*HEADER    TRANSPORT PROTEIN                       19-JAN-10   2KT6              
*TITLE     STRUCTURAL HOMOLOGY BETWEEN THE C-TERMINAL DOMAIN OF THE              
*TITLE    2 PAPC USHER AND ITS PLUG                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: OUTER MEMBRANE USHER PROTEIN PAPC;                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SEQUENCE DATABASE RESIDUES 752-836;                        
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE   3 ORGANISM_TAXID: 562;                                                 
*SOURCE   4 GENE: PAPC;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: PET                                        
*KEYWDS    PILUS, CHAPERONE-USHER, GRAM-NEGATIVE, CELL MEMBRANE, CELL            
*KEYWDS   2 OUTER MEMBRANE, DISULFIDE BOND, FIMBRIUM BIOGENESIS,                 
*KEYWDS   3 MEMBRANE, TRANSMEMBRANE, TRANSPORT, TRANSPORT PROTEIN                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    B.FORD, A.REGO, T.J.RAGAN, J.PINKNER, K.DODSON,                       
*AUTHOR   2 P.C.DRISCOLL, S.HULTGREN, G.WAKSMAN                                  
*REVDAT   1   21-APR-10 2KT6    0                                                


!
!Water peaks:
!2-8 14 15 17 18 28-32 41 42 46-47 57-61 69-78 84-87
!

class hbon

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assign (resid 30 and name   N)(resid  27 and name  O) 2.8 0.0 0.2

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assign (resid 53 and name   N)(resid  65 and name  O) 2.8 0.0 0.2

assign (resid 54 and name  HN)(resid  26 and name  O) 1.8 0.0 0.2
assign (resid 54 and name   N)(resid  26 and name  O) 2.8 0.0 0.2

assign (resid 55 and name  HN)(resid  63 and name  O) 1.8 0.0 0.2
assign (resid 55 and name   N)(resid  63 and name  O) 2.8 0.0 0.2

assign (resid 56 and name  HN)(resid  24 and name  O) 1.8 0.0 0.2
assign (resid 56 and name   N)(resid  24 and name  O) 2.8 0.0 0.2

assign (resid 57 and name  HN)(resid  60 and name  O) 1.8 0.0 0.2
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assign (resid 62 and name  HN)(resid  55 and name  O) 1.8 0.0 0.2
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assign (resid 63 and name  HN)(resid  0 and name  O) 1.8 0.0 0.2
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assign (resid 65 and name  HN)(resid  53 and name  O) 1.8 0.0 0.2
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assign (resid 67 and name  HN)(resid  51 and name  O) 1.8 0.0 0.2
assign (resid 67 and name   N)(resid  51 and name  O) 2.8 0.0 0.2

assign (resid 74 and name  HN)(resid  6 and name  O) 1.8 0.0 0.2 
assign (resid 74 and name   N)(resid  6 and name  O) 2.8 0.0 0.2

assign (resid 77 and name  HN)(resid  8 and name  O) 1.8 0.0 0.2 
assign (resid 77 and name   N)(resid  8 and name  O) 2.8 0.0 0.2

assign (resid 79 and name  HN)(resid  10 and name  O) 1.8 0.0 0.2
assign (resid 79 and name   N)(resid  10 and name  O) 2.8 0.0 0.2

assign (resid 81 and name  HN)(resid  12 and name  O) 1.8 0.0 0.2
assign (resid 81 and name   N)(resid  12 and name  O) 2.8 0.0 0.2

assign (resid 82 and name  HN)(resid  64 and name  O) 1.8 0.0 0.2
assign (resid 82 and name   N)(resid  64 and name  O) 2.8 0.0 0.2



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         (segid    A and resid 43   and name CA  ) (segid    A and resid 43   and name C   )  1.00 -99.02 60.98 2

 ASSIGN  (segid    A and resid 43   and name N   ) (segid    A and resid 43   and name CA  )
         (segid    A and resid 43   and name C   ) (segid    A and resid 44   and name N   )  1.00 128.54 38.54 2

 ASSIGN  (segid    A and resid 43   and name C   ) (segid    A and resid 44   and name N   )
         (segid    A and resid 44   and name CA  ) (segid    A and resid 44   and name C   )  1.00 -122.92 47.08 2

 ASSIGN  (segid    A and resid 44   and name N   ) (segid    A and resid 44   and name CA  )
         (segid    A and resid 44   and name C   ) (segid    A and resid 45   and name N   )  1.00 138.24 38.24 2

 ASSIGN  (segid    A and resid 44   and name C   ) (segid    A and resid 45   and name N   )
         (segid    A and resid 45   and name CA  ) (segid    A and resid 45   and name C   )  1.00 -121.51 58.49 2

 ASSIGN  (segid    A and resid 45   and name N   ) (segid    A and resid 45   and name CA  )
         (segid    A and resid 45   and name C   ) (segid    A and resid 46   and name N   )  1.00 145.73 55.73 2

 ASSIGN  (segid    A and resid 46   and name C   ) (segid    A and resid 47   and name N   )
         (segid    A and resid 47   and name CA  ) (segid    A and resid 47   and name C   )  1.00 -65.58 54.42 2

 ASSIGN  (segid    A and resid 47   and name N   ) (segid    A and resid 47   and name CA  )
         (segid    A and resid 47   and name C   ) (segid    A and resid 48   and name N   )  1.00 137.01 37.01 2

 ASSIGN  (segid    A and resid 47   and name C   ) (segid    A and resid 48   and name N   )
         (segid    A and resid 48   and name CA  ) (segid    A and resid 48   and name C   )  1.00 -74.28 95.72 2

 ASSIGN  (segid    A and resid 48   and name N   ) (segid    A and resid 48   and name CA  )
         (segid    A and resid 48   and name C   ) (segid    A and resid 49   and name N   )  1.00 150.43 60.43 2

 ASSIGN  (segid    A and resid 48   and name C   ) (segid    A and resid 49   and name N   )
         (segid    A and resid 49   and name CA  ) (segid    A and resid 49   and name C   )  1.00 -55.39 34.61 2

 ASSIGN  (segid    A and resid 49   and name N   ) (segid    A and resid 49   and name CA  )
         (segid    A and resid 49   and name C   ) (segid    A and resid 50   and name N   )  1.00 135.88 25.88 2

 ASSIGN  (segid    A and resid 49   and name C   ) (segid    A and resid 50   and name N   )
         (segid    A and resid 50   and name CA  ) (segid    A and resid 50   and name C   )  1.00  84.38 34.38 2

 ASSIGN  (segid    A and resid 50   and name N   ) (segid    A and resid 50   and name CA  )
         (segid    A and resid 50   and name C   ) (segid    A and resid 51   and name N   )  1.00  -2.71 37.29 2

 ASSIGN  (segid    A and resid 50   and name C   ) (segid    A and resid 51   and name N   )
         (segid    A and resid 51   and name CA  ) (segid    A and resid 51   and name C   )  1.00 -132.49 47.51 2

 ASSIGN  (segid    A and resid 51   and name N   ) (segid    A and resid 51   and name CA  )
         (segid    A and resid 51   and name C   ) (segid    A and resid 52   and name N   )  1.00 149.26 59.26 2

 ASSIGN  (segid    A and resid 51   and name C   ) (segid    A and resid 52   and name N   )
         (segid    A and resid 52   and name CA  ) (segid    A and resid 52   and name C   )  1.00 -101.85 58.15 2

 ASSIGN  (segid    A and resid 52   and name N   ) (segid    A and resid 52   and name CA  )
         (segid    A and resid 52   and name C   ) (segid    A and resid 53   and name N   )  1.00 126.34 36.34 2

 ASSIGN  (segid    A and resid 52   and name C   ) (segid    A and resid 53   and name N   )
         (segid    A and resid 53   and name CA  ) (segid    A and resid 53   and name C   )  1.00 -114.32 65.68 2

 ASSIGN  (segid    A and resid 53   and name N   ) (segid    A and resid 53   and name CA  )
         (segid    A and resid 53   and name C   ) (segid    A and resid 54   and name N   )  1.00 134.50 54.50 2

 ASSIGN  (segid    A and resid 53   and name C   ) (segid    A and resid 54   and name N   )
         (segid    A and resid 54   and name CA  ) (segid    A and resid 54   and name C   )  1.00 -122.63 57.37 2

 ASSIGN  (segid    A and resid 54   and name N   ) (segid    A and resid 54   and name CA  )
         (segid    A and resid 54   and name C   ) (segid    A and resid 55   and name N   )  1.00 137.70 47.70 2

 ASSIGN  (segid    A and resid 54   and name C   ) (segid    A and resid 55   and name N   )
         (segid    A and resid 55   and name CA  ) (segid    A and resid 55   and name C   )  1.00 -114.76 45.24 2

 ASSIGN  (segid    A and resid 55   and name N   ) (segid    A and resid 55   and name CA  )
         (segid    A and resid 55   and name C   ) (segid    A and resid 56   and name N   )  1.00 127.00 37.00 2

 ASSIGN  (segid    A and resid 57   and name C   ) (segid    A and resid 58   and name N   )
         (segid    A and resid 58   and name CA  ) (segid    A and resid 58   and name C   )  1.00 -65.89 54.11 2

 ASSIGN  (segid    A and resid 58   and name N   ) (segid    A and resid 58   and name CA  )
         (segid    A and resid 58   and name C   ) (segid    A and resid 59   and name N   )  1.00 -21.04 48.96 2

 ASSIGN  (segid    A and resid 60   and name C   ) (segid    A and resid 61   and name N   )
         (segid    A and resid 61   and name CA  ) (segid    A and resid 61   and name C   )  1.00 -68.09 51.91 2

 ASSIGN  (segid    A and resid 61   and name N   ) (segid    A and resid 61   and name CA  )
         (segid    A and resid 61   and name C   ) (segid    A and resid 62   and name N   )  1.00 139.36 49.36 2

 ASSIGN  (segid    A and resid 63   and name C   ) (segid    A and resid 64   and name N   )
         (segid    A and resid 64   and name CA  ) (segid    A and resid 64   and name C   )  1.00 -136.76 43.24 2

 ASSIGN  (segid    A and resid 64   and name N   ) (segid    A and resid 64   and name CA  )
         (segid    A and resid 64   and name C   ) (segid    A and resid 65   and name N   )  1.00 148.12 48.12 2

 ASSIGN  (segid    A and resid 64   and name C   ) (segid    A and resid 65   and name N   )
         (segid    A and resid 65   and name CA  ) (segid    A and resid 65   and name C   )  1.00 -129.39 50.61 2

 ASSIGN  (segid    A and resid 65   and name N   ) (segid    A and resid 65   and name CA  )
         (segid    A and resid 65   and name C   ) (segid    A and resid 66   and name N   )  1.00 137.97 47.97 2

 ASSIGN  (segid    A and resid 65   and name C   ) (segid    A and resid 66   and name N   )
         (segid    A and resid 66   and name CA  ) (segid    A and resid 66   and name C   )  1.00 -109.38 50.62 2

 ASSIGN  (segid    A and resid 66   and name N   ) (segid    A and resid 66   and name CA  )
         (segid    A and resid 66   and name C   ) (segid    A and resid 67   and name N   )  1.00 124.96 34.96 2

 ASSIGN  (segid    A and resid 66   and name C   ) (segid    A and resid 67   and name N   )
         (segid    A and resid 67   and name CA  ) (segid    A and resid 67   and name C   )  1.00 -93.02 66.98 2

 ASSIGN  (segid    A and resid 67   and name N   ) (segid    A and resid 67   and name CA  )
         (segid    A and resid 67   and name C   ) (segid    A and resid 68   and name N   )  1.00 118.44 38.44 2

 ASSIGN  (segid    A and resid 67   and name C   ) (segid    A and resid 68   and name N   )
         (segid    A and resid 68   and name CA  ) (segid    A and resid 68   and name C   )  1.00 -60.15 39.85 2

 ASSIGN  (segid    A and resid 68   and name N   ) (segid    A and resid 68   and name CA  )
         (segid    A and resid 68   and name C   ) (segid    A and resid 69   and name N   )  1.00 139.97 29.97 2

 ASSIGN  (segid    A and resid 68   and name C   ) (segid    A and resid 69   and name N   )
         (segid    A and resid 69   and name CA  ) (segid    A and resid 69   and name C   )  1.00 -63.02 36.98 2

 ASSIGN  (segid    A and resid 69   and name N   ) (segid    A and resid 69   and name CA  )
         (segid    A and resid 69   and name C   ) (segid    A and resid 70   and name N   )  1.00 -25.31 44.69 2

 ASSIGN  (segid    A and resid 69   and name C   ) (segid    A and resid 70   and name N   )
         (segid    A and resid 70   and name CA  ) (segid    A and resid 70   and name C   )  1.00 -90.51 39.49 2

 ASSIGN  (segid    A and resid 70   and name N   ) (segid    A and resid 70   and name CA  )
         (segid    A and resid 70   and name C   ) (segid    A and resid 71   and name N   )  1.00  -6.15 43.85 2

 ASSIGN  (segid    A and resid 76   and name C   ) (segid    A and resid 77   and name N   )
         (segid    A and resid 77   and name CA  ) (segid    A and resid 77   and name C   )  1.00 -130.99 49.01 2

 ASSIGN  (segid    A and resid 77   and name N   ) (segid    A and resid 77   and name CA  )
         (segid    A and resid 77   and name C   ) (segid    A and resid 78   and name N   )  1.00 140.10 40.10 2

 ASSIGN  (segid    A and resid 77   and name C   ) (segid    A and resid 78   and name N   )
         (segid    A and resid 78   and name CA  ) (segid    A and resid 78   and name C   )  1.00 -104.74 45.26 2

 ASSIGN  (segid    A and resid 78   and name N   ) (segid    A and resid 78   and name CA  )
         (segid    A and resid 78   and name C   ) (segid    A and resid 79   and name N   )  1.00 117.49 27.49 2

 ASSIGN  (segid    A and resid 78   and name C   ) (segid    A and resid 79   and name N   )
         (segid    A and resid 79   and name CA  ) (segid    A and resid 79   and name C   )  1.00 -121.52 48.48 2

 ASSIGN  (segid    A and resid 79   and name N   ) (segid    A and resid 79   and name CA  )
         (segid    A and resid 79   and name C   ) (segid    A and resid 80   and name N   )  1.00 133.07 43.07 2

 ASSIGN  (segid    A and resid 79   and name C   ) (segid    A and resid 80   and name N   )
         (segid    A and resid 80   and name CA  ) (segid    A and resid 80   and name C   )  1.00 -87.07 72.93 2

 ASSIGN  (segid    A and resid 80   and name N   ) (segid    A and resid 80   and name CA  )
         (segid    A and resid 80   and name C   ) (segid    A and resid 81   and name N   )  1.00 127.73 47.73 2

 ASSIGN  (segid    A and resid 80   and name C   ) (segid    A and resid 81   and name N   )
         (segid    A and resid 81   and name CA  ) (segid    A and resid 81   and name C   )  1.00 -117.58 62.42 2

 ASSIGN  (segid    A and resid 81   and name N   ) (segid    A and resid 81   and name CA  )
         (segid    A and resid 81   and name C   ) (segid    A and resid 82   and name N   )  1.00 129.86 49.86 2

 ASSIGN  (segid    A and resid 81   and name C   ) (segid    A and resid 82   and name N   )
         (segid    A and resid 82   and name CA  ) (segid    A and resid 82   and name C   )  1.00 -73.35 56.65 2

 ASSIGN  (segid    A and resid 82   and name N   ) (segid    A and resid 82   and name CA  )
         (segid    A and resid 82   and name C   ) (segid    A and resid 83   and name N   )  1.00 145.05 55.05 2

 ASSIGN  (segid    A and resid 82   and name C   ) (segid    A and resid 83   and name N   )
         (segid    A and resid 83   and name CA  ) (segid    A and resid 83   and name C   )  1.00 -63.81 46.19 2

 ASSIGN  (segid    A and resid 83   and name N   ) (segid    A and resid 83   and name CA  )
         (segid    A and resid 83   and name C   ) (segid    A and resid 84   and name N   )  1.00 143.83 43.83 2

 ASSIGN  (segid    A and resid 84   and name C   ) (segid    A and resid 85   and name N   )
         (segid    A and resid 85   and name CA  ) (segid    A and resid 85   and name C   )  1.00 -72.79 57.21 2

 ASSIGN  (segid    A and resid 85   and name N   ) (segid    A and resid 85   and name CA  )
         (segid    A and resid 85   and name C   ) (segid    A and resid 86   and name N   )  1.00 -21.46 48.54 2

 ASSIGN  (segid    A and resid 87   and name C   ) (segid    A and resid 88   and name N   )
         (segid    A and resid 88   and name CA  ) (segid    A and resid 88   and name C   )  1.00 -112.14 67.86 2

 ASSIGN  (segid    A and resid 88   and name N   ) (segid    A and resid 88   and name CA  )
         (segid    A and resid 88   and name C   ) (segid    A and resid 89   and name N   )  1.00 136.88 46.88 2

 ASSIGN  (segid    A and resid 88   and name C   ) (segid    A and resid 89   and name N   )
         (segid    A and resid 89   and name CA  ) (segid    A and resid 89   and name C   )  1.00 -122.45 57.55 2

 ASSIGN  (segid    A and resid 89   and name N   ) (segid    A and resid 89   and name CA  )
         (segid    A and resid 89   and name C   ) (segid    A and resid 90   and name N   )  1.00 141.82 61.82 2

 ASSIGN  (segid    A and resid 90   and name C   ) (segid    A and resid 91   and name N   )
         (segid    A and resid 91   and name CA  ) (segid    A and resid 91   and name C   )  1.00 -55.26 44.74 2

 ASSIGN  (segid    A and resid 91   and name N   ) (segid    A and resid 91   and name CA  )
         (segid    A and resid 91   and name C   ) (segid    A and resid 92   and name N   )  1.00 -25.27 34.73 2

 ASSIGN  (segid    A and resid 91   and name C   ) (segid    A and resid 92   and name N   )
         (segid    A and resid 92   and name CA  ) (segid    A and resid 92   and name C   )  1.00 -74.36 45.64 2

 ASSIGN  (segid    A and resid 92   and name N   ) (segid    A and resid 92   and name CA  )
         (segid    A and resid 92   and name C   ) (segid    A and resid 93   and name N   )  1.00 -45.70 24.30 2

class C13

 ASSI { 2260}
   (( segid    A and resid 26   and name  HB  ))
   (  segid    A and resid 32   and name  HB# )

      6.000     4.200     0.000 peak  2260 weight  1.00000E+00 volume  6.37853E+07 ppm1      3.987 ppm2      2.099
 ASSI { 2875}
   (( segid    A and resid 57   and name  HZ2 ))
   (( segid    A and resid 18   and name  HB1 ))

      6.000     4.200     0.000 peak  2875 weight  1.00000E+00 volume  1.26464E+06 ppm1      7.411 ppm2      1.835
 ASSI { 2057}
   (( segid    A and resid 51   and name  HA  ))
   (( segid    A and resid 51   and name  HB1 ))

      4.000     2.200     0.000 peak  2057 weight  1.00000E+00 volume  1.45287E+09 ppm1      4.541 ppm2      1.835
 ASSI { 1202}
   (  segid    A and resid 32   and name  HB# )
   (( segid    A and resid 26   and name  HA  ))

      6.000     4.200     0.000 peak  1202 weight  1.00000E+00 volume  1.73028E+08 ppm1      5.438 ppm2      2.115
 ASSI { 2504}
   (( segid    A and resid 49   and name  HG1 ))
   (( segid    A and resid 49   and name  HB1 ))

      4.000     2.200     0.000 peak  2504 weight  1.00000E+00 volume  1.69392E+07 ppm1      2.494 ppm2      2.225
 ASSI { 2444}
   (( segid    A and resid 16   and name  HA1 ))
   (( segid    A and resid 16   and name  HA2 ))

      4.000     2.200     0.000 peak  2444 weight  1.00000E+00 volume  5.30973E+07 ppm1      3.601 ppm2      4.370
 ASSI { 1845}
   (( segid    A and resid 18   and name  HB1 ))
   (( segid    A and resid 40   and name  HA1 ))

      5.000     3.200     0.000 peak  1845 weight  1.00000E+00 volume  4.90839E+08 ppm1      3.243 ppm2      1.827
 ASSI { 2482}
   (( segid    A and resid 21   and name  HB1 ))
   (  segid    A and resid 36   and name  HG2#)

      6.000     4.200     0.000 peak  2482 weight  1.00000E+00 volume  1.48210E+06 ppm1      2.888 ppm2      0.729
 ASSI { 2686}
   (  segid    A and resid 25   and name  HG2#)
   (  segid    A and resid 55   and name  HG2#)

      6.000     4.200     0.000 peak  2686 weight  1.00000E+00 volume  2.53745E+07 ppm1      0.759 ppm2      0.990
 ASSI { 2178}
   (( segid    A and resid 49   and name  HA  ))
   (  segid    A and resid 48   and name  HG2#)

      6.000     4.200     0.000 peak  2178 weight  1.00000E+00 volume  2.51866E+08 ppm1      3.877 ppm2      1.221
 ASSI { 1373}
   (( segid    A and resid 8    and name  HA  ))
   (( segid    A and resid 43   and name  HZ2 ))

      6.000     4.200     0.000 peak  1373 weight  1.00000E+00 volume  1.17412E+08 ppm1      5.011 ppm2      7.290
! ASSI { 2486}
!   (( segid    A and resid 8    and name  HA  ))
!   (( segid    A and resid 10   and name  HA  ))
!
!      6.000     4.200     0.000 peak  2486 weight  1.00000E+00 volume  2.29023E+06 ppm1      4.298 ppm2      5.012
 ASSI {  909}
   (  segid    A and resid 25   and name  HG2#)
   (  segid    A and resid 44   and name  HD2#)

      5.000     3.200     0.000 peak   909 weight  1.00000E+00 volume  2.26409E+09 ppm1      0.559 ppm2      0.758
 ASSI { 2528}
   (( segid    A and resid 49   and name  HB1 ))
   (( segid    A and resid 49   and name  HD1 ))

      6.000     4.200     0.000 peak  2528 weight  1.00000E+00 volume  2.64093E+06 ppm1      2.498 ppm2      4.028
 ASSI { 2359}
   (( segid    A and resid 80   and name  HB1 ))
   (( segid    A and resid 80   and name  HD1 ))

      5.000     3.200     0.000 peak  2359 weight  1.00000E+00 volume  6.79038E+08 ppm1      1.846 ppm2      3.850
 ASSI { 1920}
   (  segid    A and resid 60   and name  HE# )
   (( segid    A and resid 60   and name  HB1 ))

      4.000     2.200     0.000 peak  1920 weight  1.00000E+00 volume  1.19349E+09 ppm1      2.856 ppm2      1.509
 ASSI {  779}
   (  segid    A and resid 36   and name  HG2#)
   (( segid    A and resid 36   and name  HB  ))

      4.000     2.200     0.000 peak   779 weight  1.00000E+00 volume  2.36116E+09 ppm1      0.690 ppm2      1.946
 ASSI { 1145}
   (  segid    A and resid 42   and name  HB# )
   (( segid    A and resid 35   and name  HG1 ))

      4.000     2.200     0.000 peak  1145 weight  1.00000E+00 volume  1.53056E+09 ppm1      1.035 ppm2      2.372
 ASSI { 2632}
   (( segid    A and resid 44   and name  HB1 ))
   (  segid    A and resid 44   and name  HD2#)

      6.000     4.200     0.000 peak  2632 weight  1.00000E+00 volume  1.14791E+07 ppm1      0.959 ppm2      0.536
 ASSI {  940}
   (( segid    A and resid 53   and name  HB1 ))
   (( segid    A and resid 53   and name  HA  ))

      4.000     2.200     0.000 peak   940 weight  1.00000E+00 volume  9.19220E+08 ppm1      4.980 ppm2      1.537
 ASSI { 1426}
   (( segid    A and resid 64   and name  HG1 ))
   (( segid    A and resid 65   and name  HA  ))

      6.000     4.200     0.000 peak  1426 weight  1.00000E+00 volume  4.20012E+07 ppm1      2.320 ppm2      4.696
! ASSI { 1685}
!   (  segid    A and resid 25   and name  HG1#)
!   (( segid    A and resid 35   and name  HB1 ))
!
!      6.000     4.200     0.000 peak  1685 weight  1.00000E+00 volume  3.87895E+07 ppm1      1.806 ppm2      0.641
 ASSI { 1793}
   (( segid    A and resid 20   and name  HB2 ))
   (( segid    A and resid 20   and name  HD1 ))

      5.000     3.200     0.000 peak  1793 weight  1.00000E+00 volume  8.71985E+06 ppm1      2.148 ppm2      1.840
 ASSI {   21}
   (  segid    A and resid 21   and name  HD# )
   (( segid    A and resid 21   and name  HA  ))

      6.000     4.200     0.000 peak    21 weight  1.00000E+00 volume  4.62311E+08 ppm1      3.928 ppm2      7.038
 ASSI { 1177}
   (( segid    A and resid 42   and name  HA  ))
   (  segid    A and resid 37   and name  HB# )

      6.000     4.200     0.000 peak  1177 weight  1.00000E+00 volume  8.15849E+07 ppm1      4.998 ppm2      1.481
 ASSI { 2662}
   (( segid    A and resid 25   and name  HA  ))
   (( segid    A and resid 25   and name  HB  ))

      5.000     3.200     0.000 peak  2662 weight  1.00000E+00 volume  8.66926E+06 ppm1      5.122 ppm2      1.744
 ASSI {  754}
   (( segid    A and resid 56   and name  HA  ))
   (( segid    A and resid 61   and name  HG11))

      6.000     4.200     0.000 peak   754 weight  1.00000E+00 volume  1.71922E+08 ppm1      5.515 ppm2      1.031
 ASSI {  686}
   (( segid    A and resid 43   and name  HB1 ))
   (( segid    A and resid 43   and name  HD1 ))

      6.000     4.200     0.000 peak   686 weight  1.00000E+00 volume  3.09497E+08 ppm1      3.195 ppm2      6.719
 ASSI {  662}
   (( segid    A and resid 80   and name  HD1 ))
   (( segid    A and resid 80   and name  HA  ))

      5.000     3.200     0.000 peak   662 weight  1.00000E+00 volume  2.46096E+08 ppm1      4.883 ppm2      3.838
 ASSI { 1542}
   (( segid    A and resid 12   and name  HB2 ))
   (( segid    A and resid 18   and name  HG1 ))

      6.000     4.200     0.000 peak  1542 weight  1.00000E+00 volume  4.56876E+07 ppm1      1.609 ppm2      2.240
 ASSI {  125}
   (( segid    A and resid 77   and name  HA  ))
   (( segid    A and resid 9    and name  HA  ))

      6.000     4.200     0.000 peak   125 weight  1.00000E+00 volume  8.09496E+07 ppm1      4.650 ppm2      5.066
 ASSI { 2473}
   (( segid    A and resid 46   and name  HA1 ))
   (( segid    A and resid 33   and name  HA  ))

      6.000     4.200     0.000 peak  2473 weight  1.00000E+00 volume  2.09199E+06 ppm1      4.027 ppm2      4.705
 ASSI { 1342}
   (( segid    A and resid 20   and name  HD1 ))
   (( segid    A and resid 19   and name  HA  ))

      4.000     2.200     0.000 peak  1342 weight  1.00000E+00 volume  7.12857E+08 ppm1      3.652 ppm2      2.141
 ASSI { 1821}
   (  segid    A and resid 35   and name  HB# )
   (( segid    A and resid 24   and name  HB1 ))

      6.000     4.200     0.000 peak  1821 weight  1.00000E+00 volume  1.11096E+08 ppm1      3.987 ppm2      1.838
 ASSI {  777}
   (  segid    A and resid 36   and name  HG2#)
   (  segid    A and resid 42   and name  HB# )

      5.000     3.200     0.000 peak   777 weight  1.00000E+00 volume  6.15324E+08 ppm1      0.692 ppm2      1.041
 ASSI { 2230}
   (  segid    A and resid 35   and name  HB# )
   (( segid    A and resid 22   and name  HA1 ))

      5.000     3.200     0.000 peak  2230 weight  1.00000E+00 volume  1.74410E+08 ppm1      3.511 ppm2      1.848
 ASSI { 2237}
   (  segid    A and resid 36   and name  HG2#)
   (  segid    A and resid 23   and name  HB# )

      5.000     3.200     0.000 peak  2237 weight  1.00000E+00 volume  2.00329E+09 ppm1      1.372 ppm2      0.626
 ASSI { 2506}
   (( segid    A and resid 49   and name  HG2 ))
   (( segid    A and resid 49   and name  HB1 ))

      5.000     3.200     0.000 peak  2506 weight  1.00000E+00 volume  1.35737E+07 ppm1      2.493 ppm2      1.716
 ASSI { 1097}
   (  segid    A and resid 54   and name  HB# )
   (( segid    A and resid 61   and name  HB  ))

      6.000     4.200     0.000 peak  1097 weight  1.00000E+00 volume  1.28378E+08 ppm1      3.806 ppm2      1.625
 ASSI { 1371}
   (( segid    A and resid 8    and name  HA  ))
   (( segid    A and resid 8    and name  HB1 ))

      5.000     3.200     0.000 peak  1371 weight  1.00000E+00 volume  4.79568E+08 ppm1      5.004 ppm2      2.510
 ASSI { 1204}
   (( segid    A and resid 26   and name  HA  ))
   (( segid    A and resid 25   and name  HB  ))

      5.000     3.200     0.000 peak  1204 weight  1.00000E+00 volume  3.49142E+08 ppm1      5.436 ppm2      1.810
 ASSI { 1044}
   (( segid    A and resid 10   and name  HB  ))
   (( segid    A and resid 78   and name  HB1 ))

      5.000     3.200     0.000 peak  1044 weight  1.00000E+00 volume  3.35303E+08 ppm1      1.685 ppm2      1.452
 ASSI {  916}
   (( segid    A and resid 44   and name  HA  ))
   (  segid    A and resid 25   and name  HG2#)

      6.000     4.200     0.000 peak   916 weight  1.00000E+00 volume  4.03656E+08 ppm1      4.860 ppm2      0.764
 ASSI { 1142}
   (  segid    A and resid 25   and name  HG2#)
   (( segid    A and resid 36   and name  HA  ))

      6.000     4.200     0.000 peak  1142 weight  1.00000E+00 volume  2.12415E+09 ppm1      0.755 ppm2      3.851
! ASSI { 1034}
!   (( segid    A and resid 8    and name  HA  ))
!   (( segid    A and resid 10   and name  HB  ))
!
!      4.000     2.200     0.000 peak  1034 weight  1.00000E+00 volume  1.07577E+09 ppm1      1.686 ppm2      5.013
 ASSI { 1636}
   (( segid    A and resid 62   and name  HG2 ))
   (( segid    A and resid 62   and name  HA  ))

      5.000     3.200     0.000 peak  1636 weight  1.00000E+00 volume  5.59714E+08 ppm1      4.030 ppm2      1.791
 ASSI { 1074}
   (( segid    A and resid 61   and name  HG11))
   (  segid    A and resid 61   and name  HG2#)

      5.000     3.200     0.000 peak  1074 weight  1.00000E+00 volume  8.00130E+08 ppm1      0.730 ppm2      1.030
 ASSI { 2398}
   (( segid    A and resid 45   and name  HB1 ))
   (( segid    A and resid 6    and name  HG1 ))

      5.000     3.200     0.000 peak  2398 weight  1.00000E+00 volume  6.21495E+06 ppm1      3.751 ppm2      1.495
 ASSI { 1103}
   (  segid    A and resid 54   and name  HB# )
   (  segid    A and resid 61   and name  HD1#)

      6.000     4.200     0.000 peak  1103 weight  1.00000E+00 volume  1.78760E+09 ppm1      3.804 ppm2      0.832
 ASSI { 2562}
   (( segid    A and resid 62   and name  HG1 ))
   (( segid    A and resid 62   and name  HG2 ))

      4.000     2.200     0.000 peak  2562 weight  1.00000E+00 volume  2.33808E+07 ppm1      0.222 ppm2      1.790
 ASSI {  812}
   (( segid    A and resid 21   and name  HB1 ))
   (  segid    A and resid 21   and name  HE# )

      6.000     4.200     0.000 peak   812 weight  1.00000E+00 volume  9.69921E+07 ppm1      2.914 ppm2      7.342
 ASSI { 2204}
   (( segid    A and resid 81   and name  HB1 ))
   (( segid    A and resid 13   and name  HA  ))

      6.000     4.200     0.000 peak  2204 weight  1.00000E+00 volume  3.39639E+08 ppm1      5.039 ppm2      2.655
 ASSI {  118}
   (( segid    A and resid 80   and name  HA  ))
   (( segid    A and resid 81   and name  HA  ))

      6.000     4.200     0.000 peak   118 weight  1.00000E+00 volume  1.24803E+08 ppm1      4.884 ppm2      5.145
 ASSI {  798}
   (( segid    A and resid 15   and name  HB1 ))
   (( segid    A and resid 15   and name  HB2 ))

      4.000     2.200     0.000 peak   798 weight  1.00000E+00 volume  3.10805E+09 ppm1      3.114 ppm2      2.607
 ASSI {  170}
   (( segid    A and resid 44   and name  HA  ))
   (( segid    A and resid 33   and name  HA  ))

      5.000     3.200     0.000 peak   170 weight  1.00000E+00 volume  1.18899E+09 ppm1      4.862 ppm2      4.718
 ASSI {  889}
   (( segid    A and resid 21   and name  HA  ))
   (  segid    A and resid 37   and name  HB# )

      6.000     4.200     0.000 peak   889 weight  1.00000E+00 volume  1.61888E+08 ppm1      3.936 ppm2      1.471
 ASSI {  592}
   (( segid    A and resid 22   and name  HA2 ))
   (( segid    A and resid 23   and name  HA  ))

      6.000     4.200     0.000 peak   592 weight  1.00000E+00 volume  1.67917E+08 ppm1      4.712 ppm2      4.323
 ASSI {   12}
   (( segid    A and resid 57   and name  HD1 ))
   (( segid    A and resid 57   and name  HA  ))

      6.000     4.200     0.000 peak    12 weight  1.00000E+00 volume  1.36603E+08 ppm1      4.967 ppm2      7.207
 ASSI { 1649}
   (( segid    A and resid 62   and name  HG2 ))
   (( segid    A and resid 62   and name  HB2 ))

      5.000     3.200     0.000 peak  1649 weight  1.00000E+00 volume  3.19284E+08 ppm1      0.517 ppm2      1.791
 ASSI {  755}
   (( segid    A and resid 56   and name  HA  ))
   (  segid    A and resid 61   and name  HD1#)

      6.000     4.200     0.000 peak   755 weight  1.00000E+00 volume  6.84455E+07 ppm1      5.523 ppm2      0.854
 ASSI { 2033}
   (( segid    A and resid 34   and name  HA2 ))
   (  segid    A and resid 42   and name  HB# )

      6.000     4.200     0.000 peak  2033 weight  1.00000E+00 volume  5.10931E+07 ppm1      4.485 ppm2      1.038
 ASSI { 1481}
   (  segid    A and resid 6    and name  HB# )
   (  segid    A and resid 6    and name  HD# )

      5.000     3.200     0.000 peak  1481 weight  1.00000E+00 volume  1.72250E+09 ppm1      1.765 ppm2      3.101
 ASSI { 2645}
   (  segid    A and resid 44   and name  HD1#)
   (( segid    A and resid 33   and name  HA  ))

      6.000     4.200     0.000 peak  2645 weight  1.00000E+00 volume  3.66449E+06 ppm1      0.507 ppm2      4.696
 ASSI {  825}
   (( segid    A and resid 63   and name  HA  ))
   (( segid    A and resid 63   and name  HB2 ))

      4.000     2.200     0.000 peak   825 weight  1.00000E+00 volume  1.26795E+09 ppm1      2.951 ppm2      4.704
 ASSI { 1331}
   (( segid    A and resid 18   and name  HB1 ))
   (  segid    A and resid 13   and name  HD2#)

      6.000     4.200     0.000 peak  1331 weight  1.00000E+00 volume  6.40349E+08 ppm1      1.817 ppm2      1.039
 ASSI { 2207}
   (( segid    A and resid 13   and name  HA  ))
   (  segid    A and resid 13   and name  HD2#)

      6.000     4.200     0.000 peak  2207 weight  1.00000E+00 volume  9.65747E+08 ppm1      5.039 ppm2      0.896
 ASSI { 1522}
   (( segid    A and resid 18   and name  HB2 ))
   (( segid    A and resid 12   and name  HA  ))

      5.000     3.200     0.000 peak  1522 weight  1.00000E+00 volume  3.47384E+08 ppm1      4.914 ppm2      1.830
 ASSI {  885}
   (( segid    A and resid 38   and name  HA  ))
   (  segid    A and resid 37   and name  HB# )

      6.000     4.200     0.000 peak   885 weight  1.00000E+00 volume  1.90399E+08 ppm1      4.789 ppm2      1.477
 ASSI { 1722}
   (( segid    A and resid 58   and name  HB1 ))
   (( segid    A and resid 57   and name  HD1 ))

      5.000     3.200     0.000 peak  1722 weight  1.00000E+00 volume  2.52404E+08 ppm1      7.192 ppm2      2.557
 ASSI { 2180}
   (( segid    A and resid 49   and name  HG2 ))
   (( segid    A and resid 49   and name  HA  ))

      5.000     3.200     0.000 peak  2180 weight  1.00000E+00 volume  4.75210E+08 ppm1      3.879 ppm2      1.715
 ASSI { 1529}
   (( segid    A and resid 12   and name  HA  ))
   (( segid    A and resid 12   and name  HB1 ))

      4.000     2.200     0.000 peak  1529 weight  1.00000E+00 volume  7.85410E+09 ppm1      4.910 ppm2      1.666
 OR { 1529}
   (( segid    A and resid 12   and name  HA  ))
   (( segid    A and resid 20   and name  HB1 ))
 ASSI {  625}
   (( segid    A and resid 42   and name  HA  ))
   (( segid    A and resid 36   and name  HA  ))

      5.000     3.200     0.000 peak   625 weight  1.00000E+00 volume  7.62168E+08 ppm1      3.840 ppm2      4.991
 ASSI {  967}
   (( segid    A and resid 53   and name  HB1 ))
   (( segid    A and resid 65   and name  HB  ))

      5.000     3.200     0.000 peak   967 weight  1.00000E+00 volume  9.15442E+08 ppm1      1.528 ppm2      1.790
 ASSI { 2289}
   (( segid    A and resid 84   and name  HB1 ))
   (( segid    A and resid 84   and name  HB2 ))

      2.800     1.000     0.000 peak  2289 weight  1.00000E+00 volume  3.16604E+09 ppm1      1.802 ppm2      1.959
 ASSI { 2175}
   (( segid    A and resid 72   and name  HB  ))
   (( segid    A and resid 71   and name  HA  ))

      4.000     2.200     0.000 peak  2175 weight  1.00000E+00 volume  8.80475E+08 ppm1      1.886 ppm2      4.287
 ASSI { 2111}
   (  segid    A and resid 79   and name  HB# )
   (( segid    A and resid 79   and name  HA  ))

      5.000     3.200     0.000 peak  2111 weight  1.00000E+00 volume  1.17546E+09 ppm1      5.114 ppm2      1.500
 ASSI { 2402}
   (( segid    A and resid 45   and name  HB1 ))
   (  segid    A and resid 7    and name  HD2#)

      6.000     4.200     0.000 peak  2402 weight  1.00000E+00 volume  2.98820E+06 ppm1      3.751 ppm2      0.789
 ASSI { 1496}
   (( segid    A and resid 6    and name  HA  ))
   (( segid    A and resid 6    and name  HD1 ))

      6.000     4.200     0.000 peak  1496 weight  1.00000E+00 volume  1.36555E+08 ppm1      3.047 ppm2      5.154
 ASSI {  217}
   (( segid    A and resid 34   and name  HA2 ))
   (( segid    A and resid 44   and name  HA  ))

      6.000     4.200     0.000 peak   217 weight  1.00000E+00 volume  2.59949E+08 ppm1      4.860 ppm2      4.473
 ASSI {  945}
   (( segid    A and resid 53   and name  HA  ))
   (( segid    A and resid 27   and name  HB1 ))

      6.000     4.200     0.000 peak   945 weight  1.00000E+00 volume  2.57522E+08 ppm1      4.986 ppm2      3.923
 ASSI { 1439}
   (( segid    A and resid 64   and name  HG2 ))
   (  segid    A and resid 54   and name  HB# )

      6.000     4.200     0.000 peak  1439 weight  1.00000E+00 volume  5.87297E+07 ppm1      2.120 ppm2      3.772
 ASSI {  692}
   (( segid    A and resid 43   and name  HB1 ))
   (  segid    A and resid 7    and name  HD2#)

      6.000     4.200     0.000 peak   692 weight  1.00000E+00 volume  4.76985E+07 ppm1      3.180 ppm2      0.801
 ASSI { 1724}
   (( segid    A and resid 58   and name  HB2 ))
   (( segid    A and resid 57   and name  HA  ))

      6.000     4.200     0.000 peak  1724 weight  1.00000E+00 volume  4.68509E+07 ppm1      4.972 ppm2      2.997
 ASSI { 2256}
   (( segid    A and resid 26   and name  HB  ))
   (  segid    A and resid 25   and name  HG2#)

      6.000     4.200     0.000 peak  2256 weight  1.00000E+00 volume  3.38900E+07 ppm1      3.982 ppm2      0.752
 ASSI {  918}
   (( segid    A and resid 44   and name  HA  ))
   (( segid    A and resid 44   and name  HB2 ))

      5.000     3.200     0.000 peak   918 weight  1.00000E+00 volume  8.77770E+08 ppm1      4.859 ppm2      1.689
 ASSI { 2522}
   (( segid    A and resid 49   and name  HG1 ))
   (  segid    A and resid 48   and name  HG2#)

      6.000     4.200     0.000 peak  2522 weight  1.00000E+00 volume  4.54728E+06 ppm1      2.226 ppm2      1.200
 ASSI {  133}
   (( segid    A and resid 53   and name  HA  ))
   (( segid    A and resid 27   and name  HA  ))

      5.000     3.200     0.000 peak   133 weight  1.00000E+00 volume  4.51331E+08 ppm1      4.711 ppm2      4.964
 ASSI { 1838}
   (( segid    A and resid 18   and name  HB1 ))
   (( segid    A and resid 40   and name  HA2 ))

      5.000     3.200     0.000 peak  1838 weight  1.00000E+00 volume  8.98815E+08 ppm1      3.986 ppm2      1.835
 ASSI { 1059}
   (( segid    A and resid 10   and name  HA  ))
   (( segid    A and resid 78   and name  HA  ))

      6.000     4.200     0.000 peak  1059 weight  1.00000E+00 volume  1.32342E+08 ppm1      5.011 ppm2      4.313
 ASSI { 2438}
   (( segid    A and resid 26   and name  HA  ))
   (( segid    A and resid 30   and name  HA1 ))

      6.000     4.200     0.000 peak  2438 weight  1.00000E+00 volume  9.53787E+05 ppm1      5.439 ppm2      3.652
 ASSI {   70}
   (( segid    A and resid 26   and name  HA  ))
   (  segid    A and resid 26   and name  HG2#)

      5.000     3.200     0.000 peak    70 weight  1.00000E+00 volume  1.05266E+09 ppm1      5.437 ppm2      1.027
 ASSI { 1471}
   (  segid    A and resid 55   and name  HG2#)
   (( segid    A and resid 64   and name  HG1 ))

      6.000     4.200     0.000 peak  1471 weight  1.00000E+00 volume  4.47049E+08 ppm1      1.079 ppm2      2.315
 ASSI { 2301}
   (  segid    A and resid 79   and name  HB# )
   (( segid    A and resid 79   and name  HG  ))

      4.000     2.200     0.000 peak  2301 weight  1.00000E+00 volume  6.33247E+08 ppm1      1.535 ppm2      1.304
 ASSI { 1443}
   (( segid    A and resid 64   and name  HG1 ))
   (  segid    A and resid 61   and name  HG2#)

      6.000     4.200     0.000 peak  1443 weight  1.00000E+00 volume  2.14266E+08 ppm1      2.314 ppm2      0.718
 ASSI { 2752}
   (( segid    A and resid 41   and name  HB1 ))
   (  segid    A and resid 41   and name  HD2#)

