    HB2  HIS  12           HB2      HIS  12  -4.159  -1.539   0.140
   76    HB3  HIS  12           HB1      HIS  12  -5.074  -3.002  -0.180
   77    HD1  HIS  12           HD1      HIS  12  -5.670   0.756  -0.524
   78    HD2  HIS  12           HD2      HIS  12  -6.463  -2.819  -2.463
   79    HE1  HIS  12           HE1      HIS  12  -6.887   1.389  -2.629
   80    HE2  HIS  12           HE2      HIS  12  -7.558  -0.810  -3.658
   81    HA   PRO  13           HA       PRO  13  -3.803  -2.382   5.054
   82    HB2  PRO  13           HB2      PRO  13  -5.532  -3.664   6.745
   83    HB3  PRO  13           HB1      PRO  13  -5.401  -1.907   6.616
   84    HG2  PRO  13           HG2      PRO  13  -7.398  -3.757   5.378
   85    HG3  PRO  13           HG1      PRO  13  -7.652  -2.165   6.118
   86    HD2  PRO  13           HD2      PRO  13  -7.557  -2.507   3.446
   87    HD3  PRO  13           HD1      PRO  13  -6.949  -1.036   4.231
   88    H    GLU  14           HN       GLU  14  -5.979  -4.811   3.710
   89    HA   GLU  14           HA       GLU  14  -4.575  -7.045   4.772
   90    HB2  GLU  14           HB2      GLU  14  -5.972  -8.411   3.352
   91    HB3  GLU  14           HB1      GLU  14  -6.945  -7.154   4.094
   92    HG2  GLU  14           HG2      GLU  14  -5.959  -7.227   1.250
   93    HG3  GLU  14           HG1      GLU  14  -7.613  -7.477   1.804
   94    H    ILE  15           HN       ILE  15  -4.444  -5.374   1.638
   95    HA   ILE  15           HA       ILE  15  -2.664  -7.221   0.427
   96    HB   ILE  15           HB       ILE  15  -3.143  -4.307  -0.223
   97   HG12  ILE  15          HG12      ILE  15  -4.232  -6.843  -1.464
   98   HG13  ILE  15          HG11      ILE  15  -5.134  -5.738  -0.436
   99   HG21  ILE  15          HG21      ILE  15  -2.027  -4.648  -2.292
  100   HG22  ILE  15          HG22      ILE  15  -1.888  -6.383  -2.008
  101   HG23  ILE  15          HG23      ILE  15  -0.951  -5.253  -1.031
  102   HD11  ILE  15          HD11      ILE  15  -4.694  -5.647  -3.262
  103   HD12  ILE  15          HD12      ILE  15  -4.095  -4.171  -2.504
  104   HD13  ILE  15          HD13      ILE  15  -5.769  -4.670  -2.261
  105    H    CYS  16           HN       CYS  16  -2.049  -3.995   1.827
  106    HA   CYS  16           HA       CYS  16   0.766  -4.257   1.587
  107    HB2  CYS  16           HB2      CYS  16  -0.931  -2.341   3.187
  108    HB3  CYS  16           HB1      CYS  16   0.822  -2.217   3.038
  109    H    GLY  17           HN       GLY  17  -1.505  -4.864   4.216
  110    HA2  GLY  17           HA2      GLY  17   0.610  -5.474   6.096
  111    HA3  GLY  17           HA1      GLY  17  -1.118  -5.639   6.372
  112    H    GLY  18           HN       GLY  18   0.983  -7.035   3.880
  113    HA2  GLY  18           HA2      GLY  18   1.111  -9.623   4.991
  114    HA3  GLY  18           HA1      GLY  18  -0.238  -9.546   3.863
  115    H    ALA  19           HN       ALA  19   0.552  -8.147   1.788
  116    HA   ALA  19           HA       ALA  19   2.599  -9.812   0.607
  117    HB1  ALA  19           HB1      ALA  19   0.419  -8.214  -0.348
  118    HB2  ALA  19           HB2      ALA  19   1.355  -9.443  -1.198
  119    HB3  ALA  19           HB3      ALA  19   1.901  -7.766  -1.193
  120    H    ALA  20           HN       ALA  20   2.121  -6.387   1.291
  121    HA   ALA  20           HA       ALA  20   3.497  -4.623   1.585