      5.000     3.200     0.000 peak  2752 weight  1.00000E+00 volume  2.26387E+07 ppm1      1.634 ppm2      0.772
 ASSI { 1604}
   (  segid    A and resid 18   and name  HB# )
   (( segid    A and resid 40   and name  HA2 ))

      6.000     4.200     0.000 peak  1604 weight  1.00000E+00 volume  2.95311E+08 ppm1      1.806 ppm2      3.982
 ASSI { 1002}
   (( segid    A and resid 53   and name  HA  ))
   (( segid    A and resid 31   and name  HB2 ))

      6.000     4.200     0.000 peak  1002 weight  1.00000E+00 volume  1.40079E+08 ppm1      4.986 ppm2      1.812
 ASSI { 1827}
   (  segid    A and resid 25   and name  HG1#)
   (( segid    A and resid 24   and name  HB2 ))

      6.000     4.200     0.000 peak  1827 weight  1.00000E+00 volume  4.48803E+08 ppm1      3.889 ppm2      0.681
 ASSI { 2036}
   (( segid    A and resid 34   and name  HA1 ))
   (( segid    A and resid 35   and name  HB2 ))

      6.000     4.200     0.000 peak  2036 weight  1.00000E+00 volume  2.11970E+08 ppm1      4.086 ppm2      1.822
 ASSI { 2497}
   (( segid    A and resid 69   and name  HA  ))
   (( segid    A and resid 69   and name  HB1 ))

      4.000     2.200     0.000 peak  2497 weight  1.00000E+00 volume  1.95871E+07 ppm1      3.858 ppm2      1.974
 ASSI { 1837}
   (  segid    A and resid 38   and name  HB# )
   (( segid    A and resid 39   and name  HG2 ))

      5.000     3.200     0.000 peak  1837 weight  1.00000E+00 volume  2.79329E+08 ppm1      2.175 ppm2      2.757
 ASSI { 2320}
   (( segid    A and resid 80   and name  HD1 ))
   (( segid    A and resid 80   and name  HG1 ))

      4.000     2.200     0.000 peak  2320 weight  1.00000E+00 volume  1.33101E+09 ppm1      1.991 ppm2      3.834
 ASSI { 1633}
   (( segid    A and resid 62   and name  HB2 ))
   (( segid    A and resid 62   and name  HA  ))

      5.000     3.200     0.000 peak  1633 weight  1.00000E+00 volume  2.89279E+08 ppm1      0.509 ppm2      4.031
 ASSI { 1136}
   (  segid    A and resid 25   and name  HG2#)
   (( segid    A and resid 25   and name  HB  ))

      4.000     2.200     0.000 peak  1136 weight  1.00000E+00 volume  3.24863E+09 ppm1      0.761 ppm2      1.748
 ASSI { 1093}
   (  segid    A and resid 61   and name  HG2#)
   (  segid    A and resid 61   and name  HD1#)

      5.000     3.200     0.000 peak  1093 weight  1.00000E+00 volume  2.23406E+09 ppm1      0.730 ppm2      0.841
 ASSI { 2134}
   (  segid    A and resid 44   and name  HD1#)
   (( segid    A and resid 33   and name  HB1 ))

      5.000     3.200     0.000 peak  2134 weight  1.00000E+00 volume  5.05590E+08 ppm1      0.506 ppm2      1.406
 ASSI { 1744}
   (( segid    A and resid 58   and name  HB1 ))
   (( segid    A and resid 58   and name  HA  ))

      4.000     2.200     0.000 peak  1744 weight  1.00000E+00 volume  8.03576E+08 ppm1      2.553 ppm2      4.423
 ASSI {  267}
   (( segid    A and resid 73   and name  HA  ))
   (  segid    A and resid 73   and name  HB# )

      4.000     2.200     0.000 peak   267 weight  1.00000E+00 volume  1.51378E+09 ppm1      3.930 ppm2      4.541
 ASSI { 1164}
   (  segid    A and resid 55   and name  HG1#)
   (( segid    A and resid 64   and name  HA  ))

      6.000     4.200     0.000 peak  1164 weight  1.00000E+00 volume  1.98841E+08 ppm1      0.859 ppm2      5.480
 ASSI { 1305}
   (( segid    A and resid 62   and name  HG1 ))
   (( segid    A and resid 57   and name  HZ2 ))

      6.000     4.200     0.000 peak  1305 weight  1.00000E+00 volume  1.15532E+07 ppm1      7.412 ppm2      0.202
 ASSI { 2197}
   (( segid    A and resid 65   and name  HB  ))
   (( segid    A and resid 53   and name  HG  ))

      5.000     3.200     0.000 peak  2197 weight  1.00000E+00 volume  7.90937E+08 ppm1      1.798 ppm2      1.527
 ASSI { 2254}
   (( segid    A and resid 26   and name  HB  ))
   (( segid    A and resid 30   and name  HA1 ))

      5.000     3.200     0.000 peak  2254 weight  1.00000E+00 volume  2.94943E+08 ppm1      3.985 ppm2      3.635
 ASSI { 1084}
   (( segid    A and resid 61   and name  HG11))
   (( segid    A and resid 56   and name  HB1 ))

      6.000     4.200     0.000 peak  1084 weight  1.00000E+00 volume  3.54518E+07 ppm1      1.022 ppm2      2.734
 ASSI { 1427}
   (( segid    A and resid 64   and name  HG2 ))
   (( segid    A and resid 65   and name  HA  ))

      6.000     4.200     0.000 peak  1427 weight  1.00000E+00 volume  1.34037E+07 ppm1      2.118 ppm2      4.708
 ASSI { 1361}
   (  segid    A and resid 13   and name  HD2#)
   (( segid    A and resid 57   and name  HH2 ))

      6.000     4.200     0.000 peak  1361 weight  1.00000E+00 volume  2.77509E+08 ppm1      6.983 ppm2      0.889
 ASSI { 1336}
   (( segid    A and resid 20   and name  HD2 ))
   (( segid    A and resid 19   and name  HA  ))

      4.000     2.200     0.000 peak  1336 weight  1.00000E+00 volume  1.29169E+09 ppm1      3.652 ppm2      1.312
 ASSI { 2246}
   (( segid    A and resid 20   and name  HD1 ))
   (  segid    A and resid 23   and name  HB# )

      6.000     4.200     0.000 peak  2246 weight  1.00000E+00 volume  8.41899E+07 ppm1      1.374 ppm2      2.136
 ASSI { 2223}
   (  segid    A and resid 13   and name  HD2#)
   (( segid    A and resid 17   and name  HA  ))

      6.000     4.200     0.000 peak  2223 weight  1.00000E+00 volume  6.94588E+07 ppm1      4.433 ppm2      0.903
 ASSI { 2367}
   (  segid    A and resid 13   and name  HD2#)
   (( segid    A and resid 20   and name  HA  ))

      6.000     4.200     0.000 peak  2367 weight  1.00000E+00 volume  5.11097E+08 ppm1      4.142 ppm2      0.955
 ASSI {   91}
   (( segid    A and resid 49   and name  HD2 ))
   (( segid    A and resid 48   and name  HA  ))

      4.000     2.200     0.000 peak    91 weight  1.00000E+00 volume  1.07910E+09 ppm1      4.680 ppm2      3.736
 ASSI {  705}
   (( segid    A and resid 43   and name  HA  ))
   (  segid    A and resid 7    and name  HD2#)

      6.000     4.200     0.000 peak   705 weight  1.00000E+00 volume  2.02185E+08 ppm1      5.041 ppm2      0.766
 ASSI {  901}
   (( segid    A and resid 31   and name  HA  ))
   (( segid    A and resid 31   and name  HB2 ))

      4.000     2.200     0.000 peak   901 weight  1.00000E+00 volume  7.93782E+08 ppm1      1.781 ppm2      4.379
 ASSI { 1340}
   (( segid    A and resid 20   and name  HB1 ))
   (( segid    A and resid 19   and name  HA  ))

      5.000     3.200     0.000 peak  1340 weight  1.00000E+00 volume  5.56543E+08 ppm1      3.652 ppm2      1.703
 ASSI { 2137}
   (( segid    A and resid 44   and name  HA  ))
   (  segid    A and resid 44   and name  HD1#)

      4.000     2.200     0.000 peak  2137 weight  1.00000E+00 volume  1.18192E+09 ppm1      0.506 ppm2      4.860
 ASSI { 1370}
   (( segid    A and resid 8    and name  HA  ))
   (( segid    A and resid 8    and name  HB2 ))

      5.000     3.200     0.000 peak  1370 weight  1.00000E+00 volume  4.35762E+08 ppm1      5.008 ppm2      2.753
 ASSI {  607}
   (( segid    A and resid 57   and name  HA  ))
   (( segid    A and resid 60   and name  HG2 ))

      6.000     4.200     0.000 peak   607 weight  1.00000E+00 volume  1.48550E+08 ppm1      4.967 ppm2      0.984
 ASSI { 2029}
   (( segid    A and resid 34   and name  HA2 ))
   (  segid    A and resid 25   and name  HG2#)

      6.000     4.200     0.000 peak  2029 weight  1.00000E+00 volume  8.81943E+07 ppm1      4.480 ppm2      0.765
 ASSI {  986}
   (  segid    A and resid 13   and name  HD1#)
   (( segid    A and resid 57   and name  HH2 ))

      5.000     3.200     0.000 peak   986 weight  1.00000E+00 volume  5.44592E+08 ppm1      1.082 ppm2      6.984
 ASSI {  998}
   (( segid    A and resid 53   and name  HA  ))
   (( segid    A and resid 53   and name  HG  ))

      6.000     4.200     0.000 peak   998 weight  1.00000E+00 volume  1.07551E+09 ppm1      1.578 ppm2      4.964
 ASSI { 2191}
   (  segid    A and resid 47   and name  HG2#)
   (( segid    A and resid 47   and name  HB  ))

      4.000     2.200     0.000 peak  2191 weight  1.00000E+00 volume  2.29638E+09 ppm1      1.845 ppm2      0.776
 ASSI {  883}
   (( segid    A and resid 38   and name  HB1 ))
   (( segid    A and resid 38   and name  HA  ))

      4.000     2.200     0.000 peak   883 weight  1.00000E+00 volume  2.13827E+09 ppm1      4.791 ppm2      2.801
 ASSI { 2797}
   (  segid    A and resid 53   and name  HD1#)
   (  segid    A and resid 47   and name  HG2#)

      6.000     4.200     0.000 peak  2797 weight  1.00000E+00 volume  1.79490E+07 ppm1      0.798 ppm2      0.470
 ASSI {  670}
   (( segid    A and resid 80   and name  HA  ))
   (( segid    A and resid 80   and name  HG1 ))

      5.000     3.200     0.000 peak   670 weight  1.00000E+00 volume  5.35535E+08 ppm1      4.886 ppm2      1.987
 ASSI { 2637}
   (( segid    A and resid 44   and name  HB1 ))
   (( segid    A and resid 33   and name  HB1 ))

      6.000     4.200     0.000 peak  2637 weight  1.00000E+00 volume  2.58448E+06 ppm1      0.955 ppm2      1.442
 ASSI { 2746}
   (  segid    A and resid 39   and name  HG# )
   (( segid    A and resid 39   and name  HB1 ))

      2.800     1.000     0.000 peak  2746 weight  1.00000E+00 volume  6.61433E+07 ppm1      2.275 ppm2      2.169
 ASSI { 2602}
   (( segid    A and resid 33   and name  HB1 ))
   (  segid    A and resid 33   and name  HD2#)

      5.000     3.200     0.000 peak  2602 weight  1.00000E+00 volume  2.72824E+07 ppm1      1.406 ppm2      1.788
 ASSI { 1661}
   (  segid    A and resid 35   and name  HG# )
   (( segid    A and resid 35   and name  HA  ))

      5.000     3.200     0.000 peak  1661 weight  1.00000E+00 volume  4.58296E+08 ppm1      5.286 ppm2      2.336
 ASSI {  671}
   (( segid    A and resid 80   and name  HB1 ))
   (( segid    A and resid 80   and name  HA  ))

      4.000     2.200     0.000 peak   671 weight  1.00000E+00 volume  8.05728E+08 ppm1      4.885 ppm2      1.842
 ASSI { 1917}
   (( segid    A and resid 60   and name  HB1 ))
   (( segid    A and resid 60   and name  HG1 ))

      4.000     2.200     0.000 peak  1917 weight  1.00000E+00 volume  1.31942E+09 ppm1      1.191 ppm2      1.489
 ASSI { 2241}
   (( segid    A and resid 35   and name  HB1 ))
   (  segid    A and resid 23   and name  HB# )

      5.000     3.200     0.000 peak  2241 weight  1.00000E+00 volume  1.15797E+09 ppm1      1.374 ppm2      1.815
 ASSI { 2061}
   (( segid    A and resid 51   and name  HA  ))
   (( segid    A and resid 67   and name  HB  ))

      6.000     4.200     0.000 peak  2061 weight  1.00000E+00 volume  2.22415E+07 ppm1      4.528 ppm2      2.216
 ASSI {  688}
   (( segid    A and resid 43   and name  HZ2 ))
   (( segid    A and resid 43   and name  HB1 ))

      6.000     4.200     0.000 peak   688 weight  1.00000E+00 volume  3.61112E+08 ppm1      3.197 ppm2      7.302
 ASSI { 1571}
   (( segid    A and resid 61   and name  HG11))
   (( segid    A and resid 56   and name  HB2 ))

      6.000     4.200     0.000 peak  1571 weight  1.00000E+00 volume  1.00823E+08 ppm1      2.442 ppm2      1.037
! ASSI { 1686}
!   (  segid    A and resid 25   and name  HG1#)
!   (( segid    A and resid 35   and name  HB2 ))
!
!      6.000     4.200     0.000 peak  1686 weight  1.00000E+00 volume  1.01021E+08 ppm1      1.846 ppm2      0.667
 ASSI { 1507}
   (( segid    A and resid 6    and name  HD1 ))
   (  segid    A and resid 7    and name  HD2#)

      6.000     4.200     0.000 peak  1507 weight  1.00000E+00 volume  2.04970E+08 ppm1      3.048 ppm2      0.775
 ASSI { 1953}
   (( segid    A and resid 8    and name  HA  ))
   (( segid    A and resid 43   and name  HD1 ))

      6.000     4.200     0.000 peak  1953 weight  1.00000E+00 volume  4.44775E+08 ppm1      5.008 ppm2      6.759
 ASSI { 1189}
   (( segid    A and resid 45   and name  HB2 ))
   (( segid    A and resid 45   and name  HA  ))

      5.000     3.200     0.000 peak  1189 weight  1.00000E+00 volume  7.93186E+08 ppm1      4.733 ppm2      3.634
 ASSI { 2871}
   (( segid    A and resid 62   and name  HB2 ))
   (( segid    A and resid 57   and name  HZ2 ))

      6.000     4.200     0.000 peak  2871 weight  1.00000E+00 volume  1.19320E+06 ppm1      7.413 ppm2      0.530
 ASSI { 1221}
   (( segid    A and resid 64   and name  HG1 ))
   (( segid    A and resid 54   and name  HA  ))

      4.000     2.200     0.000 peak  1221 weight  1.00000E+00 volume  8.45528E+08 ppm1      5.013 ppm2      2.308
 ASSI { 1341}
   (( segid    A and resid 18   and name  HB1 ))
   (( segid    A and resid 19   and name  HA  ))

      4.000     2.200     0.000 peak  1341 weight  1.00000E+00 volume  8.56599E+08 ppm1      3.656 ppm2      1.835
 ASSI {  954}
   (( segid    A and resid 53   and name  HB1 ))
   (( segid    A and resid 53   and name  HB2 ))

      4.000     2.200     0.000 peak   954 weight  1.00000E+00 volume  4.88770E+08 ppm1      1.523 ppm2      1.304
 ASSI { 2814}
   (( segid    A and resid 38   and name  HB2 ))
   (  segid    A and resid 37   and name  HB# )

      6.000     4.200     0.000 peak  2814 weight  1.00000E+00 volume  1.51967E+06 ppm1      2.706 ppm2      1.497
 ASSI { 2596}
   (( segid    A and resid 57   and name  HD1 ))
   (( segid    A and resid 58   and name  HA  ))

      6.000     4.200     0.000 peak  2596 weight  1.00000E+00 volume  2.94166E+06 ppm1      4.421 ppm2      7.194
 ASSI {  627}
   (( segid    A and resid 80   and name  HD1 ))
   (( segid    A and resid 79   and name  HA  ))

      4.000     2.200     0.000 peak   627 weight  1.00000E+00 volume  2.19140E+09 ppm1      5.111 ppm2      3.834
 OR {  627}
   (( segid    A and resid 80   and name  HD1 ))
   (( segid    A and resid 81   and name  HA  ))
 ASSI { 2315}
   (( segid    A and resid 80   and name  HG1 ))
   (( segid    A and resid 80   and name  HG2 ))

      4.000     2.200     0.000 peak  2315 weight  1.00000E+00 volume  2.01991E+09 ppm1      2.207 ppm2      1.988
 ASSI { 1707}
   (  segid    A and resid 25   and name  HG2#)
   (( segid    A and resid 32   and name  HA  ))

      6.000     4.200     0.000 peak  1707 weight  1.00000E+00 volume  4.19750E+07 ppm1      4.431 ppm2      0.766
 ASSI { 2826}
   (( segid    A and resid 56   and name  HA  ))
   (( segid    A and resid 62   and name  HA  ))

      6.000     4.200     0.000 peak  2826 weight  1.00000E+00 volume  1.29173E+06 ppm1      4.036 ppm2      5.520
 ASSI {  870}
   (( segid    A and resid 38   and name  HA  ))
   (( segid    A and resid 37   and name  HA  ))

      6.000     4.200     0.000 peak   870 weight  1.00000E+00 volume  1.05505E+08 ppm1      4.202 ppm2      4.801
 ASSI {  782}
   (  segid    A and resid 36   and name  HG2#)
   (( segid    A and resid 36   and name  HA  ))

      5.000     3.200     0.000 peak   782 weight  1.00000E+00 volume  1.85185E+09 ppm1      0.691 ppm2      3.845
 ASSI {   38}
   (( segid    A and resid 13   and name  HA  ))
   (  segid    A and resid 13   and name  HD1#)

      4.000     2.200     0.000 peak    38 weight  1.00000E+00 volume  9.01877E+08 ppm1      5.035 ppm2      1.080
 ASSI { 1315}
   (( segid    A and resid 18   and name  HB1 ))
   (( segid    A and resid 57   and name  HZ3 ))

      6.000     4.200     0.000 peak  1315 weight  1.00000E+00 volume  9.38890E+07 ppm1      6.816 ppm2      1.821
 ASSI { 1919}
   (( segid    A and resid 60   and name  HB2 ))
   (( segid    A and resid 60   and name  HG2 ))

      5.000     3.200     0.000 peak  1919 weight  1.00000E+00 volume  1.64212E+09 ppm1      1.015 ppm2      1.632
 ASSI { 1067}
   (( segid    A and resid 61   and name  HB  ))
   (  segid    A and resid 61   and name  HD1#)

      4.000     2.200     0.000 peak  1067 weight  1.00000E+00 volume  5.70036E+09 ppm1      1.632 ppm2      0.839
 ASSI { 2631}
   (( segid    A and resid 44   and name  HB1 ))
   (  segid    A and resid 25   and name  HG2#)

      5.000     3.200     0.000 peak  2631 weight  1.00000E+00 volume  1.68490E+07 ppm1      0.959 ppm2      0.759
 ASSI { 2221}
   (( segid    A and resid 81   and name  HB2 ))
   (  segid    A and resid 13   and name  HD2#)

      6.000     4.200     0.000 peak  2221 weight  1.00000E+00 volume  1.51078E+08 ppm1      3.304 ppm2      0.897
 ASSI { 1165}
   (  segid    A and resid 55   and name  HG1#)
   (( segid    A and resid 65   and name  HA  ))

      6.000     4.200     0.000 peak  1165 weight  1.00000E+00 volume  1.58480E+08 ppm1      0.858 ppm2      4.697
 ASSI { 1566}
   (( segid    A and resid 24   and name  HB1 ))
   (( segid    A and resid 56   and name  HB2 ))

      6.000     4.200     0.000 peak  1566 weight  1.00000E+00 volume  2.46010E+08 ppm1      2.440 ppm2      3.976
 ASSI { 1692}
   (( segid    A and resid 28   and name  HG1 ))
   (( segid    A and resid 28   and name  HA  ))

      4.000     2.200     0.000 peak  1692 weight  1.00000E+00 volume  1.80521E+09 ppm1      4.198 ppm2      2.416
 ASSI { 1533}
   (( segid    A and resid 12   and name  HB2 ))
   (( segid    A and resid 12   and name  HD1 ))

      5.000     3.200     0.000 peak  1533 weight  1.00000E+00 volume  3.87382E+08 ppm1      1.602 ppm2      3.045
 ASSI { 1110}
   (( segid    A and resid 54   and name  HB1 ))
   (( segid    A and resid 54   and name  HB2 ))

      2.800     1.000     0.000 peak  1110 weight  1.00000E+00 volume  7.08334E+09 ppm1      3.745 ppm2      3.809
 ASSI { 2019}
   (( segid    A and resid 34   and name  HA1 ))
   (( segid    A and resid 34   and name  HA2 ))

      4.000     2.200     0.000 peak  2019 weight  1.00000E+00 volume  3.41324E+09 ppm1      4.066 ppm2      4.473
 ASSI { 1216}
   (( segid    A and resid 64   and name  HG1 ))
   (( segid    A and resid 64   and name  HA  ))

      4.000     2.200     0.000 peak  1216 weight  1.00000E+00 volume  7.29237E+08 ppm1      5.479 ppm2      2.309
 ASSI { 1071}
   (  segid    A and resid 61   and name  HD1#)
   (( segid    A and resid 56   and name  HB1 ))

      6.000     4.200     0.000 peak  1071 weight  1.00000E+00 volume  8.13252E+07 ppm1      0.851 ppm2      2.735
 ASSI { 2255}
   (( segid    A and resid 26   and name  HB  ))
   (  segid    A and resid 26   and name  HG2#)

      5.000     3.200     0.000 peak  2255 weight  1.00000E+00 volume  1.25254E+09 ppm1      3.982 ppm2      1.028
 ASSI { 2470}
   (( segid    A and resid 46   and name  HA1 ))
   (  segid    A and resid 33   and name  HD1#)

      6.000     4.200     0.000 peak  2470 weight  1.00000E+00 volume  6.97061E+06 ppm1      4.014 ppm2      0.803
 ASSI { 1739}
   (( segid    A and resid 58   and name  HB2 ))
   (( segid    A and resid 58   and name  HA  ))

      4.000     2.200     0.000 peak  1739 weight  1.00000E+00 volume  8.70360E+08 ppm1      3.014 ppm2      4.423
 ASSI { 1487}
   (( segid    A and resid 6    and name  HG1 ))
   (  segid    A and resid 7    and name  HD2#)

      6.000     4.200     0.000 peak  1487 weight  1.00000E+00 volume  1.57101E+09 ppm1      1.509 ppm2      0.799
 ASSI { 1772}
   (( segid    A and resid 57   and name  HB2 ))
   (( segid    A and resid 57   and name  HE3 ))

      6.000     4.200     0.000 peak  1772 weight  1.00000E+00 volume  8.23480E+08 ppm1      3.319 ppm2      7.306
 ASSI { 1658}
   (( segid    A and resid 22   and name  HA1 ))
   (( segid    A and resid 35   and name  HA  ))

      6.000     4.200     0.000 peak  1658 weight  1.00000E+00 volume  2.67616E+07 ppm1      5.286 ppm2      3.482
 ASSI { 2651}
   (  segid    A and resid 44   and name  HD2#)
   (( segid    A and resid 33   and name  HA  ))

      6.000     4.200     0.000 peak  2651 weight  1.00000E+00 volume  1.27930E+06 ppm1      0.560 ppm2      4.703
 ASSI {  898}
   (( segid    A and resid 31   and name  HB1 ))
   (  segid    A and resid 31   and name  HD# )

      5.000     3.200     0.000 peak   898 weight  1.00000E+00 volume  4.84353E+08 ppm1      1.677 ppm2      3.158
 ASSI {  144}
   (( segid    A and resid 27   and name  HB2 ))
   (( segid    A and resid 27   and name  HA  ))

      4.000     2.200     0.000 peak   144 weight  1.00000E+00 volume  1.43815E+09 ppm1      4.711 ppm2      4.845
 ASSI {   79}
   (( segid    A and resid 6    and name  HA  ))
   (( segid    A and resid 45   and name  HA  ))

      4.000     2.200     0.000 peak    79 weight  1.00000E+00 volume  1.19257E+09 ppm1      4.732 ppm2      5.150
 ASSI { 2877}
   (( segid    A and resid 62   and name  HG1 ))
   (( segid    A and resid 57   and name  HZ3 ))

      6.000     4.200     0.000 peak  2877 weight  1.00000E+00 volume  1.24427E+06 ppm1      0.227 ppm2      6.813
 ASSI { 1099}
   (( segid    A and resid 61   and name  HG11))
   (  segid    A and resid 54   and name  HB# )

      5.000     3.200     0.000 peak  1099 weight  1.00000E+00 volume  2.55609E+08 ppm1      3.802 ppm2      1.031
 ASSI { 2240}
   (( segid    A and resid 36   and name  HB  ))
   (  segid    A and resid 23   and name  HB# )

      5.000     3.200     0.000 peak  2240 weight  1.00000E+00 volume  1.19820E+09 ppm1      1.374 ppm2      1.950
 ASSI { 1895}
   (( segid    A and resid 60   and name  HB1 ))
   (( segid    A and resid 60   and name  HA  ))

      5.000     3.200     0.000 peak  1895 weight  1.00000E+00 volume  8.34151E+08 ppm1      1.478 ppm2      4.625
! ASSI { 1183}
!   (( segid    A and resid 61   and name  HG11))
!   (( segid    A and resid 24   and name  HA  ))
!
!      6.000     4.200     0.000 peak  1183 weight  1.00000E+00 volume  5.73304E+07 ppm1      4.952 ppm2      1.029
 ASSI { 1704}
   (  segid    A and resid 32   and name  HB# )
   (( segid    A and resid 32   and name  HA  ))

      4.000     2.200     0.000 peak  1704 weight  1.00000E+00 volume  1.26056E+09 ppm1      4.426 ppm2      2.103
 ASSI { 1679}
   (  segid    A and resid 35   and name  HG# )
   (( segid    A and resid 22   and name  HA1 ))

      6.000     4.200     0.000 peak  1679 weight  1.00000E+00 volume  8.16520E+07 ppm1      2.315 ppm2      3.506
 ASSI { 1176}
   (( segid    A and resid 42   and name  HA  ))
   (( segid    A and resid 41   and name  HB1 ))

      6.000     4.200     0.000 peak  1176 weight  1.00000E+00 volume  1.46484E+08 ppm1      4.993 ppm2      1.605
 ASSI { 2481}
   (( segid    A and resid 21   and name  HB1 ))
   (  segid    A and resid 37   and name  HB# )

      6.000     4.200     0.000 peak  2481 weight  1.00000E+00 volume  1.41268E+06 ppm1      2.922 ppm2      1.502
 ASSI { 1832}
   (( segid    A and resid 38   and name  HB1 ))
   (  segid    A and resid 39   and name  HG# )

      5.000     3.200     0.000 peak  1832 weight  1.00000E+00 volume  4.75537E+08 ppm1      2.785 ppm2      2.196
 ASSI { 1573}
   (  segid    A and resid 61   and name  HD1#)
   (( segid    A and resid 56   and name  HB2 ))

      6.000     4.200     0.000 peak  1573 weight  1.00000E+00 volume  4.32672E+07 ppm1      2.435 ppm2      0.855
 ASSI { 2232}
   (  segid    A and resid 21   and name  HD# )
   (( segid    A and resid 22   and name  HA1 ))

      6.000     4.200     0.000 peak  2232 weight  1.00000E+00 volume  9.31208E+07 ppm1      3.494 ppm2      7.046
 ASSI { 1818}
   (  segid    A and resid 35   and name  HG# )
   (( segid    A and resid 24   and name  HB2 ))

      6.000     4.200     0.000 peak  1818 weight  1.00000E+00 volume  1.84930E+09 ppm1      3.886 ppm2      2.352
 ASSI { 2325}
   (( segid    A and resid 80   and name  HB1 ))
   (( segid    A and resid 80   and name  HG1 ))

      4.000     2.200     0.000 peak  2325 weight  1.00000E+00 volume  5.51715E+08 ppm1      1.997 ppm2      1.853
 ASSI { 1478}
   (( segid    A and resid 6    and name  HA  ))
   (  segid    A and resid 6    and name  HD# )

      6.000     4.200     0.000 peak  1478 weight  1.00000E+00 volume  1.53629E+08 ppm1      5.147 ppm2      3.090
 ASSI { 2650}
   (( segid    A and resid 44   and name  HB1 ))
   (  segid    A and resid 44   and name  HD1#)

      5.000     3.200     0.000 peak  2650 weight  1.00000E+00 volume  2.45272E+07 ppm1      0.506 ppm2      0.969
 ASSI { 1020}
   (( segid    A and resid 10   and name  HA  ))
   (  segid    A and resid 10   and name  HG2#)

      5.000     3.200     0.000 peak  1020 weight  1.00000E+00 volume  4.00284E+08 ppm1      0.726 ppm2      4.297
 ASSI {  795}
   (( segid    A and resid 81   and name  HB1 ))
   (  segid    A and resid 65   and name  HG2#)

      5.000     3.200     0.000 peak   795 weight  1.00000E+00 volume  4.67215E+08 ppm1      0.720 ppm2      2.650
 ASSI { 1519}
   (( segid    A and resid 12   and name  HA  ))
   (( segid    A and resid 12   and name  HD2 ))

      4.000     2.200     0.000 peak  1519 weight  1.00000E+00 volume  7.39492E+08 ppm1      4.913 ppm2      3.212
 ASSI { 1671}
   (( segid    A and resid 35   and name  HG1 ))
   (( segid    A and resid 35   and name  HG2 ))

      2.500     0.700     0.000 peak  1671 weight  1.00000E+00 volume  2.23660E+10 ppm1      2.358 ppm2      2.323
 ASSI { 2550}
   (( segid    A and resid 49   and name  HG2 ))
   (( segid    A and resid 49   and name  HD1 ))

      5.000     3.200     0.000 peak  2550 weight  1.00000E+00 volume  6.48106E+06 ppm1      1.717 ppm2      4.025
 ASSI { 1053}
   (( segid    A and resid 33   and name  HA  ))
   (  segid    A and resid 33   and name  HD2#)

      5.000     3.200     0.000 peak  1053 weight  1.00000E+00 volume  1.70376E+09 ppm1      4.687 ppm2      1.785
 ASSI { 2365}
   (( segid    A and resid 21   and name  HB1 ))
   (( segid    A and resid 20   and name  HA  ))

      6.000     4.200     0.000 peak  2365 weight  1.00000E+00 volume  1.27553E+08 ppm1      4.145 ppm2      2.911
 ASSI { 1369}
   (  segid    A and resid 21   and name  HD# )
   (  segid    A and resid 37   and name  HB# )

      6.000     4.200     0.000 peak  1369 weight  1.00000E+00 volume  8.07596E+07 ppm1      7.036 ppm2      1.495
 ASSI { 2776}
   (( segid    A and resid 10   and name  HA  ))
   (( segid    A and resid 41   and name  HB1 ))

      6.000     4.200     0.000 peak  2776 weight  1.00000E+00 volume  1.52843E+06 ppm1      1.633 ppm2      4.299
 ASSI {  874}
   (( segid    A and resid 35   and name  HB1 ))
   (( segid    A and resid 37   and name  HA  ))

      6.000     4.200     0.000 peak   874 weight  1.00000E+00 volume  1.93814E+08 ppm1      4.201 ppm2      1.854
 ASSI { 1131}
   (  segid    A and resid 25   and name  HG1#)
   (  segid    A and resid 44   and name  HD1#)

      5.000     3.200     0.000 peak  1131 weight  1.00000E+00 volume  1.02088E+09 ppm1      0.672 ppm2      0.514
 ASSI {  936}
   (( segid    A and resid 57   and name  HA  ))
   (( segid    A and resid 57   and name  HE3 ))

      6.000     4.200     0.000 peak   936 weight  1.00000E+00 volume  3.77367E+08 ppm1      4.967 ppm2      7.299
 ASSI { 2519}
   (( segid    A and resid 49   and name  HG1 ))
   (( segid    A and resid 49   and name  HG2 ))

      4.000     2.200     0.000 peak  2519 weight  1.00000E+00 volume  3.23218E+07 ppm1      2.226 ppm2      1.709
 ASSI { 1359}
   (  segid    A and resid 13   and name  HD# )
   (( segid    A and resid 57   and name  HH2 ))

      6.000     4.200     0.000 peak  1359 weight  1.00000E+00 volume  4.35034E+08 ppm1      6.981 ppm2      1.069
 ASSI {  902}
   (( segid    A and resid 31   and name  HA  ))
   (( segid    A and resid 31   and name  HB1 ))

      4.000     2.200     0.000 peak   902 weight  1.00000E+00 volume  8.50927E+08 ppm1      1.679 ppm2      4.381
 ASSI { 2484}
   (( segid    A and resid 10   and name  HA  ))
   (( segid    A and resid 41   and name  HA  ))

      4.000     2.200     0.000 peak  2484 weight  1.00000E+00 volume  1.74358E+07 ppm1      4.300 ppm2      4.683
 ASSI { 1623}
   (( segid    A and resid 40   and name  HA1 ))
   (  segid    A and resid 18   and name  HG# )

      5.000     3.200     0.000 peak  1623 weight  1.00000E+00 volume  3.63763E+08 ppm1      2.260 ppm2      3.231
 ASSI {  736}
   (  segid    A and resid 82   and name  HG2#)
   (( segid    A and resid 82   and name  HA  ))

      5.000     3.200     0.000 peak   736 weight  1.00000E+00 volume  9.99687E+08 ppm1      1.288 ppm2      4.940
 ASSI { 1061}
   (  segid    A and resid 36   and name  HG1#)
   (( segid    A and resid 36   and name  HA  ))

      5.000     3.200     0.000 peak  1061 weight  1.00000E+00 volume  2.18073E+09 ppm1      3.841 ppm2      0.694
 ASSI { 2717}
   (( segid    A and resid 52   and name  HA  ))
   (( segid    A and resid 51   and name  HG1 ))

      6.000     4.200     0.000 peak  2717 weight  1.00000E+00 volume  3.48157E+06 ppm1      5.078 ppm2      2.547
 ASSI { 1968}
   (( segid    A and resid 13   and name  HB1 ))
   (( segid    A and resid 13   and name  HB2 ))

      4.000     2.200     0.000 peak  1968 weight  1.00000E+00 volume  7.19738E+09 ppm1      1.929 ppm2      1.928
 ASSI { 1969}
   (  segid    A and resid 13   and name  HD1#)
   (( segid    A and resid 13   and name  HB1 ))

      6.000     4.200     0.000 peak  1969 weight  1.00000E+00 volume  3.64884E+08 ppm1      1.930 ppm2      1.082
 ASSI {  978}
   (  segid    A and resid 53   and name  HD2#)
   (  segid    A and resid 53   and name  HD1#)

      5.000     3.200     0.000 peak   978 weight  1.00000E+00 volume  1.44549E+09 ppm1      0.699 ppm2      0.470
 ASSI { 2074}
   (( segid    A and resid 48   and name  HA  ))
   (( segid    A and resid 48   and name  HB  ))

      5.000     3.200     0.000 peak  2074 weight  1.00000E+00 volume  4.51130E+08 ppm1      3.924 ppm2      4.681
 ASSI { 1674}
   (( segid    A and resid 35   and name  HG1 ))
   (  segid    A and resid 35   and name  HB# )

      4.000     2.200     0.000 peak  1674 weight  1.00000E+00 volume  1.35166E+09 ppm1      2.317 ppm2      1.834
 ASSI { 1314}
   (( segid    A and resid 81   and name  HB1 ))
   (  segid    A and resid 13   and name  HD1#)

      6.000     4.200     0.000 peak  1314 weight  1.00000E+00 volume  3.40157E+08 ppm1      1.083 ppm2      2.648
 ASSI { 1226}
   (  segid    A and resid 61   and name  HG2#)
   (( segid    A and resid 64   and name  HA  ))

      6.000     4.200     0.000 peak  1226 weight  1.00000E+00 volume  2.78060E+08 ppm1      5.477 ppm2      0.718
 ASSI { 2285}
   (( segid    A and resid 84   and name  HB1 ))
   (( segid    A and resid 84   and name  HA  ))

      4.000     2.200     0.000 peak  2285 weight  1.00000E+00 volume  7.70121E+08 ppm1      4.208 ppm2      1.960
 ASSI {   27}
   (( segid    A and resid 43   and name  HB2 ))
   (( segid    A and resid 43   and name  HA  ))

      5.000     3.200     0.000 peak    27 weight  1.00000E+00 volume  6.16051E+08 ppm1      5.041 ppm2      2.930
 ASSI {  840}
   (( segid    A and resid 63   and name  HB1 ))
   (( segid    A and resid 55   and name  HB  ))

      6.000     4.200     0.000 peak   840 weight  1.00000E+00 volume  4.80480E+07 ppm1      3.389 ppm2      2.381
 ASSI {  892}
   (( segid    A and resid 21   and name  HA  ))
   (  segid    A and resid 21   and name  HE# )

      6.000     4.200     0.000 peak   892 weight  1.00000E+00 volume  6.50041E+07 ppm1      3.926 ppm2      7.324
 ASSI { 2228}
   (( segid    A and resid 35   and name  HG2 ))
   (( segid    A and resid 22   and name  HA1 ))

      6.000     4.200     0.000 peak  2228 weight  1.00000E+00 volume  1.63268E+08 ppm1      3.512 ppm2      2.343
 ASSI { 1445}
   (( segid    A and resid 64   and name  HB1 ))
   (( segid    A and resid 64   and name  HG1 ))

      4.000     2.200     0.000 peak  1445 weight  1.00000E+00 volume  1.02006E+09 ppm1      2.315 ppm2      1.925
 ASSI {  963}
   (( segid    A and resid 53   and name  HB2 ))
   (( segid    A and resid 65   and name  HB  ))

      5.000     3.200     0.000 peak   963 weight  1.00000E+00 volume  2.57139E+08 ppm1      1.306 ppm2      1.790
 ASSI {  105}
   (( segid    A and resid 24   and name  HB1 ))
   (( segid    A and resid 35   and name  HA  ))

      6.000     4.200     0.000 peak   105 weight  1.00000E+00 volume  8.44726E+07 ppm1      3.987 ppm2      5.292
 ASSI { 1178}
   (  segid    A and resid 42   and name  HB# )
   (( segid    A and resid 42   and name  HA  ))

      4.000     2.200     0.000 peak  1178 weight  1.00000E+00 volume  2.02565E+09 ppm1      4.998 ppm2      1.042
 ASSI { 1631}
   (( segid    A and resid 62   and name  HB2 ))
   (( segid    A and resid 57   and name  HZ3 ))

      6.000     4.200     0.000 peak  1631 weight  1.00000E+00 volume  5.56302E+07 ppm1      0.506 ppm2      6.815
 ASSI { 2199}
   (( segid    A and resid 65   and name  HB  ))
   (  segid    A and resid 65   and name  HG2#)

      5.000     3.200     0.000 peak  2199 weight  1.00000E+00 volume  2.76555E+09 ppm1      1.798 ppm2      0.717
 OR { 2199}
   (  segid    A and resid 53   and name  HD2#)
   (( segid    A and resid 65   and name  HB  ))
 ASSI { 1087}
   (( segid    A and resid 61   and name  HG11))
   (  segid    A and resid 61   and name  HD1#)

      4.000     2.200     0.000 peak  1087 weight  1.00000E+00 volume  1.25530E+09 ppm1      1.027 ppm2      0.841
 ASSI { 2736}
   (( segid    A and resid 39   and name  HB1 ))
   (( segid    A and resid 39   and name  HB2 ))

      2.500     0.700     0.000 peak  2736 weight  1.00000E+00 volume  4.19463E+07 ppm1      2.076 ppm2      2.271
 ASSI {  584}
   (( segid    A and resid 31   and name  HB2 ))
   (( segid    A and resid 27   and name  HA  ))

      5.000     3.200     0.000 peak   584 weight  1.00000E+00 volume  2.52698E+08 ppm1      4.713 ppm2      1.802
 ASSI { 1143}
   (  segid    A and resid 42   and name  HB# )
   (  segid    A and resid 23   and name  HB# )

      5.000     3.200     0.000 peak  1143 weight  1.00000E+00 volume  1.17609E+09 ppm1      1.036 ppm2      1.365
 ASSI {  756}
   (( segid    A and resid 56   and name  HA  ))
   (  segid    A and resid 61   and name  HG2#)

      6.000     4.200     0.000 peak   756 weight  1.00000E+00 volume  3.47487E+08 ppm1      5.519 ppm2      0.717
 ASSI { 1833}
   (( segid    A and resid 38   and name  HB2 ))
   (  segid    A and resid 39   and name  HG# )

      5.000     3.200     0.000 peak  1833 weight  1.00000E+00 volume  2.47239E+08 ppm1      2.709 ppm2      2.205
 ASSI { 2286}
   (( segid    A and resid 84   and name  HB2 ))
   (( segid    A and resid 84   and name  HA  ))

      4.000     2.200     0.000 peak  2286 weight  1.00000E+00 volume  7.91385E+08 ppm1      4.209 ppm2      1.797
 ASSI { 1715}
   (( segid    A and resid 18   and name  HB1 ))
   (( segid    A and resid 39   and name  HA  ))

      6.000     4.200     0.000 peak  1715 weight  1.00000E+00 volume  1.33920E+08 ppm1      3.856 ppm2      1.838
 ASSI { 2633}
   (( segid    A and resid 44   and name  HB1 ))
   (( segid    A and resid 44   and name  HB2 ))

      4.000     2.200     0.000 peak  2633 weight  1.00000E+00 volume  2.55348E+07 ppm1      0.954 ppm2      1.692
 ASSI { 1521}
   (( segid    A and resid 12   and name  HA  ))
   (( segid    A and resid 18   and name  HG1 ))

      5.000     3.200     0.000 peak  1521 weight  1.00000E+00 volume  2.70639E+08 ppm1      4.913 ppm2      2.263
 ASSI {  655}
   (( segid    A and resid 18   and name  HA  ))
   (( segid    A and resid 20   and name  HB1 ))

      5.000     3.200     0.000 peak   655 weight  1.00000E+00 volume  2.75667E+09 ppm1      4.963 ppm2      1.724
 ASSI {  656}
   (( segid    A and resid 18   and name  HA  ))
   (( segid    A and resid 18   and name  HG1 ))

      5.000     3.200     0.000 peak   656 weight  1.00000E+00 volume  6.65609E+08 ppm1      4.963 ppm2      2.264
 ASSI {   84}
   (( segid    A and resid 6    and name  HA  ))
   (( segid    A and resid 6    and name  HG1 ))

      5.000     3.200     0.000 peak    84 weight  1.00000E+00 volume  5.37185E+08 ppm1      5.149 ppm2      1.507
! ASSI { 1664}
!   (  segid    A and resid 25   and name  HG1#)
!   (( segid    A and resid 35   and name  HA  ))
!
!      6.000     4.200     0.000 peak  1664 weight  1.00000E+00 volume  4.17902E+08 ppm1      5.284 ppm2      0.662
 ASSI { 1531}
   (( segid    A and resid 12   and name  HB2 ))
   (( segid    A and resid 12   and name  HD2 ))

      5.000     3.200     0.000 peak  1531 weight  1.00000E+00 volume  1.98822E+08 ppm1      1.602 ppm2      3.211
 ASSI { 1416}
   (( segid    A and resid 78   and name  HB2 ))
   (( segid    A and resid 78   and name  HA  ))

      5.000     3.200     0.000 peak  1416 weight  1.00000E+00 volume  5.13652E+08 ppm1      1.703 ppm2      5.010
 ASSI {  982}
   (( segid    A and resid 53   and name  HB1 ))
   (  segid    A and resid 53   and name  HD1#)

      4.000     2.200     0.000 peak   982 weight  1.00000E+00 volume  1.70958E+09 ppm1      0.468 ppm2      1.544
 ASSI { 2527}
   (( segid    A and resid 49   and name  HG1 ))
   (( segid    A and resid 49   and name  HD1 ))

      5.000     3.200     0.000 peak  2527 weight  1.00000E+00 volume  1.04398E+07 ppm1      2.225 ppm2      4.003
 ASSI { 2068}
   (( segid    A and resid 49   and name  HG1 ))
   (( segid    A and resid 48   and name  HA  ))

      5.000     3.200     0.000 peak  2068 weight  1.00000E+00 volume  2.24622E+08 ppm1      4.680 ppm2      2.219
 ASSI {  767}
   (  segid    A and resid 25   and name  HG1#)
   (( segid    A and resid 25   and name  HB  ))

      4.000     2.200     0.000 peak   767 weight  1.00000E+00 volume  1.92091E+09 ppm1      0.671 ppm2      1.743
 ASSI { 2465}
   (( segid    A and resid 46   and name  HA1 ))
   (( segid    A and resid 46   and name  HA2 ))

      4.000     2.200     0.000 peak  2465 weight  1.00000E+00 volume  4.60626E+07 ppm1      3.709 ppm2      4.009
 ASSI { 2775}
   (( segid    A and resid 41   and name  HB1 ))
   (( segid    A and resid 41   and name  HA  ))

      5.000     3.200     0.000 peak  2775 weight  1.00000E+00 volume  1.16712E+07 ppm1      1.636 ppm2      4.684
 ASSI { 2075}
   (  segid    A and resid 48   and name  HG2#)
   (( segid    A and resid 48   and name  HB  ))

      5.000     3.200     0.000 peak  2075 weight  1.00000E+00 volume  2.49782E+09 ppm1      3.922 ppm2      1.177
 ASSI {  985}
   (( segid    A and resid 57   and name  HZ2 ))
   (  segid    A and resid 13   and name  HD1#)

      6.000     4.200     0.000 peak   985 weight  1.00000E+00 volume  2.22076E+08 ppm1      1.083 ppm2      7.417
 ASSI {  783}
   (( segid    A and resid 18   and name  HA  ))
   (  segid    A and resid 36   and name  HG# )

      6.000     4.200     0.000 peak   783 weight  1.00000E+00 volume  4.77067E+08 ppm1      0.690 ppm2      4.984
 ASSI {  104}
   (( segid    A and resid 24   and name  HB2 ))
   (( segid    A and resid 24   and name  HA  ))

      4.000     2.200     0.000 peak   104 weight  1.00000E+00 volume  1.08011E+09 ppm1      3.884 ppm2      4.945
 ASSI { 1594}
   (( segid    A and resid 18   and name  HB1 ))
   (( segid    A and resid 18   and name  HB2 ))

      4.000     2.200     0.000 peak  1594 weight  1.00000E+00 volume  9.72903E+08 ppm1      1.876 ppm2      1.810
 ASSI { 1632}
   (( segid    A and resid 62   and name  HB2 ))
   (( segid    A and resid 57   and name  HH2 ))

      6.000     4.200     0.000 peak  1632 weight  1.00000E+00 volume  4.00344E+07 ppm1      0.506 ppm2      6.983
 ASSI { 2201}
   (( segid    A and resid 53   and name  HB2 ))
   (  segid    A and resid 65   and name  HG2#)

      5.000     3.200     0.000 peak  2201 weight  1.00000E+00 volume  3.50577E+09 ppm1      0.721 ppm2      1.312
 ASSI { 1486}
   (( segid    A and resid 6    and name  HB1 ))
   (( segid    A and resid 6    and name  HG1 ))

      2.800     1.000     0.000 peak  1486 weight  1.00000E+00 volume  9.94628E+09 ppm1      1.510 ppm2      1.755
 ASSI { 1614}
   (  segid    A and resid 18   and name  HG# )
   (  segid    A and resid 13   and name  HD2#)

      6.000     4.200     0.000 peak  1614 weight  1.00000E+00 volume  1.38599E+08 ppm1      2.267 ppm2      0.894
 ASSI { 2400}
   (( segid    A and resid 6    and name  HB1 ))
   (( segid    A and resid 45   and name  HB2 ))

      6.000     4.200     0.000 peak  2400 weight  1.00000E+00 volume  3.36225E+06 ppm1      3.632 ppm2      1.746
 ASSI { 1791}
   (( segid    A and resid 20   and name  HB1 ))
   (( segid    A and resid 20   and name  HD2 ))

      6.000     4.200     0.000 peak  1791 weight  1.00000E+00 volume  1.56115E+08 ppm1      1.299 ppm2      1.638
 ASSI { 1390}
   (( segid    A and resid 66   and name  HB2 ))
   (( segid    A and resid 66   and name  HA  ))

      4.000     2.200     0.000 peak  1390 weight  1.00000E+00 volume  3.45471E+09 ppm1      5.122 ppm2      2.551
 ASSI { 1062}
   (( segid    A and resid 61   and name  HG11))
   (( segid    A and resid 61   and name  HA  ))

      5.000     3.200     0.000 peak  1062 weight  1.00000E+00 volume  1.06083E+09 ppm1      3.881 ppm2      1.035
 ASSI { 2370}
   (( segid    A and resid 20   and name  HB2 ))
   (( segid    A and resid 20   and name  HA  ))

      4.000     2.200     0.000 peak  2370 weight  1.00000E+00 volume  1.27136E+09 ppm1      4.144 ppm2      1.860
 ASSI { 1009}
   (( segid    A and resid 10   and name  HB  ))
   (  segid    A and resid 10   and name  HG2#)

      4.000     2.200     0.000 peak  1009 weight  1.00000E+00 volume  2.36116E+09 ppm1      1.683 ppm2      0.763
 ASSI { 1817}
   (( segid    A and resid 24   and name  HB2 ))
   (( segid    A and resid 56   and name  HB2 ))

      5.000     3.200     0.000 peak  1817 weight  1.00000E+00 volume  1.86628E+08 ppm1      3.884 ppm2      2.428
 ASSI { 1719}
   (( segid    A and resid 57   and name  HD1 ))
   (( segid    A and resid 57   and name  HB1 ))

      6.000     4.200     0.000 peak  1719 weight  1.00000E+00 volume  7.69462E+07 ppm1      7.192 ppm2      3.719
 ASSI { 1582}
   (( segid    A and resid 51   and name  HB2 ))
   (( segid    A and resid 66   and name  HA  ))

      6.000     4.200     0.000 peak  1582 weight  1.00000E+00 volume  8.22307E+07 ppm1      5.125 ppm2      1.936
 ASSI { 1841}
   (( segid    A and resid 40   and name  HA2 ))
   (( segid    A and resid 18   and name  HG1 ))

      6.000     4.200     0.000 peak  1841 weight  1.00000E+00 volume  2.94093E+08 ppm1      3.987 ppm2      2.267
 ASSI { 2062}
   (( segid    A and resid 51   and name  HA  ))
   (( segid    A and resid 51   and name  HB2 ))

      5.000     3.200     0.000 peak  2062 weight  1.00000E+00 volume  1.26655E+09 ppm1      4.542 ppm2      1.917
 ASSI {   85}
   (( segid    A and resid 6    and name  HG1 ))
   (( segid    A and resid 45   and name  HA  ))

      5.000     3.200     0.000 peak    85 weight  1.00000E+00 volume  5.77569E+08 ppm1      4.731 ppm2      1.511
 ASSI { 1654}
   (( segid    A and resid 35   and name  HG2 ))
   (( segid    A and resid 35   and name  HA  ))

      5.000     3.200     0.000 peak  1654 weight  1.00000E+00 volume  1.61503E+08 ppm1      2.364 ppm2      5.283
 ASSI {   37}
   (( segid    A and resid 13   and name  HA  ))
   (  segid    A and resid 13   and name  HB# )

      4.000     2.200     0.000 peak    37 weight  1.00000E+00 volume  2.69075E+09 ppm1      5.038 ppm2      1.900
 ASSI {  745}
   (  segid    A and resid 42   and name  HB# )
   (( segid    A and resid 36   and name  HA  ))

      5.000     3.200     0.000 peak   745 weight  1.00000E+00 volume  9.97642E+08 ppm1      3.840 ppm2      1.039
 OR {  745}
   (  segid    A and resid 55   and name  HG2#)
   (( segid    A and resid 36   and name  HA  ))
 ASSI { 1721}
   (( segid    A and resid 58   and name  HB2 ))
   (( segid    A and resid 57   and name  HD1 ))

      6.000     4.200     0.000 peak  1721 weight  1.00000E+00 volume  8.07061E+07 ppm1      7.191 ppm2      3.022
 ASSI { 2135}
   (( segid    A and resid 44   and name  HB2 ))
   (  segid    A and resid 44   and name  HD1#)

      4.000     2.200     0.000 peak  2135 weight  1.00000E+00 volume  2.08121E+09 ppm1      0.506 ppm2      1.730
 ASSI {  881}
   (( segid    A and resid 38   and name  HA  ))
   (( segid    A and resid 21   and name  HA  ))

      6.000     4.200     0.000 peak   881 weight  1.00000E+00 volume  1.98002E+08 ppm1      4.791 ppm2      3.891
 ASSI { 1276}
   (  segid    A and resid 21   and name  HD# )
   (  segid    A and resid 21   and name  HE# )

      6.000     4.200     0.000 peak  1276 weight  1.00000E+00 volume  3.87385E+08 ppm1      7.038 ppm2      7.327
 ASSI { 2003}
   (  segid    A and resid 32   and name  HB# )
   (  segid    A and resid 26   and name  HG2#)

      6.000     4.200     0.000 peak  2003 weight  1.00000E+00 volume  1.50164E+08 ppm1      2.107 ppm2      1.030
 ASSI {  582}
   (  segid    A and resid 53   and name  HD1#)
   (( segid    A and resid 27   and name  HA  ))

      6.000     4.200     0.000 peak   582 weight  1.00000E+00 volume  7.94272E+07 ppm1      4.713 ppm2      0.469
 ASSI {  941}
   (( segid    A and resid 53   and name  HA  ))
   (  segid    A and resid 53   and name  HD2#)

      4.000     2.200     0.000 peak   941 weight  1.00000E+00 volume  7.35312E+09 ppm1      4.983 ppm2      0.712
 ASSI {  106}
   (( segid    A and resid 24   and name  HB2 ))
   (( segid    A and resid 35   and name  HA  ))

      6.000     4.200     0.000 peak   106 weight  1.00000E+00 volume  8.24368E+07 ppm1      3.883 ppm2      5.287
 ASSI { 1720}
   (( segid    A and resid 57   and name  HD1 ))
   (( segid    A and resid 57   and name  HB2 ))

      5.000     3.200     0.000 peak  1720 weight  1.00000E+00 volume  2.24293E+08 ppm1      7.191 ppm2      3.326
 ASSI {   23}
   (  segid    A and resid 21   and name  HD# )
   (( segid    A and resid 37   and name  HA  ))

      6.000     4.200     0.000 peak    23 weight  1.00000E+00 volume  5.17747E+08 ppm1      4.197 ppm2      7.043
 ASSI { 2491}
   (( segid    A and resid 80   and name  HD2 ))
   (( segid    A and resid 80   and name  HA  ))

      5.000     3.200     0.000 peak  2491 weight  1.00000E+00 volume  6.69947E+06 ppm1      3.819 ppm2      4.882
 ASSI { 1497}
   (  segid    A and resid 6    and name  HB# )
   (( segid    A and resid 6    and name  HD2 ))

      4.000     2.200     0.000 peak  1497 weight  1.00000E+00 volume  1.46869E+09 ppm1      3.136 ppm2      1.732
 ASSI { 1655}
   (( segid    A and resid 35   and name  HG1 ))
   (( segid    A and resid 35   and name  HA  ))

      5.000     3.200     0.000 peak  1655 weight  1.00000E+00 volume  2.87207E+08 ppm1      2.319 ppm2      5.281
 ASSI { 2017}
   (( segid    A and resid 65   and name  HA  ))
   (( segid    A and resid 81   and name  HB2 ))

      6.000     4.200     0.000 peak  2017 weight  1.00000E+00 volume  3.35616E+07 ppm1      4.705 ppm2      3.300
 ASSI { 2672}
   (  segid    A and resid 44   and name  HD1#)
   (( segid    A and resid 25   and name  HB  ))

      6.000     4.200     0.000 peak  2672 weight  1.00000E+00 volume  9.02857E+06 ppm1      1.745 ppm2      0.501
 ASSI {  890}
   (  segid    A and resid 36   and name  HG2#)
   (( segid    A and resid 21   and name  HA  ))

      6.000     4.200     0.000 peak   890 weight  1.00000E+00 volume  4.19721E+08 ppm1      3.932 ppm2      0.681
 ASSI { 1844}
   (( segid    A and resid 40   and name  HA1 ))
   (( segid    A and resid 18   and name  HG1 ))

      6.000     4.200     0.000 peak  1844 weight  1.00000E+00 volume  1.17825E+08 ppm1      3.241 ppm2      2.258
 ASSI {  791}
   (( segid    A and resid 65   and name  HB  ))
   (  segid    A and resid 65   and name  HG2#)

      4.000     2.200     0.000 peak   791 weight  1.00000E+00 volume  8.17673E+09 ppm1      0.719 ppm2      1.794
 ASSI {  753}
   (( segid    A and resid 56   and name  HA  ))
   (( segid    A and resid 61   and name  HB  ))

      6.000     4.200     0.000 peak   753 weight  1.00000E+00 volume  2.60690E+08 ppm1      5.518 ppm2      1.635
 ASSI { 1470}
   (  segid    A and resid 55   and name  HG2#)
   (( segid    A and resid 64   and name  HG2 ))

      6.000     4.200     0.000 peak  1470 weight  1.00000E+00 volume  3.58173E+08 ppm1      1.079 ppm2      2.103
 ASSI {  951}
   (  segid    A and resid 53   and name  HD2#)
   (( segid    A and resid 53   and name  HG  ))

      4.000     2.200     0.000 peak   951 weight  1.00000E+00 volume  1.66158E+09 ppm1      0.700 ppm2      1.548
 OR {  951}
   (( segid    A and resid 53   and name  HB1 ))
   (  segid    A and resid 53   and name  HD2#)
 ASSI { 2724}
   (  segid    A and resid 53   and name  HD1#)
   (( segid    A and resid 55   and name  HA  ))

      6.000     4.200     0.000 peak  2724 weight  1.00000E+00 volume  1.54784E+06 ppm1      5.089 ppm2      0.478
 ASSI { 2156}
   (( segid    A and resid 71   and name  HA  ))
   (  segid    A and resid 71   and name  HB# )

      4.000     2.200     0.000 peak  2156 weight  1.00000E+00 volume  2.77785E+09 ppm1      4.302 ppm2      1.226
 ASSI { 1200}
   (( segid    A and resid 26   and name  HA  ))
   (( segid    A and resid 32   and name  HG1 ))

      6.000     4.200     0.000 peak  1200 weight  1.00000E+00 volume  9.49305E+07 ppm1      5.431 ppm2      2.318
 ASSI {   88}
   (( segid    A and resid 65   and name  HA  ))
   (( segid    A and resid 81   and name  HA  ))

      5.000     3.200     0.000 peak    88 weight  1.00000E+00 volume  5.21686E+08 ppm1      4.701 ppm2      5.127
 ASSI { 2312}
   (( segid    A and resid 79   and name  HA  ))
   (( segid    A and resid 80   and name  HG2 ))

      5.000     3.200     0.000 peak  2312 weight  1.00000E+00 volume  1.80855E+08 ppm1      2.205 ppm2      5.117
 OR { 2312}
   (( segid    A and resid 81   and name  HA  ))
   (( segid    A and resid 80   and name  HG2 ))
 ASSI { 2190}
   (  segid    A and resid 53   and name  HD1#)
   (( segid    A and resid 47   and name  HA  ))

      6.000     4.200     0.000 peak  2190 weight  1.00000E+00 volume  1.11640E+08 ppm1      3.965 ppm2      0.479
 ASSI { 1441}
   (( segid    A and resid 64   and name  HG1 ))
   (( segid    A and resid 61   and name  HG11))

      6.000     4.200     0.000 peak  1441 weight  1.00000E+00 volume  2.05406E+08 ppm1      2.316 ppm2      1.080
 ASSI { 1182}
   (  segid    A and resid 35   and name  HB# )
   (( segid    A and resid 24   and name  HA  ))

      5.000     3.200     0.000 peak  1182 weight  1.00000E+00 volume  3.63803E+08 ppm1      4.949 ppm2      1.827
 ASSI {  766}
   (  segid    A and resid 25   and name  HG1#)
   (  segid    A and resid 55   and name  HG2#)

      5.000     3.200     0.000 peak   766 weight  1.00000E+00 volume  1.43157E+09 ppm1      0.672 ppm2      1.038
 ASSI {  761}
   (  segid    A and resid 61   and name  HD1#)
   (( segid    A and resid 61   and name  HA  ))

      6.000     4.200     0.000 peak   761 weight  1.00000E+00 volume  3.56735E+08 ppm1      3.883 ppm2      0.838
 ASSI { 1166}
   (  segid    A and resid 55   and name  HG1#)
   (( segid    A and resid 55   and name  HA  ))

      4.000     2.200     0.000 peak  1166 weight  1.00000E+00 volume  1.83286E+09 ppm1      0.859 ppm2      5.089
 ASSI { 2664}
   (  segid    A and resid 55   and name  HG2#)
   (( segid    A and resid 25   and name  HA  ))

      6.000     4.200     0.000 peak  2664 weight  1.00000E+00 volume  7.35871E+06 ppm1      5.121 ppm2      1.034
 ASSI { 1668}
   (  segid    A and resid 35   and name  HG# )
   (( segid    A and resid 35   and name  HB1 ))

      5.000     3.200     0.000 peak  1668 weight  1.00000E+00 volume  1.01241E+09 ppm1      1.814 ppm2      2.337
 ASSI { 2032}
   (( segid    A and resid 34   and name  HA1 ))
   (  segid    A and resid 42   and name  HB# )

      6.000     4.200     0.000 peak  2032 weight  1.00000E+00 volume  2.14958E+08 ppm1      4.051 ppm2      1.081
 ASSI { 1482}
   (  segid    A and resid 6    and name  HB# )
   (( segid    A and resid 6    and name  HG1 ))

      4.000     2.200     0.000 peak  1482 weight  1.00000E+00 volume  1.58079E+09 ppm1      1.763 ppm2      1.515
 ASSI { 2248}
   (( segid    A and resid 36   and name  HB  ))
   (  segid    A and resid 42   and name  HB# )

      6.000     4.200     0.000 peak  2248 weight  1.00000E+00 volume  1.44484E+08 ppm1      1.954 ppm2      1.038
 ASSI {   76}
   (  segid    A and resid 35   and name  HB# )
   (( segid    A and resid 35   and name  HA  ))

      4.000     2.200     0.000 peak    76 weight  1.00000E+00 volume  1.34340E+09 ppm1      5.285 ppm2      1.825
 ASSI { 1060}
   (  segid    A and resid 61   and name  HG2#)
   (( segid    A and resid 61   and name  HA  ))

      5.000     3.200     0.000 peak  1060 weight  1.00000E+00 volume  2.21795E+09 ppm1      3.882 ppm2      0.716
 ASSI {  999}
   (  segid    A and resid 53   and name  HD1#)
   (( segid    A and resid 53   and name  HG  ))

      6.000     4.200     0.000 peak   999 weight  1.00000E+00 volume  9.33409E+08 ppm1      1.563 ppm2      0.472
 ASSI {  991}
   (( segid    A and resid 27   and name  HB1 ))
   (  segid    A and resid 53   and name  HD1#)

      6.000     4.200     0.000 peak   991 weight  1.00000E+00 volume  2.12308E+08 ppm1      0.473 ppm2      3.946
 ASSI { 1534}
   (( segid    A and resid 12   and name  HA  ))
   (( segid    A and resid 12   and name  HB1 ))

      5.000     3.200     0.000 peak  1534 weight  1.00000E+00 volume  7.56225E+08 ppm1      1.673 ppm2      4.906
 ASSI { 1157}
   (  segid    A and resid 55   and name  HG2#)
   (  segid    A and resid 55   and name  HG1#)

      5.000     3.200     0.000 peak  1157 weight  1.00000E+00 volume  1.92819E+09 ppm1      0.858 ppm2      1.038
! ASSI { 2157}
!   (  segid    A and resid 13   and name  HD2#)
!   (( segid    A and resid 71   and name  HA  ))
!
!      6.000     4.200     0.000 peak  2157 weight  1.00000E+00 volume  5.77387E+08 ppm1      4.302 ppm2      0.889
 ASSI { 1908}
   (  segid    A and resid 60   and name  HE# )
   (( segid    A and resid 60   and name  HG1 ))

      5.000     3.200     0.000 peak  1908 weight  1.00000E+00 volume  3.60366E+08 ppm1      2.858 ppm2      1.187
 ASSI {  749}
   (( segid    A and resid 56   and name  HA  ))
   (( segid    A and resid 56   and name  HB1 ))

      5.000     3.200     0.000 peak   749 weight  1.00000E+00 volume  6.10283E+08 ppm1      5.518 ppm2      2.732
 ASSI { 1651}
   (( segid    A and resid 35   and name  HB2 ))
   (( segid    A and resid 24   and name  HA  ))

      6.000     4.200     0.000 peak  1651 weight  1.00000E+00 volume  1.22533E+08 ppm1      1.846 ppm2      4.964
 ASSI {  590}
   (( segid    A and resid 15   and name  HB2 ))
   (( segid    A and resid 15   and name  HA  ))

      4.000     2.200     0.000 peak   590 weight  1.00000E+00 volume  1.20629E+09 ppm1      4.552 ppm2      2.606
 ASSI { 1574}
   (  segid    A and resid 61   and name  HG2#)
   (( segid    A and resid 56   and name  HB2 ))

      6.000     4.200     0.000 peak  1574 weight  1.00000E+00 volume  5.66204E+07 ppm1      2.433 ppm2      0.701
 ASSI { 1498}
   (  segid    A and resid 6    and name  HB# )
   (( segid    A and resid 6    and name  HD1 ))

      4.000     2.200     0.000 peak  1498 weight  1.00000E+00 volume  1.41622E+09 ppm1      3.046 ppm2      1.733
 ASSI { 1711}
   (( segid    A and resid 39   and name  HA  ))
   (( segid    A and resid 39   and name  HB2 ))

      4.000     2.200     0.000 peak  1711 weight  1.00000E+00 volume  2.38792E+09 ppm1      3.857 ppm2      2.078
 ASSI { 1826}
   (  segid    A and resid 25   and name  HG1#)
   (( segid    A and resid 24   and name  HB1 ))

      6.000     4.200     0.000 peak  1826 weight  1.00000E+00 volume  7.55439E+07 ppm1      3.993 ppm2      0.678
 ASSI { 1056}
   (( segid    A and resid 33   and name  HA  ))
   (  segid    A and resid 33   and name  HD1#)

      4.000     2.200     0.000 peak  1056 weight  1.00000E+00 volume  4.11574E+09 ppm1      4.685 ppm2      0.809
 ASSI { 2844}
   (( segid    A and resid 20   and name  HB1 ))
   (  segid    A and resid 13   and name  HD2#)

      5.000     3.200     0.000 peak  2844 weight  1.00000E+00 volume  1.65367E+07 ppm1      1.621 ppm2      0.966
 OR { 2844}
   (( segid    A and resid 20   and name  HB1 ))
   (( segid    A and resid 60   and name  HG2 ))
 ASSI { 1673}
   (( segid    A and resid 35   and name  HG2 ))
   (  segid    A and resid 35   and name  HB# )

      4.000     2.200     0.000 peak  1673 weight  1.00000E+00 volume  1.81566E+09 ppm1      2.366 ppm2      1.834
 ASSI { 2058}
   (( segid    A and resid 51   and name  HA  ))
   (( segid    A and resid 51   and name  HG2 ))

      4.000     2.200     0.000 peak  2058 weight  1.00000E+00 volume  1.56563E+09 ppm1      4.541 ppm2      2.451
 ASSI { 1678}
   (( segid    A and resid 35   and name  HG1 ))
   (( segid    A and resid 24   and name  HB2 ))

      6.000     4.200     0.000 peak  1678 weight  1.00000E+00 volume  9.34589E+07 ppm1      2.304 ppm2      3.876
 ASSI { 2087}
   (( segid    A and resid 49   and name  HB1 ))
   (( segid    A and resid 48   and name  HA  ))

      6.000     4.200     0.000 peak  2087 weight  1.00000E+00 volume  2.67383E+08 ppm1      4.676 ppm2      2.493
 ASSI { 2532}
   (( segid    A and resid 49   and name  HA  ))
   (( segid    A and resid 49   and name  HD1 ))

      5.000     3.200     0.000 peak  2532 weight  1.00000E+00 volume  5.21607E+06 ppm1      3.880 ppm2      4.052
 ASSI {  604}
   (( segid    A and resid 57   and name  HB1 ))
   (( segid    A and resid 57   and name  HA  ))

      4.000     2.200     0.000 peak   604 weight  1.00000E+00 volume  1.02443E+09 ppm1      4.968 ppm2      3.719
 ASSI {  654}
   (  segid    A and resid 18   and name  HB# )
   (( segid    A and resid 18   and name  HA  ))

      4.000     2.200     0.000 peak   654 weight  1.00000E+00 volume  7.32807E+09 ppm1      4.961 ppm2      1.829
 ASSI { 2371}
   (( segid    A and resid 20   and name  HB1 ))
   (( segid    A and resid 20   and name  HA  ))

      4.000     2.200     0.000 peak  2371 weight  1.00000E+00 volume  8.13931E+08 ppm1      4.145 ppm2      1.616
 ASSI { 2469}
   (( segid    A and resid 46   and name  HA2 ))
   (  segid    A and resid 33   and name  HD1#)

      6.000     4.200     0.000 peak  2469 weight  1.00000E+00 volume  3.72163E+06 ppm1      3.714 ppm2      0.808
 ASSI {   87}
   (( segid    A and resid 6    and name  HA  ))
   (  segid    A and resid 6    and name  HB# )

      4.000     2.200     0.000 peak    87 weight  1.00000E+00 volume  1.76710E+09 ppm1      5.150 ppm2      1.746
 ASSI {  134}
   (( segid    A and resid 23   and name  HA  ))
   (( segid    A and resid 57   and name  HA  ))

      5.000     3.200     0.000 peak   134 weight  1.00000E+00 volume  2.33787E+08 ppm1      4.720 ppm2      4.972
 ASSI {  906}
   (( segid    A and resid 27   and name  HB1 ))
   (( segid    A and resid 31   and name  HB1 ))

      6.000     4.200     0.000 peak   906 weight  1.00000E+00 volume  1.03066E+08 ppm1      1.665 ppm2      3.920
 ASSI {   11}
   (( segid    A and resid 43   and name  HZ2 ))
   (( segid    A and resid 43   and name  HA  ))

      5.000     3.200     0.000 peak    11 weight  1.00000E+00 volume  3.04674E+08 ppm1      5.042 ppm2      7.297
 ASSI {  716}
   (( segid    A and resid 22   and name  HA1 ))
   (( segid    A and resid 22   and name  HA2 ))

      4.000     2.200     0.000 peak   716 weight  1.00000E+00 volume  7.94091E+09 ppm1      4.335 ppm2      3.496
 ASSI {  601}
   (  segid    A and resid 42   and name  HB# )
   (( segid    A and resid 23   and name  HA  ))

      6.000     4.200     0.000 peak   601 weight  1.00000E+00 volume  2.22615E+08 ppm1      4.720 ppm2      1.018
 ASSI { 1077}
   (( segid    A and resid 62   and name  HG1 ))
   (  segid    A and resid 61   and name  HG2#)

      6.000     4.200     0.000 peak  1077 weight  1.00000E+00 volume  1.61445E+07 ppm1      0.741 ppm2      0.178
 ASSI { 1789}
   (( segid    A and resid 20   and name  HB2 ))
   (( segid    A and resid 20   and name  HD2 ))

      5.000     3.200     0.000 peak  1789 weight  1.00000E+00 volume  5.51072E+08 ppm1      1.309 ppm2      1.837
 ASSI { 1709}
   (( segid    A and resid 32   and name  HB2 ))
   (( segid    A and resid 32   and name  HA  ))

      4.000     2.200     0.000 peak  1709 weight  1.00000E+00 volume  2.34802E+09 ppm1      4.428 ppm2      2.030
 ASSI {  949}
   (( segid    A and resid 27   and name  HB1 ))
   (  segid    A and resid 53   and name  HD2#)

      5.000     3.200     0.000 peak   949 weight  1.00000E+00 volume  4.61717E+08 ppm1      0.700 ppm2      3.927
 ASSI { 2203}
   (( segid    A and resid 81   and name  HB2 ))
   (( segid    A and resid 13   and name  HA  ))

      5.000     3.200     0.000 peak  2203 weight  1.00000E+00 volume  3.64421E+08 ppm1      5.035 ppm2      3.303
 ASSI { 2358}
   (( segid    A and resid 80   and name  HB1 ))
   (( segid    A and resid 79   and name  HA  ))

      5.000     3.200     0.000 peak  2358 weight  1.00000E+00 volume  2.61287E+08 ppm1      1.840 ppm2      5.126
 OR { 2358}
   (( segid    A and resid 80   and name  HB1 ))
   (( segid    A and resid 81   and name  HA  ))
 ASSI { 2819}
   (( segid    A and resid 62   and name  HB1 ))
   (( segid    A and resid 57   and name  HH2 ))

      6.000     4.200     0.000 peak  2819 weight  1.00000E+00 volume  1.89192E+06 ppm1      1.165 ppm2      6.976
 ASSI {  977}
   (  segid    A and resid 55   and name  HG2#)
   (  segid    A and resid 53   and name  HD2#)

      6.000     4.200     0.000 peak   977 weight  1.00000E+00 volume  2.60964E+08 ppm1      0.704 ppm2      1.048
 ASSI { 2628}
   (( segid    A and resid 44   and name  HB2 ))
   (  segid    A and resid 44   and name  HD2#)

      6.000     4.200     0.000 peak  2628 weight  1.00000E+00 volume  1.09434E+07 ppm1      1.703 ppm2      0.535
 ASSI {  775}
   (  segid    A and resid 25   and name  HG1#)
   (( segid    A and resid 36   and name  HA  ))

      6.000     4.200     0.000 peak   775 weight  1.00000E+00 volume  2.28398E+08 ppm1      0.672 ppm2      3.855
 ASSI { 2412}
   (( segid    A and resid 6    and name  HA  ))
   (( segid    A and resid 45   and name  HB1 ))

      6.000     4.200     0.000 peak  2412 weight  1.00000E+00 volume  3.38246E+06 ppm1      3.750 ppm2      5.145
 ASSI { 1977}
   (( segid    A and resid 13   and name  HA  ))
   (( segid    A and resid 13   and name  HB1 ))

      5.000     3.200     0.000 peak  1977 weight  1.00000E+00 volume  7.24761E+08 ppm1      1.928 ppm2      5.030
 ASSI { 2016}
   (( segid    A and resid 53   and name  HB2 ))
   (( segid    A and resid 65   and name  HA  ))

      6.000     4.200     0.000 peak  2016 weight  1.00000E+00 volume  5.64219E+08 ppm1      4.703 ppm2      1.290
 ASSI {  710}
   (( segid    A and resid 82   and name  HB  ))
   (( segid    A and resid 82   and name  HA  ))

      4.000     2.200     0.000 peak   710 weight  1.00000E+00 volume  9.36178E+08 ppm1      4.335 ppm2      4.942
 ASSI { 1193}
   (( segid    A and resid 18   and name  HA  ))
   (( segid    A and resid 17   and name  HA  ))

      6.000     4.200     0.000 peak  1193 weight  1.00000E+00 volume  7.22021E+07 ppm1      4.436 ppm2      4.971
 ASSI {  809}
   (( segid    A and resid 21   and name  HB1 ))
   (  segid    A and resid 21   and name  HD# )

      5.000     3.200     0.000 peak   809 weight  1.00000E+00 volume  1.29207E+09 ppm1      2.908 ppm2      7.041
 ASSI { 1918}
   (( segid    A and resid 60   and name  HB1 ))
   (( segid    A and resid 60   and name  HG2 ))

      4.000     2.200     0.000 peak  1918 weight  1.00000E+00 volume  7.37160E+09 ppm1      1.012 ppm2      1.492
 ASSI { 2442}
   (( segid    A and resid 4    and name  HA1 ))
   (( segid    A and resid 4    and name  HA2 ))

      4.000     2.200     0.000 peak  2442 weight  1.00000E+00 volume  2.85929E+07 ppm1      3.921 ppm2      3.723
 ASSI { 1639}
   (( segid    A and resid 62   and name  HB1 ))
   (( segid    A and resid 62   and name  HA  ))

      5.000     3.200     0.000 peak  1639 weight  1.00000E+00 volume  7.10484E+08 ppm1      4.032 ppm2      1.156
 ASSI { 1000}
   (  segid    A and resid 53   and name  HD2#)
   (( segid    A and resid 53   and name  HG  ))

      5.000     3.200     0.000 peak  1000 weight  1.00000E+00 volume  6.89556E+09 ppm1      1.573 ppm2      0.757
 ASSI { 1230}
   (( segid    A and resid 40   and name  HA1 ))
   (( segid    A and resid 18   and name  HA  ))

      6.000     4.200     0.000 peak  1230 weight  1.00000E+00 volume  5.15714E+09 ppm1      4.963 ppm2      3.236
 ASSI { 2496}
   (( segid    A and resid 69   and name  HA  ))
   (( segid    A and resid 69   and name  HB2 ))

      4.000     2.200     0.000 peak  2496 weight  1.00000E+00 volume  2.04611E+07 ppm1      3.858 ppm2      2.092
 ASSI { 1824}
   (( segid    A and resid 61   and name  HG11))
   (( segid    A and resid 24   and name  HB2 ))

      5.000     3.200     0.000 peak  1824 weight  1.00000E+00 volume  1.41725E+08 ppm1      3.884 ppm2      1.032
 ASSI {   42}
   (( segid    A and resid 54   and name  HA  ))
   (( segid    A and resid 64   and name  HA  ))

      4.000     2.200     0.000 peak    42 weight  1.00000E+00 volume  1.29581E+09 ppm1      5.479 ppm2      5.015
 ASSI { 2639}
   (  segid    A and resid 44   and name  HD2#)
   (( segid    A and resid 33   and name  HB1 ))

      6.000     4.200     0.000 peak  2639 weight  1.00000E+00 volume  5.97487E+06 ppm1      0.559 ppm2      1.454
 ASSI { 1190}
   (( segid    A and resid 45   and name  HA  ))
   (( segid    A and resid 6    and name  HD2 ))

      6.000     4.200     0.000 peak  1190 weight  1.00000E+00 volume  5.76951E+07 ppm1      4.734 ppm2      3.110
 ASSI {  939}
   (( segid    A and resid 53   and name  HB2 ))
   (( segid    A and resid 53   and name  HA  ))

      4.000     2.200     0.000 peak   939 weight  1.00000E+00 volume  8.74009E+08 ppm1      4.981 ppm2      1.310
 ASSI {  593}
   (( segid    A and resid 57   and name  HB1 ))
   (( segid    A and resid 23   and name  HA  ))

      5.000     3.200     0.000 peak   593 weight  1.00000E+00 volume  6.08973E+08 ppm1      4.718 ppm2      3.719
 ASSI { 1625}
   (( segid    A and resid 18   and name  HA  ))
   (  segid    A and resid 18   and name  HG# )

      5.000     3.200     0.000 peak  1625 weight  1.00000E+00 volume  1.50175E+09 ppm1      2.265 ppm2      4.949
 ASSI { 1970}
   (  segid    A and resid 13   and name  HD2#)
   (( segid    A and resid 13   and name  HB1 ))

      6.000     4.200     0.000 peak  1970 weight  1.00000E+00 volume  4.04005E+08 ppm1      1.928 ppm2      0.892
 ASSI { 1909}
   (  segid    A and resid 60   and name  HE# )
   (( segid    A and resid 60   and name  HG2 ))

      5.000     3.200     0.000 peak  1909 weight  1.00000E+00 volume  2.83177E+08 ppm1      2.861 ppm2      1.012
! ASSI { 2167}
!   (  segid    A and resid 13   and name  HD2#)
!   (  segid    A and resid 71   and name  HB# )
!
!      5.000     3.200     0.000 peak  2167 weight  1.00000E+00 volume  2.95065E+09 ppm1      1.230 ppm2      0.877
 ASSI { 2581}
   (( segid    A and resid 62   and name  HB1 ))
   (( segid    A and resid 57   and name  HZ3 ))

      6.000     4.200     0.000 peak  2581 weight  1.00000E+00 volume  2.14766E+06 ppm1      1.160 ppm2      6.813
 ASSI {  952}
   (( segid    A and resid 53   and name  HB2 ))
   (  segid    A and resid 53   and name  HD2#)

      5.000     3.200     0.000 peak   952 weight  1.00000E+00 volume  7.21412E+08 ppm1      0.701 ppm2      1.314
 OR {  952}
   (( segid    A and resid 53   and name  HB2 ))
   (  segid    A and resid 65   and name  HG2#)
 ASSI { 1653}
   (( segid    A and resid 35   and name  HB1 ))
   (( segid    A and resid 24   and name  HA  ))

      6.000     4.200     0.000 peak  1653 weight  1.00000E+00 volume  2.46238E+08 ppm1      1.797 ppm2      4.936
 ASSI { 2040}
   (( segid    A and resid 44   and name  HA  ))
   (( segid    A and resid 33   and name  HB1 ))

      6.000     4.200     0.000 peak  2040 weight  1.00000E+00 volume  1.92104E+08 ppm1      4.862 ppm2      1.395
 ASSI { 1652}
   (( segid    A and resid 35   and name  HB1 ))
   (( segid    A and resid 35   and name  HA  ))

      5.000     3.200     0.000 peak  1652 weight  1.00000E+00 volume  1.01784E+09 ppm1      1.808 ppm2      5.283
 ASSI { 1523}
   (( segid    A and resid 12   and name  HA  ))
   (( segid    A and resid 12   and name  HB2 ))

      4.000     2.200     0.000 peak  1523 weight  1.00000E+00 volume  1.88176E+09 ppm1      4.910 ppm2      1.603
 ASSI {  651}
   (( segid    A and resid 18   and name  HA  ))
   (  segid    A and resid 13   and name  HD2#)

      6.000     4.200     0.000 peak   651 weight  1.00000E+00 volume  3.67050E+08 ppm1      4.963 ppm2      1.065
 ASSI { 1852}
   (( segid    A and resid 40   and name  HA1 ))
   (( segid    A and resid 40   and name  HA2 ))

      4.000     2.200     0.000 peak  1852 weight  1.00000E+00 volume  3.82635E+09 ppm1      3.253 ppm2      3.975
 ASSI {   86}
   (( segid    A and resid 6    and name  HB1 ))
   (( segid    A and resid 45   and name  HA  ))

      5.000     3.200     0.000 peak    86 weight  1.00000E+00 volume  9.88270E+08 ppm1      4.732 ppm2      1.742
 ASSI { 1302}
   (( segid    A and resid 57   and name  HZ2 ))
   (( segid    A and resid 57   and name  HZ3 ))

      6.000     4.200     0.000 peak  1302 weight  1.00000E+00 volume  4.45960E+07 ppm1      7.410 ppm2      6.816
 ASSI { 1650}
   (( segid    A and resid 35   and name  HB2 ))
   (( segid    A and resid 35   and name  HA  ))

      5.000     3.200     0.000 peak  1650 weight  1.00000E+00 volume  9.14117E+08 ppm1      1.843 ppm2      5.282
 ASSI {   93}
   (( segid    A and resid 65   and name  HA  ))
   (( segid    A and resid 53   and name  HG  ))

      6.000     4.200     0.000 peak    93 weight  1.00000E+00 volume  1.71870E+08 ppm1      4.705 ppm2      1.529
 ASSI { 2852}
   (( segid    A and resid 20   and name  HB2 ))
   (( segid    A and resid 19   and name  HA  ))

      6.000     4.200     0.000 peak  2852 weight  1.00000E+00 volume  2.38331E+06 ppm1      1.864 ppm2      3.671
 ASSI { 1179}
   (( segid    A and resid 24   and name  HA  ))
   (( segid    A and resid 56   and name  HB1 ))

      6.000     4.200     0.000 peak  1179 weight  1.00000E+00 volume  5.86766E+07 ppm1      4.950 ppm2      2.733
 ASSI { 1567}
   (( segid    A and resid 56   and name  HB1 ))
   (( segid    A and resid 56   and name  HB2 ))

      4.000     2.200     0.000 peak  1567 weight  1.00000E+00 volume  2.59200E+09 ppm1      2.738 ppm2      2.438
 ASSI { 1648}
   (( segid    A and resid 62   and name  HB1 ))
   (( segid    A and resid 62   and name  HB2 ))

      4.000     2.200     0.000 peak  1648 weight  1.00000E+00 volume  1.21862E+09 ppm1      0.510 ppm2      1.154
 ASSI { 2150}
   (( segid    A and resid 13   and name  HA  ))
   (( segid    A and resid 14   and name  HA  ))

      6.000     4.200     0.000 peak  2150 weight  1.00000E+00 volume  5.96905E+07 ppm1      4.069 ppm2      5.026
 ASSI { 1797}
   (( segid    A and resid 20   and name  HD2 ))
   (  segid    A and resid 13   and name  HD2#)

      5.000     3.200     0.000 peak  1797 weight  1.00000E+00 volume  9.19096E+08 ppm1      1.310 ppm2      0.968
 ASSI { 1431}
   (( segid    A and resid 64   and name  HB1 ))
   (( segid    A and resid 64   and name  HA  ))

      5.000     3.200     0.000 peak  1431 weight  1.00000E+00 volume  3.30071E+08 ppm1      1.954 ppm2      5.479
 ASSI { 2795}
   (  segid    A and resid 47   and name  HG1#)
   (( segid    A and resid 47   and name  HA  ))

      5.000     3.200     0.000 peak  2795 weight  1.00000E+00 volume  3.23843E+07 ppm1      0.790 ppm2      3.955
 ASSI { 1524}
   (( segid    A and resid 12   and name  HA  ))
   (  segid    A and resid 13   and name  HD2#)

      6.000     4.200     0.000 peak  1524 weight  1.00000E+00 volume  1.29792E+08 ppm1      4.913 ppm2      0.889
 ASSI { 1106}
   (  segid    A and resid 54   and name  HB# )
   (( segid    A and resid 54   and name  HA  ))

      4.000     2.200     0.000 peak  1106 weight  1.00000E+00 volume  5.36372E+08 ppm1      3.805 ppm2      5.014
 ASSI { 2728}
   (( segid    A and resid 52   and name  HA  ))
   (  segid    A and resid 52   and name  HG2#)

      5.000     3.200     0.000 peak  2728 weight  1.00000E+00 volume  3.02435E+07 ppm1      5.074 ppm2      1.087
 ASSI { 1338}
   (( segid    A and resid 19   and name  HA  ))
   (  segid    A and resid 13   and name  HD2#)

      6.000     4.200     0.000 peak  1338 weight  1.00000E+00 volume  5.07071E+08 ppm1      3.652 ppm2      0.908
 ASSI { 1495}
   (( segid    A and resid 6    and name  HA  ))
   (( segid    A and resid 6    and name  HD2 ))

      6.000     4.200     0.000 peak  1495 weight  1.00000E+00 volume  1.03830E+08 ppm1      3.136 ppm2      5.156
 ASSI { 1473}
   (  segid    A and resid 55   and name  HG2#)
   (( segid    A and resid 55   and name  HA  ))

      4.000     2.200     0.000 peak  1473 weight  1.00000E+00 volume  2.08781E+09 ppm1      1.081 ppm2      5.081
 ASSI { 1019}
   (  segid    A and resid 10   and name  HG2#)
   (( segid    A and resid 41   and name  HA  ))

      6.000     4.200     0.000 peak  1019 weight  1.00000E+00 volume  2.61871E+08 ppm1      0.726 ppm2      4.672
 ASSI { 1459}
   (( segid    A and resid 11   and name  HA  ))
   (( segid    A and resid 11   and name  HB1 ))