  122    HB1  ALA  20           HB1      ALA  20   6.031  -5.690   2.078
  123    HB2  ALA  20           HB2      ALA  20   4.886  -6.869   2.720
  124    HB3  ALA  20           HB3      ALA  20   4.823  -5.192   3.265
  125    H    GLY  21           HN       GLY  21   5.912  -6.847   0.214
  126    HA2  GLY  21           HA2      GLY  21   6.854  -4.846  -1.609
  127    HA3  GLY  21           HA1      GLY  21   7.385  -6.522  -1.533
  128    H    GLY  22           HN       GLY  22   4.820  -7.701  -1.860
  129    HA2  GLY  22           HA2      GLY  22   4.621  -7.540  -4.734
  130    HA3  GLY  22           HA1      GLY  22   3.729  -8.630  -3.684
  Start of MODEL   20
    1    H1   GLY   1           HN       GLY   1   2.974  -4.809   0.108
    2    HA2  GLY   1           HA2      GLY   1   3.211  -5.289  -2.720
    3    HA3  GLY   1           HA1      GLY   1   1.722  -5.019  -1.829
    4    H    HIS   2           HN       HIS   2   0.692  -3.433  -2.870
    5    HA   HIS   2           HA       HIS   2   2.081  -1.257  -4.147
    6    HB2  HIS   2           HB2      HIS   2  -0.081  -2.299  -4.963
    7    HB3  HIS   2           HB1      HIS   2  -0.891  -1.503  -3.623
    8    HD1  HIS   2           HD1      HIS   2  -2.272  -0.408  -5.688
    9    HD2  HIS   2           HD2      HIS   2   1.664   0.843  -5.209
   10    HE1  HIS   2           HE1      HIS   2  -2.074   1.719  -7.010
   11    HE2  HIS   2           HE2      HIS   2   0.251   2.557  -6.534
   12    H    CYS   3           HN       CYS   3   2.702  -1.381  -1.419
   13    HA   CYS   3           HA       CYS   3   1.165   0.397   0.164
   14    HB2  CYS   3           HB2      CYS   3   4.088  -0.285   0.502
   15    HB3  CYS   3           HB1      CYS   3   2.971   0.270   1.747
   16    H    SER   4           HN       SER   4   3.311   0.941  -2.393
   17    HA   SER   4           HA       SER   4   4.489   3.384  -1.652
   18    HB2  SER   4           HB2      SER   4   5.256   2.030  -3.573
   19    HB3  SER   4           HB1      SER   4   3.758   2.400  -4.425
   20    HG   SER   4           HG       SER   4   4.735   4.710  -3.695
   21    H    ASP   5           HN       ASP   5   1.309   2.551  -2.696
   22    HA   ASP   5           HA       ASP   5   0.570   5.315  -3.265
   23    HB2  ASP   5           HB2      ASP   5  -0.249   3.502  -4.739
   24    HB3  ASP   5           HB1      ASP   5  -1.059   2.760  -3.368
   25    HA   PRO   6           HA       PRO   6  -0.381   5.771   1.112
   26    HB2  PRO   6           HB2      PRO   6  -1.600   8.235   0.749
   27    HB3  PRO   6           HB1      PRO   6   0.124   7.986   1.032
   28    HG2  PRO   6           HG2      PRO   6  -1.331   8.442  -1.533
   29    HG3  PRO   6           HG1      PRO   6   0.253   9.046  -1.017
   30    HD2  PRO   6           HD2      PRO   6   0.020   7.005  -2.744
   31    HD3  PRO   6           HD1      PRO   6   1.319   7.054  -1.534
   32    H    ARG   7           HN       ARG   7  -2.637   6.381  -1.516
   33    HA   ARG   7           HA       ARG   7  -5.010   6.289   0.034
   34    HB2  ARG   7           HB2      ARG   7  -5.199   7.334  -2.054
   35    HB3  ARG   7           HB1      ARG   7  -4.348   6.042  -2.883
   36    HG2  ARG   7           HG2      ARG   7  -6.368   4.586  -2.328
   37    HG3  ARG   7           HG1      ARG   7  -7.188   6.100  -1.927