      5.000     3.200     0.000 peak  1459 weight  1.00000E+00 volume  9.37650E+08 ppm1      5.177 ppm2      1.748
 ASSI { 1139}
   (  segid    A and resid 25   and name  HG2#)
   (( segid    A and resid 25   and name  HA  ))

      4.000     2.200     0.000 peak  1139 weight  1.00000E+00 volume  1.51081E+09 ppm1      0.760 ppm2      5.116
 ASSI {  169}
   (( segid    A and resid 65   and name  HA  ))
   (( segid    A and resid 64   and name  HA  ))

      6.000     4.200     0.000 peak   169 weight  1.00000E+00 volume  1.48268E+08 ppm1      5.474 ppm2      4.701
 ASSI { 2292}
   (( segid    A and resid 84   and name  HB2 ))
   (  segid    A and resid 84   and name  HG# )

      4.000     2.200     0.000 peak  2292 weight  1.00000E+00 volume  1.48166E+09 ppm1      1.807 ppm2      2.224
 ASSI {  678}
   (( segid    A and resid 43   and name  HB1 ))
   (( segid    A and resid 43   and name  HB2 ))

      4.000     2.200     0.000 peak   678 weight  1.00000E+00 volume  1.51279E+09 ppm1      2.932 ppm2      3.190
 ASSI { 1070}
   (  segid    A and resid 61   and name  HG2#)
   (( segid    A and resid 56   and name  HB1 ))

      6.000     4.200     0.000 peak  1070 weight  1.00000E+00 volume  4.44197E+07 ppm1      0.733 ppm2      2.745
 ASSI { 2133}
   (  segid    A and resid 44   and name  HD1#)
   (  segid    A and resid 42   and name  HB# )

      5.000     3.200     0.000 peak  2133 weight  1.00000E+00 volume  1.52697E+09 ppm1      0.507 ppm2      1.032
 ASSI {  957}
   (( segid    A and resid 53   and name  HB2 ))
   (  segid    A and resid 53   and name  HD1#)

      5.000     3.200     0.000 peak   957 weight  1.00000E+00 volume  6.37425E+08 ppm1      1.311 ppm2      0.470
 ASSI { 2841}
   (( segid    A and resid 21   and name  HB1 ))
   (( segid    A and resid 20   and name  HB1 ))

      6.000     4.200     0.000 peak  2841 weight  1.00000E+00 volume  1.72903E+06 ppm1      1.622 ppm2      2.914
 ASSI { 1565}
   (( segid    A and resid 24   and name  HB1 ))
   (( segid    A and resid 56   and name  HB1 ))

      5.000     3.200     0.000 peak  1565 weight  1.00000E+00 volume  4.28734E+08 ppm1      2.739 ppm2      3.981
 ASSI {   92}
   (( segid    A and resid 65   and name  HA  ))
   (( segid    A and resid 65   and name  HB  ))

      4.000     2.200     0.000 peak    92 weight  1.00000E+00 volume  8.74901E+08 ppm1      4.702 ppm2      1.794
 ASSI { 1234}
   (( segid    A and resid 42   and name  HA  ))
   (( segid    A and resid 37   and name  HA  ))

      6.000     4.200     0.000 peak  1234 weight  1.00000E+00 volume  1.09647E+07 ppm1      4.998 ppm2      4.210
 ASSI { 1505}
   (( segid    A and resid 6    and name  HD2 ))
   (  segid    A and resid 7    and name  HD2#)

      6.000     4.200     0.000 peak  1505 weight  1.00000E+00 volume  2.44939E+07 ppm1      3.155 ppm2      0.766
 ASSI { 1322}
   (( segid    A and resid 57   and name  HH2 ))
   (( segid    A and resid 57   and name  HZ3 ))

      5.000     3.200     0.000 peak  1322 weight  1.00000E+00 volume  1.81549E+08 ppm1      6.816 ppm2      6.985
 ASSI { 2507}
   (( segid    A and resid 49   and name  HB1 ))
   (  segid    A and resid 48   and name  HG2#)

      6.000     4.200     0.000 peak  2507 weight  1.00000E+00 volume  5.56726E+06 ppm1      2.495 ppm2      1.218
 ASSI { 2413}
   (( segid    A and resid 6    and name  HA  ))
   (( segid    A and resid 45   and name  HB2 ))

      6.000     4.200     0.000 peak  2413 weight  1.00000E+00 volume  2.31067E+06 ppm1      3.628 ppm2      5.166
 ASSI {  741}
   (( segid    A and resid 56   and name  HB1 ))
   (( segid    A and resid 61   and name  HA  ))

      5.000     3.200     0.000 peak   741 weight  1.00000E+00 volume  2.57088E+08 ppm1      3.881 ppm2      2.738
 ASSI { 2055}
   (( segid    A and resid 51   and name  HA  ))
   (  segid    A and resid 52   and name  HG2#)

      6.000     4.200     0.000 peak  2055 weight  1.00000E+00 volume  7.33363E+07 ppm1      4.544 ppm2      1.180
 ASSI { 2601}
   (( segid    A and resid 33   and name  HB1 ))
   (  segid    A and resid 33   and name  HD1#)

      5.000     3.200     0.000 peak  2601 weight  1.00000E+00 volume  1.77531E+07 ppm1      1.406 ppm2      0.771
 ASSI {  506}
   (( segid    A and resid 49   and name  HA  ))
   (( segid    A and resid 49   and name  HD2 ))

      6.000     4.200     0.000 peak   506 weight  1.00000E+00 volume  2.38990E+07 ppm1      3.871 ppm2      3.713
 ASSI { 1682}
   (  segid    A and resid 35   and name  HG# )
   (( segid    A and resid 22   and name  HA2 ))

      6.000     4.200     0.000 peak  1682 weight  1.00000E+00 volume  4.29372E+07 ppm1      2.365 ppm2      4.366
 ASSI { 1891}
   (( segid    A and resid 81   and name  HA  ))
   (( segid    A and resid 65   and name  HB  ))

      6.000     4.200     0.000 peak  1891 weight  1.00000E+00 volume  2.17582E+08 ppm1      1.802 ppm2      5.118
 ASSI {  744}
   (( segid    A and resid 61   and name  HB  ))
   (( segid    A and resid 61   and name  HA  ))

      4.000     2.200     0.000 peak   744 weight  1.00000E+00 volume  9.39520E+08 ppm1      3.882 ppm2      1.623
 ASSI {  827}
   (( segid    A and resid 63   and name  HA  ))
   (( segid    A and resid 63   and name  HB1 ))

      4.000     2.200     0.000 peak   827 weight  1.00000E+00 volume  1.04414E+09 ppm1      3.395 ppm2      4.702
 ASSI { 1037}
   (( segid    A and resid 10   and name  HA  ))
   (( segid    A and resid 10   and name  HB  ))

      5.000     3.200     0.000 peak  1037 weight  1.00000E+00 volume  4.72588E+08 ppm1      1.683 ppm2      4.296
 ASSI { 1467}
   (  segid    A and resid 55   and name  HG2#)
   (( segid    A and resid 64   and name  HA  ))

      6.000     4.200     0.000 peak  1467 weight  1.00000E+00 volume  2.74246E+08 ppm1      1.081 ppm2      5.473
 ASSI { 2665}
   (  segid    A and resid 44   and name  HD1#)
   (( segid    A and resid 25   and name  HA  ))

      6.000     4.200     0.000 peak  2665 weight  1.00000E+00 volume  2.29291E+06 ppm1      5.125 ppm2      0.517
 ASSI { 2757}
   (( segid    A and resid 27   and name  HB2 ))
   (  segid    A and resid 53   and name  HD2#)

      6.000     4.200     0.000 peak  2757 weight  1.00000E+00 volume  9.01712E+06 ppm1      4.852 ppm2      0.716
 ASSI { 1503}
   (( segid    A and resid 6    and name  HD1 ))
   (( segid    A and resid 6    and name  HD2 ))

      2.800     1.000     0.000 peak  1503 weight  1.00000E+00 volume  1.10152E+10 ppm1      3.134 ppm2      3.050
 ASSI { 1394}
   (( segid    A and resid 66   and name  HB1 ))
   (( segid    A and resid 66   and name  HB2 ))

      2.800     1.000     0.000 peak  1394 weight  1.00000E+00 volume  9.72917E+09 ppm1      2.655 ppm2      2.554
 ASSI { 1690}
   (( segid    A and resid 28   and name  HA  ))
   (( segid    A and resid 28   and name  HB1 ))

      4.000     2.200     0.000 peak  1690 weight  1.00000E+00 volume  1.81268E+09 ppm1      4.198 ppm2      2.402
 ASSI { 1180}
   (  segid    A and resid 35   and name  HG# )
   (( segid    A and resid 24   and name  HA  ))

      5.000     3.200     0.000 peak  1180 weight  1.00000E+00 volume  2.76944E+08 ppm1      4.951 ppm2      2.341
 ASSI { 2112}
   (( segid    A and resid 79   and name  HA  ))
   (( segid    A and resid 79   and name  HG  ))

      5.000     3.200     0.000 peak  2112 weight  1.00000E+00 volume  6.91968E+08 ppm1      5.108 ppm2      1.302
 ASSI { 2399}
   (( segid    A and resid 45   and name  HB2 ))
   (( segid    A and resid 6    and name  HG1 ))

      5.000     3.200     0.000 peak  2399 weight  1.00000E+00 volume  5.28649E+06 ppm1      3.627 ppm2      1.488
 ASSI {   90}
   (( segid    A and resid 49   and name  HD1 ))
   (( segid    A and resid 48   and name  HA  ))

      4.000     2.200     0.000 peak    90 weight  1.00000E+00 volume  1.89931E+09 ppm1      4.681 ppm2      4.030
 ASSI { 2027}
   (( segid    A and resid 34   and name  HA1 ))
   (  segid    A and resid 44   and name  HD1#)

      5.000     3.200     0.000 peak  2027 weight  1.00000E+00 volume  4.60302E+08 ppm1      4.082 ppm2      0.502
 ASSI {   95}
   (( segid    A and resid 63   and name  HA  ))
   (( segid    A and resid 81   and name  HA  ))

      5.000     3.200     0.000 peak    95 weight  1.00000E+00 volume  7.57322E+08 ppm1      5.135 ppm2      4.699
 ASSI {  750}
   (( segid    A and resid 56   and name  HA  ))
   (( segid    A and resid 56   and name  HB2 ))

      4.000     2.200     0.000 peak   750 weight  1.00000E+00 volume  7.60055E+08 ppm1      5.518 ppm2      2.440
 ASSI { 1057}
   (( segid    A and resid 78   and name  HB1 ))
   (( segid    A and resid 78   and name  HA  ))

      4.000     2.200     0.000 peak  1057 weight  1.00000E+00 volume  1.34940E+09 ppm1      5.012 ppm2      1.457
 ASSI { 2673}
   (  segid    A and resid 55   and name  HG2#)
   (( segid    A and resid 25   and name  HB  ))

      6.000     4.200     0.000 peak  2673 weight  1.00000E+00 volume  2.24526E+06 ppm1      1.748 ppm2      1.020
 ASSI { 1975}
   (( segid    A and resid 13   and name  HB1 ))
   (( segid    A and resid 17   and name  HB1 ))

      6.000     4.200     0.000 peak  1975 weight  1.00000E+00 volume  3.76189E+07 ppm1      1.931 ppm2      4.050
 ASSI { 1819}
   (  segid    A and resid 35   and name  HG# )
   (( segid    A and resid 24   and name  HB1 ))

      5.000     3.200     0.000 peak  1819 weight  1.00000E+00 volume  3.25549E+08 ppm1      3.989 ppm2      2.352
 ASSI { 1657}
   (( segid    A and resid 35   and name  HG2 ))
   (( segid    A and resid 24   and name  HA  ))

      6.000     4.200     0.000 peak  1657 weight  1.00000E+00 volume  3.10678E+08 ppm1      2.367 ppm2      4.943
 ASSI { 2755}
   (( segid    A and resid 31   and name  HB1 ))
   (( segid    A and resid 27   and name  HA  ))

      6.000     4.200     0.000 peak  2755 weight  1.00000E+00 volume  1.22188E+06 ppm1      1.673 ppm2      4.719
 ASSI { 1583}
   (( segid    A and resid 51   and name  HB1 ))
   (( segid    A and resid 66   and name  HA  ))

      6.000     4.200     0.000 peak  1583 weight  1.00000E+00 volume  9.22604E+07 ppm1      5.127 ppm2      1.803
 ASSI {  609}
   (( segid    A and resid 27   and name  HB2 ))
   (( segid    A and resid 31   and name  HB2 ))

      5.000     3.200     0.000 peak   609 weight  1.00000E+00 volume  4.08568E+08 ppm1      4.854 ppm2      1.802
 ASSI { 2205}
   (( segid    A and resid 13   and name  HA  ))
   (( segid    A and resid 13   and name  HG  ))

      4.000     2.200     0.000 peak  2205 weight  1.00000E+00 volume  3.77323E+09 ppm1      5.037 ppm2      1.752
 ASSI { 2084}
   (( segid    A and resid 49   and name  HG1 ))
   (( segid    A and resid 49   and name  HD2 ))

      5.000     3.200     0.000 peak  2084 weight  1.00000E+00 volume  6.59731E+08 ppm1      3.739 ppm2      2.220
 ASSI {  581}
   (( segid    A and resid 27   and name  HB1 ))
   (( segid    A and resid 27   and name  HA  ))

      4.000     2.200     0.000 peak   581 weight  1.00000E+00 volume  1.07673E+09 ppm1      4.711 ppm2      3.916
 ASSI { 2403}
   (( segid    A and resid 45   and name  HB2 ))
   (  segid    A and resid 7    and name  HD2#)

      6.000     4.200     0.000 peak  2403 weight  1.00000E+00 volume  2.69265E+06 ppm1      3.630 ppm2      0.785
! ASSI {  673}
!   (( segid    A and resid 20   and name  HD2 ))
!   (( segid    A and resid 80   and name  HA  ))
!
!      6.000     4.200     0.000 peak   673 weight  1.00000E+00 volume  7.79763E+07 ppm1      4.883 ppm2      1.292
 ASSI {  896}
   (( segid    A and resid 31   and name  HB1 ))
   (( segid    A and resid 31   and name  HB2 ))

      2.800     1.000     0.000 peak   896 weight  1.00000E+00 volume  7.07438E+10 ppm1      1.778 ppm2      1.680
 ASSI { 1770}
   (( segid    A and resid 57   and name  HB1 ))
   (( segid    A and resid 57   and name  HE3 ))

      6.000     4.200     0.000 peak  1770 weight  1.00000E+00 volume  3.17601E+08 ppm1      3.717 ppm2      7.284
 ASSI { 1144}
   (  segid    A and resid 25   and name  HG1#)
   (  segid    A and resid 42   and name  HB# )

      5.000     3.200     0.000 peak  1144 weight  1.00000E+00 volume  1.84183E+10 ppm1      1.039 ppm2      0.675
 ASSI { 2461}
   (( segid    A and resid 30   and name  HA1 ))
   (  segid    A and resid 26   and name  HG2#)

      6.000     4.200     0.000 peak  2461 weight  1.00000E+00 volume  4.11209E+06 ppm1      3.650 ppm2      1.029
 ASSI {  993}
   (  segid    A and resid 53   and name  HD1#)
   (( segid    A and resid 65   and name  HB  ))

      5.000     3.200     0.000 peak   993 weight  1.00000E+00 volume  6.77328E+08 ppm1      0.468 ppm2      1.795
 ASSI {  597}
   (( segid    A and resid 36   and name  HB  ))
   (( segid    A and resid 23   and name  HA  ))

      6.000     4.200     0.000 peak   597 weight  1.00000E+00 volume  7.11223E+07 ppm1      4.718 ppm2      1.946
 ASSI { 1921}
   (  segid    A and resid 60   and name  HE# )
   (( segid    A and resid 60   and name  HB2 ))

      5.000     3.200     0.000 peak  1921 weight  1.00000E+00 volume  4.95776E+08 ppm1      2.854 ppm2      1.626
 ASSI { 2579}
   (( segid    A and resid 62   and name  HG2 ))
   (( segid    A and resid 62   and name  HB1 ))

      5.000     3.200     0.000 peak  2579 weight  1.00000E+00 volume  6.87723E+06 ppm1      1.158 ppm2      1.792
 ASSI {  780}
   (( segid    A and resid 40   and name  HA1 ))
   (  segid    A and resid 36   and name  HG2#)

      5.000     3.200     0.000 peak   780 weight  1.00000E+00 volume  7.65555E+08 ppm1      0.691 ppm2      3.252
 ASSI { 2092}
   (( segid    A and resid 63   and name  HA  ))
   (( segid    A and resid 55   and name  HB  ))

      6.000     4.200     0.000 peak  2092 weight  1.00000E+00 volume  1.12347E+08 ppm1      4.700 ppm2      2.381
 ASSI {  694}
   (( segid    A and resid 43   and name  HB2 ))
   (  segid    A and resid 7    and name  HD2#)

      6.000     4.200     0.000 peak   694 weight  1.00000E+00 volume  5.79103E+07 ppm1      2.930 ppm2      0.771
 ASSI { 2321}
   (( segid    A and resid 79   and name  HA  ))
   (( segid    A and resid 80   and name  HG1 ))

      5.000     3.200     0.000 peak  2321 weight  1.00000E+00 volume  3.04790E+08 ppm1      1.987 ppm2      5.113
 OR { 2321}
   (( segid    A and resid 81   and name  HA  ))
   (( segid    A and resid 80   and name  HG1 ))
 ASSI {   60}
   (( segid    A and resid 26   and name  HA  ))
   (( segid    A and resid 32   and name  HA  ))

      4.000     2.200     0.000 peak    60 weight  1.00000E+00 volume  1.29306E+09 ppm1      4.425 ppm2      5.437
 ASSI { 2313}
   (( segid    A and resid 80   and name  HD1 ))
   (( segid    A and resid 80   and name  HG2 ))

      4.000     2.200     0.000 peak  2313 weight  1.00000E+00 volume  1.12618E+09 ppm1      2.208 ppm2      3.831
 ASSI {  589}
   (( segid    A and resid 15   and name  HB1 ))
   (( segid    A and resid 15   and name  HA  ))

      4.000     2.200     0.000 peak   589 weight  1.00000E+00 volume  1.53975E+09 ppm1      4.552 ppm2      3.106
 ASSI { 2211}
   (( segid    A and resid 81   and name  HB1 ))
   (( segid    A and resid 81   and name  HB2 ))

      4.000     2.200     0.000 peak  2211 weight  1.00000E+00 volume  2.17773E+09 ppm1      2.655 ppm2      3.302
 ASSI { 2081}
   (  segid    A and resid 48   and name  HG2#)
   (( segid    A and resid 49   and name  HD2 ))

      6.000     4.200     0.000 peak  2081 weight  1.00000E+00 volume  7.57847E+08 ppm1      3.740 ppm2      1.192
 ASSI {  987}
   (  segid    A and resid 13   and name  HD1#)
   (( segid    A and resid 57   and name  HZ3 ))

      6.000     4.200     0.000 peak   987 weight  1.00000E+00 volume  1.84931E+08 ppm1      1.082 ppm2      6.812
 ASSI { 2696}
   (( segid    A and resid 80   and name  HD1 ))
   (( segid    A and resid 79   and name  HG  ))

      6.000     4.200     0.000 peak  2696 weight  1.00000E+00 volume  3.25054E+06 ppm1      1.313 ppm2      3.840
 ASSI { 2253}
   (( segid    A and resid 26   and name  HB  ))
   (( segid    A and resid 30   and name  HA2 ))

      5.000     3.200     0.000 peak  2253 weight  1.00000E+00 volume  1.47957E+08 ppm1      3.985 ppm2      4.233
 ASSI { 1446}
   (( segid    A and resid 64   and name  HB1 ))
   (( segid    A and resid 64   and name  HG2 ))

      4.000     2.200     0.000 peak  1446 weight  1.00000E+00 volume  2.58579E+09 ppm1      2.106 ppm2      1.930
 ASSI { 2026}
   (( segid    A and resid 34   and name  HA2 ))
   (  segid    A and resid 44   and name  HD1#)

      5.000     3.200     0.000 peak  2026 weight  1.00000E+00 volume  4.08870E+08 ppm1      4.484 ppm2      0.502
 ASSI { 2065}
   (( segid    A and resid 52   and name  HA  ))
   (( segid    A and resid 52   and name  HB  ))

      5.000     3.200     0.000 peak  2065 weight  1.00000E+00 volume  7.74800E+08 ppm1      3.923 ppm2      5.081
 ASSI { 1626}
   (( segid    A and resid 40   and name  HA2 ))
   (  segid    A and resid 18   and name  HG# )

      6.000     4.200     0.000 peak  1626 weight  1.00000E+00 volume  4.36548E+08 ppm1      2.265 ppm2      3.960
 ASSI { 2730}
   (( segid    A and resid 38   and name  HA  ))
   (  segid    A and resid 21   and name  HE# )

      6.000     4.200     0.000 peak  2730 weight  1.00000E+00 volume  1.87257E+06 ppm1      4.788 ppm2      7.341
 ASSI {  793}
   (  segid    A and resid 65   and name  HG2#)
   (( segid    A and resid 66   and name  HA  ))

      5.000     3.200     0.000 peak   793 weight  1.00000E+00 volume  4.88401E+09 ppm1      0.722 ppm2      5.126
 ASSI { 1155}
   (  segid    A and resid 55   and name  HG1#)
   (( segid    A and resid 55   and name  HB  ))

      4.000     2.200     0.000 peak  1155 weight  1.00000E+00 volume  1.65149E+09 ppm1      0.859 ppm2      2.373
 ASSI { 1451}
   (  segid    A and resid 55   and name  HG2#)
   (( segid    A and resid 64   and name  HB1 ))

      4.000     2.200     0.000 peak  1451 weight  1.00000E+00 volume  5.60134E+08 ppm1      1.956 ppm2      1.079
 ASSI { 2251}
   (  segid    A and resid 36   and name  HG# )
   (( segid    A and resid 23   and name  HA  ))

      6.000     4.200     0.000 peak  2251 weight  1.00000E+00 volume  2.07651E+08 ppm1      0.613 ppm2      4.703
 ASSI { 1940}
   (( segid    A and resid 8    and name  HB1 ))
   (( segid    A and resid 8    and name  HB2 ))

      4.000     2.200     0.000 peak  1940 weight  1.00000E+00 volume  1.56024E+09 ppm1      2.756 ppm2      2.518
 ASSI {  398}
   (( segid    A and resid 49   and name  HD2 ))
   (( segid    A and resid 48   and name  HB  ))

      4.000     2.200     0.000 peak   398 weight  1.00000E+00 volume  1.84807E+09 ppm1      3.741 ppm2      4.006
 ASSI { 1870}
   (  segid    A and resid 36   and name  HG# )
   (( segid    A and resid 18   and name  HG1 ))

      6.000     4.200     0.000 peak  1870 weight  1.00000E+00 volume  3.45382E+08 ppm1      0.697 ppm2      2.254
 ASSI { 2147}
   (( segid    A and resid 81   and name  HA  ))
   (  segid    A and resid 13   and name  HD1#)

      6.000     4.200     0.000 peak  2147 weight  1.00000E+00 volume  7.12112E+07 ppm1      5.137 ppm2      1.075
 ASSI {   98}
   (( segid    A and resid 81   and name  HB1 ))
   (( segid    A and resid 81   and name  HA  ))

      4.000     2.200     0.000 peak    98 weight  1.00000E+00 volume  9.75424E+08 ppm1      5.132 ppm2      2.650
 ASSI { 1814}
   (( segid    A and resid 24   and name  HB2 ))
   (( segid    A and resid 56   and name  HB1 ))

      5.000     3.200     0.000 peak  1814 weight  1.00000E+00 volume  2.90633E+08 ppm1      3.882 ppm2      2.734
 ASSI { 1442}
   (( segid    A and resid 64   and name  HG2 ))
   (( segid    A and resid 61   and name  HG11))

      5.000     3.200     0.000 peak  1442 weight  1.00000E+00 volume  1.86964E+08 ppm1      2.107 ppm2      1.077
 ASSI { 2185}
   (  segid    A and resid 55   and name  HG2#)
   (( segid    A and resid 65   and name  HA  ))

      6.000     4.200     0.000 peak  2185 weight  1.00000E+00 volume  1.22189E+09 ppm1      1.075 ppm2      4.707
 ASSI { 1656}
   (( segid    A and resid 35   and name  HG1 ))
   (( segid    A and resid 24   and name  HA  ))

      6.000     4.200     0.000 peak  1656 weight  1.00000E+00 volume  9.55490E+07 ppm1      2.317 ppm2      4.950
 ASSI { 1083}
   (  segid    A and resid 61   and name  HG2#)
   (( segid    A and resid 54   and name  HA  ))

      6.000     4.200     0.000 peak  1083 weight  1.00000E+00 volume  3.64999E+08 ppm1      0.731 ppm2      5.015
 ASSI {  275}
   (( segid    A and resid 17   and name  HA  ))
   (( segid    A and resid 17   and name  HB2 ))

      4.000     2.200     0.000 peak   275 weight  1.00000E+00 volume  1.75752E+09 ppm1      3.883 ppm2      4.424
 ASSI { 1231}
   (( segid    A and resid 13   and name  HB2 ))
   (( segid    A and resid 17   and name  HB1 ))

      6.000     4.200     0.000 peak  1231 weight  1.00000E+00 volume  1.72233E+08 ppm1      4.060 ppm2      1.839
 ASSI { 1384}
   (( segid    A and resid 66   and name  HB1 ))
   (( segid    A and resid 66   and name  HA  ))

      4.000     2.200     0.000 peak  1384 weight  1.00000E+00 volume  1.82783E+09 ppm1      5.120 ppm2      2.649
 ASSI { 1337}
   (  segid    A and resid 36   and name  HG2#)
   (( segid    A and resid 19   and name  HA  ))

      6.000     4.200     0.000 peak  1337 weight  1.00000E+00 volume  1.38489E+08 ppm1      3.654 ppm2      0.688
 ASSI { 1194}
   (( segid    A and resid 18   and name  HG1 ))
   (( segid    A and resid 17   and name  HA  ))

      5.000     3.200     0.000 peak  1194 weight  1.00000E+00 volume  2.25513E+08 ppm1      4.429 ppm2      2.257
 ASSI { 1630}
   (( segid    A and resid 62   and name  HA  ))
   (( segid    A and resid 57   and name  HZ3 ))

      6.000     4.200     0.000 peak  1630 weight  1.00000E+00 volume  3.21370E+07 ppm1      4.028 ppm2      6.814
 ASSI { 2041}
   (( segid    A and resid 50   and name  HA1 ))
   (( segid    A and resid 50   and name  HA2 ))

      4.000     2.200     0.000 peak  2041 weight  1.00000E+00 volume  3.42620E+09 ppm1      3.782 ppm2      4.324
 ASSI { 2677}
   (  segid    A and resid 25   and name  HG1#)
   (( segid    A and resid 36   and name  HB  ))

      6.000     4.200     0.000 peak  2677 weight  1.00000E+00 volume  3.87576E+06 ppm1      0.671 ppm2      1.944
 ASSI {  613}
   (( segid    A and resid 27   and name  HB1 ))
   (( segid    A and resid 31   and name  HB2 ))

      5.000     3.200     0.000 peak   613 weight  1.00000E+00 volume  5.80328E+08 ppm1      3.917 ppm2      1.801
 ASSI { 2489}
   (( segid    A and resid 80   and name  HD2 ))
   (( segid    A and resid 79   and name  HA  ))

      4.000     2.200     0.000 peak  2489 weight  1.00000E+00 volume  2.81366E+07 ppm1      3.821 ppm2      5.112
 OR { 2489}
   (( segid    A and resid 80   and name  HD2 ))
   (( segid    A and resid 81   and name  HA  ))
 ASSI { 1589}
   (( segid    A and resid 23   and name  HA  ))
   (( segid    A and resid 57   and name  HE3 ))

      6.000     4.200     0.000 peak  1589 weight  1.00000E+00 volume  2.44006E+08 ppm1      4.718 ppm2      7.317
 ASSI { 1779}
   (( segid    A and resid 57   and name  HD1 ))
   (( segid    A and resid 23   and name  HA  ))

      6.000     4.200     0.000 peak  1779 weight  1.00000E+00 volume  1.05928E+08 ppm1      4.720 ppm2      7.209
 ASSI { 1043}
   (( segid    A and resid 78   and name  HB1 ))
   (  segid    A and resid 10   and name  HG2#)

      5.000     3.200     0.000 peak  1043 weight  1.00000E+00 volume  7.25167E+08 ppm1      0.770 ppm2      1.470
 ASSI {  600}
   (  segid    A and resid 23   and name  HB# )
   (( segid    A and resid 23   and name  HA  ))

      4.000     2.200     0.000 peak   600 weight  1.00000E+00 volume  1.82638E+09 ppm1      4.719 ppm2      1.368
 ASSI {  956}
   (( segid    A and resid 53   and name  HB2 ))
   (( segid    A and resid 53   and name  HG  ))

      4.000     2.200     0.000 peak   956 weight  1.00000E+00 volume  6.30915E+09 ppm1      1.318 ppm2      1.509
 ASSI { 2570}
   (( segid    A and resid 62   and name  HG2 ))
   (( segid    A and resid 56   and name  HA  ))

      6.000     4.200     0.000 peak  2570 weight  1.00000E+00 volume  2.86017E+06 ppm1      1.786 ppm2      5.525
 ASSI { 1543}
   (( segid    A and resid 12   and name  HB1 ))
   (( segid    A and resid 18   and name  HG1 ))

      6.000     4.200     0.000 peak  1543 weight  1.00000E+00 volume  8.27029E+07 ppm1      1.678 ppm2      2.252
 ASSI { 2401}
   (( segid    A and resid 6    and name  HB1 ))
   (( segid    A and resid 45   and name  HB1 ))

      6.000     4.200     0.000 peak  2401 weight  1.00000E+00 volume  3.38314E+06 ppm1      3.749 ppm2      1.750
 ASSI { 2393}
   (( segid    A and resid 53   and name  HB1 ))
   (( segid    A and resid 27   and name  HB1 ))

      6.000     4.200     0.000 peak  2393 weight  1.00000E+00 volume  1.97937E+06 ppm1      3.920 ppm2      1.566
 ASSI { 2798}
   (( segid    A and resid 9    and name  HA  ))
   (  segid    A and resid 9    and name  HB# )

      4.000     2.200     0.000 peak  2798 weight  1.00000E+00 volume  2.89387E+07 ppm1      5.096 ppm2      1.135
 ASSI { 1326}
   (( segid    A and resid 18   and name  HB1 ))
   (( segid    A and resid 57   and name  HH2 ))

      6.000     4.200     0.000 peak  1326 weight  1.00000E+00 volume  8.61869E+07 ppm1      1.822 ppm2      6.975
 ASSI { 2460}
   (( segid    A and resid 30   and name  HA2 ))
   (  segid    A and resid 26   and name  HG2#)

      6.000     4.200     0.000 peak  2460 weight  1.00000E+00 volume  3.79147E+06 ppm1      4.231 ppm2      1.036
 ASSI { 1708}
   (( segid    A and resid 32   and name  HA  ))
   (( segid    A and resid 32   and name  HG2 ))

      5.000     3.200     0.000 peak  1708 weight  1.00000E+00 volume  1.28909E+09 ppm1      4.426 ppm2      2.145
 ASSI { 1713}
   (( segid    A and resid 38   and name  HA  ))
   (( segid    A and resid 39   and name  HA  ))

      6.000     4.200     0.000 peak  1713 weight  1.00000E+00 volume  5.89250E+07 ppm1      3.855 ppm2      4.798
 ASSI { 2022}
   (( segid    A and resid 34   and name  HA1 ))
   (( segid    A and resid 44   and name  HA  ))

      6.000     4.200     0.000 peak  2022 weight  1.00000E+00 volume  1.71740E+08 ppm1      4.085 ppm2      4.859
 ASSI { 1228}
   (  segid    A and resid 61   and name  HD1#)
   (( segid    A and resid 54   and name  HA  ))

      6.000     4.200     0.000 peak  1228 weight  1.00000E+00 volume  3.78759E+08 ppm1      5.014 ppm2      0.847
 ASSI { 1795}
   (( segid    A and resid 20   and name  HD1 ))
   (  segid    A and resid 13   and name  HD2#)

      6.000     4.200     0.000 peak  1795 weight  1.00000E+00 volume  8.31316E+08 ppm1      2.144 ppm2      0.961
 ASSI { 1777}
   (( segid    A and resid 57   and name  HB1 ))
   (  segid    A and resid 23   and name  HB# )

      5.000     3.200     0.000 peak  1777 weight  1.00000E+00 volume  6.26240E+08 ppm1      3.723 ppm2      1.366
 ASSI { 2546}
   (( segid    A and resid 49   and name  HG2 ))
   (  segid    A and resid 48   and name  HG2#)

      6.000     4.200     0.000 peak  2546 weight  1.00000E+00 volume  3.64338E+06 ppm1      1.734 ppm2      1.166
 ASSI { 1198}
   (( segid    A and resid 26   and name  HA  ))
   (  segid    A and resid 25   and name  HG2#)

      6.000     4.200     0.000 peak  1198 weight  1.00000E+00 volume  2.59562E+08 ppm1      5.436 ppm2      0.767
 ASSI {  884}
   (( segid    A and resid 38   and name  HA  ))
   (  segid    A and resid 39   and name  HG# )

      6.000     4.200     0.000 peak   884 weight  1.00000E+00 volume  1.65966E+08 ppm1      4.788 ppm2      2.212
 ASSI { 1520}
   (( segid    A and resid 12   and name  HA  ))
   (( segid    A and resid 12   and name  HD1 ))

      5.000     3.200     0.000 peak  1520 weight  1.00000E+00 volume  4.86876E+08 ppm1      4.913 ppm2      3.050
 ASSI {  100}
   (( segid    A and resid 53   and name  HB2 ))
   (( segid    A and resid 81   and name  HA  ))

      6.000     4.200     0.000 peak   100 weight  1.00000E+00 volume  1.14167E+08 ppm1      5.133 ppm2      1.285
 ASSI {  815}
   (( segid    A and resid 21   and name  HB1 ))
   (( segid    A and resid 37   and name  HA  ))

      6.000     4.200     0.000 peak   815 weight  1.00000E+00 volume  1.44104E+08 ppm1      2.921 ppm2      4.190
 ASSI { 1065}
   (( segid    A and resid 61   and name  HG11))
   (( segid    A and resid 61   and name  HB  ))

      4.000     2.200     0.000 peak  1065 weight  1.00000E+00 volume  4.92896E+08 ppm1      1.633 ppm2      1.025
 ASSI { 1170}
   (( segid    A and resid 14   and name  HA  ))
   (  segid    A and resid 14   and name  HB# )

      5.000     3.200     0.000 peak  1170 weight  1.00000E+00 volume  2.12922E+09 ppm1      4.077 ppm2      1.517
 ASSI { 2070}
   (( segid    A and resid 49   and name  HG2 ))
   (( segid    A and resid 48   and name  HA  ))

      5.000     3.200     0.000 peak  2070 weight  1.00000E+00 volume  3.10969E+08 ppm1      4.679 ppm2      1.709
 ASSI {  742}
   (( segid    A and resid 56   and name  HB2 ))
   (( segid    A and resid 61   and name  HA  ))

      5.000     3.200     0.000 peak   742 weight  1.00000E+00 volume  2.22902E+08 ppm1      3.879 ppm2      2.440
 ASSI { 1590}
   (  segid    A and resid 18   and name  HB# )
   (( segid    A and resid 18   and name  HG1 ))

      4.000     2.200     0.000 peak  1590 weight  1.00000E+00 volume  1.47093E+09 ppm1      1.868 ppm2      2.262
 ASSI {   63}
   (( segid    A and resid 56   and name  HA  ))
   (( segid    A and resid 61   and name  HA  ))

      4.000     2.200     0.000 peak    63 weight  1.00000E+00 volume  9.98758E+08 ppm1      3.883 ppm2      5.518
 ASSI {  713}
   (  segid    A and resid 21   and name  HD# )
   (( segid    A and resid 22   and name  HA2 ))

      6.000     4.200     0.000 peak   713 weight  1.00000E+00 volume  1.07582E+08 ppm1      4.322 ppm2      7.043
 ASSI { 1916}
   (( segid    A and resid 60   and name  HB2 ))
   (( segid    A and resid 60   and name  HG1 ))

      5.000     3.200     0.000 peak  1916 weight  1.00000E+00 volume  3.80034E+08 ppm1      1.190 ppm2      1.633
 ASSI { 1701}
   (( segid    A and resid 32   and name  HA  ))
   (( segid    A and resid 32   and name  HG1 ))

      5.000     3.200     0.000 peak  1701 weight  1.00000E+00 volume  4.09039E+08 ppm1      4.427 ppm2      2.327
 ASSI {  337}
   (( segid    A and resid 21   and name  HA  ))
   (( segid    A and resid 37   and name  HA  ))

      5.000     3.200     0.000 peak   337 weight  1.00000E+00 volume  4.70343E+08 ppm1      3.932 ppm2      4.188
 ASSI { 1561}
   (( segid    A and resid 31   and name  HA  ))
   (  segid    A and resid 31   and name  HD# )

      5.000     3.200     0.000 peak  1561 weight  1.00000E+00 volume  2.29533E+08 ppm1      4.380 ppm2      3.151
 ASSI {  943}
   (  segid    A and resid 55   and name  HG2#)
   (( segid    A and resid 53   and name  HA  ))

      6.000     4.200     0.000 peak   943 weight  1.00000E+00 volume  1.64247E+08 ppm1      4.990 ppm2      1.044
 ASSI { 1677}
   (( segid    A and resid 35   and name  HG2 ))
   (( segid    A and resid 24   and name  HB2 ))

      6.000     4.200     0.000 peak  1677 weight  1.00000E+00 volume  1.04919E+08 ppm1      2.367 ppm2      3.874
 ASSI { 1175}
   (  segid    A and resid 36   and name  HG2#)
   (( segid    A and resid 42   and name  HA  ))

      6.000     4.200     0.000 peak  1175 weight  1.00000E+00 volume  6.14725E+08 ppm1      4.997 ppm2      0.670
 ASSI {  836}
   (( segid    A and resid 63   and name  HB2 ))
   (( segid    A and resid 55   and name  HB  ))

      6.000     4.200     0.000 peak   836 weight  1.00000E+00 volume  6.08687E+07 ppm1      2.945 ppm2      2.380
 ASSI { 2257}
   (( segid    A and resid 26   and name  HB  ))
   (( segid    A and resid 25   and name  HB  ))

      6.000     4.200     0.000 peak  2257 weight  1.00000E+00 volume  2.44598E+08 ppm1      3.981 ppm2      1.803
 ASSI { 1187}
   (( segid    A and resid 45   and name  HB1 ))
   (( segid    A and resid 45   and name  HA  ))

      4.000     2.200     0.000 peak  1187 weight  1.00000E+00 volume  8.93291E+08 ppm1      4.734 ppm2      3.746
 ASSI { 1312}
   (( segid    A and resid 81   and name  HB2 ))
   (  segid    A and resid 13   and name  HD1#)

      5.000     3.200     0.000 peak  1312 weight  1.00000E+00 volume  1.09616E+09 ppm1      1.081 ppm2      3.320
 ASSI { 1447}
   (( segid    A and resid 64   and name  HG1 ))
   (( segid    A and resid 64   and name  HG2 ))

      4.000     2.200     0.000 peak  1447 weight  1.00000E+00 volume  1.89281E+09 ppm1      2.314 ppm2      2.105
 ASSI { 1444}
   (( segid    A and resid 64   and name  HG2 ))
   (  segid    A and resid 61   and name  HG2#)

      6.000     4.200     0.000 peak  1444 weight  1.00000E+00 volume  1.64614E+08 ppm1      2.103 ppm2      0.721
 ASSI {   26}
   (( segid    A and resid 43   and name  HB1 ))
   (( segid    A and resid 43   and name  HA  ))

      5.000     3.200     0.000 peak    26 weight  1.00000E+00 volume  6.40217E+08 ppm1      5.041 ppm2      3.187
 ASSI { 2853}
   (( segid    A and resid 20   and name  HB2 ))
   (  segid    A and resid 13   and name  HD2#)

      6.000     4.200     0.000 peak  2853 weight  1.00000E+00 volume  1.31793E+07 ppm1      1.867 ppm2      0.965
 ASSI { 2702}
   (( segid    A and resid 55   and name  HB  ))
   (( segid    A and resid 55   and name  HA  ))

      5.000     3.200     0.000 peak  2702 weight  1.00000E+00 volume  4.78120E+06 ppm1      2.379 ppm2      5.082
 ASSI { 2316}
   (( segid    A and resid 80   and name  HB1 ))
   (( segid    A and resid 80   and name  HG2 ))

      4.000     2.200     0.000 peak  2316 weight  1.00000E+00 volume  9.69918E+08 ppm1      2.207 ppm2      1.844
 ASSI {  482}
   (( segid    A and resid 45   and name  HB1 ))
   (( segid    A and resid 45   and name  HB2 ))

      2.800     1.000     0.000 peak   482 weight  1.00000E+00 volume  2.59166E+09 ppm1      3.628 ppm2      3.746
 ASSI {  914}
   (( segid    A and resid 44   and name  HA  ))
   (  segid    A and resid 44   and name  HD2#)

      5.000     3.200     0.000 peak   914 weight  1.00000E+00 volume  1.51841E+08 ppm1      0.558 ppm2      4.866
 ASSI { 1643}
   (( segid    A and resid 62   and name  HG1 ))
   (( segid    A and resid 62   and name  HA  ))

      5.000     3.200     0.000 peak  1643 weight  1.00000E+00 volume  4.47956E+08 ppm1      4.032 ppm2      0.211
 ASSI { 1058}
   (( segid    A and resid 10   and name  HB  ))
   (( segid    A and resid 78   and name  HA  ))

      4.000     2.200     0.000 peak  1058 weight  1.00000E+00 volume  2.29996E+09 ppm1      5.013 ppm2      1.689
 ASSI { 1705}
   (( segid    A and resid 32   and name  HA  ))
   (  segid    A and resid 26   and name  HG2#)

      5.000     3.200     0.000 peak  1705 weight  1.00000E+00 volume  1.24398E+09 ppm1      4.425 ppm2      1.027
 ASSI { 1727}
   (( segid    A and resid 62   and name  HG1 ))
   (( segid    A and resid 57   and name  HA  ))

      6.000     4.200     0.000 peak  1727 weight  1.00000E+00 volume  2.67532E+07 ppm1      4.962 ppm2      0.192
 ASSI { 1811}
   (( segid    A and resid 24   and name  HB1 ))
   (( segid    A and resid 24   and name  HB2 ))

      2.800     1.000     0.000 peak  1811 weight  1.00000E+00 volume  7.72378E+09 ppm1      3.885 ppm2      3.984
 ASSI { 2563}
   (( segid    A and resid 62   and name  HG1 ))
   (( segid    A and resid 62   and name  HB1 ))

      5.000     3.200     0.000 peak  2563 weight  1.00000E+00 volume  6.08792E+06 ppm1      0.228 ppm2      1.157
 ASSI { 1250}
   (( segid    A and resid 57   and name  HZ2 ))
   (( segid    A and resid 57   and name  HH2 ))

      5.000     3.200     0.000 peak  1250 weight  1.00000E+00 volume  4.58866E+08 ppm1      7.413 ppm2      6.983
 ASSI { 1611}
   (  segid    A and resid 18   and name  HB# )
   (  segid    A and resid 18   and name  HG# )

      4.000     2.200     0.000 peak  1611 weight  1.00000E+00 volume  3.09118E+09 ppm1      2.266 ppm2      1.832
 ASSI { 2699}
   (  segid    A and resid 53   and name  HD2#)
   (( segid    A and resid 55   and name  HB  ))

      6.000     4.200     0.000 peak  2699 weight  1.00000E+00 volume  4.88264E+06 ppm1      2.378 ppm2      0.712
 ASSI { 2456}
   (( segid    A and resid 30   and name  HA1 ))
   (( segid    A and resid 30   and name  HA2 ))

      4.000     2.200     0.000 peak  2456 weight  1.00000E+00 volume  5.97128E+07 ppm1      4.244 ppm2      3.633
 ASSI {  773}
   (  segid    A and resid 25   and name  HG2#)
   (  segid    A and resid 25   and name  HG1#)

      5.000     3.200     0.000 peak   773 weight  1.00000E+00 volume  2.92591E+09 ppm1      0.671 ppm2      0.874
 ASSI {  595}
   (( segid    A and resid 57   and name  HB2 ))
   (( segid    A and resid 23   and name  HA  ))

      5.000     3.200     0.000 peak   595 weight  1.00000E+00 volume  2.93557E+08 ppm1      4.719 ppm2      3.321
 ASSI {  603}
   (  segid    A and resid 36   and name  HG2#)
   (( segid    A and resid 23   and name  HA  ))

      6.000     4.200     0.000 peak   603 weight  1.00000E+00 volume  7.81237E+07 ppm1      4.710 ppm2      0.650
 ASSI { 2217}
   (( segid    A and resid 81   and name  HB1 ))
   (  segid    A and resid 13   and name  HD2#)

      6.000     4.200     0.000 peak  2217 weight  1.00000E+00 volume  1.65913E+08 ppm1      2.656 ppm2      0.902
 ASSI { 1217}
   (( segid    A and resid 64   and name  HG2 ))
   (( segid    A and resid 64   and name  HA  ))

      5.000     3.200     0.000 peak  1217 weight  1.00000E+00 volume  3.75720E+08 ppm1      5.479 ppm2      2.098
 ASSI { 1599}
   (  segid    A and resid 18   and name  HB# )
   (( segid    A and resid 40   and name  HA1 ))

      5.000     3.200     0.000 peak  1599 weight  1.00000E+00 volume  2.00694E+08 ppm1      1.864 ppm2      3.247
 ASSI { 1618}
   (( segid    A and resid 18   and name  HB2 ))
   (  segid    A and resid 13   and name  HD2#)

      6.000     4.200     0.000 peak  1618 weight  1.00000E+00 volume  1.30282E+08 ppm1      1.871 ppm2      0.901
 ASSI { 2000}
   (  segid    A and resid 32   and name  HB# )
   (( segid    A and resid 32   and name  HG1 ))

      4.000     2.200     0.000 peak  2000 weight  1.00000E+00 volume  3.98951E+09 ppm1      2.103 ppm2      2.314
 ASSI { 1027}
   (( segid    A and resid 10   and name  HB  ))
   (( segid    A and resid 10   and name  HG11))

      5.000     3.200     0.000 peak  1027 weight  1.00000E+00 volume  9.01010E+08 ppm1      1.333 ppm2      1.674
 ASSI { 1710}
   (( segid    A and resid 39   and name  HA  ))
   (( segid    A and resid 39   and name  HB1 ))

      4.000     2.200     0.000 peak  1710 weight  1.00000E+00 volume  2.46008E+09 ppm1      3.856 ppm2      2.273
 ASSI {   14}
   (( segid    A and resid 43   and name  HA  ))
   (( segid    A and resid 43   and name  HD1 ))

      5.000     3.200     0.000 peak    14 weight  1.00000E+00 volume  7.77849E+08 ppm1      5.039 ppm2      6.713
 ASSI { 1304}
   (( segid    A and resid 57   and name  HZ2 ))
   (  segid    A and resid 13   and name  HD2#)

      6.000     4.200     0.000 peak  1304 weight  1.00000E+00 volume  1.77406E+08 ppm1      7.415 ppm2      0.900
 ASSI { 1971}
   (  segid    A and resid 13   and name  HD1#)
   (( segid    A and resid 13   and name  HB2 ))

      6.000     4.200     0.000 peak  1971 weight  1.00000E+00 volume  3.72942E+08 ppm1      1.835 ppm2      1.081
 ASSI { 2846}
   (( segid    A and resid 20   and name  HB1 ))
   (( segid    A and resid 20   and name  HB2 ))

      4.000     2.200     0.000 peak  2846 weight  1.00000E+00 volume  4.03620E+07 ppm1      1.622 ppm2      1.860
 ASSI {  942}
   (( segid    A and resid 53   and name  HA  ))
   (  segid    A and resid 53   and name  HD1#)

      6.000     4.200     0.000 peak   942 weight  1.00000E+00 volume  3.53743E+08 ppm1      4.980 ppm2      0.475
! ASSI { 2317}
!   (( segid    A and resid 20   and name  HD2 ))
!   (( segid    A and resid 80   and name  HG2 ))
!
!      6.000     4.200     0.000 peak  2317 weight  1.00000E+00 volume  1.55321E+08 ppm1      2.206 ppm2      1.286
 ASSI {  658}
   (( segid    A and resid 40   and name  HA2 ))
   (( segid    A and resid 18   and name  HA  ))

      6.000     4.200     0.000 peak   658 weight  1.00000E+00 volume  1.72729E+08 ppm1      4.967 ppm2      3.980
 ASSI { 2471}
   (( segid    A and resid 46   and name  HA2 ))
   (( segid    A and resid 33   and name  HA  ))

      6.000     4.200     0.000 peak  2471 weight  1.00000E+00 volume  1.29255E+06 ppm1      3.682 ppm2      4.739
 ASSI { 1095}
   (  segid    A and resid 54   and name  HB# )
   (( segid    A and resid 64   and name  HA  ))

      6.000     4.200     0.000 peak  1095 weight  1.00000E+00 volume  1.11999E+08 ppm1      3.799 ppm2      5.486
 ASSI {  102}
   (( segid    A and resid 81   and name  HA  ))
   (  segid    A and resid 65   and name  HG2#)

      5.000     3.200     0.000 peak   102 weight  1.00000E+00 volume  1.80702E+09 ppm1      5.132 ppm2      0.716
 ASSI {  599}
   (( segid    A and resid 35   and name  HB1 ))
   (( segid    A and resid 23   and name  HA  ))

      6.000     4.200     0.000 peak   599 weight  1.00000E+00 volume  4.99368E+07 ppm1      4.727 ppm2      1.827
 ASSI { 1989}
   (( segid    A and resid 57   and name  HB1 ))
   (( segid    A and resid 60   and name  HG2 ))

      6.000     4.200     0.000 peak  1989 weight  1.00000E+00 volume  1.24010E+08 ppm1      3.720 ppm2      0.998
 ASSI { 1184}
   (  segid    A and resid 25   and name  HG1#)
   (( segid    A and resid 24   and name  HA  ))

      6.000     4.200     0.000 peak  1184 weight  1.00000E+00 volume  3.04981E+08 ppm1      4.950 ppm2      0.668
 ASSI {   13}
   (( segid    A and resid 38   and name  HA  ))
   (  segid    A and resid 21   and name  HD# )

      6.000     4.200     0.000 peak    13 weight  1.00000E+00 volume  3.07468E+08 ppm1      4.792 ppm2      7.041
 ASSI {  768}
   (  segid    A and resid 25   and name  HG1#)
   (( segid    A and resid 25   and name  HA  ))

      4.000     2.200     0.000 peak   768 weight  1.00000E+00 volume  1.31716E+09 ppm1      0.671 ppm2      5.113
 ASSI { 1703}
   (( segid    A and resid 32   and name  HA  ))
   (( segid    A and resid 25   and name  HB  ))

      6.000     4.200     0.000 peak  1703 weight  1.00000E+00 volume  2.39614E+08 ppm1      4.415 ppm2      1.790
 ASSI {  875}
   (  segid    A and resid 37   and name  HB# )
   (( segid    A and resid 37   and name  HA  ))

      5.000     3.200     0.000 peak   875 weight  1.00000E+00 volume  1.68745E+09 ppm1      4.197 ppm2      1.481
 ASSI { 2668}
   (  segid    A and resid 55   and name  HG1#)
   (( segid    A and resid 25   and name  HA  ))

      6.000     4.200     0.000 peak  2668 weight  1.00000E+00 volume  8.46419E+06 ppm1      5.125 ppm2      0.859
 ASSI {  103}
   (( segid    A and resid 24   and name  HB1 ))
   (( segid    A and resid 24   and name  HA  ))

      4.000     2.200     0.000 peak   103 weight  1.00000E+00 volume  1.09055E+09 ppm1      3.986 ppm2      4.946
 ASSI { 1780}
   (( segid    A and resid 56   and name  HA  ))
   (( segid    A and resid 57   and name  HA  ))

      6.000     4.200     0.000 peak  1780 weight  1.00000E+00 volume  5.32640E+07 ppm1      4.971 ppm2      5.498
 ASSI { 2002}
   (( segid    A and resid 32   and name  HB2 ))
   (( segid    A and resid 32   and name  HG1 ))

      4.000     2.200     0.000 peak  2002 weight  1.00000E+00 volume  2.59144E+09 ppm1      2.032 ppm2      2.325
 ASSI { 1644}
   (( segid    A and resid 62   and name  HG1 ))
   (( segid    A and resid 62   and name  HB2 ))

      5.000     3.200     0.000 peak  1644 weight  1.00000E+00 volume  3.00227E+08 ppm1      0.515 ppm2      0.211
 ASSI { 1723}
   (( segid    A and resid 57   and name  HD1 ))
   (( segid    A and resid 60   and name  HG2 ))

      6.000     4.200     0.000 peak  1723 weight  1.00000E+00 volume  7.46023E+07 ppm1      7.184 ppm2      0.977
 ASSI { 2149}
   (( segid    A and resid 63   and name  HB2 ))
   (( segid    A and resid 81   and name  HA  ))

      6.000     4.200     0.000 peak  2149 weight  1.00000E+00 volume  7.92482E+07 ppm1      5.128 ppm2      2.956
 ASSI { 1132}
   (  segid    A and resid 25   and name  HG2#)
   (  segid    A and resid 44   and name  HD1#)

      5.000     3.200     0.000 peak  1132 weight  1.00000E+00 volume  2.86818E+09 ppm1      0.760 ppm2      0.493
 ASSI { 2406}
   (( segid    A and resid 45   and name  HB1 ))
   (( segid    A and resid 6    and name  HD2 ))

      6.000     4.200     0.000 peak  2406 weight  1.00000E+00 volume  1.54168E+06 ppm1      3.760 ppm2      3.144
 ASSI { 1825}
   (( segid    A and resid 61   and name  HG11))
   (( segid    A and resid 24   and name  HB1 ))

      5.000     3.200     0.000 peak  1825 weight  1.00000E+00 volume  1.40768E+08 ppm1      3.988 ppm2      1.029
 ASSI { 2629}
   (( segid    A and resid 44   and name  HB2 ))
   (  segid    A and resid 25   and name  HG2#)

      6.000     4.200     0.000 peak  2629 weight  1.00000E+00 volume  1.16293E+07 ppm1      1.702 ppm2      0.762
 ASSI { 2284}
   (( segid    A and resid 84   and name  HA  ))
   (  segid    A and resid 84   and name  HG# )

      4.000     2.200     0.000 peak  2284 weight  1.00000E+00 volume  7.12316E+08 ppm1      4.209 ppm2      2.228
 ASSI { 1978}
   (( segid    A and resid 13   and name  HA  ))
   (( segid    A and resid 13   and name  HB2 ))

      5.000     3.200     0.000 peak  1978 weight  1.00000E+00 volume  6.20000E+08 ppm1      1.836 ppm2      5.032
 ASSI { 1613}
   (  segid    A and resid 36   and name  HG2#)
   (  segid    A and resid 18   and name  HG# )

      6.000     4.200     0.000 peak  1613 weight  1.00000E+00 volume  4.41356E+08 ppm1      2.263 ppm2      0.725
 ASSI {  807}
   (( segid    A and resid 21   and name  HB1 ))
   (( segid    A and resid 21   and name  HA  ))

      4.000     2.200     0.000 peak   807 weight  1.00000E+00 volume  9.58504E+08 ppm1      2.908 ppm2      3.928
 ASSI { 2815}
   (( segid    A and resid 38   and name  HB1 ))
   (  segid    A and resid 37   and name  HB# )

      6.000     4.200     0.000 peak  2815 weight  1.00000E+00 volume  1.56203E+06 ppm1      2.783 ppm2      1.478
 ASSI { 1792}
   (( segid    A and resid 20   and name  HB1 ))
   (( segid    A and resid 20   and name  HD1 ))

      5.000     3.200     0.000 peak  1792 weight  1.00000E+00 volume  1.87874E+08 ppm1      2.150 ppm2      1.624
 ASSI {  781}
   (( segid    A and resid 40   and name  HA2 ))
   (  segid    A and resid 36   and name  HG2#)

      5.000     3.200     0.000 peak   781 weight  1.00000E+00 volume  1.36323E+09 ppm1      0.691 ppm2      3.973
 ASSI { 2385}
   (( segid    A and resid 18   and name  HA  ))
   (( segid    A and resid 17   and name  HB1 ))

      6.000     4.200     0.000 peak  2385 weight  1.00000E+00 volume  1.05779E+06 ppm1      4.058 ppm2      4.986
 ASSI { 1782}
   (( segid    A and resid 20   and name  HD2 ))
   (( segid    A and resid 20   and name  HA  ))

      6.000     4.200     0.000 peak  1782 weight  1.00000E+00 volume  2.30125E+06 ppm1      1.312 ppm2      4.141
 ASSI { 1372}
   (( segid    A and resid 8    and name  HA  ))
   (  segid    A and resid 7    and name  HD2#)

      6.000     4.200     0.000 peak  1372 weight  1.00000E+00 volume  2.90967E+08 ppm1      5.008 ppm2      0.782
 ASSI { 2082}
   (( segid    A and resid 49   and name  HG2 ))
   (( segid    A and resid 49   and name  HD2 ))

      5.000     3.200     0.000 peak  2082 weight  1.00000E+00 volume  5.18628E+08 ppm1      3.741 ppm2      1.712
 ASSI { 1509}
   (( segid    A and resid 45   and name  HA  ))
   (( segid    A and resid 6    and name  HD1 ))

      6.000     4.200     0.000 peak  1509 weight  1.00000E+00 volume  3.36560E+07 ppm1      3.057 ppm2      4.740
 ASSI { 1982}
   (( segid    A and resid 13   and name  HB2 ))
   (( segid    A and resid 13   and name  HG  ))

      5.000     3.200     0.000 peak  1982 weight  1.00000E+00 volume  1.06747E+09 ppm1      1.833 ppm2      1.725
 ASSI { 1489}
   (( segid    A and resid 6    and name  HG1 ))
   (( segid    A and resid 6    and name  HD1 ))

      5.000     3.200     0.000 peak  1489 weight  1.00000E+00 volume  4.03796E+09 ppm1      1.509 ppm2      3.071
 ASSI { 1186}
   (( segid    A and resid 45   and name  HA  ))
   (  segid    A and resid 7    and name  HD2#)

      6.000     4.200     0.000 peak  1186 weight  1.00000E+00 volume  2.29188E+08 ppm1      4.733 ppm2      0.767
 ASSI { 1310}
   (  segid    A and resid 13   and name  HD2#)
   (  segid    A and resid 13   and name  HD1#)

      5.000     3.200     0.000 peak  1310 weight  1.00000E+00 volume  5.94501E+08 ppm1      1.079 ppm2      0.901
 ASSI { 1788}
   (( segid    A and resid 20   and name  HD1 ))
   (( segid    A and resid 20   and name  HD2 ))

      4.000     2.200     0.000 peak  1788 weight  1.00000E+00 volume  1.09213E+09 ppm1      1.311 ppm2      2.142
 ASSI { 2034}
   (( segid    A and resid 34   and name  HA2 ))
   (  segid    A and resid 35   and name  HB# )

      6.000     4.200     0.000 peak  2034 weight  1.00000E+00 volume  3.25266E+08 ppm1      4.472 ppm2      1.825
 ASSI { 1347}
   (( segid    A and resid 18   and name  HA  ))
   (( segid    A and resid 19   and name  HA  ))

      6.000     4.200     0.000 peak  1347 weight  1.00000E+00 volume  4.24090E+07 ppm1      3.652 ppm2      4.969
 ASSI {  946}
   (( segid    A and resid 53   and name  HB1 ))
   (  segid    A and resid 53   and name  HD1#)

      6.000     4.200     0.000 peak   946 weight  1.00000E+00 volume  5.11194E+08 ppm1      1.530 ppm2      0.471
 OR {  946}
   (  segid    A and resid 53   and name  HD1#)
   (( segid    A and resid 53   and name  HG  ))
 ASSI { 1029}
   (( segid    A and resid 10   and name  HG11))
   (( segid    A and resid 41   and name  HA  ))

      6.000     4.200     0.000 peak  1029 weight  1.00000E+00 volume  1.01986E+08 ppm1      1.336 ppm2      4.680
 ASSI { 1222}
   (( segid    A and resid 64   and name  HG2 ))
   (( segid    A and resid 54   and name  HA  ))

      5.000     3.200     0.000 peak  1222 weight  1.00000E+00 volume  3.39402E+08 ppm1      5.015 ppm2      2.102
 ASSI { 1922}
   (( segid    A and resid 60   and name  HG1 ))
   (( segid    A and resid 60   and name  HG2 ))

      4.000     2.200     0.000 peak  1922 weight  1.00000E+00 volume  2.69950E+09 ppm1      1.016 ppm2      1.187
 ASSI {   66}
   (( segid    A and resid 26   and name  HB  ))
   (( segid    A and resid 26   and name  HA  ))

      4.000     2.200     0.000 peak    66 weight  1.00000E+00 volume  9.86086E+08 ppm1      3.984 ppm2      5.438
 ASSI { 1836}
   (  segid    A and resid 38   and name  HB# )
   (( segid    A and resid 39   and name  HG1 ))

      5.000     3.200     0.000 peak  1836 weight  1.00000E+00 volume  2.34088E+08 ppm1      2.218 ppm2      2.759
 ASSI { 2188}
   (( segid    A and resid 47   and name  HB  ))
   (( segid    A and resid 47   and name  HA  ))

      5.000     3.200     0.000 peak  2188 weight  1.00000E+00 volume  7.43034E+08 ppm1      3.958 ppm2      1.841
 ASSI { 1055}
   (( segid    A and resid 33   and name  HA  ))
   (( segid    A and resid 33   and name  HB1 ))

      5.000     3.200     0.000 peak  1055 weight  1.00000E+00 volume  1.01359E+09 ppm1      4.685 ppm2      1.406
 ASSI { 1028}
   (( segid    A and resid 10   and name  HA  ))
   (( segid    A and resid 10   and name  HG11))

      5.000     3.200     0.000 peak  1028 weight  1.00000E+00 volume  2.81851E+08 ppm1      1.335 ppm2      4.295
 ASSI { 1479}
   (( segid    A and resid 6    and name  HA  ))
   (  segid    A and resid 7    and name  HD2#)

      6.000     4.200     0.000 peak  1479 weight  1.00000E+00 volume  4.74897E+08 ppm1      5.146 ppm2      0.765
! ASSI { 2326}
!   (( segid    A and resid 20   and name  HD2 ))
!   (( segid    A and resid 80   and name  HG1 ))
!
!      6.000     4.200     0.000 peak  2326 weight  1.00000E+00 volume  1.27240E+08 ppm1      1.999 ppm2      1.296
 ASSI { 2176}
   (( segid    A and resid 72   and name  HB  ))
   (  segid    A and resid 71   and name  HB# )

      6.000     4.200     0.000 peak  2176 weight  1.00000E+00 volume  4.11284E+08 ppm1      1.883 ppm2      1.149
 ASSI { 1786}
   (( segid    A and resid 20   and name  HD1 ))
   (( segid    A and resid 20   and name  HA  ))

      6.000     4.200     0.000 peak  1786 weight  1.00000E+00 volume  2.68139E+06 ppm1      2.155 ppm2      4.144
 ASSI { 2607}
   (  segid    A and resid 33   and name  HD2#)
   (  segid    A and resid 33   and name  HD1#)

      5.000     3.200     0.000 peak  2607 weight  1.00000E+00 volume  1.50387E+07 ppm1      1.774 ppm2      0.780
 ASSI { 1146}
   (( segid    A and resid 36   and name  HB  ))
   (( segid    A and resid 36   and name  HA  ))

      5.000     3.200     0.000 peak  1146 weight  1.00000E+00 volume  2.62644E+08 ppm1      3.840 ppm2      1.954
 ASSI { 2828}
   (( segid    A and resid 62   and name  HB2 ))
   (( segid    A and resid 56   and name  HA  ))

      6.000     4.200     0.000 peak  2828 weight  1.00000E+00 volume  9.89636E+05 ppm1      0.503 ppm2      5.549
 ASSI { 2298}
   (( segid    A and resid 80   and name  HD1 ))
   (  segid    A and resid 79   and name  HB# )

      6.000     4.200     0.000 peak  2298 weight  1.00000E+00 volume  2.47546E+08 ppm1      1.541 ppm2      3.841
 ASSI {  608}
   (( segid    A and resid 27   and name  HB1 ))
   (( segid    A and resid 27   and name  HB2 ))

      4.000     2.200     0.000 peak   608 weight  1.00000E+00 volume  2.73130E+09 ppm1      4.853 ppm2      3.915
 ASSI {  722}
   (( segid    A and resid 35   and name  HB1 ))
   (( segid    A and resid 22   and name  HA2 ))

      6.000     4.200     0.000 peak   722 weight  1.00000E+00 volume  4.43203E+08 ppm1      4.338 ppm2      1.856
 ASSI { 2245}
   (( segid    A and resid 57   and name  HB2 ))
   (  segid    A and resid 23   and name  HB# )

      6.000     4.200     0.000 peak  2245 weight  1.00000E+00 volume  5.45723E+08 ppm1      1.373 ppm2      3.323
 ASSI { 1030}
   (( segid    A and resid 78   and name  HA  ))
   (( segid    A and resid 10   and name  HG11))

      6.000     4.200     0.000 peak  1030 weight  1.00000E+00 volume  1.85647E+08 ppm1      1.333 ppm2      5.030
! ASSI { 1480}
!   (( segid    A and resid 25   and name  HB  ))
!   (( segid    A and resid 45   and name  HA  ))
!
!      5.000     3.200     0.000 peak  1480 weight  1.00000E+00 volume  4.58425E+08 ppm1      1.764 ppm2      4.728
 ASSI { 2439}
   (( segid    A and resid 26   and name  HA  ))
   (( segid    A and resid 30   and name  HA2 ))

      6.000     4.200     0.000 peak  2439 weight  1.00000E+00 volume  1.06350E+06 ppm1      5.445 ppm2      4.243
 ASSI { 1101}
   (  segid    A and resid 54   and name  HB# )
   (  segid    A and resid 61   and name  HG2#)

      6.000     4.200     0.000 peak  1101 weight  1.00000E+00 volume  6.02020E+08 ppm1      3.801 ppm2      0.727
 ASSI {  915}
   (( segid    A and resid 44   and name  HA  ))
   (( segid    A and resid 44   and name  HB1 ))

      5.000     3.200     0.000 peak   915 weight  1.00000E+00 volume  6.93082E+08 ppm1      4.860 ppm2      0.948
 ASSI {  605}
   (( segid    A and resid 57   and name  HB2 ))
   (( segid    A and resid 57   and name  HA  ))

      4.000     2.200     0.000 peak   605 weight  1.00000E+00 volume  9.90852E+08 ppm1      4.968 ppm2      3.325
 ASSI {  821}
   (( segid    A and resid 63   and name  HB1 ))
   (( segid    A and resid 63   and name  HB2 ))

      4.000     2.200     0.000 peak   821 weight  1.00000E+00 volume  2.33450E+09 ppm1      2.952 ppm2      3.392
 ASSI { 1225}
   (  segid    A and resid 61   and name  HD1#)
   (( segid    A and resid 64   and name  HA  ))

      6.000     4.200     0.000 peak  1225 weight  1.00000E+00 volume  2.49778E+08 ppm1      5.479 ppm2      0.853
 ASSI {  937}
   (( segid    A and resid 78   and name  HA  ))
   (  segid    A and resid 10   and name  HG2#)

      5.000     3.200     0.000 peak   937 weight  1.00000E+00 volume  1.46323E+09 ppm1      5.017 ppm2      0.805
 ASSI { 2189}
   (  segid    A and resid 47   and name  HG2#)
   (( segid    A and resid 47   and name  HA  ))

      4.000     2.200     0.000 peak  2189 weight  1.00000E+00 volume  2.54310E+09 ppm1      3.958 ppm2      0.773
 ASSI { 2858}
   (( segid    A and resid 21   and name  HB1 ))
   (( segid    A and resid 20   and name  HD2 ))

      6.000     4.200     0.000 peak  2858 weight  1.00000E+00 volume  1.20743E+06 ppm1      1.317 ppm2      2.915
 ASSI { 1687}
   (( segid    A and resid 35   and name  HB1 ))
   (( segid    A and resid 35   and name  HB2 ))

      2.800     1.000     0.000 peak  1687 weight  1.00000E+00 volume  2.05498E+10 ppm1      1.805 ppm2      1.845
 ASSI { 2392}
   (( segid    A and resid 53   and name  HB1 ))
   (( segid    A and resid 27   and name  HB2 ))

      6.000     4.200     0.000 peak  2392 weight  1.00000E+00 volume  1.87773E+06 ppm1      4.859 ppm2      1.569
 ASSI { 1066}
   (( segid    A and resid 61   and name  HB  ))
   (  segid    A and resid 61   and name  HG2#)

      4.000     2.200     0.000 peak  1066 weight  1.00000E+00 volume  1.38624E+09 ppm1      1.631 ppm2      0.730
 ASSI { 1689}
   (( segid    A and resid 28   and name  HA  ))
   (( segid    A and resid 28   and name  HB2 ))

      4.000     2.200     0.000 peak  1689 weight  1.00000E+00 volume  9.30808E+08 ppm1      4.198 ppm2      2.175
 ASSI { 1350}
   (( segid    A and resid 19   and name  HA  ))
   (( segid    A and resid 20   and name  HA  ))

      6.000     4.200     0.000 peak  1350 weight  1.00000E+00 volume  2.68708E+07 ppm1      3.645 ppm2      4.137
 ASSI {   18}
   (  segid    A and resid 21   and name  HE# )
   (( segid    A and resid 37   and name  HA  ))

      6.000     4.200     0.000 peak    18 weight  1.00000E+00 volume  5.62935E+08 ppm1      4.195 ppm2      7.342
 ASSI { 2148}
   (( segid    A and resid 81   and name  HA  ))
   (  segid    A and resid 13   and name  HD2#)

      6.000     4.200     0.000 peak  2148 weight  1.00000E+00 volume  1.59723E+08 ppm1      5.139 ppm2      0.888
 ASSI {   43}
   (( segid    A and resid 35   and name  HA  ))
   (( segid    A and resid 24   and name  HA  ))

      4.000     2.200     0.000 peak    43 weight  1.00000E+00 volume  1.05569E+09 ppm1      5.285 ppm2      4.946
 ASSI { 2085}
   (( segid    A and resid 49   and name  HB1 ))
   (( segid    A and resid 49   and name  HD2 ))

      5.000     3.200     0.000 peak  2085 weight  1.00000E+00 volume  1.32986E+08 ppm1      3.743 ppm2      2.488
 ASSI {  572}
   (( segid    A and resid 57   and name  HB1 ))
   (( segid    A and resid 57   and name  HB2 ))

      4.000     2.200     0.000 peak   572 weight  1.00000E+00 volume  1.33971E+09 ppm1      3.721 ppm2      3.324
 ASSI { 1438}
   (( segid    A and resid 64   and name  HG1 ))
   (  segid    A and resid 54   and name  HB# )

      6.000     4.200     0.000 peak  1438 weight  1.00000E+00 volume  8.77933E+07 ppm1      2.322 ppm2      3.765
 ASSI { 1418}
   (( segid    A and resid 78   and name  HB2 ))
   (  segid    A and resid 10   and name  HG2#)

      5.000     3.200     0.000 peak  1418 weight  1.00000E+00 volume  1.08031E+09 ppm1      1.702 ppm2      0.802
 ASSI {  586}
   (( segid    A and resid 53   and name  HB2 ))
   (( segid    A and resid 27   and name  HA  ))

      6.000     4.200     0.000 peak   586 weight  1.00000E+00 volume  1.13673E+08 ppm1      4.713 ppm2      1.319
 ASSI { 2476}
   (( segid    A and resid 59   and name  HA1 ))
   (( segid    A and resid 59   and name  HA2 ))

      4.000     2.200     0.000 peak  2476 weight  1.00000E+00 volume  4.27676E+07 ppm1      4.023 ppm2      3.661
 ASSI { 1219}
   (  segid    A and resid 64   and name  HB# )
   (( segid    A and resid 64   and name  HA  ))

      4.000     2.200     0.000 peak  1219 weight  1.00000E+00 volume  1.70181E+09 ppm1      5.479 ppm2      1.925
 ASSI {   94}
   (( segid    A and resid 65   and name  HA  ))
   (  segid    A and resid 65   and name  HG2#)

      4.000     2.200     0.000 peak    94 weight  1.00000E+00 volume  1.96320E+09 ppm1      4.701 ppm2      0.717
 ASSI { 2222}
   (( segid    A and resid 81   and name  HB2 ))
   (  segid    A and resid 65   and name  HG2#)

      6.000     4.200     0.000 peak  2222 weight  1.00000E+00 volume  4.27601E+08 ppm1      3.306 ppm2      0.716
 ASSI { 1834}
   (( segid    A and resid 38   and name  HB2 ))
   (( segid    A and resid 38   and name  HA  ))

      4.000     2.200     0.000 peak  1834 weight  1.00000E+00 volume  9.07672E+08 ppm1      2.705 ppm2      4.789
 ASSI { 2183}
   (( segid    A and resid 49   and name  HB1 ))
   (( segid    A and resid 49   and name  HA  ))

      4.000     2.200     0.000 peak  2183 weight  1.00000E+00 volume  8.31345E+08 ppm1      3.878 ppm2      2.492
 ASSI { 2071}
   (  segid    A and resid 48   and name  HG2#)
   (( segid    A and resid 48   and name  HA  ))

      5.000     3.200     0.000 peak  2071 weight  1.00000E+00 volume  1.09013E+09 ppm1      4.680 ppm2      1.188
 ASSI { 2291}
   (( segid    A and resid 84   and name  HB1 ))
   (  segid    A and resid 84   and name  HG# )

      4.000     2.200     0.000 peak  2291 weight  1.00000E+00 volume  1.15107E+10 ppm1      1.962 ppm2      2.218
 ASSI {  669}
   (( segid    A and resid 80   and name  HA  ))
   (( segid    A and resid 80   and name  HG2 ))

      4.000     2.200     0.000 peak   669 weight  1.00000E+00 volume  1.36449E+09 ppm1      4.886 ppm2      2.202
 ASSI { 1412}
   (( segid    A and resid 78   and name  HB1 ))
   (( segid    A and resid 78   and name  HB2 ))

      4.000     2.200     0.000 peak  1412 weight  1.00000E+00 volume  3.19461E+09 ppm1      1.704 ppm2      1.457
 ASSI { 2606}
   (  segid    A and resid 44   and name  HD1#)
   (  segid    A and resid 33   and name  HD2#)

      6.000     4.200     0.000 peak  2606 weight  1.00000E+00 volume  4.00169E+06 ppm1      1.770 ppm2      0.507
 ASSI { 2014}
   (( segid    A and resid 65   and name  HA  ))
   (( segid    A and resid 81   and name  HB1 ))

      6.000     4.200     0.000 peak  2014 weight  1.00000E+00 volume  9.86310E+07 ppm1      4.706 ppm2      2.632
 ASSI {  606}
   (  segid    A and resid 23   and name  HB# )
   (( segid    A and resid 57   and name  HA  ))

      6.000     4.200     0.000 peak   606 weight  1.00000E+00 volume  2.83021E+08 ppm1      4.969 ppm2      1.365
 ASSI { 1879}
   (( segid    A and resid 7    and name  HG  ))
   (( segid    A and resid 7    and name  HA  ))

      5.000     3.200     0.000 peak  1879 weight  1.00000E+00 volume  6.87187E+08 ppm1      1.461 ppm2      4.650
 ASSI {  878}
   (  segid    A and resid 36   and name  HG2#)
   (( segid    A and resid 37   and name  HA  ))

      6.000     4.200     0.000 peak   878 weight  1.00000E+00 volume  1.12391E+08 ppm1      4.197 ppm2      0.672
 ASSI { 1660}
   (( segid    A and resid 35   and name  HB2 ))
   (( segid    A and resid 22   and name  HA1 ))

      6.000     4.200     0.000 peak  1660 weight  1.00000E+00 volume  5.57736E+07 ppm1      1.835 ppm2      3.487
 ASSI {  583}
   (  segid    A and resid 53   and name  HD2#)
   (( segid    A and resid 27   and name  HA  ))

      4.000     2.200     0.000 peak   583 weight  1.00000E+00 volume  1.85136E+09 ppm1      4.711 ppm2      0.715
 ASSI { 1972}
   (  segid    A and resid 13   and name  HD2#)
   (( segid    A and resid 13   and name  HB2 ))

      6.000     4.200     0.000 peak  1972 weight  1.00000E+00 volume  4.59973E+08 ppm1      1.836 ppm2      0.894
 ASSI { 1736}
   (( segid    A and resid 58   and name  HB1 ))
   (( segid    A and resid 58   and name  HB2 ))

      2.800     1.000     0.000 peak  1736 weight  1.00000E+00 volume  2.78715E+09 ppm1      3.031 ppm2      2.556
 ASSI { 1616}
   (( segid    A and resid 18   and name  HB2 ))
   (  segid    A and resid 36   and name  HG2#)

      6.000     4.200     0.000 peak  1616 weight  1.00000E+00 volume  4.69682E+08 ppm1      1.863 ppm2      0.715
 ASSI {  727}
   (( segid    A and resid 82   and name  HB  ))
   (  segid    A and resid 82   and name  HG2#)

      4.000     2.200     0.000 peak   727 weight  1.00000E+00 volume  1.80404E+09 ppm1      4.335 ppm2      1.284
 ASSI {  785}
   (( segid    A and resid 18   and name  HB1 ))
   (  segid    A and resid 36   and name  HG2#)

      5.000     3.200     0.000 peak   785 weight  1.00000E+00 volume  2.85796E+09 ppm1      0.691 ppm2      1.833
 ASSI { 1011}
   (( segid    A and resid 10   and name  HG11))
   (  segid    A and resid 10   and name  HG2#)

      4.000     2.200     0.000 peak  1011 weight  1.00000E+00 volume  2.34022E+09 ppm1      1.334 ppm2      0.748
 ASSI {  899}
   (( segid    A and resid 31   and name  HB2 ))
   (  segid    A and resid 31   and name  HD# )

      5.000     3.200     0.000 peak   899 weight  1.00000E+00 volume  4.18075E+08 ppm1      1.779 ppm2      3.155
 ASSI { 1667}
   (  segid    A and resid 35   and name  HG# )
   (( segid    A and resid 35   and name  HB2 ))

      5.000     3.200     0.000 peak  1667 weight  1.00000E+00 volume  1.16830E+09 ppm1      1.844 ppm2      2.339
 ASSI {  758}
   (( segid    A and resid 62   and name  HG1 ))
   (( segid    A and resid 56   and name  HA  ))

      6.000     4.200     0.000 peak   758 weight  1.00000E+00 volume  1.28244E+08 ppm1      5.517 ppm2      0.220
 ASSI { 1823}
   (( segid    A and resid 24   and name  HB1 ))
   (  segid    A and resid 23   and name  HB# )

      6.000     4.200     0.000 peak  1823 weight  1.00000E+00 volume  5.59248E+07 ppm1      3.996 ppm2      1.384
 ASSI { 2182}
   (( segid    A and resid 49   and name  HG1 ))
   (( segid    A and resid 49   and name  HA  ))

      5.000     3.200     0.000 peak  2182 weight  1.00000E+00 volume  5.61769E+08 ppm1      3.877 ppm2      2.229
 ASSI { 1712}
   (  segid    A and resid 39   and name  HG# )
   (( segid    A and resid 39   and name  HA  ))

      4.000     2.200     0.000 peak  1712 weight  1.00000E+00 volume  2.33792E+09 ppm1      3.856 ppm2      2.182
 ASSI {  274}
   (( segid    A and resid 17   and name  HA  ))
   (( segid    A and resid 17   and name  HB1 ))

      4.000     2.200     0.000 peak   274 weight  1.00000E+00 volume  1.33372E+09 ppm1      4.057 ppm2      4.425
 ASSI {  585}
   (( segid    A and resid 53   and name  HB1 ))
   (( segid    A and resid 27   and name  HA  ))

      6.000     4.200     0.000 peak   585 weight  1.00000E+00 volume  1.51061E+08 ppm1      4.713 ppm2      1.542
 ASSI { 2307}
   (( segid    A and resid 80   and name  HA  ))
   (( segid    A and resid 79   and name  HA  ))

      6.000     4.200     0.000 peak  2307 weight  1.00000E+00 volume  1.02177E+08 ppm1      4.885 ppm2      5.096
 ASSI { 1223}
   (( segid    A and resid 64   and name  HB1 ))
   (( segid    A and resid 54   and name  HA  ))

      5.000     3.200     0.000 peak  1223 weight  1.00000E+00 volume  3.36194E+08 ppm1      5.014 ppm2      1.921
 ASSI { 1981}
   (( segid    A and resid 13   and name  HB1 ))
   (( segid    A and resid 13   and name  HG  ))

      4.000     2.200     0.000 peak  1981 weight  1.00000E+00 volume  2.72564E+09 ppm1      1.927 ppm2      1.723
 ASSI { 2200}
   (( segid    A and resid 53   and name  HG  ))
   (  segid    A and resid 65   and name  HG2#)

      5.000     3.200     0.000 peak  2200 weight  1.00000E+00 volume  3.57654E+09 ppm1      0.720 ppm2      1.522
 ASSI {   96}
   (( segid    A and resid 81   and name  HB2 ))
   (( segid    A and resid 81   and name  HA  ))

      5.000     3.200     0.000 peak    96 weight  1.00000E+00 volume  9.51349E+08 ppm1      3.307 ppm2      5.125
 ASSI {  376}
   (( segid    A and resid 17   and name  HB1 ))
   (( segid    A and resid 17   and name  HB2 ))

      2.800     1.000     0.000 peak   376 weight  1.00000E+00 volume  2.04485E+09 ppm1      3.884 ppm2      4.056
 ASSI { 1488}
   (( segid    A and resid 6    and name  HG1 ))
   (( segid    A and resid 6    and name  HD2 ))

      4.000     2.200     0.000 peak  1488 weight  1.00000E+00 volume  1.41029E+09 ppm1      1.502 ppm2      3.152
 ASSI { 1691}
   (( segid    A and resid 28   and name  HG2 ))
   (( segid    A and resid 28   and name  HA  ))

      4.000     2.200     0.000 peak  1691 weight  1.00000E+00 volume  1.18108E+09 ppm1      4.198 ppm2      2.507
 ASSI { 2031}
   (( segid    A and resid 34   and name  HA1 ))
   (  segid    A and resid 25   and name  HG2#)

      6.000     4.200     0.000 peak  2031 weight  1.00000E+00 volume  1.80661E+09 ppm1      4.070 ppm2      0.748
 ASSI {  813}
   (( segid    A and resid 38   and name  HA  ))
   (( segid    A and resid 21   and name  HB1 ))

      5.000     3.200     0.000 peak   813 weight  1.00000E+00 volume  7.20472E+07 ppm1      2.925 ppm2      4.793
 ASSI { 2077}
   (  segid    A and resid 52   and name  HG2#)
   (( segid    A and resid 52   and name  HB  ))

      5.000     3.200     0.000 peak  2077 weight  1.00000E+00 volume  2.42067E+09 ppm1      3.925 ppm2      1.074
 ASSI { 1232}
   (  segid    A and resid 13   and name  HD2#)
   (( segid    A and resid 17   and name  HB1 ))

      6.000     4.200     0.000 peak  1232 weight  1.00000E+00 volume  8.55307E+07 ppm1      4.060 ppm2      0.896
 ASSI { 1752}
   (( segid    A and resid 57   and name  HB2 ))
   (( segid    A and resid 60   and name  HG2 ))

      6.000     4.200     0.000 peak  1752 weight  1.00000E+00 volume  4.83404E+07 ppm1      1.014 ppm2      3.328
 ASSI { 2743}
   (  segid    A and resid 39   and name  HG# )
   (( segid    A and resid 39   and name  HB2 ))

      4.000     2.200     0.000 peak  2743 weight  1.00000E+00 volume  4.22026E+07 ppm1      2.078 ppm2      2.172
 ASSI {  391}
   (( segid    A and resid 26   and name  HB  ))
   (( segid    A and resid 32   and name  HA  ))

      5.000     3.200     0.000 peak   391 weight  1.00000E+00 volume  3.26037E+08 ppm1      4.428 ppm2      3.992
class N15

 ASSI {  654}
   (( segid    A and resid 34   and name  HA1 ))
   (( segid    A and resid 34   and name  HN  ))

      4.000     2.200     0.000 peak   654 weight  1.00000E+00 volume  1.78770E+09 ppm1      7.582 ppm2      4.048
 ASSI {  666}
   (( segid    A and resid 40   and name  HA1 ))
   (( segid    A and resid 40   and name  HN  ))

      4.000     2.200     0.000 peak   666 weight  1.00000E+00 volume  2.85255E+09 ppm1      8.852 ppm2      3.233
 ASSI {  279}
   (( segid    A and resid 27   and name  HN  ))
   (( segid    A and resid 31   and name  HN  ))

      5.000     3.200     0.000 peak   279 weight  1.00000E+00 volume  2.83235E+08 ppm1      9.033 ppm2      7.441
 ASSI {  573}
   (( segid    A and resid 7    and name  HA  ))
   (( segid    A and resid 7    and name  HN  ))

      5.000     3.200     0.000 peak   573 weight  1.00000E+00 volume  7.84105E+08 ppm1      8.526 ppm2      4.718
 ASSI {  816}
   (  segid    A and resid 47   and name  HG2#)
   (( segid    A and resid 48   and name  HN  ))

      5.000     3.200     0.000 peak   816 weight  1.00000E+00 volume  1.64392E+07 ppm1      9.548 ppm2      0.759
 ASSI {  209}
   (( segid    A and resid 16   and name  HN  ))
   (( segid    A and resid 15   and name  HN  ))

      4.000     2.200     0.000 peak   209 weight  1.00000E+00 volume  2.26458E+09 ppm1      7.837 ppm2      8.213
 ASSI {  782}
   (( segid    A and resid 84   and name  HE22))
   (( segid    A and resid 84   and name  HE21))

      2.500     0.700     0.000 peak   782 weight  1.00000E+00 volume  2.31186E+08 ppm1      7.221 ppm2      6.647
 ASSI {  634}
   (( segid    A and resid 28   and name  HB2 ))
   (( segid    A and resid 28   and name  HN  ))

      4.000     2.200     0.000 peak   634 weight  1.00000E+00 volume  1.16123E+09 ppm1      9.613 ppm2      2.164
 ASSI {  691}
   (( segid    A and resid 60   and name  HG2 ))
   (( segid    A and resid 60   and name  HN  ))

      5.000     3.200     0.000 peak   691 weight  1.00000E+00 volume  7.74889E+08 ppm1      7.370 ppm2      1.009
 ASSI {  577}
   (( segid    A and resid 8    and name  HB1 ))
   (( segid    A and resid 8    and name  HN  ))

      4.000     2.200     0.000 peak   577 weight  1.00000E+00 volume  1.12926E+09 ppm1      8.539 ppm2      2.526
 ASSI {  640}
   (( segid    A and resid 31   and name  HB1 ))
   (( segid    A and resid 31   and name  HN  ))

      4.000     2.200     0.000 peak   640 weight  1.00000E+00 volume  4.53117E+09 ppm1      7.431 ppm2      1.660
 ASSI {  542}
   (( segid    A and resid 51   and name  HB1 ))
   (( segid    A and resid 51   and name  HN  ))

      4.000     2.200     0.000 peak   542 weight  1.00000E+00 volume  3.22450E+09 ppm1      7.693 ppm2      1.832
 ASSI {  505}
   (( segid    A and resid 80   and name  HA  ))
   (( segid    A and resid 81   and name  HN  ))

      2.800     1.000     0.000 peak   505 weight  1.00000E+00 volume  5.61433E+09 ppm1      8.735 ppm2      4.867
 ASSI {  598}
   (( segid    A and resid 13   and name  HG  ))
   (( segid    A and resid 14   and name  HN  ))