   38    HD2  ARG   7           HD2      ARG   7  -7.541   5.318  -4.278
   39    HD3  ARG   7           HD1      ARG   7  -6.867   6.943  -4.138
   40    HE   ARG   7           HE       ARG   7  -4.761   5.082  -4.349
   41   HH11  ARG   7          HH11      ARG   7  -7.306   6.468  -6.315
   42   HH12  ARG   7          HH12      ARG   7  -6.424   6.299  -7.795
   43   HH21  ARG   7          HH21      ARG   7  -3.599   4.853  -6.253
   44   HH22  ARG   7          HH22      ARG   7  -4.294   5.376  -7.764
   45    H    PHE   8           HN       PHE   8  -3.234   3.893  -1.863
   46    HA   PHE   8           HA       PHE   8  -5.033   1.754  -1.568
   47    HB2  PHE   8           HB2      PHE   8  -3.154   1.804  -3.197
   48    HB3  PHE   8           HB1      PHE   8  -2.025   1.592  -1.861
   49    HD1  PHE   8           HD1      PHE   8  -4.966  -0.001  -3.483
   50    HD2  PHE   8           HD2      PHE   8  -1.439  -0.532  -1.167
   51    HE1  PHE   8           HE1      PHE   8  -5.237  -2.440  -3.637
   52    HE2  PHE   8           HE2      PHE   8  -1.697  -2.970  -1.319
   53    HZ   PHE   8           HZ       PHE   8  -3.600  -3.928  -2.557
   54    H    ASN   9           HN       ASN   9  -2.416   2.906   0.501
   55    HA   ASN   9           HA       ASN   9  -2.264   0.695   2.222
   56    HB2  ASN   9           HB2      ASN   9  -1.717   3.619   2.744
   57    HB3  ASN   9           HB1      ASN   9  -1.385   2.347   3.917
   58   HD21  ASN   9          HD21      ASN   9   0.127   4.263   1.921
   59   HD22  ASN   9          HD22      ASN   9   1.394   3.243   1.338
   60    H    TYR  10           HN       TYR  10  -4.414   3.461   2.181
   61    HA   TYR  10           HA       TYR  10  -5.671   2.758   4.683
   62    HB2  TYR  10           HB2      TYR  10  -5.445   5.118   3.921
   63    HB3  TYR  10           HB1      TYR  10  -6.524   4.761   2.579
   64    HD1  TYR  10           HD2      TYR  10  -6.652   3.965   6.232
   65    HD2  TYR  10           HD1      TYR  10  -8.551   5.802   2.898
   66    HE1  TYR  10           HE2      TYR  10  -8.589   4.511   7.645
   67    HE2  TYR  10           HE1      TYR  10 -10.493   6.355   4.302
   68    HH   TYR  10           HH       TYR  10 -11.270   4.982   6.989
   69    H    ASP  11           HN       ASP  11  -6.394   2.582   1.253
   70    HA   ASP  11           HA       ASP  11  -9.033   1.603   1.478
   71    HB2  ASP  11           HB2      ASP  11  -8.331   2.703  -0.528
   72    HB3  ASP  11           HB1      ASP  11  -7.016   1.561  -0.767
   73    H    HIS  12           HN       HIS  12  -5.918  -0.075   1.038
   74    HA   HIS  12           HA       HIS  12  -7.188  -2.525   1.995
   75    HB2  HIS  12           HB2      HIS  12  -5.841  -2.259  -0.682
   76    HB3  HIS  12           HB1      HIS  12  -5.973  -3.811   0.140
   77    HD1  HIS  12           HD1      HIS  12  -8.567  -4.438   0.823
   78    HD2  HIS  12           HD2      HIS  12  -7.957  -1.681  -2.230
   79    HE1  HIS  12           HE1      HIS  12 -10.764  -4.284  -0.406
   80    HE2  HIS  12           HE2      HIS  12 -10.430  -2.387  -2.034
   81    HA   PRO  13           HA       PRO  13  -2.965  -1.778   3.818
   82    HB2  PRO  13           HB2      PRO  13  -3.745  -2.540   6.332
   83    HB3  PRO  13           HB1      PRO  13  -3.818  -0.877   5.742