      5.000     3.200     0.000 peak   598 weight  1.00000E+00 volume  3.54852E+09 ppm1      8.740 ppm2      1.703
 ASSI {  659}
   (( segid    A and resid 36   and name  HB  ))
   (( segid    A and resid 36   and name  HN  ))

      4.000     2.200     0.000 peak   659 weight  1.00000E+00 volume  4.41975E+09 ppm1      8.796 ppm2      1.922
 ASSI {  486}
   (( segid    A and resid 71   and name  HN  ))
   (( segid    A and resid 72   and name  HN  ))

      5.000     3.200     0.000 peak   486 weight  1.00000E+00 volume  3.46483E+08 ppm1      7.447 ppm2      7.962
 ASSI {  108}
   (( segid    A and resid 43   and name  HZ2 ))
   (( segid    A and resid 43   and name  HE1 ))

      4.000     2.200     0.000 peak   108 weight  1.00000E+00 volume  1.56260E+09 ppm1      9.728 ppm2      7.193
 ASSI {  492}
   (( segid    A and resid 74   and name  HN  ))
   (( segid    A and resid 75   and name  HN  ))

      5.000     3.200     0.000 peak   492 weight  1.00000E+00 volume  4.55019E+08 ppm1      8.789 ppm2      7.751
 ASSI {  255}
   (( segid    A and resid 24   and name  HN  ))
   (( segid    A and resid 56   and name  HN  ))

      5.000     3.200     0.000 peak   255 weight  1.00000E+00 volume  6.09382E+08 ppm1      8.775 ppm2      9.279
 ASSI {  514}
   (( segid    A and resid 7    and name  HN  ))
   (( segid    A and resid 6    and name  HN  ))

      5.000     3.200     0.000 peak   514 weight  1.00000E+00 volume  1.99326E+08 ppm1      8.171 ppm2      8.531
 ASSI {  810}
   (( segid    A and resid 65   and name  HA  ))
   (( segid    A and resid 66   and name  HN  ))

      2.800     1.000     0.000 peak   810 weight  1.00000E+00 volume  4.58072E+07 ppm1      9.036 ppm2      4.678
 ASSI {  349}
   (( segid    A and resid 10   and name  HA  ))
   (( segid    A and resid 42   and name  HN  ))

      5.000     3.200     0.000 peak   349 weight  1.00000E+00 volume  3.97449E+08 ppm1      9.296 ppm2      4.287
 ASSI {  584}
   (( segid    A and resid 11   and name  HA  ))
   (( segid    A and resid 11   and name  HN  ))

      4.000     2.200     0.000 peak   584 weight  1.00000E+00 volume  1.22565E+09 ppm1      8.767 ppm2      5.141
 ASSI {  330}
   (( segid    A and resid 36   and name  HN  ))
   (( segid    A and resid 37   and name  HN  ))

      5.000     3.200     0.000 peak   330 weight  1.00000E+00 volume  5.71000E+08 ppm1      9.069 ppm2      8.803
 ASSI {  239}
   (( segid    A and resid 22   and name  HN  ))
   (( segid    A and resid 23   and name  HN  ))

      4.000     2.200     0.000 peak   239 weight  1.00000E+00 volume  1.36423E+09 ppm1      8.940 ppm2      7.695
 ASSI {  626}
   (( segid    A and resid 43   and name  HB1 ))
   (( segid    A and resid 43   and name  HN  ))

      4.000     2.200     0.000 peak   626 weight  1.00000E+00 volume  1.46810E+09 ppm1      8.309 ppm2      3.156
 ASSI {  799}
   (( segid    A and resid 56   and name  HB2 ))
   (( segid    A and resid 56   and name  HD22))

      5.000     3.200     0.000 peak   799 weight  1.00000E+00 volume  3.06906E+06 ppm1      6.356 ppm2      2.409
 ASSI {  283}
   (( segid    A and resid 26   and name  HA  ))
   (( segid    A and resid 27   and name  HN  ))

      4.000     2.200     0.000 peak   283 weight  1.00000E+00 volume  3.67634E+09 ppm1      9.027 ppm2      5.415
 ASSI {  557}
   (( segid    A and resid 21   and name  HA  ))
   (( segid    A and resid 21   and name  HN  ))

      4.000     2.200     0.000 peak   557 weight  1.00000E+00 volume  1.54983E+09 ppm1      7.986 ppm2      3.912
 ASSI {  282}
   (( segid    A and resid 31   and name  HA  ))
   (( segid    A and resid 27   and name  HN  ))

      5.000     3.200     0.000 peak   282 weight  1.00000E+00 volume  6.71966E+08 ppm1      9.030 ppm2      4.392
 ASSI {  725}
   (  segid    A and resid 61   and name  HG2#)
   (( segid    A and resid 61   and name  HN  ))

      5.000     3.200     0.000 peak   725 weight  1.00000E+00 volume  9.73486E+08 ppm1      8.027 ppm2      0.724
 ASSI {  787}
   (( segid    A and resid 84   and name  HB2 ))
   (( segid    A and resid 84   and name  HN  ))

      4.000     2.200     0.000 peak   787 weight  1.00000E+00 volume  1.47222E+07 ppm1      8.447 ppm2      1.799
 ASSI {  386}
   (( segid    A and resid 65   and name  HB  ))
   (( segid    A and resid 53   and name  HN  ))

      5.000     3.200     0.000 peak   386 weight  1.00000E+00 volume  5.04316E+08 ppm1      9.369 ppm2      1.784
 ASSI {  537}
   (( segid    A and resid 36   and name  HN  ))
   (( segid    A and resid 35   and name  HN  ))

      5.000     3.200     0.000 peak   537 weight  1.00000E+00 volume  1.45038E+08 ppm1      8.437 ppm2      8.797
 ASSI {  783}
   (( segid    A and resid 84   and name  HA  ))
   (( segid    A and resid 84   and name  HN  ))

      4.000     2.200     0.000 peak   783 weight  1.00000E+00 volume  1.06710E+07 ppm1      8.450 ppm2      4.191
 ASSI {  747}
   (  segid    A and resid 42   and name  HB# )
   (( segid    A and resid 42   and name  HN  ))

      5.000     3.200     0.000 peak   747 weight  1.00000E+00 volume  3.25040E+09 ppm1      9.307 ppm2      1.023
 ASSI {  147}
   (( segid    A and resid 75   and name  HE22))
   (( segid    A and resid 75   and name  HE21))

      2.500     0.700     0.000 peak   147 weight  1.00000E+00 volume  1.40608E+10 ppm1      6.730 ppm2      7.410
 ASSI {  625}
   (( segid    A and resid 25   and name  HB  ))
   (( segid    A and resid 25   and name  HN  ))

      4.000     2.200     0.000 peak   625 weight  1.00000E+00 volume  2.08319E+09 ppm1      8.331 ppm2      1.721
 ASSI {  819}
   (( segid    A and resid 45   and name  HB2 ))
   (( segid    A and resid 45   and name  HN  ))

      5.000     3.200     0.000 peak   819 weight  1.00000E+00 volume  8.02646E+06 ppm1      8.336 ppm2      3.641
 ASSI {  317}
   (( segid    A and resid 34   and name  HA1 ))
   (( segid    A and resid 35   and name  HN  ))

      4.000     2.200     0.000 peak   317 weight  1.00000E+00 volume  3.24030E+09 ppm1      8.431 ppm2      4.048
 ASSI {  607}
   (( segid    A and resid 16   and name  HA2 ))
   (( segid    A and resid 16   and name  HN  ))

      4.000     2.200     0.000 peak   607 weight  1.00000E+00 volume  3.14532E+09 ppm1      8.209 ppm2      4.358
 ASSI {   98}
   (( segid    A and resid 57   and name  HA  ))
   (( segid    A and resid 57   and name  HN  ))

      4.000     2.200     0.000 peak    98 weight  1.00000E+00 volume  9.47153E+08 ppm1      8.246 ppm2      4.950
 ASSI {    2}
   (( segid    A and resid 57   and name  HD1 ))
   (( segid    A and resid 57   and name  HE1 ))

      2.800     1.000     0.000 peak     2 weight  1.00000E+00 volume  4.12403E+09 ppm1     10.190 ppm2      7.170
 ASSI {  530}
   (( segid    A and resid 25   and name  HN  ))
   (( segid    A and resid 26   and name  HN  ))

      6.000     4.200     0.000 peak   530 weight  1.00000E+00 volume  1.40306E+08 ppm1      9.522 ppm2      8.336
 ASSI {  457}
   (  segid    A and resid 55   and name  HG2#)
   (( segid    A and resid 63   and name  HN  ))

      6.000     4.200     0.000 peak   457 weight  1.00000E+00 volume  5.25105E+08 ppm1      7.823 ppm2      1.019
 ASSI {  394}
   (  segid    A and resid 52   and name  HG2#)
   (( segid    A and resid 65   and name  HN  ))

      6.000     4.200     0.000 peak   394 weight  1.00000E+00 volume  1.09319E+09 ppm1      8.777 ppm2      1.064
 ASSI {  338}
   (( segid    A and resid 39   and name  HA  ))
   (( segid    A and resid 40   and name  HN  ))

      4.000     2.200     0.000 peak   338 weight  1.00000E+00 volume  3.28938E+09 ppm1      8.852 ppm2      3.861
 ASSI {  513}
   (( segid    A and resid 27   and name  HN  ))
   (( segid    A and resid 30   and name  HN  ))

      5.000     3.200     0.000 peak   513 weight  1.00000E+00 volume  2.15579E+08 ppm1      8.049 ppm2      9.027
 ASSI {  789}
   (( segid    A and resid 58   and name  HB2 ))
   (( segid    A and resid 58   and name  HN  ))

      5.000     3.200     0.000 peak   789 weight  1.00000E+00 volume  3.42482E+06 ppm1      9.448 ppm2      3.017
 ASSI {  410}
   (( segid    A and resid 63   and name  HN  ))
   (( segid    A and resid 62   and name  HN  ))

      4.000     2.200     0.000 peak   410 weight  1.00000E+00 volume  2.46762E+09 ppm1      7.828 ppm2      8.504
 ASSI {  416}
   (( segid    A and resid 57   and name  HN  ))
   (( segid    A and resid 62   and name  HN  ))

      5.000     3.200     0.000 peak   416 weight  1.00000E+00 volume  4.83916E+08 ppm1      8.240 ppm2      8.500
 ASSI {   90}
   (( segid    A and resid 56   and name  HB1 ))
   (( segid    A and resid 56   and name  HD21))

      5.000     3.200     0.000 peak    90 weight  1.00000E+00 volume  5.17395E+08 ppm1      6.755 ppm2      2.724
 ASSI {  817}
   (  segid    A and resid 48   and name  HG2#)
   (( segid    A and resid 48   and name  HN  ))

      6.000     4.200     0.000 peak   817 weight  1.00000E+00 volume  4.65328E+06 ppm1      9.543 ppm2      1.170
 ASSI {  234}
   (( segid    A and resid 17   and name  HB2 ))
   (( segid    A and resid 18   and name  HN  ))

      4.000     2.200     0.000 peak   234 weight  1.00000E+00 volume  1.59603E+09 ppm1      8.224 ppm2      3.873
 ASSI {  431}
   (( segid    A and resid 59   and name  HA1 ))
   (( segid    A and resid 60   and name  HN  ))

      5.000     3.200     0.000 peak   431 weight  1.00000E+00 volume  1.38557E+09 ppm1      7.375 ppm2      3.658
 ASSI {  204}
   (( segid    A and resid 14   and name  HN  ))
   (( segid    A and resid 13   and name  HN  ))

      4.000     2.200     0.000 peak   204 weight  1.00000E+00 volume  7.21488E+08 ppm1      8.738 ppm2      8.830
 ASSI {  809}
   (( segid    A and resid 66   and name  HB1 ))
   (( segid    A and resid 66   and name  HN  ))

      4.000     2.200     0.000 peak   809 weight  1.00000E+00 volume  2.14695E+07 ppm1      9.035 ppm2      2.566
 ASSI {  296}
   (( segid    A and resid 27   and name  HB1 ))
   (( segid    A and resid 30   and name  HN  ))

      5.000     3.200     0.000 peak   296 weight  1.00000E+00 volume  2.67962E+08 ppm1      8.055 ppm2      3.960
 ASSI {  440}
   (( segid    A and resid 58   and name  HB2 ))
   (( segid    A and resid 62   and name  HE22))

      5.000     3.200     0.000 peak   440 weight  1.00000E+00 volume  4.67294E+08 ppm1      6.012 ppm2      3.002
 ASSI {  752}
   (( segid    A and resid 59   and name  HA2 ))
   (( segid    A and resid 59   and name  HN  ))

      4.000     2.200     0.000 peak   752 weight  1.00000E+00 volume  2.12273E+09 ppm1      8.455 ppm2      4.010
 ASSI {  458}
   (( segid    A and resid 62   and name  HB2 ))
   (( segid    A and resid 63   and name  HN  ))

      5.000     3.200     0.000 peak   458 weight  1.00000E+00 volume  7.03168E+08 ppm1      7.829 ppm2      0.502
 ASSI {  729}
   (( segid    A and resid 61   and name  HA  ))
   (( segid    A and resid 61   and name  HN  ))

      4.000     2.200     0.000 peak   729 weight  1.00000E+00 volume  9.19391E+08 ppm1      8.025 ppm2      3.868
 ASSI {  272}
   (( segid    A and resid 54   and name  HA  ))
   (( segid    A and resid 26   and name  HN  ))

      4.000     2.200     0.000 peak   272 weight  1.00000E+00 volume  5.40998E+08 ppm1      9.529 ppm2      4.997
 ASSI {  268}
   (( segid    A and resid 25   and name  HB  ))
   (( segid    A and resid 26   and name  HN  ))

      5.000     3.200     0.000 peak   268 weight  1.00000E+00 volume  6.36913E+08 ppm1      9.528 ppm2      1.729
 ASSI {  502}
   (( segid    A and resid 78   and name  HA  ))
   (( segid    A and resid 77   and name  HN  ))

      4.000     2.200     0.000 peak   502 weight  1.00000E+00 volume  5.58867E+09 ppm1      8.404 ppm2      4.990
 ASSI {  157}
   (( segid    A and resid 3    and name  HN  ))
   (( segid    A and resid 3    and name  HA  ))

      5.000     3.200     0.000 peak   157 weight  1.00000E+00 volume  7.05706E+08 ppm1      8.158 ppm2      4.331
 ASSI {  815}
   (( segid    A and resid 47   and name  HB  ))
   (( segid    A and resid 48   and name  HN  ))

      5.000     3.200     0.000 peak   815 weight  1.00000E+00 volume  6.71736E+06 ppm1      9.543 ppm2      1.829
 ASSI {  370}
   (( segid    A and resid 50   and name  HN  ))
   (( segid    A and resid 67   and name  HA  ))

      4.000     2.200     0.000 peak   370 weight  1.00000E+00 volume  7.00379E+09 ppm1      7.223 ppm2      3.862
 ASSI {  645}
   (( segid    A and resid 32   and name  HG2 ))
   (( segid    A and resid 32   and name  HN  ))

      4.000     2.200     0.000 peak   645 weight  1.00000E+00 volume  4.31497E+09 ppm1      8.920 ppm2      2.062
 OR {  645}
   (  segid    A and resid 32   and name  HB# )
   (( segid    A and resid 32   and name  HN  ))
 ASSI {  588}
   (( segid    A and resid 41   and name  HA  ))
   (( segid    A and resid 11   and name  HN  ))

      5.000     3.200     0.000 peak   588 weight  1.00000E+00 volume  1.72164E+09 ppm1      8.767 ppm2      4.648
 ASSI {  480}
   (( segid    A and resid 70   and name  HN  ))
   (  segid    A and resid 69   and name  HG# )

      5.000     3.200     0.000 peak   480 weight  1.00000E+00 volume  3.92636E+08 ppm1      7.196 ppm2      2.228
 ASSI {  456}
   (  segid    A and resid 61   and name  HG2#)
   (( segid    A and resid 63   and name  HN  ))

      5.000     3.200     0.000 peak   456 weight  1.00000E+00 volume  1.37158E+09 ppm1      7.822 ppm2      0.708
 ASSI {  715}
   (  segid    A and resid 65   and name  HG2#)
   (( segid    A and resid 65   and name  HN  ))

      5.000     3.200     0.000 peak   715 weight  1.00000E+00 volume  2.76644E+09 ppm1      8.772 ppm2      0.703
 ASSI {  560}
   (( segid    A and resid 82   and name  HA  ))
   (( segid    A and resid 82   and name  HN  ))

      4.000     2.200     0.000 peak   560 weight  1.00000E+00 volume  1.19598E+09 ppm1      9.376 ppm2      4.933
 ASSI {   61}
   (( segid    A and resid 18   and name  HE22))
   (( segid    A and resid 18   and name  HE21))

      2.500     0.700     0.000 peak    61 weight  1.00000E+00 volume  1.29124E+10 ppm1      7.055 ppm2      6.623
 ASSI {  481}
   (  segid    A and resid 69   and name  HB# )
   (( segid    A and resid 70   and name  HN  ))

      4.000     2.200     0.000 peak   481 weight  1.00000E+00 volume  1.52223E+09 ppm1      7.196 ppm2      2.033
 ASSI {  706}
   (( segid    A and resid 53   and name  HB1 ))
   (( segid    A and resid 53   and name  HN  ))

      4.000     2.200     0.000 peak   706 weight  1.00000E+00 volume  3.43573E+09 ppm1      9.368 ppm2      1.522
 OR {  706}
   (( segid    A and resid 53   and name  HG  ))
   (( segid    A and resid 53   and name  HN  ))
 ASSI {  630}
   (  segid    A and resid 26   and name  HG2#)
   (( segid    A and resid 26   and name  HN  ))

      5.000     3.200     0.000 peak   630 weight  1.00000E+00 volume  1.51597E+09 ppm1      9.527 ppm2      1.013
 ASSI {   93}
   (  segid    A and resid 26   and name  HG2#)
   (( segid    A and resid 56   and name  HD21))

      5.000     3.200     0.000 peak    93 weight  1.00000E+00 volume  8.45540E+08 ppm1      6.753 ppm2      1.017
 ASSI {  636}
   (( segid    A and resid 30   and name  HA2 ))
   (( segid    A and resid 30   and name  HN  ))

      4.000     2.200     0.000 peak   636 weight  1.00000E+00 volume  3.18730E+09 ppm1      8.050 ppm2      4.218
 ASSI {  171}
   (( segid    A and resid 7    and name  HG  ))
   (( segid    A and resid 8    and name  HN  ))

      4.000     2.200     0.000 peak   171 weight  1.00000E+00 volume  1.03260E+09 ppm1      8.530 ppm2      1.438
 ASSI {  329}
   (( segid    A and resid 37   and name  HN  ))
   (( segid    A and resid 41   and name  HN  ))

      5.000     3.200     0.000 peak   329 weight  1.00000E+00 volume  2.48506E+08 ppm1      9.088 ppm2      7.355
 ASSI {   78}
   (( segid    A and resid 34   and name  HN  ))
   (( segid    A and resid 33   and name  HN  ))

      4.000     2.200     0.000 peak    78 weight  1.00000E+00 volume  3.39510E+09 ppm1      7.583 ppm2      9.127
 ASSI {  357}
   (( segid    A and resid 7    and name  HG  ))
   (( segid    A and resid 45   and name  HN  ))

      5.000     3.200     0.000 peak   357 weight  1.00000E+00 volume  4.97103E+08 ppm1      8.332 ppm2      1.399
 ASSI {  395}
   (( segid    A and resid 53   and name  HB2 ))
   (( segid    A and resid 65   and name  HN  ))

      5.000     3.200     0.000 peak   395 weight  1.00000E+00 volume  2.82426E+08 ppm1      8.776 ppm2      1.262
 ASSI {  768}
   (( segid    A and resid 23   and name  HA  ))
   (( segid    A and resid 24   and name  HN  ))

      2.800     1.000     0.000 peak   768 weight  1.00000E+00 volume  3.84760E+07 ppm1      8.782 ppm2      4.697
 ASSI {  739}
   (( segid    A and resid 62   and name  HB1 ))
   (( segid    A and resid 61   and name  HN  ))

      5.000     3.200     0.000 peak   739 weight  1.00000E+00 volume  4.69704E+08 ppm1      8.024 ppm2      1.160
 ASSI {  632}
   (( segid    A and resid 28   and name  HA  ))
   (( segid    A and resid 28   and name  HN  ))

      4.000     2.200     0.000 peak   632 weight  1.00000E+00 volume  9.98745E+08 ppm1      9.613 ppm2      4.185
 ASSI {  121}
   (( segid    A and resid 43   and name  HA  ))
   (( segid    A and resid 43   and name  HN  ))

      2.800     1.000     0.000 peak   121 weight  1.00000E+00 volume  9.93037E+09 ppm1      8.318 ppm2      4.953
 ASSI {  206}
   (( segid    A and resid 13   and name  HB2 ))
   (( segid    A and resid 15   and name  HN  ))

      4.000     2.200     0.000 peak   206 weight  1.00000E+00 volume  3.11782E+09 ppm1      7.835 ppm2      1.882
 ASSI {  359}
   (  segid    A and resid 7    and name  HD2#)
   (( segid    A and resid 45   and name  HN  ))

      5.000     3.200     0.000 peak   359 weight  1.00000E+00 volume  1.45773E+09 ppm1      8.336 ppm2      0.766
 ASSI {  452}
   (( segid    A and resid 62   and name  HG1 ))
   (( segid    A and resid 62   and name  HE21))

      5.000     3.200     0.000 peak   452 weight  1.00000E+00 volume  5.04443E+08 ppm1      6.617 ppm2      0.213
 ASSI {  490}
   (( segid    A and resid 4    and name  HA1 ))
   (( segid    A and resid 74   and name  HN  ))

      5.000     3.200     0.000 peak   490 weight  1.00000E+00 volume  5.24976E+08 ppm1      8.785 ppm2      3.906
 ASSI {  436}
   (( segid    A and resid 61   and name  HA  ))
   (( segid    A and resid 62   and name  HN  ))

      4.000     2.200     0.000 peak   436 weight  1.00000E+00 volume  2.92889E+09 ppm1      8.505 ppm2      3.871
 ASSI {  596}
   (  segid    A and resid 13   and name  HD2#)
   (( segid    A and resid 13   and name  HN  ))

      5.000     3.200     0.000 peak   596 weight  1.00000E+00 volume  1.64333E+09 ppm1      8.859 ppm2      0.877
 ASSI {  286}
   (( segid    A and resid 30   and name  HA1 ))
   (( segid    A and resid 31   and name  HN  ))

      5.000     3.200     0.000 peak   286 weight  1.00000E+00 volume  5.93490E+08 ppm1      7.426 ppm2      3.625
 ASSI {  763}
   (( segid    A and resid 41   and name  HB1 ))
   (( segid    A and resid 41   and name  HN  ))

      2.800     1.000     0.000 peak   763 weight  1.00000E+00 volume  6.68309E+09 ppm1      7.368 ppm2      1.607
 ASSI {  419}
   (( segid    A and resid 56   and name  HA  ))
   (( segid    A and resid 62   and name  HN  ))

      4.000     2.200     0.000 peak   419 weight  1.00000E+00 volume  9.13309E+08 ppm1      8.508 ppm2      5.498
 ASSI {  207}
   (  segid    A and resid 14   and name  HB# )
   (( segid    A and resid 15   and name  HN  ))

      5.000     3.200     0.000 peak   207 weight  1.00000E+00 volume  2.34743E+09 ppm1      7.838 ppm2      1.509
 ASSI {  541}
   (  segid    A and resid 52   and name  HG2#)
   (( segid    A and resid 51   and name  HN  ))

      6.000     4.200     0.000 peak   541 weight  1.00000E+00 volume  2.48945E+08 ppm1      7.696 ppm2      1.171
 ASSI {   54}
   (( segid    A and resid 56   and name  HD22))
   (( segid    A and resid 56   and name  HD21))

      2.800     1.000     0.000 peak    54 weight  1.00000E+00 volume  7.42545E+09 ppm1      6.355 ppm2      6.754
 ASSI {  821}
   (( segid    A and resid 44   and name  HB1 ))
   (( segid    A and resid 44   and name  HN  ))

      5.000     3.200     0.000 peak   821 weight  1.00000E+00 volume  6.55308E+06 ppm1      8.872 ppm2      0.922
 ASSI {  736}
   (( segid    A and resid 64   and name  HG1 ))
   (( segid    A and resid 64   and name  HN  ))

      5.000     3.200     0.000 peak   736 weight  1.00000E+00 volume  4.48333E+08 ppm1      8.912 ppm2      2.289
 ASSI {  823}
   (( segid    A and resid 44   and name  HA  ))
   (( segid    A and resid 44   and name  HN  ))

      4.000     2.200     0.000 peak   823 weight  1.00000E+00 volume  3.46456E+07 ppm1      8.877 ppm2      5.020
 ASSI {  232}
   (( segid    A and resid 17   and name  HA  ))
   (( segid    A and resid 18   and name  HN  ))

      4.000     2.200     0.000 peak   232 weight  1.00000E+00 volume  2.75502E+07 ppm1      8.225 ppm2      4.417
 ASSI {  655}
   (  segid    A and resid 35   and name  HB# )
   (( segid    A and resid 35   and name  HN  ))

      4.000     2.200     0.000 peak   655 weight  1.00000E+00 volume  3.08550E+09 ppm1      8.433 ppm2      1.816
 ASSI {  159}
   (( segid    A and resid 4    and name  HA1 ))
   (( segid    A and resid 5    and name  HN  ))

      5.000     3.200     0.000 peak   159 weight  1.00000E+00 volume  2.94353E+08 ppm1      8.770 ppm2      3.923
 ASSI {  275}
   (( segid    A and resid 26   and name  HN  ))
   (( segid    A and resid 54   and name  HN  ))

      5.000     3.200     0.000 peak   275 weight  1.00000E+00 volume  6.59304E+08 ppm1      9.525 ppm2      8.943
 ASSI {  688}
   (( segid    A and resid 60   and name  HB2 ))
   (( segid    A and resid 60   and name  HN  ))

      4.000     2.200     0.000 peak   688 weight  1.00000E+00 volume  2.66206E+09 ppm1      7.372 ppm2      1.613
 ASSI {  744}
   (( segid    A and resid 76   and name  HN  ))
   (  segid    A and resid 76   and name  HG# )

      4.000     2.200     0.000 peak   744 weight  1.00000E+00 volume  3.26930E+09 ppm1      8.287 ppm2      2.031
 ASSI {  775}
   (( segid    A and resid 61   and name  HA  ))
   (( segid    A and resid 57   and name  HN  ))

      5.000     3.200     0.000 peak   775 weight  1.00000E+00 volume  7.53488E+06 ppm1      8.245 ppm2      3.900
 ASSI {  841}
   (( segid    A and resid 57   and name  HE1 ))
   (( segid    A and resid 62   and name  HE21))

      5.000     3.200     0.000 peak   841 weight  1.00000E+00 volume  3.92034E+06 ppm1     10.194 ppm2      6.621
 ASSI {  376}
   (( segid    A and resid 51   and name  HN  ))
   (( segid    A and resid 67   and name  HA  ))

      4.000     2.200     0.000 peak   376 weight  1.00000E+00 volume  1.27862E+09 ppm1      7.693 ppm2      3.884
 ASSI {  785}
   (  segid    A and resid 84   and name  HG# )
   (( segid    A and resid 84   and name  HN  ))

      5.000     3.200     0.000 peak   785 weight  1.00000E+00 volume  7.30050E+06 ppm1      8.448 ppm2      2.216
 ASSI {  375}
   (( segid    A and resid 50   and name  HA2 ))
   (( segid    A and resid 51   and name  HN  ))

      5.000     3.200     0.000 peak   375 weight  1.00000E+00 volume  6.48600E+08 ppm1      7.694 ppm2      4.304
 ASSI {  601}
   (( segid    A and resid 36   and name  HA  ))
   (( segid    A and resid 36   and name  HN  ))

      5.000     3.200     0.000 peak   601 weight  1.00000E+00 volume  1.02692E+09 ppm1      8.795 ppm2      3.838
 ASSI {  284}
   (( segid    A and resid 27   and name  HB1 ))
   (( segid    A and resid 27   and name  HN  ))

      4.000     2.200     0.000 peak   284 weight  1.00000E+00 volume  2.38828E+09 ppm1      9.028 ppm2      3.942
 ASSI {  178}
   (( segid    A and resid 10   and name  HB  ))
   (( segid    A and resid 79   and name  HN  ))

      4.000     2.200     0.000 peak   178 weight  1.00000E+00 volume  2.26798E+09 ppm1      8.948 ppm2      1.660
 ASSI {  570}
   (  segid    A and resid 7    and name  HD2#)
   (( segid    A and resid 7    and name  HN  ))

      6.000     4.200     0.000 peak   570 weight  1.00000E+00 volume  1.06449E+09 ppm1      8.526 ppm2      0.751
 ASSI {  603}
   (( segid    A and resid 15   and name  HB2 ))
   (( segid    A and resid 15   and name  HN  ))

      4.000     2.200     0.000 peak   603 weight  1.00000E+00 volume  1.72087E+09 ppm1      7.839 ppm2      2.595
 ASSI {  746}
   (( segid    A and resid 8    and name  HB2 ))
   (( segid    A and resid 77   and name  HN  ))

      5.000     3.200     0.000 peak   746 weight  1.00000E+00 volume  2.49864E+08 ppm1      8.399 ppm2      2.740
 ASSI {  549}
   (( segid    A and resid 56   and name  HB1 ))
   (( segid    A and resid 57   and name  HN  ))

      5.000     3.200     0.000 peak   549 weight  1.00000E+00 volume  3.05837E+08 ppm1      8.246 ppm2      2.703
 ASSI {  820}
   (  segid    A and resid 25   and name  HG2#)
   (( segid    A and resid 44   and name  HN  ))

      6.000     4.200     0.000 peak   820 weight  1.00000E+00 volume  4.61050E+06 ppm1      8.871 ppm2      0.756
 ASSI {  315}
   (  segid    A and resid 44   and name  HD2#)
   (( segid    A and resid 35   and name  HN  ))

      6.000     4.200     0.000 peak   315 weight  1.00000E+00 volume  8.66529E+08 ppm1      8.431 ppm2      0.487
 ASSI {  430}
   (( segid    A and resid 59   and name  HA2 ))
   (( segid    A and resid 60   and name  HN  ))

      5.000     3.200     0.000 peak   430 weight  1.00000E+00 volume  5.48359E+08 ppm1      7.369 ppm2      4.009
 ASSI {  792}
   (( segid    A and resid 76   and name  HG2 ))
   (( segid    A and resid 76   and name  HE22))

      4.000     2.200     0.000 peak   792 weight  1.00000E+00 volume  1.12998E+07 ppm1      6.604 ppm2      2.022
 ASSI {  711}
   (  segid    A and resid 69   and name  HG# )
   (( segid    A and resid 69   and name  HN  ))

      5.000     3.200     0.000 peak   711 weight  1.00000E+00 volume  8.50593E+08 ppm1      8.984 ppm2      2.249
 ASSI {  805}
   (( segid    A and resid 75   and name  HE21))
   (  segid    A and resid 75   and name  HG# )

      4.000     2.200     0.000 peak   805 weight  1.00000E+00 volume  1.21663E+07 ppm1      6.731 ppm2      2.357
 ASSI {  184}
   (( segid    A and resid 10   and name  HA  ))
   (( segid    A and resid 11   and name  HN  ))

      4.000     2.200     0.000 peak   184 weight  1.00000E+00 volume  3.11677E+07 ppm1      8.761 ppm2      4.280
 ASSI {  719}
   (( segid    A and resid 62   and name  HG1 ))
   (( segid    A and resid 62   and name  HN  ))

      5.000     3.200     0.000 peak   719 weight  1.00000E+00 volume  2.77772E+08 ppm1      8.505 ppm2      0.205
 ASSI {  604}
   (( segid    A and resid 15   and name  HA  ))
   (( segid    A and resid 15   and name  HN  ))

      4.000     2.200     0.000 peak   604 weight  1.00000E+00 volume  2.41251E+09 ppm1      7.837 ppm2      4.576
 ASSI {  811}
   (( segid    A and resid 66   and name  HA  ))
   (( segid    A and resid 66   and name  HN  ))

      4.000     2.200     0.000 peak   811 weight  1.00000E+00 volume  1.24734E+07 ppm1      9.034 ppm2      5.103
 ASSI {  808}
   (( segid    A and resid 71   and name  HA  ))
   (( segid    A and resid 71   and name  HN  ))

      4.000     2.200     0.000 peak   808 weight  1.00000E+00 volume  1.52456E+07 ppm1      7.444 ppm2      4.261
 ASSI {  681}
   (( segid    A and resid 51   and name  HG1 ))
   (( segid    A and resid 51   and name  HN  ))

      4.000     2.200     0.000 peak   681 weight  1.00000E+00 volume  2.33039E+09 ppm1      7.693 ppm2      2.562
 ASSI {  804}
   (( segid    A and resid 75   and name  HE22))
   (  segid    A and resid 75   and name  HB# )

      5.000     3.200     0.000 peak   804 weight  1.00000E+00 volume  4.43264E+06 ppm1      7.408 ppm2      2.047
 ASSI {  245}
   (( segid    A and resid 21   and name  HA  ))
   (( segid    A and resid 23   and name  HN  ))

      5.000     3.200     0.000 peak   245 weight  1.00000E+00 volume  6.15462E+08 ppm1      7.693 ppm2      3.905
 ASSI {  455}
   (  segid    A and resid 55   and name  HG1#)
   (( segid    A and resid 63   and name  HN  ))

      6.000     4.200     0.000 peak   455 weight  1.00000E+00 volume  8.94933E+08 ppm1      7.827 ppm2      0.855
 ASSI {  780}
   (( segid    A and resid 76   and name  HG2 ))
   (( segid    A and resid 76   and name  HE21))

      5.000     3.200     0.000 peak   780 weight  1.00000E+00 volume  7.52711E+06 ppm1      6.739 ppm2      2.024
 ASSI {  788}
   (  segid    A and resid 84   and name  HG# )
   (( segid    A and resid 84   and name  HE22))

      5.000     3.200     0.000 peak   788 weight  1.00000E+00 volume  6.78836E+06 ppm1      7.222 ppm2      2.222
 ASSI {  567}
   (( segid    A and resid 4    and name  HA1 ))
   (( segid    A and resid 6    and name  HN  ))

      5.000     3.200     0.000 peak   567 weight  1.00000E+00 volume  2.12013E+08 ppm1      8.172 ppm2      3.895
 ASSI {  222}
   (( segid    A and resid 13   and name  HB2 ))
   (( segid    A and resid 16   and name  HN  ))

      5.000     3.200     0.000 peak   222 weight  1.00000E+00 volume  8.44229E+08 ppm1      8.216 ppm2      1.848
 ASSI {  353}
   (( segid    A and resid 42   and name  HN  ))
   (( segid    A and resid 10   and name  HN  ))

      5.000     3.200     0.000 peak   353 weight  1.00000E+00 volume  6.05489E+08 ppm1      9.314 ppm2      8.657
 ASSI {  183}
   (  segid    A and resid 10   and name  HG2#)
   (( segid    A and resid 79   and name  HN  ))

      5.000     3.200     0.000 peak   183 weight  1.00000E+00 volume  3.73448E+09 ppm1      8.950 ppm2      0.758
 ASSI {  174}
   (( segid    A and resid 79   and name  HN  ))
   (( segid    A and resid 10   and name  HN  ))

      5.000     3.200     0.000 peak   174 weight  1.00000E+00 volume  3.86843E+08 ppm1      8.653 ppm2      8.940
 ASSI {  247}
   (( segid    A and resid 22   and name  HA2 ))
   (( segid    A and resid 23   and name  HN  ))

      5.000     3.200     0.000 peak   247 weight  1.00000E+00 volume  5.56862E+08 ppm1      7.692 ppm2      4.315
 ASSI {  389}
   (( segid    A and resid 64   and name  HA  ))
   (( segid    A and resid 65   and name  HN  ))

      4.000     2.200     0.000 peak   389 weight  1.00000E+00 volume  2.94653E+07 ppm1      8.773 ppm2      5.458
 ASSI {  574}
   (( segid    A and resid 8    and name  HA  ))
   (( segid    A and resid 8    and name  HN  ))

      5.000     3.200     0.000 peak   574 weight  1.00000E+00 volume  2.41827E+09 ppm1      8.542 ppm2      4.984
 ASSI {  404}
   (  segid    A and resid 54   and name  HB# )
   (( segid    A and resid 55   and name  HN  ))

      5.000     3.200     0.000 peak   404 weight  1.00000E+00 volume  9.89993E+08 ppm1      8.653 ppm2      3.744
 ASSI {  510}
   (( segid    A and resid 24   and name  HN  ))
   (( segid    A and resid 25   and name  HN  ))

      5.000     3.200     0.000 peak   510 weight  1.00000E+00 volume  1.88206E+08 ppm1      8.773 ppm2      8.313
 ASSI {  629}
   (( segid    A and resid 26   and name  HA  ))
   (( segid    A and resid 26   and name  HN  ))

      5.000     3.200     0.000 peak   629 weight  1.00000E+00 volume  9.14397E+08 ppm1      9.522 ppm2      5.411
 ASSI {  609}
   (( segid    A and resid 17   and name  HB2 ))
   (( segid    A and resid 17   and name  HN  ))

      4.000     2.200     0.000 peak   609 weight  1.00000E+00 volume  1.37759E+09 ppm1      8.025 ppm2      3.873
 ASSI {  595}
   (  segid    A and resid 13   and name  HD1#)
   (( segid    A and resid 13   and name  HN  ))

      6.000     4.200     0.000 peak   595 weight  1.00000E+00 volume  8.92522E+08 ppm1      8.860 ppm2      1.046
 ASSI {  354}
   (( segid    A and resid 40   and name  HA2 ))
   (( segid    A and resid 41   and name  HN  ))

      5.000     3.200     0.000 peak   354 weight  1.00000E+00 volume  4.20172E+06 ppm1      7.362 ppm2      3.949
 ASSI {  203}
   (( segid    A and resid 15   and name  HN  ))
   (( segid    A and resid 14   and name  HN  ))

      5.000     3.200     0.000 peak   203 weight  1.00000E+00 volume  4.25256E+08 ppm1      8.737 ppm2      7.836
 ASSI {  702}
   (( segid    A and resid 52   and name  HB  ))
   (( segid    A and resid 52   and name  HN  ))

      4.000     2.200     0.000 peak   702 weight  1.00000E+00 volume  3.19380E+09 ppm1      8.640 ppm2      3.908
 ASSI {  619}
   (( segid    A and resid 23   and name  HA  ))
   (( segid    A and resid 23   and name  HN  ))

      4.000     2.200     0.000 peak   619 weight  1.00000E+00 volume  1.14797E+09 ppm1      7.693 ppm2      4.698
 ASSI {  200}
   (( segid    A and resid 13   and name  HB2 ))
   (( segid    A and resid 14   and name  HN  ))

      4.000     2.200     0.000 peak   200 weight  1.00000E+00 volume  2.21227E+09 ppm1      8.741 ppm2      1.884
 ASSI {  589}
   (( segid    A and resid 12   and name  HA  ))
   (( segid    A and resid 12   and name  HN  ))

      4.000     2.200     0.000 peak   589 weight  1.00000E+00 volume  1.83940E+09 ppm1      7.582 ppm2      4.876
 ASSI {  218}
   (( segid    A and resid 6    and name  HA  ))
   (( segid    A and resid 46   and name  HN  ))

      5.000     3.200     0.000 peak   218 weight  1.00000E+00 volume  6.95172E+08 ppm1      8.044 ppm2      5.090
 ASSI {  540}
   (( segid    A and resid 45   and name  HN  ))
   (( segid    A and resid 44   and name  HN  ))

      5.000     3.200     0.000 peak   540 weight  1.00000E+00 volume  2.05516E+08 ppm1      8.346 ppm2      8.874
 ASSI {  644}
   (( segid    A and resid 32   and name  HA  ))
   (( segid    A and resid 32   and name  HN  ))

      2.800     1.000     0.000 peak   644 weight  1.00000E+00 volume  5.43650E+09 ppm1      8.920 ppm2      4.369
 ASSI {  699}
   (( segid    A and resid 56   and name  HB2 ))
   (( segid    A and resid 56   and name  HN  ))

      5.000     3.200     0.000 peak   699 weight  1.00000E+00 volume  1.06333E+09 ppm1      9.282 ppm2      2.409
 ASSI {  602}
   (( segid    A and resid 15   and name  HB1 ))
   (( segid    A and resid 15   and name  HN  ))

      4.000     2.200     0.000 peak   602 weight  1.00000E+00 volume  1.13440E+09 ppm1      7.839 ppm2      3.092
 ASSI {  683}
   (( segid    A and resid 51   and name  HA  ))
   (( segid    A and resid 51   and name  HN  ))

      4.000     2.200     0.000 peak   683 weight  1.00000E+00 volume  1.62885E+09 ppm1      7.692 ppm2      4.521
 ASSI {  700}
   (( segid    A and resid 56   and name  HA  ))
   (( segid    A and resid 56   and name  HN  ))

      5.000     3.200     0.000 peak   700 weight  1.00000E+00 volume  2.05995E+09 ppm1      9.283 ppm2      5.508
 ASSI {  191}
   (( segid    A and resid 11   and name  HA  ))
   (( segid    A and resid 12   and name  HN  ))

      4.000     2.200     0.000 peak   191 weight  1.00000E+00 volume  3.54000E+07 ppm1      7.583 ppm2      5.163
 ASSI {  606}
   (( segid    A and resid 16   and name  HA1 ))
   (( segid    A and resid 16   and name  HN  ))

      4.000     2.200     0.000 peak   606 weight  1.00000E+00 volume  3.77121E+09 ppm1      8.211 ppm2      3.569
 ASSI {  545}
   (( segid    A and resid 54   and name  HN  ))
   (( segid    A and resid 55   and name  HN  ))

      6.000     4.200     0.000 peak   545 weight  1.00000E+00 volume  1.10492E+08 ppm1      8.662 ppm2      8.926
 ASSI {  393}
   (( segid    A and resid 53   and name  HB1 ))
   (( segid    A and resid 65   and name  HN  ))

      5.000     3.200     0.000 peak   393 weight  1.00000E+00 volume  9.53599E+08 ppm1      8.778 ppm2      1.523
 ASSI {  667}
   (( segid    A and resid 40   and name  HA2 ))
   (( segid    A and resid 40   and name  HN  ))

      4.000     2.200     0.000 peak   667 weight  1.00000E+00 volume  2.23007E+09 ppm1      8.852 ppm2      3.959
 ASSI {  694}
   (( segid    A and resid 75   and name  HN  ))
   (  segid    A and resid 75   and name  HG# )

      4.000     2.200     0.000 peak   694 weight  1.00000E+00 volume  1.02379E+09 ppm1      7.761 ppm2      2.353
 ASSI {  289}
   (  segid    A and resid 33   and name  HD1#)
   (( segid    A and resid 27   and name  HN  ))

      5.000     3.200     0.000 peak   289 weight  1.00000E+00 volume  1.92106E+09 ppm1      9.026 ppm2      0.768
 ASSI {  227}
   (( segid    A and resid 16   and name  HA1 ))
   (( segid    A and resid 17   and name  HN  ))

      5.000     3.200     0.000 peak   227 weight  1.00000E+00 volume  7.33622E+08 ppm1      8.022 ppm2      3.570
 ASSI {  660}
   (  segid    A and resid 36   and name  HG2#)
   (( segid    A and resid 36   and name  HN  ))

      4.000     2.200     0.000 peak   660 weight  1.00000E+00 volume  3.84928E+09 ppm1      8.796 ppm2      0.605
 ASSI {  233}
   (( segid    A and resid 17   and name  HB1 ))
   (( segid    A and resid 18   and name  HN  ))

      4.000     2.200     0.000 peak   233 weight  1.00000E+00 volume  2.44114E+09 ppm1      8.223 ppm2      4.043
 ASSI {  256}
   (( segid    A and resid 53   and name  HN  ))
   (( segid    A and resid 65   and name  HN  ))

      4.000     2.200     0.000 peak   256 weight  1.00000E+00 volume  1.19247E+09 ppm1      9.363 ppm2      8.761
 ASSI {  685}
   (( segid    A and resid 61   and name  HA  ))
   (( segid    A and resid 63   and name  HN  ))

      5.000     3.200     0.000 peak   685 weight  1.00000E+00 volume  4.59240E+08 ppm1      7.826 ppm2      3.869
 ASSI {  648}
   (( segid    A and resid 33   and name  HB1 ))
   (( segid    A and resid 33   and name  HN  ))

      5.000     3.200     0.000 peak   648 weight  1.00000E+00 volume  1.08151E+09 ppm1      9.124 ppm2      1.387
 ASSI {  387}
   (( segid    A and resid 52   and name  HA  ))
   (( segid    A and resid 53   and name  HN  ))

      2.800     1.000     0.000 peak   387 weight  1.00000E+00 volume  6.34247E+09 ppm1      9.366 ppm2      5.061
 ASSI {  220}
   (  segid    A and resid 6    and name  HB# )
   (( segid    A and resid 46   and name  HN  ))

      5.000     3.200     0.000 peak   220 weight  1.00000E+00 volume  5.04594E+08 ppm1      8.032 ppm2      1.757
 ASSI {  614}
   (( segid    A and resid 37   and name  HA  ))
   (( segid    A and resid 22   and name  HN  ))

      5.000     3.200     0.000 peak   614 weight  1.00000E+00 volume  1.79328E+09 ppm1      8.941 ppm2      4.184
 ASSI {  853}
   (( segid    A and resid 39   and name  HB2 ))
   (( segid    A and resid 39   and name  HN  ))

      5.000     3.200     0.000 peak   853 weight  1.00000E+00 volume  7.51906E+06 ppm1      8.831 ppm2      2.085
 ASSI {  249}
   (( segid    A and resid 24   and name  HN  ))
   (( segid    A and resid 23   and name  HN  ))

      4.000     2.200     0.000 peak   249 weight  1.00000E+00 volume  8.31297E+08 ppm1      7.693 ppm2      8.790
 ASSI {  287}
   (( segid    A and resid 27   and name  HB1 ))
   (( segid    A and resid 31   and name  HN  ))

      5.000     3.200     0.000 peak   287 weight  1.00000E+00 volume  2.13474E+08 ppm1      7.427 ppm2      3.950
 ASSI {  327}
   (( segid    A and resid 36   and name  HA  ))
   (( segid    A and resid 37   and name  HN  ))

      4.000     2.200     0.000 peak   327 weight  1.00000E+00 volume  5.30361E+09 ppm1      9.077 ppm2      3.830
 ASSI {  581}
   (( segid    A and resid 10   and name  HB  ))
   (( segid    A and resid 10   and name  HN  ))

      4.000     2.200     0.000 peak   581 weight  1.00000E+00 volume  2.57028E+09 ppm1      8.653 ppm2      1.665
 ASSI {  616}
   (  segid    A and resid 23   and name  HB# )
   (( segid    A and resid 22   and name  HN  ))

      6.000     4.200     0.000 peak   616 weight  1.00000E+00 volume  4.93386E+08 ppm1      8.938 ppm2      1.351
 ASSI {  167}
   (( segid    A and resid 7    and name  HN  ))
   (( segid    A and resid 44   and name  HN  ))

      5.000     3.200     0.000 peak   167 weight  1.00000E+00 volume  5.79530E+08 ppm1      8.527 ppm2      8.868
 ASSI {  518}
   (( segid    A and resid 16   and name  HN  ))
   (( segid    A and resid 13   and name  HN  ))

      6.000     4.200     0.000 peak   518 weight  1.00000E+00 volume  2.50695E+08 ppm1      8.200 ppm2      8.862
 ASSI {  709}
   (( segid    A and resid 46   and name  HA2 ))
   (( segid    A and resid 46   and name  HN  ))

      4.000     2.200     0.000 peak   709 weight  1.00000E+00 volume  2.53569E+09 ppm1      8.042 ppm2      3.686
 ASSI {  454}
   (( segid    A and resid 62   and name  HB1 ))
   (( segid    A and resid 63   and name  HN  ))

      5.000     3.200     0.000 peak   454 weight  1.00000E+00 volume  1.37715E+09 ppm1      7.821 ppm2      1.146
 ASSI {  260}
   (  segid    A and resid 23   and name  HB# )
   (( segid    A and resid 56   and name  HN  ))

      6.000     4.200     0.000 peak   260 weight  1.00000E+00 volume  2.03286E+08 ppm1      9.285 ppm2      1.360
 ASSI {  642}
   (( segid    A and resid 31   and name  HB2 ))
   (( segid    A and resid 31   and name  HN  ))

      4.000     2.200     0.000 peak   642 weight  1.00000E+00 volume  2.65212E+09 ppm1      7.427 ppm2      1.761
 ASSI {  687}
   (( segid    A and resid 56   and name  HA  ))
   (( segid    A and resid 63   and name  HN  ))

      5.000     3.200     0.000 peak   687 weight  1.00000E+00 volume  2.17362E+08 ppm1      7.825 ppm2      5.478
 ASSI {  850}
   (( segid    A and resid 47   and name  HA  ))
   (( segid    A and resid 47   and name  HN  ))

      5.000     3.200     0.000 peak   850 weight  1.00000E+00 volume  7.85157E+06 ppm1      8.184 ppm2      3.952
 ASSI {  365}
   (  segid    A and resid 7    and name  HD2#)
   (( segid    A and resid 46   and name  HN  ))

      6.000     4.200     0.000 peak   365 weight  1.00000E+00 volume  4.19063E+08 ppm1      8.039 ppm2      0.735
 ASSI {  615}
   (( segid    A and resid 22   and name  HA1 ))
   (( segid    A and resid 22   and name  HN  ))

      4.000     2.200     0.000 peak   615 weight  1.00000E+00 volume  2.23241E+09 ppm1      8.939 ppm2      3.478
 ASSI {  620}
   (( segid    A and resid 24   and name  HA  ))
   (( segid    A and resid 24   and name  HN  ))

      4.000     2.200     0.000 peak   620 weight  1.00000E+00 volume  9.77298E+08 ppm1      8.793 ppm2      4.926
 ASSI {  572}
   (( segid    A and resid 7    and name  HG  ))
   (( segid    A and resid 7    and name  HN  ))

      4.000     2.200     0.000 peak   572 weight  1.00000E+00 volume  1.98181E+09 ppm1      8.527 ppm2      1.449
 ASSI {  764}
   (  segid    A and resid 41   and name  HD2#)
   (( segid    A and resid 41   and name  HN  ))

      5.000     3.200     0.000 peak   764 weight  1.00000E+00 volume  2.60135E+09 ppm1      7.364 ppm2      0.741
 ASSI {  427}
   (( segid    A and resid 57   and name  HA  ))
   (( segid    A and resid 59   and name  HN  ))

      5.000     3.200     0.000 peak   427 weight  1.00000E+00 volume  4.44056E+08 ppm1      8.459 ppm2      4.942
 ASSI {  261}
   (  segid    A and resid 23   and name  HB# )
   (( segid    A and resid 24   and name  HN  ))

      5.000     3.200     0.000 peak   261 weight  1.00000E+00 volume  2.17617E+09 ppm1      8.786 ppm2      1.352
 ASSI {  682}
   (( segid    A and resid 51   and name  HG2 ))
   (( segid    A and resid 51   and name  HN  ))

      4.000     2.200     0.000 peak   682 weight  1.00000E+00 volume  2.04864E+09 ppm1      7.693 ppm2      2.445
 ASSI {   97}
   (( segid    A and resid 60   and name  HN  ))
   (( segid    A and resid 57   and name  HN  ))

      4.000     2.200     0.000 peak    97 weight  1.00000E+00 volume  8.10437E+08 ppm1      8.244 ppm2      7.363
 ASSI {  722}
   (( segid    A and resid 61   and name  HB  ))
   (( segid    A and resid 62   and name  HN  ))

      5.000     3.200     0.000 peak   722 weight  1.00000E+00 volume  3.75290E+08 ppm1      8.505 ppm2      1.609
 ASSI {  401}
   (  segid    A and resid 61   and name  HG2#)
   (( segid    A and resid 55   and name  HN  ))

      5.000     3.200     0.000 peak   401 weight  1.00000E+00 volume  2.88898E+09 ppm1      8.658 ppm2      0.711
 ASSI {  635}
   (( segid    A and resid 30   and name  HA1 ))
   (( segid    A and resid 30   and name  HN  ))

      4.000     2.200     0.000 peak   635 weight  1.00000E+00 volume  3.70100E+09 ppm1      8.050 ppm2      3.614
 ASSI {  657}
   (( segid    A and resid 35   and name  HA  ))
   (( segid    A and resid 35   and name  HN  ))

      5.000     3.200     0.000 peak   657 weight  1.00000E+00 volume  1.46478E+09 ppm1      8.433 ppm2      5.271
 ASSI {  360}
   (  segid    A and resid 44   and name  HD1#)
   (( segid    A and resid 45   and name  HN  ))

      5.000     3.200     0.000 peak   360 weight  1.00000E+00 volume  1.59886E+09 ppm1      8.343 ppm2      0.495
 ASSI {  653}
   (( segid    A and resid 34   and name  HA2 ))
   (( segid    A and resid 34   and name  HN  ))

      4.000     2.200     0.000 peak   653 weight  1.00000E+00 volume  2.30974E+09 ppm1      7.584 ppm2      4.436
 ASSI {  271}
   (( segid    A and resid 25   and name  HA  ))
   (( segid    A and resid 26   and name  HN  ))

      2.800     1.000     0.000 peak   271 weight  1.00000E+00 volume  5.32152E+09 ppm1      9.524 ppm2      5.099
 ASSI {  521}
   (( segid    A and resid 18   and name  HN  ))
   (( segid    A and resid 17   and name  HN  ))

      5.000     3.200     0.000 peak   521 weight  1.00000E+00 volume  4.57730E+08 ppm1      8.223 ppm2      8.038
 ASSI {  421}
   (( segid    A and resid 62   and name  HG2 ))
   (( segid    A and resid 62   and name  HN  ))

      5.000     3.200     0.000 peak   421 weight  1.00000E+00 volume  5.89118E+08 ppm1      8.507 ppm2      1.775
 ASSI {  172}
   (  segid    A and resid 7    and name  HD2#)
   (( segid    A and resid 8    and name  HN  ))

      5.000     3.200     0.000 peak   172 weight  1.00000E+00 volume  1.12885E+09 ppm1      8.536 ppm2      0.755
 ASSI {   86}
   (  segid    A and resid 26   and name  HG2#)
   (( segid    A and resid 56   and name  HD22))

      6.000     4.200     0.000 peak    86 weight  1.00000E+00 volume  7.57532E+08 ppm1      6.361 ppm2      1.010
 ASSI {  494}
   (( segid    A and resid 75   and name  HN  ))
   (( segid    A and resid 76   and name  HN  ))

      5.000     3.200     0.000 peak   494 weight  1.00000E+00 volume  6.10680E+08 ppm1      7.751 ppm2      8.284
 ASSI {  693}
   (( segid    A and resid 75   and name  HN  ))
   (( segid    A and resid 75   and name  HA  ))

      4.000     2.200     0.000 peak   693 weight  1.00000E+00 volume  2.81848E+09 ppm1      7.760 ppm2      4.409
 ASSI {  478}
   (( segid    A and resid 69   and name  HA  ))
   (( segid    A and resid 70   and name  HN  ))

      5.000     3.200     0.000 peak   478 weight  1.00000E+00 volume  6.45916E+08 ppm1      7.193 ppm2      3.864
 ASSI {  586}
   (( segid    A and resid 11   and name  HB1 ))
   (( segid    A and resid 11   and name  HN  ))

      4.000     2.200     0.000 peak   586 weight  1.00000E+00 volume  4.46841E+09 ppm1      8.762 ppm2      1.722
 ASSI {  439}
   (( segid    A and resid 58   and name  HB2 ))
   (( segid    A and resid 62   and name  HE21))

      5.000     3.200     0.000 peak   439 weight  1.00000E+00 volume  3.86092E+08 ppm1      6.619 ppm2      3.003
 ASSI {  442}
   (( segid    A and resid 62   and name  HG2 ))
   (( segid    A and resid 62   and name  HE21))

      4.000     2.200     0.000 peak   442 weight  1.00000E+00 volume  8.65386E+08 ppm1      6.620 ppm2      1.779
 ASSI {  762}
   (( segid    A and resid 41   and name  HA  ))
   (( segid    A and resid 41   and name  HN  ))

      4.000     2.200     0.000 peak   762 weight  1.00000E+00 volume  9.64681E+08 ppm1      7.367 ppm2      4.653
 ASSI {  806}
   (( segid    A and resid 75   and name  HE21))
   (  segid    A and resid 75   and name  HB# )

      5.000     3.200     0.000 peak   806 weight  1.00000E+00 volume  4.33689E+06 ppm1      6.736 ppm2      2.063
 ASSI {  568}
   (  segid    A and resid 6    and name  HB# )
   (( segid    A and resid 6    and name  HN  ))

      4.000     2.200     0.000 peak   568 weight  1.00000E+00 volume  4.59978E+09 ppm1      8.168 ppm2      1.714
 ASSI {  831}
   (( segid    A and resid 6    and name  HG1 ))
   (( segid    A and resid 6    and name  HN  ))

      5.000     3.200     0.000 peak   831 weight  1.00000E+00 volume  7.40961E+06 ppm1      8.168 ppm2      1.518
 ASSI {  531}
   (( segid    A and resid 31   and name  HN  ))
   (( segid    A and resid 32   and name  HN  ))

      5.000     3.200     0.000 peak   531 weight  1.00000E+00 volume  1.04832E+08 ppm1      8.916 ppm2      7.436
 ASSI {  678}
   (( segid    A and resid 78   and name  HB1 ))
   (( segid    A and resid 78   and name  HN  ))

      4.000     2.200     0.000 peak   678 weight  1.00000E+00 volume  4.60741E+09 ppm1      8.265 ppm2      1.449
 ASSI {  407}
   (( segid    A and resid 56   and name  HA  ))
   (( segid    A and resid 55   and name  HN  ))

      5.000     3.200     0.000 peak   407 weight  1.00000E+00 volume  5.03708E+08 ppm1      8.646 ppm2      5.474
 ASSI {  791}
   (( segid    A and resid 58   and name  HB1 ))
   (( segid    A and resid 58   and name  HN  ))

      5.000     3.200     0.000 peak   791 weight  1.00000E+00 volume  4.12101E+06 ppm1      9.452 ppm2      2.546
 ASSI {  776}
   (( segid    A and resid 58   and name  HA  ))
   (( segid    A and resid 58   and name  HN  ))

      4.000     2.200     0.000 peak   776 weight  1.00000E+00 volume  2.06694E+07 ppm1      9.453 ppm2      4.411
 ASSI {  594}
   (( segid    A and resid 13   and name  HG  ))
   (( segid    A and resid 13   and name  HN  ))

      4.000     2.200     0.000 peak   594 weight  1.00000E+00 volume  6.44740E+09 ppm1      8.859 ppm2      1.670
 ASSI {  807}
   (  segid    A and resid 71   and name  HB# )
   (( segid    A and resid 71   and name  HN  ))

      5.000     3.200     0.000 peak   807 weight  1.00000E+00 volume  2.20891E+07 ppm1      7.447 ppm2      1.215
 ASSI {  665}
   (( segid    A and resid 39   and name  HA  ))
   (( segid    A and resid 39   and name  HN  ))

      2.800     1.000     0.000 peak   665 weight  1.00000E+00 volume  4.48997E+09 ppm1      8.829 ppm2      3.842
 ASSI {  701}
   (( segid    A and resid 52   and name  HA  ))
   (( segid    A and resid 52   and name  HN  ))

      4.000     2.200     0.000 peak   701 weight  1.00000E+00 volume  1.02140E+09 ppm1      8.637 ppm2      5.062
 ASSI {  649}
   (  segid    A and resid 33   and name  HD2#)
   (( segid    A and resid 33   and name  HN  ))

      5.000     3.200     0.000 peak   649 weight  1.00000E+00 volume  2.07146E+09 ppm1      9.128 ppm2      1.783
 ASSI {  343}
   (( segid    A and resid 40   and name  HA1 ))
   (( segid    A and resid 41   and name  HN  ))

      5.000     3.200     0.000 peak   343 weight  1.00000E+00 volume  6.35968E+08 ppm1      7.365 ppm2      3.219
 ASSI {  374}
   (( segid    A and resid 51   and name  HN  ))
   (( segid    A and resid 52   and name  HN  ))

      5.000     3.200     0.000 peak   374 weight  1.00000E+00 volume  5.54272E+08 ppm1      7.693 ppm2      8.678
 ASSI {  707}
   (( segid    A and resid 53   and name  HB2 ))
   (( segid    A and resid 53   and name  HN  ))

      5.000     3.200     0.000 peak   707 weight  1.00000E+00 volume  8.75393E+08 ppm1      9.375 ppm2      1.292
 ASSI {  761}
   (( segid    A and resid 12   and name  HA  ))
   (( segid    A and resid 13   and name  HN  ))

      2.800     1.000     0.000 peak   761 weight  1.00000E+00 volume  4.41882E+07 ppm1      8.859 ppm2      4.898
 ASSI {  368}
   (( segid    A and resid 51   and name  HG2 ))
   (( segid    A and resid 50   and name  HN  ))

      5.000     3.200     0.000 peak   368 weight  1.00000E+00 volume  5.60770E+08 ppm1      7.224 ppm2      2.460
 ASSI {  118}
   (  segid    A and resid 42   and name  HB# )
   (( segid    A and resid 43   and name  HN  ))

      5.000     3.200     0.000 peak   118 weight  1.00000E+00 volume  1.78943E+09 ppm1      8.313 ppm2      1.027
 ASSI {  760}
   (( segid    A and resid 13   and name  HA  ))
   (( segid    A and resid 13   and name  HN  ))

      4.000     2.200     0.000 peak   760 weight  1.00000E+00 volume  7.00134E+09 ppm1      8.859 ppm2      5.020
 ASSI {  215}
   (( segid    A and resid 16   and name  HN  ))
   (( segid    A and resid 17   and name  HN  ))

      4.000     2.200     0.000 peak   215 weight  1.00000E+00 volume  3.90860E+09 ppm1      8.209 ppm2      8.018
 ASSI {  671}
   (( segid    A and resid 27   and name  HB1 ))
   (( segid    A and resid 53   and name  HN  ))

      6.000     4.200     0.000 peak   671 weight  1.00000E+00 volume  5.48884E+08 ppm1      9.367 ppm2      3.911
 ASSI {  663}
   (  segid    A and resid 37   and name  HB# )
   (( segid    A and resid 37   and name  HN  ))

      5.000     3.200     0.000 peak   663 weight  1.00000E+00 volume  3.28119E+09 ppm1      9.077 ppm2      1.473
 ASSI {  372}
   (( segid    A and resid 51   and name  HN  ))
   (( segid    A and resid 50   and name  HN  ))

      4.000     2.200     0.000 peak   372 weight  1.00000E+00 volume  9.25356E+08 ppm1      7.224 ppm2      7.688
 ASSI {  773}
   (( segid    A and resid 62   and name  HB1 ))
   (( segid    A and resid 62   and name  HE22))

      5.000     3.200     0.000 peak   773 weight  1.00000E+00 volume  3.79743E+06 ppm1      6.043 ppm2      1.156
 ASSI {  708}
   (( segid    A and resid 46   and name  HA1 ))
   (( segid    A and resid 46   and name  HN  ))

      4.000     2.200     0.000 peak   708 weight  1.00000E+00 volume  1.84381E+09 ppm1      8.040 ppm2      3.980
 ASSI {  643}
   (( segid    A and resid 31   and name  HN  ))
   (( segid    A and resid 31   and name  HG1 ))

      5.000     3.200     0.000 peak   643 weight  1.00000E+00 volume  1.37325E+09 ppm1      7.428 ppm2      1.485
 ASSI {  334}
   (( segid    A and resid 38   and name  HA  ))
   (( segid    A and resid 39   and name  HN  ))

      2.800     1.000     0.000 peak   334 weight  1.00000E+00 volume  3.99458E+07 ppm1      8.830 ppm2      4.769
 ASSI {  854}
   (( segid    A and resid 21   and name  HB1 ))
   (( segid    A and resid 21   and name  HN  ))

      2.800     1.000     0.000 peak   854 weight  1.00000E+00 volume  6.51986E+07 ppm1      7.985 ppm2      2.894
 ASSI {   99}
   (( segid    A and resid 62   and name  HG2 ))
   (( segid    A and resid 57   and name  HN  ))

      4.000     2.200     0.000 peak    99 weight  1.00000E+00 volume  2.09345E+09 ppm1      8.242 ppm2      1.783
 ASSI {  113}
   (( segid    A and resid 41   and name  HB1 ))
   (( segid    A and resid 43   and name  HE1 ))

      5.000     3.200     0.000 peak   113 weight  1.00000E+00 volume  6.53828E+08 ppm1      9.727 ppm2      1.593
 ASSI {  356}
   (  segid    A and resid 6    and name  HB# )
   (( segid    A and resid 45   and name  HN  ))

      4.000     2.200     0.000 peak   356 weight  1.00000E+00 volume  1.96519E+09 ppm1      8.338 ppm2      1.752
 ASSI {  846}
   (( segid    A and resid 33   and name  HA  ))
   (( segid    A and resid 45   and name  HN  ))

      4.000     2.200     0.000 peak   846 weight  1.00000E+00 volume  8.79012E+06 ppm1      8.342 ppm2      4.664
 ASSI {  303}
   (  segid    A and resid 32   and name  HB# )
   (( segid    A and resid 33   and name  HN  ))

      5.000     3.200     0.000 peak   303 weight  1.00000E+00 volume  1.04144E+09 ppm1      9.128 ppm2      2.112
 OR {  303}
   (( segid    A and resid 32   and name  HG2 ))
   (( segid    A and resid 33   and name  HN  ))
 ASSI {  703}
   (  segid    A and resid 51   and name  HG# )
   (( segid    A and resid 52   and name  HN  ))

      4.000     2.200     0.000 peak   703 weight  1.00000E+00 volume  7.96542E+08 ppm1      8.640 ppm2      2.532
 ASSI {  347}
   (( segid    A and resid 41   and name  HB1 ))
   (( segid    A and resid 42   and name  HN  ))

      4.000     2.200     0.000 peak   347 weight  1.00000E+00 volume  1.50166E+09 ppm1      9.308 ppm2      1.607
 ASSI {  529}
   (( segid    A and resid 24   and name  HN  ))
   (( segid    A and resid 22   and name  HN  ))

      5.000     3.200     0.000 peak   529 weight  1.00000E+00 volume  2.54624E+08 ppm1      8.936 ppm2      8.775
 ASSI {  202}
   (( segid    A and resid 13   and name  HA  ))
   (( segid    A and resid 14   and name  HN  ))

      4.000     2.200     0.000 peak   202 weight  1.00000E+00 volume  1.77690E+07 ppm1      8.739 ppm2      5.010
 ASSI {  656}
   (  segid    A and resid 35   and name  HG# )
   (( segid    A and resid 35   and name  HN  ))

      5.000     3.200     0.000 peak   656 weight  1.00000E+00 volume  6.12899E+08 ppm1      8.431 ppm2      2.334
 ASSI {  229}
   (( segid    A and resid 15   and name  HN  ))
   (( segid    A and resid 17   and name  HN  ))

      5.000     3.200     0.000 peak   229 weight  1.00000E+00 volume  7.97916E+08 ppm1      8.025 ppm2      7.853
 ASSI {    4}
   (( segid    A and resid 43   and name  HD1 ))
   (( segid    A and resid 43   and name  HE1 ))

      4.000     2.200     0.000 peak     4 weight  1.00000E+00 volume  3.78978E+09 ppm1      9.729 ppm2      6.754
 ASSI {  307}
   (  segid    A and resid 35   and name  HG# )
   (( segid    A and resid 34   and name  HN  ))

      5.000     3.200     0.000 peak   307 weight  1.00000E+00 volume  7.19790E+08 ppm1      7.584 ppm2      2.320
 ASSI {  382}
   (( segid    A and resid 51   and name  HA  ))
   (( segid    A and resid 52   and name  HN  ))

      2.800     1.000     0.000 peak   382 weight  1.00000E+00 volume  3.84290E+07 ppm1      8.637 ppm2      4.518
 ASSI {  463}
   (( segid    A and resid 65   and name  HA  ))
   (( segid    A and resid 64   and name  HN  ))

      4.000     2.200     0.000 peak   463 weight  1.00000E+00 volume  2.50286E+07 ppm1      8.913 ppm2      4.676
 ASSI {  622}
   (( segid    A and resid 24   and name  HB2 ))
   (( segid    A and resid 24   and name  HN  ))

      4.000     2.200     0.000 peak   622 weight  1.00000E+00 volume  3.30110E+09 ppm1      8.783 ppm2      3.880
 ASSI {  258}
   (( segid    A and resid 56   and name  HB1 ))
   (( segid    A and resid 24   and name  HN  ))

      5.000     3.200     0.000 peak   258 weight  1.00000E+00 volume  5.06859E+08 ppm1      8.779 ppm2      2.719
 ASSI {  818}
   (( segid    A and resid 45   and name  HB1 ))
   (( segid    A and resid 45   and name  HN  ))

      5.000     3.200     0.000 peak   818 weight  1.00000E+00 volume  7.41870E+06 ppm1      8.346 ppm2      3.750
 ASSI {  610}
   (( segid    A and resid 17   and name  HA  ))
   (( segid    A and resid 17   and name  HN  ))

      4.000     2.200     0.000 peak   610 weight  1.00000E+00 volume  1.24045E+09 ppm1      8.028 ppm2      4.379
 ASSI {  240}
   (( segid    A and resid 21   and name  HA  ))
   (( segid    A and resid 22   and name  HN  ))

      4.000     2.200     0.000 peak   240 weight  1.00000E+00 volume  4.11691E+09 ppm1      8.938 ppm2      3.910
 ASSI {  306}
   (( segid    A and resid 33   and name  HA  ))
   (( segid    A and resid 34   and name  HN  ))

      5.000     3.200     0.000 peak   306 weight  1.00000E+00 volume  8.19787E+06 ppm1      7.584 ppm2      4.662
 ASSI {  100}
   (( segid    A and resid 62   and name  HG1 ))
   (( segid    A and resid 57   and name  HN  ))

      4.000     2.200     0.000 peak   100 weight  1.00000E+00 volume  6.79473E+08 ppm1      8.242 ppm2      0.208
 ASSI {  377}
   (( segid    A and resid 50   and name  HA1 ))
   (( segid    A and resid 51   and name  HN  ))

      5.000     3.200     0.000 peak   377 weight  1.00000E+00 volume  2.62856E+09 ppm1      7.693 ppm2      3.762
 ASSI {  738}
   (( segid    A and resid 63   and name  HN  ))
   (( segid    A and resid 64   and name  HN  ))

      5.000     3.200     0.000 peak   738 weight  1.00000E+00 volume  1.86021E+08 ppm1      8.922 ppm2      7.843
 OR {  738}
   (( segid    A and resid 22   and name  HN  ))
   (( segid    A and resid 63   and name  HN  ))
 ASSI {  485}
   (( segid    A and resid 71   and name  HN  ))
   (( segid    A and resid 70   and name  HN  ))

      5.000     3.200     0.000 peak   485 weight  1.00000E+00 volume  5.25143E+08 ppm1      7.194 ppm2      7.468
 ASSI {  224}
   (( segid    A and resid 13   and name  HB2 ))
   (( segid    A and resid 17   and name  HN  ))

      5.000     3.200     0.000 peak   224 weight  1.00000E+00 volume  1.26101E+09 ppm1      8.027 ppm2      1.845
 ASSI {  408}
   (( segid    A and resid 63   and name  HN  ))
   (( segid    A and resid 55   and name  HN  ))

      4.000     2.200     0.000 peak   408 weight  1.00000E+00 volume  2.98610E+08 ppm1      8.652 ppm2      7.824
 ASSI {  380}
   (( segid    A and resid 51   and name  HB1 ))
   (( segid    A and resid 52   and name  HN  ))

      4.000     2.200     0.000 peak   380 weight  1.00000E+00 volume  1.65385E+09 ppm1      8.637 ppm2      1.838
 ASSI {  498}
   (( segid    A and resid 76   and name  HN  ))
   (( segid    A and resid 75   and name  HA  ))

      2.800     1.000     0.000 peak   498 weight  1.00000E+00 volume  4.76263E+09 ppm1      8.288 ppm2      4.395
 ASSI {  726}
   (( segid    A and resid 61   and name  HB  ))
   (( segid    A and resid 61   and name  HN  ))

      2.800     1.000     0.000 peak   726 weight  1.00000E+00 volume  6.62483E+09 ppm1      8.025 ppm2      1.612
 ASSI {   95}
   (( segid    A and resid 56   and name  HN  ))
   (( segid    A and resid 56   and name  HD21))

      5.000     3.200     0.000 peak    95 weight  1.00000E+00 volume  3.88292E+08 ppm1      6.757 ppm2      9.275
 ASSI {  842}
   (( segid    A and resid 57   and name  HE1 ))
   (( segid    A and resid 62   and name  HE22))

      5.000     3.200     0.000 peak   842 weight  1.00000E+00 volume  3.32881E+06 ppm1     10.183 ppm2      6.011
 ASSI {  120}
   (( segid    A and resid 43   and name  HD1 ))
   (( segid    A and resid 43   and name  HN  ))

      5.000     3.200     0.000 peak   120 weight  1.00000E+00 volume  4.58407E+08 ppm1      8.309 ppm2      6.773
 ASSI {  675}
   (( segid    A and resid 78   and name  HA  ))
   (( segid    A and resid 78   and name  HN  ))

      4.000     2.200     0.000 peak   675 weight  1.00000E+00 volume  8.47177E+08 ppm1      8.263 ppm2      4.995
 ASSI {  195}
   (  segid    A and resid 44   and name  HD2#)
   (( segid    A and resid 44   and name  HN  ))

      6.000     4.200     0.000 peak   195 weight  1.00000E+00 volume  1.49954E+09 ppm1      8.871 ppm2      0.500
 ASSI {  464}
   (( segid    A and resid 22   and name  HA2 ))
   (( segid    A and resid 22   and name  HN  ))

      4.000     2.200     0.000 peak   464 weight  1.00000E+00 volume  1.85304E+09 ppm1      8.942 ppm2      4.319
 ASSI {  765}
   (( segid    A and resid 41   and name  HA  ))
   (( segid    A and resid 42   and name  HN  ))

      4.000     2.200     0.000 peak   765 weight  1.00000E+00 volume  2.56214E+07 ppm1      9.305 ppm2      4.646
 ASSI {  355}
   (( segid    A and resid 44   and name  HA  ))
   (( segid    A and resid 45   and name  HN  ))

      4.000     2.200     0.000 peak   355 weight  1.00000E+00 volume  4.24421E+09 ppm1      8.341 ppm2      4.864
 ASSI {  422}
   (( segid    A and resid 57   and name  HB1 ))
   (( segid    A and resid 58   and name  HN  ))

      5.000     3.200     0.000 peak   422 weight  1.00000E+00 volume  5.88003E+08 ppm1      9.463 ppm2      3.683
 ASSI {  154}
   (( segid    A and resid 76   and name  HE22))
   (( segid    A and resid 76   and name  HE21))

      2.500     0.700     0.000 peak   154 weight  1.00000E+00 volume  2.04530E+10 ppm1      6.602 ppm2      6.735
 ASSI {   76}
   (( segid    A and resid 31   and name  HN  ))
   (( segid    A and resid 30   and name  HN  ))

      4.000     2.200     0.000 peak    76 weight  1.00000E+00 volume  2.06553E+09 ppm1      8.050 ppm2      7.433
 ASSI {  710}
   (( segid    A and resid 69   and name  HA  ))
   (( segid    A and resid 69   and name  HN  ))

      5.000     3.200     0.000 peak   710 weight  1.00000E+00 volume  5.79418E+08 ppm1      8.990 ppm2      3.864
 ASSI {  689}
   (( segid    A and resid 60   and name  HB1 ))
   (( segid    A and resid 60   and name  HN  ))

      4.000     2.200     0.000 peak   689 weight  1.00000E+00 volume  1.37675E+09 ppm1      7.369 ppm2      1.469
 ASSI {  723}
   (( segid    A and resid 62   and name  HA  ))
   (( segid    A and resid 62   and name  HN  ))

      5.000     3.200     0.000 peak   723 weight  1.00000E+00 volume  4.24166E+10 ppm1      8.508 ppm2      4.013
 ASSI {  582}
   (  segid    A and resid 10   and name  HG2#)
   (( segid    A and resid 10   and name  HN  ))

      5.000     3.200     0.000 peak   582 weight  1.00000E+00 volume  2.40529E+09 ppm1      8.653 ppm2      0.743
 ASSI {  197}
   (( segid    A and resid 81   and name  HB2 ))
   (( segid    A and resid 13   and name  HN  ))

      5.000     3.200     0.000 peak   197 weight  1.00000E+00 volume  4.23193E+08 ppm1      8.862 ppm2      3.206
 ASSI {  369}
   (( segid    A and resid 67   and name  HB  ))
   (( segid    A and resid 50   and name  HN  ))

      5.000     3.200     0.000 peak   369 weight  1.00000E+00 volume  7.54177E+08 ppm1      7.221 ppm2      2.224
 ASSI {  532}
   (( segid    A and resid 34   and name  HN  ))
   (( segid    A and resid 35   and name  HN  ))

      5.000     3.200     0.000 peak   532 weight  1.00000E+00 volume  1.97129E+08 ppm1      8.426 ppm2      7.577
 ASSI {  128}
   (( segid    A and resid 58   and name  HN  ))
   (( segid    A and resid 59   and name  HN  ))

      5.000     3.200     0.000 peak   128 weight  1.00000E+00 volume  6.16162E+08 ppm1      8.461 ppm2      9.457
 ASSI {  358}
   (( segid    A and resid 44   and name  HB1 ))
   (( segid    A and resid 45   and name  HN  ))

      5.000     3.200     0.000 peak   358 weight  1.00000E+00 volume  1.93583E+09 ppm1      8.338 ppm2      0.925
 ASSI {  131}
   (( segid    A and resid 58   and name  HA  ))
   (( segid    A and resid 59   and name  HN  ))

      4.000     2.200     0.000 peak   131 weight  1.00000E+00 volume  9.21587E+08 ppm1      8.457 ppm2      4.420
 ASSI {  383}
   (  segid    A and resid 52   and name  HG2#)
   (( segid    A and resid 53   and name  HN  ))

      5.000     3.200     0.000 peak   383 weight  1.00000E+00 volume  2.14522E+09 ppm1      9.363 ppm2      1.064
 ASSI {  830}
   (( segid    A and resid 4    and name  HA2 ))
   (( segid    A and resid 4    and name  HN  ))

      5.000     3.200     0.000 peak   830 weight  1.00000E+00 volume  2.92588E+06 ppm1      8.167 ppm2      3.747
 ASSI {  786}
   (( segid    A and resid 84   and name  HB1 ))
   (( segid    A and resid 84   and name  HN  ))

      4.000     2.200     0.000 peak   786 weight  1.00000E+00 volume  1.42900E+07 ppm1      8.448 ppm2      1.935
 ASSI {  332}
   (( segid    A and resid 40   and name  HN  ))
   (( segid    A and resid 41   and name  HN  ))

      4.000     2.200     0.000 peak   332 weight  1.00000E+00 volume  1.28321E+09 ppm1      7.367 ppm2      8.850
 ASSI {  737}
   (( segid    A and resid 64   and name  HG2 ))
   (( segid    A and resid 64   and name  HN  ))

      5.000     3.200     0.000 peak   737 weight  1.00000E+00 volume  5.50796E+08 ppm1      8.909 ppm2      2.097
 ASSI {   96}
   (( segid    A and resid 56   and name  HA  ))
   (( segid    A and resid 57   and name  HN  ))

      4.000     2.200     0.000 peak    96 weight  1.00000E+00 volume  3.24381E+09 ppm1      8.243 ppm2      5.500
 ASSI {  312}
   (  segid    A and resid 44   and name  HD2#)
   (( segid    A and resid 34   and name  HN  ))

      6.000     4.200     0.000 peak   312 weight  1.00000E+00 volume  5.16240E+08 ppm1      7.586 ppm2      0.490
 ASSI {  569}
   (( segid    A and resid 7    and name  HG  ))
   (( segid    A and resid 6    and name  HN  ))

      5.000     3.200     0.000 peak   569 weight  1.00000E+00 volume  1.67490E+09 ppm1      8.167 ppm2      1.416
 ASSI {  599}
   (( segid    A and resid 14   and name  HA  ))
   (( segid    A and resid 14   and name  HN  ))

      4.000     2.200     0.000 peak   599 weight  1.00000E+00 volume  9.43515E+08 ppm1      8.737 ppm2      4.065
 ASSI {  459}
   (( segid    A and resid 82   and name  HN  ))
   (( segid    A and resid 64   and name  HN  ))

      4.000     2.200     0.000 peak   459 weight  1.00000E+00 volume  2.03244E+09 ppm1      8.911 ppm2      9.378
 ASSI {  755}
   (( segid    A and resid 72   and name  HN  ))
   (( segid    A and resid 72   and name  HA  ))

      2.800     1.000     0.000 peak   755 weight  1.00000E+00 volume  5.91353E+09 ppm1      7.973 ppm2      4.281
 ASSI {  743}
   (( segid    A and resid 76   and name  HN  ))
   (( segid    A and resid 76   and name  HA  ))

      5.000     3.200     0.000 peak   743 weight  1.00000E+00 volume  1.43461E+09 ppm1      8.286 ppm2      4.973
 ASSI {  561}
   (( segid    A and resid 62   and name  HA  ))
   (( segid    A and resid 63   and name  HN  ))

      5.000     3.200     0.000 peak   561 weight  1.00000E+00 volume  4.71655E+08 ppm1      7.824 ppm2      4.019
 ASSI {  734}
   (( segid    A and resid 62   and name  HG2 ))
   (( segid    A and resid 63   and name  HN  ))

      5.000     3.200     0.000 peak   734 weight  1.00000E+00 volume  3.12600E+08 ppm1      7.837 ppm2      1.768
 ASSI {  803}
   (( segid    A and resid 75   and name  HE22))
   (  segid    A and resid 75   and name  HG# )

      4.000     2.200     0.000 peak   803 weight  1.00000E+00 volume  1.35298E+07 ppm1      7.410 ppm2      2.357
 ASSI {  718}
   (( segid    A and resid 62   and name  HB2 ))
   (( segid    A and resid 62   and name  HN  ))

      5.000     3.200     0.000 peak   718 weight  1.00000E+00 volume  1.19992E+09 ppm1      8.505 ppm2      0.509
 ASSI {  695}
   (( segid    A and resid 75   and name  HN  ))
   (  segid    A and resid 75   and name  HB# )

      4.000     2.200     0.000 peak   695 weight  1.00000E+00 volume  3.02866E+09 ppm1      7.761 ppm2      2.042
 ASSI {  733}
   (( segid    A and resid 55   and name  HB  ))
   (( segid    A and resid 55   and name  HN  ))

      4.000     2.200     0.000 peak   733 weight  1.00000E+00 volume  2.01752E+09 ppm1      8.653 ppm2      2.345
 ASSI {  310}
   (( segid    A and resid 33   and name  HB1 ))
   (( segid    A and resid 34   and name  HN  ))

      5.000     3.200     0.000 peak   310 weight  1.00000E+00 volume  5.75391E+08 ppm1      7.585 ppm2      1.372
 ASSI {  217}
   (( segid    A and resid 7    and name  HA  ))
   (( segid    A and resid 46   and name  HN  ))

      4.000     2.200     0.000 peak   217 weight  1.00000E+00 volume  2.33121E+09 ppm1      8.038 ppm2      4.722
 ASSI {  441}
   (( segid    A and resid 58   and name  HB1 ))
   (( segid    A and resid 62   and name  HE21))

      5.000     3.200     0.000 peak   441 weight  1.00000E+00 volume  5.28726E+08 ppm1      6.619 ppm2      2.544
 ASSI {   91}
   (( segid    A and resid 56   and name  HB1 ))
   (( segid    A and resid 56   and name  HD22))

      5.000     3.200     0.000 peak    91 weight  1.00000E+00 volume  4.78452E+08 ppm1      6.357 ppm2      2.726
 ASSI {   94}
   (( segid    A and resid 56   and name  HN  ))
   (( segid    A and resid 56   and name  HD22))

      5.000     3.200     0.000 peak    94 weight  1.00000E+00 volume  1.71181E+08 ppm1      6.351 ppm2      9.280
 ASSI {  443}
   (( segid    A and resid 62   and name  HG2 ))
   (( segid    A and resid 62   and name  HE22))

      5.000     3.200     0.000 peak   443 weight  1.00000E+00 volume  4.60525E+08 ppm1      6.013 ppm2      1.777
 ASSI {  101}
   (( segid    A and resid 57   and name  HZ2 ))
   (( segid    A and resid 57   and name  HE1 ))

      4.000     2.200     0.000 peak   101 weight  1.00000E+00 volume  2.29680E+09 ppm1     10.190 ppm2      7.388
! ASSI {  242}
!   (  segid    A and resid 26   and name  HG2#)
!   (( segid    A and resid 23   and name  HN  ))
!
!      6.000     4.200     0.000 peak   242 weight  1.00000E+00 volume  3.49550E+08 ppm1      7.691 ppm2      0.992
 ASSI {  684}
   (( segid    A and resid 63   and name  HA  ))
   (( segid    A and resid 63   and name  HN  ))

      4.000     2.200     0.000 peak   684 weight  1.00000E+00 volume  9.75351E+08 ppm1      7.830 ppm2      4.684
 ASSI {  319}
   (  segid    A and resid 23   and name  HB# )
   (( segid    A and resid 36   and name  HN  ))

      6.000     4.200     0.000 peak   319 weight  1.00000E+00 volume  6.89525E+08 ppm1      8.795 ppm2      1.357
 ASSI {  686}
   (( segid    A and resid 63   and name  HB1 ))
   (( segid    A and resid 63   and name  HN  ))

      5.000     3.200     0.000 peak   686 weight  1.00000E+00 volume  2.00087E+08 ppm1      7.829 ppm2      3.384
 ASSI {  585}
   (( segid    A and resid 40   and name  HA2 ))
   (( segid    A and resid 11   and name  HN  ))

      5.000     3.200     0.000 peak   585 weight  1.00000E+00 volume  8.05015E+08 ppm1      8.755 ppm2      3.940
 ASSI {  391}
   (( segid    A and resid 53   and name  HA  ))
   (( segid    A and resid 65   and name  HN  ))

      5.000     3.200     0.000 peak   391 weight  1.00000E+00 volume  8.44006E+08 ppm1      8.779 ppm2      5.015
 ASSI {  550}
   (( segid    A and resid 56   and name  HB2 ))
   (( segid    A and resid 57   and name  HN  ))

      5.000     3.200     0.000 peak   550 weight  1.00000E+00 volume  7.94151E+08 ppm1      8.240 ppm2      2.418
 ASSI {  266}
   (( segid    A and resid 34   and name  HN  ))
   (( segid    A and resid 25   and name  HN  ))

      4.000     2.200     0.000 peak   266 weight  1.00000E+00 volume  3.53135E+08 ppm1      8.324 ppm2      7.585
 ASSI {  828}
   (( segid    A and resid 2    and name  HN  ))
   (( segid    A and resid 2    and name  HB1 ))

      5.000     3.200     0.000 peak   828 weight  1.00000E+00 volume  5.00969E+06 ppm1      8.233 ppm2      1.553
 ASSI {  580}
   (( segid    A and resid 10   and name  HA  ))
   (( segid    A and resid 10   and name  HN  ))

      5.000     3.200     0.000 peak   580 weight  1.00000E+00 volume  4.28946E+08 ppm1      8.652 ppm2      4.270
 ASSI {  321}
   (( segid    A and resid 35   and name  HA  ))
   (( segid    A and resid 36   and name  HN  ))

      4.000     2.200     0.000 peak   321 weight  1.00000E+00 volume  3.07785E+07 ppm1      8.795 ppm2      5.268
 ASSI {   56}
   (( segid    A and resid 62   and name  HE22))
   (( segid    A and resid 62   and name  HE21))