   84    HG2  PRO  13           HG2      PRO  13  -5.995  -2.917   5.932
   85    HG3  PRO  13           HG1      PRO  13  -6.048  -1.184   6.303
   86    HD2  PRO  13           HD2      PRO  13  -7.033  -2.189   4.003
   87    HD3  PRO  13           HD1      PRO  13  -6.270  -0.588   4.083
   88    H    GLU  14           HN       GLU  14  -5.317  -4.392   4.053
   89    HA   GLU  14           HA       GLU  14  -3.540  -6.365   5.025
   90    HB2  GLU  14           HB2      GLU  14  -5.231  -7.966   4.518
   91    HB3  GLU  14           HB1      GLU  14  -6.045  -6.518   5.079
   92    HG2  GLU  14           HG2      GLU  14  -5.712  -7.165   2.164
   93    HG3  GLU  14           HG1      GLU  14  -7.075  -7.736   3.119
   94    H    ILE  15           HN       ILE  15  -4.398  -5.323   1.764
   95    HA   ILE  15           HA       ILE  15  -2.921  -7.398   0.466
   96    HB   ILE  15           HB       ILE  15  -3.807  -4.743  -0.679
   97   HG12  ILE  15          HG12      ILE  15  -5.161  -7.453  -0.707
   98   HG13  ILE  15          HG11      ILE  15  -5.700  -6.043   0.197
   99   HG21  ILE  15          HG21      ILE  15  -2.435  -5.418  -2.337
  100   HG22  ILE  15          HG22      ILE  15  -3.777  -6.485  -2.749
  101   HG23  ILE  15          HG23      ILE  15  -2.428  -7.095  -1.791
  102   HD11  ILE  15          HD11      ILE  15  -6.273  -6.795  -2.497
  103   HD12  ILE  15          HD12      ILE  15  -5.478  -5.221  -2.475
  104   HD13  ILE  15          HD13      ILE  15  -6.949  -5.480  -1.536
  105    H    CYS  16           HN       CYS  16  -2.236  -4.143   1.571
  106    HA   CYS  16           HA       CYS  16   0.247  -3.796   0.269
  107    HB2  CYS  16           HB2      CYS  16  -0.591  -1.813   1.159
  108    HB3  CYS  16           HB1      CYS  16  -1.056  -2.570   2.678
  109    H    GLY  17           HN       GLY  17  -0.631  -5.094   3.453
  110    HA2  GLY  17           HA2      GLY  17   0.470  -6.656   4.747
  111    HA3  GLY  17           HA1      GLY  17   1.607  -6.878   3.423
  112    H    GLY  18           HN       GLY  18   0.725  -4.330   5.746
  113    HA2  GLY  18           HA2      GLY  18   3.178  -3.010   5.774
  114    HA3  GLY  18           HA1      GLY  18   2.010  -2.982   7.086
  115    H    ALA  19           HN       ALA  19   2.063  -5.698   7.787
  116    HA   ALA  19           HA       ALA  19   4.372  -5.762   9.447
  117    HB1  ALA  19           HB1      ALA  19   1.946  -7.367   9.091
  118    HB2  ALA  19           HB2      ALA  19   2.805  -6.918  10.565
  119    HB3  ALA  19           HB3      ALA  19   3.359  -8.289   9.605
  120    H    ALA  20           HN       ALA  20   3.382  -7.434   6.522
  121    HA   ALA  20           HA       ALA  20   6.043  -7.897   5.669
  122    HB1  ALA  20           HB1      ALA  20   6.022  -9.693   7.284
  123    HB2  ALA  20           HB2      ALA  20   5.948 -10.380   5.661
  124    HB3  ALA  20           HB3      ALA  20   4.489 -10.294   6.650
  125    H    GLY  21           HN       GLY  21   5.857  -7.600   3.554
  126    HA2  GLY  21           HA2      GLY  21   4.490  -9.091   1.736
  127    HA3  GLY  21           HA1      GLY  21   3.326  -7.864   2.218
  128    H    GLY  22           HN       GLY  22   4.368  -5.575   2.280
  129    HA2  GLY  22           HA2      GLY  22   5.341  -3.836   1.135
  130    HA3  GLY  22           HA1      GLY  22   6.500  -4.995   0.502