      2.800     1.000     0.000 peak    56 weight  1.00000E+00 volume  6.22352E+09 ppm1      6.013 ppm2      6.621
 ASSI {  611}
   (( segid    A and resid 18   and name  HA  ))
   (( segid    A and resid 18   and name  HN  ))

      4.000     2.200     0.000 peak   611 weight  1.00000E+00 volume  1.46376E+09 ppm1      8.226 ppm2      4.942
 ASSI {  593}
   (( segid    A and resid 13   and name  HB2 ))
   (( segid    A and resid 13   and name  HN  ))

      4.000     2.200     0.000 peak   593 weight  1.00000E+00 volume  4.53036E+09 ppm1      8.858 ppm2      1.824
 ASSI {  162}
   (( segid    A and resid 5    and name  HN  ))
   (  segid    A and resid 5    and name  HB# )

      5.000     3.200     0.000 peak   162 weight  1.00000E+00 volume  8.06934E+08 ppm1      8.764 ppm2      1.643
 ASSI {  119}
   (  segid    A and resid 44   and name  HD2#)
   (( segid    A and resid 25   and name  HN  ))

      6.000     4.200     0.000 peak   119 weight  1.00000E+00 volume  4.95010E+08 ppm1      8.324 ppm2      0.482
 ASSI {  378}
   (( segid    A and resid 67   and name  HB  ))
   (( segid    A and resid 51   and name  HN  ))

      4.000     2.200     0.000 peak   378 weight  1.00000E+00 volume  1.65350E+09 ppm1      7.694 ppm2      2.221
 ASSI {  432}
   (( segid    A and resid 60   and name  HN  ))
   (( segid    A and resid 61   and name  HN  ))

      5.000     3.200     0.000 peak   432 weight  1.00000E+00 volume  2.18983E+08 ppm1      7.372 ppm2      8.013
 ASSI {  712}
   (  segid    A and resid 69   and name  HB# )
   (( segid    A and resid 69   and name  HN  ))

      4.000     2.200     0.000 peak   712 weight  1.00000E+00 volume  2.06983E+09 ppm1      8.987 ppm2      2.017
 ASSI {  424}
   (( segid    A and resid 57   and name  HB2 ))
   (( segid    A and resid 58   and name  HN  ))

      4.000     2.200     0.000 peak   424 weight  1.00000E+00 volume  1.10280E+09 ppm1      9.453 ppm2      3.310
 ASSI {  262}
   (  segid    A and resid 26   and name  HG2#)
   (( segid    A and resid 24   and name  HN  ))

      6.000     4.200     0.000 peak   262 weight  1.00000E+00 volume  4.87295E+08 ppm1      8.786 ppm2      1.007
 ASSI {  664}
   (  segid    A and resid 39   and name  HG# )
   (( segid    A and resid 39   and name  HN  ))

      4.000     2.200     0.000 peak   664 weight  1.00000E+00 volume  2.24878E+09 ppm1      8.830 ppm2      2.209
 ASSI {  612}
   (  segid    A and resid 18   and name  HG# )
   (( segid    A and resid 18   and name  HN  ))

      4.000     2.200     0.000 peak   612 weight  1.00000E+00 volume  1.46226E+09 ppm1      8.224 ppm2      2.250
 ASSI {  829}
   (( segid    A and resid 4    and name  HA1 ))
   (( segid    A and resid 4    and name  HN  ))

      5.000     3.200     0.000 peak   829 weight  1.00000E+00 volume  3.36109E+06 ppm1      8.163 ppm2      3.939
 ASSI {  333}
   (  segid    A and resid 38   and name  HB# )
   (( segid    A and resid 39   and name  HN  ))

      4.000     2.200     0.000 peak   333 weight  1.00000E+00 volume  2.39723E+09 ppm1      8.831 ppm2      2.745
 ASSI {  297}
   (( segid    A and resid 32   and name  HG2 ))
   (( segid    A and resid 30   and name  HN  ))

      5.000     3.200     0.000 peak   297 weight  1.00000E+00 volume  3.09459E+08 ppm1      8.053 ppm2      2.099
 OR {  297}
   (  segid    A and resid 32   and name  HB# )
   (( segid    A and resid 30   and name  HN  ))
 ASSI {  848}
   (( segid    A and resid 47   and name  HB  ))
   (( segid    A and resid 47   and name  HN  ))

      4.000     2.200     0.000 peak   848 weight  1.00000E+00 volume  1.11152E+07 ppm1      8.185 ppm2      1.822
 ASSI {  160}
   (( segid    A and resid 4    and name  HA2 ))
   (( segid    A and resid 5    and name  HN  ))

      5.000     3.200     0.000 peak   160 weight  1.00000E+00 volume  2.90080E+08 ppm1      8.785 ppm2      3.709
 ASSI {  720}
   (( segid    A and resid 62   and name  HB1 ))
   (( segid    A and resid 62   and name  HN  ))

      5.000     3.200     0.000 peak   720 weight  1.00000E+00 volume  5.70004E+08 ppm1      8.509 ppm2      1.136
 ASSI {  425}
   (( segid    A and resid 57   and name  HA  ))
   (( segid    A and resid 58   and name  HN  ))

      4.000     2.200     0.000 peak   425 weight  1.00000E+00 volume  1.58840E+09 ppm1      9.450 ppm2      4.952
 ASSI {  624}
   (  segid    A and resid 25   and name  HG1#)
   (( segid    A and resid 25   and name  HN  ))

      5.000     3.200     0.000 peak   624 weight  1.00000E+00 volume  2.94277E+09 ppm1      8.327 ppm2      0.664
 ASSI {  190}
   (( segid    A and resid 11   and name  HN  ))
   (( segid    A and resid 12   and name  HN  ))

      5.000     3.200     0.000 peak   190 weight  1.00000E+00 volume  7.64775E+08 ppm1      7.575 ppm2      8.746
 ASSI {  384}
   (  segid    A and resid 65   and name  HG2#)
   (( segid    A and resid 53   and name  HN  ))

      5.000     3.200     0.000 peak   384 weight  1.00000E+00 volume  2.51423E+09 ppm1      9.368 ppm2      0.705
 ASSI {  168}
   (( segid    A and resid 6    and name  HA  ))
   (( segid    A and resid 7    and name  HN  ))

      4.000     2.200     0.000 peak   168 weight  1.00000E+00 volume  2.96260E+07 ppm1      8.523 ppm2      5.094
 ASSI {  814}
   (( segid    A and resid 48   and name  HB  ))
   (( segid    A and resid 48   and name  HN  ))

      2.800     1.000     0.000 peak   814 weight  1.00000E+00 volume  3.97279E+07 ppm1      9.549 ppm2      3.932
 ASSI {  698}
   (( segid    A and resid 56   and name  HB1 ))
   (( segid    A and resid 56   and name  HN  ))

      5.000     3.200     0.000 peak   698 weight  1.00000E+00 volume  8.81347E+08 ppm1      9.281 ppm2      2.721
 ASSI {  552}
   (( segid    A and resid 62   and name  HB1 ))
   (( segid    A and resid 57   and name  HN  ))

      6.000     4.200     0.000 peak   552 weight  1.00000E+00 volume  2.43404E+08 ppm1      8.257 ppm2      1.117
 ASSI {  745}
   (( segid    A and resid 76   and name  HN  ))
   (  segid    A and resid 76   and name  HB# )

      4.000     2.200     0.000 peak   745 weight  1.00000E+00 volume  3.72928E+09 ppm1      8.288 ppm2      1.891
 ASSI {  637}
   (( segid    A and resid 31   and name  HA  ))
   (( segid    A and resid 31   and name  HN  ))

      4.000     2.200     0.000 peak   637 weight  1.00000E+00 volume  1.52028E+09 ppm1      7.433 ppm2      4.369
 ASSI {  316}
   (( segid    A and resid 34   and name  HA2 ))
   (( segid    A and resid 35   and name  HN  ))

      4.000     2.200     0.000 peak   316 weight  1.00000E+00 volume  1.90668E+07 ppm1      8.433 ppm2      4.463
 ASSI {  727}
   (( segid    A and resid 60   and name  HA  ))
   (( segid    A and resid 61   and name  HN  ))

      2.800     1.000     0.000 peak   727 weight  1.00000E+00 volume  6.59189E+09 ppm1      8.025 ppm2      4.610
 ASSI {  547}
   (( segid    A and resid 57   and name  HA  ))
   (( segid    A and resid 60   and name  HN  ))

      6.000     4.200     0.000 peak   547 weight  1.00000E+00 volume  2.00420E+08 ppm1      7.387 ppm2      4.949
 ASSI {  474}
   (( segid    A and resid 70   and name  HN  ))
   (( segid    A and resid 69   and name  HN  ))

      5.000     3.200     0.000 peak   474 weight  1.00000E+00 volume  2.89527E+08 ppm1      8.988 ppm2      7.187
 ASSI {  166}
   (( segid    A and resid 7    and name  HG  ))
   (( segid    A and resid 5    and name  HN  ))

      5.000     3.200     0.000 peak   166 weight  1.00000E+00 volume  6.47263E+08 ppm1      8.775 ppm2      1.396
 ASSI {  856}
   (( segid    A and resid 57   and name  HD1 ))
   (( segid    A and resid 62   and name  HE21))

      5.000     3.200     0.000 peak   856 weight  1.00000E+00 volume  4.39572E+06 ppm1      6.618 ppm2      7.175
 ASSI {  633}
   (( segid    A and resid 28   and name  HB1 ))
   (( segid    A and resid 28   and name  HN  ))

      4.000     2.200     0.000 peak   633 weight  1.00000E+00 volume  2.17202E+09 ppm1      9.611 ppm2      2.387
 OR {  633}
   (( segid    A and resid 28   and name  HG1 ))
   (( segid    A and resid 28   and name  HN  ))
 OR {  633}
   (( segid    A and resid 32   and name  HG1 ))
   (( segid    A and resid 28   and name  HN  ))
 ASSI {  451}
   (( segid    A and resid 62   and name  HG1 ))
   (( segid    A and resid 62   and name  HE22))

      5.000     3.200     0.000 peak   451 weight  1.00000E+00 volume  7.46667E+08 ppm1      6.015 ppm2      0.198
 ASSI {  536}
   (( segid    A and resid 39   and name  HN  ))
   (( segid    A and resid 38   and name  HN  ))

      5.000     3.200     0.000 peak   536 weight  1.00000E+00 volume  2.28960E+08 ppm1      8.835 ppm2      8.011
 ASSI {  597}
   (  segid    A and resid 14   and name  HB# )
   (( segid    A and resid 14   and name  HN  ))

      4.000     2.200     0.000 peak   597 weight  1.00000E+00 volume  2.86295E+09 ppm1      8.740 ppm2      1.509
 ASSI {  309}
   (  segid    A and resid 33   and name  HD2#)
   (( segid    A and resid 34   and name  HN  ))

      5.000     3.200     0.000 peak   309 weight  1.00000E+00 volume  2.03113E+09 ppm1      7.584 ppm2      1.742
 ASSI {  264}
   (  segid    A and resid 26   and name  HG2#)
   (( segid    A and resid 56   and name  HN  ))

      5.000     3.200     0.000 peak   264 weight  1.00000E+00 volume  3.15267E+09 ppm1      9.280 ppm2      1.014
 ASSI {  571}
   (( segid    A and resid 7    and name  HN  ))
   (  segid    A and resid 7    and name  HB# )

      4.000     2.200     0.000 peak   571 weight  1.00000E+00 volume  3.87017E+09 ppm1      8.524 ppm2      1.687
 ASSI {  705}
   (  segid    A and resid 52   and name  HG2#)
   (( segid    A and resid 52   and name  HN  ))

      6.000     4.200     0.000 peak   705 weight  1.00000E+00 volume  7.03871E+08 ppm1      8.641 ppm2      1.068
 ASSI {  662}
   (( segid    A and resid 37   and name  HA  ))
   (( segid    A and resid 37   and name  HN  ))

      4.000     2.200     0.000 peak   662 weight  1.00000E+00 volume  9.50976E+08 ppm1      9.079 ppm2      4.188
 ASSI {  618}
   (  segid    A and resid 23   and name  HB# )
   (( segid    A and resid 23   and name  HN  ))

      4.000     2.200     0.000 peak   618 weight  1.00000E+00 volume  4.12272E+09 ppm1      7.693 ppm2      1.349
 ASSI {  259}
   (( segid    A and resid 56   and name  HB2 ))
   (( segid    A and resid 24   and name  HN  ))

      5.000     3.200     0.000 peak   259 weight  1.00000E+00 volume  5.45206E+08 ppm1      8.787 ppm2      2.397
 ASSI {  208}
   (( segid    A and resid 14   and name  HA  ))
   (( segid    A and resid 15   and name  HN  ))

      5.000     3.200     0.000 peak   208 weight  1.00000E+00 volume  5.33866E+06 ppm1      7.834 ppm2      4.066
 ASSI {  822}
   (( segid    A and resid 44   and name  HB2 ))
   (( segid    A and resid 44   and name  HN  ))

      4.000     2.200     0.000 peak   822 weight  1.00000E+00 volume  2.38700E+07 ppm1      8.871 ppm2      1.698
 ASSI {  129}
   (( segid    A and resid 57   and name  HZ2 ))
   (( segid    A and resid 59   and name  HN  ))

      4.000     2.200     0.000 peak   129 weight  1.00000E+00 volume  1.44262E+09 ppm1      8.455 ppm2      7.375
 ASSI {  658}
   (( segid    A and resid 22   and name  HA1 ))
   (( segid    A and resid 36   and name  HN  ))

      5.000     3.200     0.000 peak   658 weight  1.00000E+00 volume  3.04808E+08 ppm1      8.796 ppm2      3.481
 ASSI {  559}
   (( segid    A and resid 82   and name  HB  ))
   (( segid    A and resid 82   and name  HN  ))

      5.000     3.200     0.000 peak   559 weight  1.00000E+00 volume  9.98947E+08 ppm1      9.385 ppm2      4.326
 ASSI {  650}
   (( segid    A and resid 26   and name  HA  ))
   (( segid    A and resid 33   and name  HN  ))

      4.000     2.200     0.000 peak   650 weight  1.00000E+00 volume  1.00629E+09 ppm1      9.120 ppm2      5.412
 ASSI {  461}
   (( segid    A and resid 65   and name  HA  ))
   (( segid    A and resid 82   and name  HN  ))

      5.000     3.200     0.000 peak   461 weight  1.00000E+00 volume  7.45475E+08 ppm1      9.368 ppm2      4.663
 ASSI {  670}
   (( segid    A and resid 30   and name  HA2 ))
   (( segid    A and resid 27   and name  HN  ))

      6.000     4.200     0.000 peak   670 weight  1.00000E+00 volume  1.75905E+08 ppm1      9.036 ppm2      4.202
 ASSI {  435}
   (  segid    A and resid 61   and name  HG2#)
   (( segid    A and resid 62   and name  HN  ))

      6.000     4.200     0.000 peak   435 weight  1.00000E+00 volume  9.19343E+08 ppm1      8.506 ppm2      0.700
 ASSI {  508}
   (( segid    A and resid 13   and name  HN  ))
   (( segid    A and resid 17   and name  HN  ))

      5.000     3.200     0.000 peak   508 weight  1.00000E+00 volume  2.38716E+08 ppm1      8.023 ppm2      8.858
 ASSI {  564}
   (( segid    A and resid 6    and name  HA  ))
   (( segid    A and resid 6    and name  HN  ))

      5.000     3.200     0.000 peak   564 weight  1.00000E+00 volume  5.55714E+08 ppm1      8.167 ppm2      5.093
 ASSI {  179}
   (( segid    A and resid 10   and name  HG11))
   (( segid    A and resid 10   and name  HN  ))

      4.000     2.200     0.000 peak   179 weight  1.00000E+00 volume  9.89527E+08 ppm1      8.660 ppm2      1.324
 ASSI {  852}
   (( segid    A and resid 39   and name  HB1 ))
   (( segid    A and resid 39   and name  HN  ))

      4.000     2.200     0.000 peak   852 weight  1.00000E+00 volume  1.27734E+07 ppm1      8.830 ppm2      2.270
 ASSI {  173}
   (( segid    A and resid 9    and name  HA  ))
   (( segid    A and resid 10   and name  HN  ))

      4.000     2.200     0.000 peak   173 weight  1.00000E+00 volume  5.30085E+09 ppm1      8.654 ppm2      5.053
 ASSI {  627}
   (( segid    A and resid 43   and name  HB2 ))
   (( segid    A and resid 43   and name  HN  ))

      4.000     2.200     0.000 peak   627 weight  1.00000E+00 volume  1.58716E+09 ppm1      8.308 ppm2      2.929
 ASSI {  690}
   (( segid    A and resid 60   and name  HG1 ))
   (( segid    A and resid 60   and name  HN  ))

      4.000     2.200     0.000 peak   690 weight  1.00000E+00 volume  1.05235E+09 ppm1      7.367 ppm2      1.172
 ASSI {  769}
   (( segid    A and resid 33   and name  HA  ))
   (( segid    A and resid 33   and name  HN  ))

      5.000     3.200     0.000 peak   769 weight  1.00000E+00 volume  1.09903E+09 ppm1      9.121 ppm2      4.659
 ASSI {  647}
   (  segid    A and resid 33   and name  HD1#)
   (( segid    A and resid 33   and name  HN  ))

      5.000     3.200     0.000 peak   647 weight  1.00000E+00 volume  1.15211E+09 ppm1      9.128 ppm2      0.768
 ASSI {  731}
   (  segid    A and resid 61   and name  HG1#)
   (( segid    A and resid 55   and name  HN  ))

      5.000     3.200     0.000 peak   731 weight  1.00000E+00 volume  6.38754E+08 ppm1      8.653 ppm2      1.011
 ASSI {  613}
   (( segid    A and resid 18   and name  HB1 ))
   (( segid    A and resid 18   and name  HN  ))

      4.000     2.200     0.000 peak   613 weight  1.00000E+00 volume  2.42380E+09 ppm1      8.223 ppm2      1.814
 ASSI {  295}
   (( segid    A and resid 31   and name  HA  ))
   (( segid    A and resid 30   and name  HN  ))

      4.000     2.200     0.000 peak   295 weight  1.00000E+00 volume  1.06092E+07 ppm1      8.051 ppm2      4.384
 ASSI {  753}
   (( segid    A and resid 59   and name  HA1 ))
   (( segid    A and resid 59   and name  HN  ))

      4.000     2.200     0.000 peak   753 weight  1.00000E+00 volume  2.75942E+09 ppm1      8.456 ppm2      3.646
 ASSI {  717}
   (( segid    A and resid 64   and name  HA  ))
   (( segid    A and resid 64   and name  HN  ))

      5.000     3.200     0.000 peak   717 weight  1.00000E+00 volume  9.97523E+08 ppm1      8.915 ppm2      5.456
 ASSI {  434}
   (  segid    A and resid 61   and name  HG1#)
   (( segid    A and resid 61   and name  HN  ))

      4.000     2.200     0.000 peak   434 weight  1.00000E+00 volume  1.16984E+09 ppm1      8.025 ppm2      1.010
 ASSI {  576}
   (( segid    A and resid 8    and name  HB2 ))
   (( segid    A and resid 8    and name  HN  ))

      4.000     2.200     0.000 peak   576 weight  1.00000E+00 volume  1.49318E+09 ppm1      8.541 ppm2      2.744
 ASSI {  351}
   (( segid    A and resid 42   and name  HN  ))
   (( segid    A and resid 41   and name  HN  ))

      5.000     3.200     0.000 peak   351 weight  1.00000E+00 volume  6.03538E+08 ppm1      9.306 ppm2      7.360
 ASSI {  311}
   (  segid    A and resid 25   and name  HG2#)
   (( segid    A and resid 34   and name  HN  ))

      5.000     3.200     0.000 peak   311 weight  1.00000E+00 volume  1.33834E+09 ppm1      7.583 ppm2      0.740
 ASSI {  134}
   (( segid    A and resid 60   and name  HN  ))
   (( segid    A and resid 59   and name  HN  ))

      4.000     2.200     0.000 peak   134 weight  1.00000E+00 volume  9.85498E+08 ppm1      7.369 ppm2      8.460
 ASSI {  219}
   (( segid    A and resid 17   and name  HB1 ))
   (( segid    A and resid 16   and name  HN  ))

      5.000     3.200     0.000 peak   219 weight  1.00000E+00 volume  5.42137E+08 ppm1      8.213 ppm2      4.067
 ASSI {  491}
   (( segid    A and resid 74   and name  HN  ))
   (( segid    A and resid 74   and name  HA  ))

      4.000     2.200     0.000 peak   491 weight  1.00000E+00 volume  4.33755E+09 ppm1      8.784 ppm2      4.451
 ASSI {  450}
   (( segid    A and resid 58   and name  HB1 ))
   (( segid    A and resid 62   and name  HE22))

      5.000     3.200     0.000 peak   450 weight  1.00000E+00 volume  3.77881E+08 ppm1      6.011 ppm2      2.545
 ASSI {  527}
   (( segid    A and resid 22   and name  HN  ))
   (( segid    A and resid 21   and name  HN  ))

      6.000     4.200     0.000 peak   527 weight  1.00000E+00 volume  3.30623E+08 ppm1      8.005 ppm2      8.864
 ASSI {  812}
   (( segid    A and resid 54   and name  HA  ))
   (( segid    A and resid 54   and name  HN  ))

      4.000     2.200     0.000 peak   812 weight  1.00000E+00 volume  3.60809E+07 ppm1      8.944 ppm2      4.964
 ASSI {  285}
   (( segid    A and resid 30   and name  HA1 ))
   (( segid    A and resid 27   and name  HN  ))

      5.000     3.200     0.000 peak   285 weight  1.00000E+00 volume  1.31981E+08 ppm1      9.029 ppm2      3.611
 ASSI {  813}
   (  segid    A and resid 54   and name  HB# )
   (( segid    A and resid 54   and name  HN  ))

      4.000     2.200     0.000 peak   813 weight  1.00000E+00 volume  1.27336E+07 ppm1      8.949 ppm2      3.776
 ASSI {  244}
   (( segid    A and resid 22   and name  HA1 ))
   (( segid    A and resid 23   and name  HN  ))

      4.000     2.200     0.000 peak   244 weight  1.00000E+00 volume  7.40945E+08 ppm1      7.694 ppm2      3.479
 ASSI {  453}
   (( segid    A and resid 55   and name  HB  ))
   (( segid    A and resid 63   and name  HN  ))

      5.000     3.200     0.000 peak   453 weight  1.00000E+00 volume  6.75886E+08 ppm1      7.826 ppm2      2.348
 ASSI {  770}
   (( segid    A and resid 62   and name  HB1 ))
   (( segid    A and resid 62   and name  HE21))

      5.000     3.200     0.000 peak   770 weight  1.00000E+00 volume  5.31616E+06 ppm1      6.617 ppm2      1.150
 ASSI {  566}
   (( segid    A and resid 6    and name  HN  ))
   (( segid    A and resid 5    and name  HA  ))

      4.000     2.200     0.000 peak   566 weight  1.00000E+00 volume  5.09476E+10 ppm1      8.168 ppm2      4.481
 ASSI {  274}
   (( segid    A and resid 36   and name  HN  ))
   (( segid    A and resid 25   and name  HN  ))

      5.000     3.200     0.000 peak   274 weight  1.00000E+00 volume  3.14819E+08 ppm1      8.790 ppm2      8.350
 ASSI {  608}
   (( segid    A and resid 17   and name  HB1 ))
   (( segid    A and resid 17   and name  HN  ))

      4.000     2.200     0.000 peak   608 weight  1.00000E+00 volume  1.21589E+09 ppm1      8.023 ppm2      4.045
 ASSI {  381}
   (( segid    A and resid 51   and name  HG2 ))
   (( segid    A and resid 52   and name  HN  ))

      4.000     2.200     0.000 peak   381 weight  1.00000E+00 volume  3.55767E+09 ppm1      8.639 ppm2      2.423
 ASSI {  849}
   (  segid    A and resid 47   and name  HG2#)
   (( segid    A and resid 47   and name  HN  ))

      5.000     3.200     0.000 peak   849 weight  1.00000E+00 volume  1.47041E+07 ppm1      8.186 ppm2      0.748

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   VAL   1           HT1      VAL   1 -10.480 -20.681  -3.228
    2    H2   VAL   1           HT2      VAL   1  -9.580 -20.853  -1.802
    3    H3   VAL   1           HT3      VAL   1  -8.856 -20.195  -3.186
    4    HA   VAL   1           HA       VAL   1 -10.262 -18.284  -3.098
    5    HB   VAL   1           HB       VAL   1 -11.671 -17.915  -1.055
    6   HG11  VAL   1          HG11      VAL   1 -12.668 -18.457  -3.208
    7   HG12  VAL   1          HG12      VAL   1 -13.579 -19.200  -1.892
    8   HG13  VAL   1          HG13      VAL   1 -12.488 -20.179  -2.872
    9   HG21  VAL   1          HG21      VAL   1 -12.436 -19.886   0.187
   10   HG22  VAL   1          HG22      VAL   1 -10.701 -19.631   0.374
   11   HG23  VAL   1          HG23      VAL   1 -11.295 -20.889  -0.708
   12    H    LEU   2           HN       LEU   2  -8.192 -19.983  -0.937
   13    HA   LEU   2           HA       LEU   2  -7.353 -17.400   0.133
   14    HB2  LEU   2           HB2      LEU   2  -7.141 -20.187   1.214
   15    HB3  LEU   2           HB1      LEU   2  -6.205 -18.864   1.884
   16    HG   LEU   2           HG       LEU   2  -9.214 -19.092   1.815
   17   HD11  LEU   2          HD11      LEU   2  -7.236 -19.063   4.087
   18   HD12  LEU   2          HD12      LEU   2  -8.166 -20.452   3.523
   19   HD13  LEU   2          HD13      LEU   2  -8.991 -19.076   4.255
   20   HD21  LEU   2          HD21      LEU   2  -9.235 -16.971   3.039
   21   HD22  LEU   2          HD22      LEU   2  -8.556 -16.783   1.422
   22   HD23  LEU   2          HD23      LEU   2  -7.489 -16.835   2.825
   23    H    LYS   3           HN       LYS   3  -6.299 -17.351  -2.125
   24    HA   LYS   3           HA       LYS   3  -3.452 -17.936  -1.615
   25    HB2  LYS   3           HB2      LYS   3  -4.712 -16.608  -4.042
   26    HB3  LYS   3           HB1      LYS   3  -3.018 -17.045  -3.858
   27    HG2  LYS   3           HG2      LYS   3  -5.301 -19.012  -3.923
   28    HG3  LYS   3           HG1      LYS   3  -4.278 -18.603  -5.299
   29    HD2  LYS   3           HD2      LYS   3  -2.327 -19.466  -4.151
   30    HD3  LYS   3           HD1      LYS   3  -3.281 -19.762  -2.697
   31    HE2  LYS   3           HE2      LYS   3  -2.879 -21.817  -4.005
   32    HE3  LYS   3           HE1      LYS   3  -4.593 -21.432  -3.849
   33    HZ1  LYS   3           HZ1      LYS   3  -2.976 -20.686  -6.225
   34    HZ2  LYS   3           HZ2      LYS   3  -4.666 -20.652  -6.068
   35    HZ3  LYS   3           HZ3      LYS   3  -3.849 -22.137  -6.119
   36    H    GLY   4           HN       GLY   4  -5.761 -15.439  -2.466
   37    HA2  GLY   4           HA2      GLY   4  -5.433 -14.278   0.035
   38    HA3  GLY   4           HA1      GLY   4  -4.733 -13.151  -1.110
   39    H    LYS   5           HN       LYS   5  -6.204 -11.810  -0.445
   40    HA   LYS   5           HA       LYS   5  -8.767 -11.860  -1.631
   41    HB2  LYS   5           HB2      LYS   5  -8.449 -12.349   1.321
   42    HB3  LYS   5           HB1      LYS   5  -9.822 -11.417   0.726
   43    HG2  LYS   5           HG2      LYS   5  -9.106 -14.241  -0.046
   44    HG3  LYS   5           HG1      LYS   5 -10.452 -13.736   0.980
   45    HD2  LYS   5           HD2      LYS   5 -11.658 -12.891  -0.789
   46    HD3  LYS   5           HD1      LYS   5 -10.218 -12.571  -1.755
   47    HE2  LYS   5           HE2      LYS   5  -9.952 -15.061  -1.988
   48    HE3  LYS   5           HE1      LYS   5 -11.544 -15.227  -1.245
   49    HZ1  LYS   5           HZ1      LYS   5 -11.087 -13.562  -3.650
   50    HZ2  LYS   5           HZ2      LYS   5 -12.560 -14.140  -3.042
   51    HZ3  LYS   5           HZ3      LYS   5 -11.455 -15.213  -3.754
   52    H    ARG   6           HN       ARG   6  -8.666 -10.010   1.057
   53    HA   ARG   6           HA       ARG   6  -7.645  -7.914  -0.367
   54    HB2  ARG   6           HB2      ARG   6  -9.439  -6.731  -0.911
   55    HB3  ARG   6           HB1      ARG   6 -10.463  -8.057  -0.391
   56    HG2  ARG   6           HG2      ARG   6 -10.481  -7.086   1.879
   57    HG3  ARG   6           HG1      ARG   6  -9.560  -5.733   1.225
   58    HD2  ARG   6           HD2      ARG   6 -11.385  -5.440  -0.473
   59    HD3  ARG   6           HD1      ARG   6 -12.324  -6.604   0.463
   60    HE   ARG   6           HE       ARG   6 -12.136  -4.989   2.348
   61   HH11  ARG   6          HH11      ARG   6 -11.729  -3.906  -0.950
   62   HH12  ARG   6          HH12      ARG   6 -12.292  -2.288  -0.635
   63   HH21  ARG   6          HH21      ARG   6 -12.873  -2.857   2.787
   64   HH22  ARG   6          HH22      ARG   6 -12.949  -1.695   1.497
   65    H    LEU   7           HN       LEU   7  -7.457  -6.073   1.509
   66    HA   LEU   7           HA       LEU   7  -6.955  -7.550   3.810
   67    HB2  LEU   7           HB2      LEU   7  -4.371  -6.747   3.434
   68    HB3  LEU   7           HB1      LEU   7  -4.989  -8.384   3.402
   69    HG   LEU   7           HG       LEU   7  -3.627  -7.745   1.484
   70   HD11  LEU   7          HD11      LEU   7  -6.318  -8.663   0.840
   71   HD12  LEU   7          HD12      LEU   7  -4.941  -9.648   1.331
   72   HD13  LEU   7          HD13      LEU   7  -4.910  -8.795  -0.212
   73   HD21  LEU   7          HD21      LEU   7  -4.152  -5.479   1.128
   74   HD22  LEU   7          HD22      LEU   7  -5.849  -5.870   0.881
   75   HD23  LEU   7          HD23      LEU   7  -4.644  -6.369  -0.312
   76    H    PHE   8           HN       PHE   8  -4.948  -6.119   5.043
   77    HA   PHE   8           HA       PHE   8  -6.092  -3.397   5.157
   78    HB2  PHE   8           HB2      PHE   8  -5.053  -4.592   7.688
   79    HB3  PHE   8           HB1      PHE   8  -6.274  -3.346   7.454
   80    HD1  PHE   8           HD2      PHE   8  -8.365  -4.489   5.945
   81    HD2  PHE   8           HD1      PHE   8  -5.857  -6.381   8.805
   82    HE1  PHE   8           HE2      PHE   8 -10.114  -6.165   6.372
   83    HE2  PHE   8           HE1      PHE   8  -7.600  -8.052   9.238
   84    HZ   PHE   8           HZ       PHE   8  -9.734  -7.947   8.023
   85    H    ALA   9           HN       ALA   9  -4.357  -2.100   4.496
   86    HA   ALA   9           HA       ALA   9  -1.678  -3.140   5.131
   87    HB1  ALA   9           HB1      ALA   9  -2.377  -1.367   2.803
   88    HB2  ALA   9           HB2      ALA   9  -2.068  -3.100   2.708
   89    HB3  ALA   9           HB3      ALA   9  -0.780  -1.999   3.203
   90    H    ILE  10           HN       ILE  10  -0.153  -1.712   5.884
   91    HA   ILE  10           HA       ILE  10  -1.208   0.878   6.815
   92    HB   ILE  10           HB       ILE  10   1.011  -0.594   8.221
   93   HG12  ILE  10          HG12      ILE  10  -1.932  -0.684   8.940
   94   HG13  ILE  10          HG11      ILE  10  -1.016  -2.029   8.265
   95   HG21  ILE  10          HG21      ILE  10   0.851   1.784   8.641
   96   HG22  ILE  10          HG22      ILE  10   0.370   0.889  10.083
   97   HG23  ILE  10          HG23      ILE  10  -0.857   1.624   9.051
   98   HD11  ILE  10          HD11      ILE  10  -0.522  -0.711  10.927
   99   HD12  ILE  10          HD12      ILE  10   0.399  -2.056  10.254
  100   HD13  ILE  10          HD13      ILE  10  -1.304  -2.270  10.660
  101    H    LEU  11           HN       LEU  11  -0.164   2.450   5.590
  102    HA   LEU  11           HA       LEU  11   2.310   1.618   4.291
  103    HB2  LEU  11           HB2      LEU  11   0.289   3.654   3.336
  104    HB3  LEU  11           HB1      LEU  11   1.835   3.343   2.578
  105    HG   LEU  11           HG       LEU  11   0.305   2.233   1.224
  106   HD11  LEU  11          HD11      LEU  11   2.178   0.807   1.724
  107   HD12  LEU  11          HD12      LEU  11   0.717  -0.164   1.552
  108   HD13  LEU  11          HD13      LEU  11   1.364   0.183   3.157
  109   HD21  LEU  11          HD21      LEU  11  -1.649   2.396   2.638
  110   HD22  LEU  11          HD22      LEU  11  -1.009   1.150   3.711
  111   HD23  LEU  11          HD23      LEU  11  -1.460   0.743   2.054
  112    H    ARG  12           HN       ARG  12   4.008   2.620   5.097
  113    HA   ARG  12           HA       ARG  12   3.639   5.339   6.221
  114    HB2  ARG  12           HB2      ARG  12   5.172   2.956   7.244
  115    HB3  ARG  12           HB1      ARG  12   5.525   4.582   7.805
  116    HG2  ARG  12           HG2      ARG  12   2.835   3.247   8.003
  117    HG3  ARG  12           HG1      ARG  12   4.026   3.332   9.306
  118    HD2  ARG  12           HD2      ARG  12   3.962   5.812   9.108
  119    HD3  ARG  12           HD1      ARG  12   2.643   5.641   7.951
  120    HE   ARG  12           HE       ARG  12   1.715   4.277  10.078
  121   HH11  ARG  12          HH11      ARG  12   3.205   7.415   9.796
  122   HH12  ARG  12          HH12      ARG  12   2.284   8.127  11.075
  123   HH21  ARG  12          HH21      ARG  12   0.471   5.196  11.770
  124   HH22  ARG  12          HH22      ARG  12   0.731   6.856  12.215
  125    H    LEU  13           HN       LEU  13   5.112   6.909   5.714
  126    HA   LEU  13           HA       LEU  13   7.075   6.688   3.718
  127    HB2  LEU  13           HB2      LEU  13   6.293   8.682   5.776
  128    HB3  LEU  13           HB1      LEU  13   7.937   8.755   5.191
  129    HG   LEU  13           HG       LEU  13   6.666  10.356   4.020
  130   HD11  LEU  13          HD11      LEU  13   8.313   9.199   2.689
  131   HD12  LEU  13          HD12      LEU  13   6.930   9.661   1.698
  132   HD13  LEU  13          HD13      LEU  13   7.117   7.989   2.228
  133   HD21  LEU  13          HD21      LEU  13   4.707   8.196   3.287
  134   HD22  LEU  13          HD22      LEU  13   4.698   9.834   2.641
  135   HD23  LEU  13          HD23      LEU  13   4.405   9.565   4.358
  136    H    ALA  14           HN       ALA  14   9.087   6.269   3.957
  137    HA   ALA  14           HA       ALA  14  10.101   4.686   5.992
  138    HB1  ALA  14           HB1      ALA  14  11.037   4.744   3.715
  139    HB2  ALA  14           HB2      ALA  14  12.285   4.918   4.947
  140    HB3  ALA  14           HB3      ALA  14  11.729   6.332   4.051
  141    H    ASP  15           HN       ASP  15  10.267   8.177   5.602
  142    HA   ASP  15           HA       ASP  15  11.983   8.802   7.650
  143    HB2  ASP  15           HB2      ASP  15   9.480  10.354   6.923
  144    HB3  ASP  15           HB1      ASP  15  10.878  10.991   7.790
  145    H    GLY  16           HN       GLY  16   8.926   7.332   7.979
  146    HA2  GLY  16           HA2      GLY  16   7.918   6.808  10.032
  147    HA3  GLY  16           HA1      GLY  16   8.696   8.224  10.755
  148    H    SER  17           HN       SER  17   7.393   8.776   7.726
  149    HA   SER  17           HA       SER  17   5.169  10.301   8.877
  150    HB2  SER  17           HB2      SER  17   6.852  11.528   7.473
  151    HB3  SER  17           HB1      SER  17   6.391  10.506   6.107
  152    HG   SER  17           HG       SER  17   5.243  12.748   6.960
  153    H    GLN  18           HN       GLN  18   3.740  10.436   6.371
  154    HA   GLN  18           HA       GLN  18   2.775   7.656   6.153
  155    HB2  GLN  18           HB2      GLN  18   1.537   9.752   7.564
  156    HB3  GLN  18           HB1      GLN  18   0.633   9.498   6.070
  157    HG2  GLN  18           HG2      GLN  18   0.041   7.342   6.686
  158    HG3  GLN  18           HG1      GLN  18   1.352   7.210   7.860
  159   HE21  GLN  18          HE21      GLN  18  -0.536  10.097   7.708
  160   HE22  GLN  18          HE22      GLN  18  -1.410   9.850   9.192
  161    HA   PRO  19           HA       PRO  19   1.245   9.109   2.182
  162    HB2  PRO  19           HB2      PRO  19   0.505   6.621   1.363
  163    HB3  PRO  19           HB1      PRO  19   2.113   7.276   1.032
  164    HG2  PRO  19           HG2      PRO  19   1.259   5.282   3.057
  165    HG3  PRO  19           HG1      PRO  19   2.788   5.407   2.172
  166    HD2  PRO  19           HD2      PRO  19   2.387   6.207   4.799
  167    HD3  PRO  19           HD1      PRO  19   3.712   6.753   3.754
  168    HA   PRO  20           HA       PRO  20  -1.955   8.638   5.202
  169    HB2  PRO  20           HB2      PRO  20  -2.551  11.193   5.362
  170    HB3  PRO  20           HB1      PRO  20  -0.907  10.675   5.705
  171    HG2  PRO  20           HG2      PRO  20  -2.004  12.037   3.296
  172    HG3  PRO  20           HG1      PRO  20  -0.419  12.208   4.072
  173    HD2  PRO  20           HD2      PRO  20  -1.120  10.527   1.875
  174    HD3  PRO  20           HD1      PRO  20   0.453  10.635   2.701
  175    H    PHE  21           HN       PHE  21  -4.275  10.259   5.115
  176    HA   PHE  21           HA       PHE  21  -5.991   8.468   3.881
  177    HB2  PHE  21           HB2      PHE  21  -6.399  10.227   5.682
  178    HB3  PHE  21           HB1      PHE  21  -6.648  11.312   4.349
  179    HD1  PHE  21           HD2      PHE  21  -8.201   9.700   2.458
  180    HD2  PHE  21           HD1      PHE  21  -8.434   9.974   6.696
  181    HE1  PHE  21           HE2      PHE  21 -10.560   9.015   2.373
  182    HE2  PHE  21           HE1      PHE  21 -10.797   9.293   6.616
  183    HZ   PHE  21           HZ       PHE  21 -11.862   8.816   4.451
  184    H    GLY  22           HN       GLY  22  -5.810   7.998   1.735
  185    HA2  GLY  22           HA2      GLY  22  -7.041   8.640  -0.326
  186    HA3  GLY  22           HA1      GLY  22  -6.248  10.189  -0.144
  187    H    ALA  23           HN       ALA  23  -4.024   8.233   0.995
  188    HA   ALA  23           HA       ALA  23  -2.399   8.164  -1.157
  189    HB1  ALA  23           HB1      ALA  23  -1.678   7.781   1.164
  190    HB2  ALA  23           HB2      ALA  23  -1.006   6.603   0.039
  191    HB3  ALA  23           HB3      ALA  23  -2.353   6.155   1.082
  192    H    SER  24           HN       SER  24  -3.455   7.559  -2.915
  193    HA   SER  24           HA       SER  24  -4.513   5.059  -3.523
  194    HB2  SER  24           HB2      SER  24  -3.361   7.354  -5.037
  195    HB3  SER  24           HB1      SER  24  -3.558   5.840  -5.918
  196    HG   SER  24           HG       SER  24  -5.472   7.601  -4.883
  197    H    VAL  25           HN       VAL  25  -3.444   3.179  -3.244
  198    HA   VAL  25           HA       VAL  25  -0.625   3.092  -4.036
  199    HB   VAL  25           HB       VAL  25  -0.348   1.049  -2.746
  200   HG11  VAL  25          HG11      VAL  25  -0.445   2.002  -0.515
  201   HG12  VAL  25          HG12      VAL  25  -1.582   3.234  -1.067
  202   HG13  VAL  25          HG13      VAL  25   0.072   3.226  -1.672
  203   HG21  VAL  25          HG21      VAL  25  -2.614   0.175  -2.865
  204   HG22  VAL  25          HG22      VAL  25  -3.180   1.476  -1.816
  205   HG23  VAL  25          HG23      VAL  25  -2.054   0.269  -1.196
  206    H    THR  26           HN       THR  26  -0.292   2.372  -5.941
  207    HA   THR  26           HA       THR  26  -1.670   0.042  -6.966
  208    HB   THR  26           HB       THR  26  -3.279   1.261  -8.036
  209    HG1  THR  26           HG1      THR  26  -2.451   1.948 -10.174
  210   HG21  THR  26          HG21      THR  26  -1.396   3.618  -8.226
  211   HG22  THR  26          HG22      THR  26  -2.658   3.407  -7.014
  212   HG23  THR  26          HG23      THR  26  -3.092   3.607  -8.711
  213    H    SER  27           HN       SER  27  -0.278  -1.026  -8.433
  214    HA   SER  27           HA       SER  27   2.467  -0.162  -8.135
  215    HB2  SER  27           HB2      SER  27   3.103  -2.204  -9.013
  216    HB3  SER  27           HB1      SER  27   1.564  -2.611  -8.251
  217    HG   SER  27           HG       SER  27   1.988  -3.314 -10.546
  218    H    GLU  28           HN       GLU  28   3.851   0.031 -10.200
  219    HA   GLU  28           HA       GLU  28   2.758   1.981 -11.819
  220    HB2  GLU  28           HB2      GLU  28   4.793   1.559 -13.308
  221    HB3  GLU  28           HB1      GLU  28   5.073   2.030 -11.641
  222    HG2  GLU  28           HG2      GLU  28   5.570  -0.253 -11.038
  223    HG3  GLU  28           HG1      GLU  28   5.173  -0.796 -12.667
  224    H    LYS  29           HN       LYS  29   2.124  -1.290 -12.047
  225    HA   LYS  29           HA       LYS  29   1.433  -1.120 -14.892
  226    HB2  LYS  29           HB2      LYS  29   2.484  -3.214 -13.982
  227    HB3  LYS  29           HB1      LYS  29   1.042  -3.454 -13.004
  228    HG2  LYS  29           HG2      LYS  29   1.029  -4.809 -15.052
  229    HG3  LYS  29           HG1      LYS  29  -0.317  -3.666 -14.994
  230    HD2  LYS  29           HD2      LYS  29   1.019  -2.116 -16.412
  231    HD3  LYS  29           HD1      LYS  29   2.246  -3.375 -16.559
  232    HE2  LYS  29           HE2      LYS  29   0.676  -4.840 -17.652
  233    HE3  LYS  29           HE1      LYS  29  -0.634  -3.683 -17.397
  234    HZ1  LYS  29           HZ1      LYS  29   0.191  -3.522 -19.639
  235    HZ2  LYS  29           HZ2      LYS  29   1.775  -3.270 -19.090
  236    HZ3  LYS  29           HZ3      LYS  29   0.579  -2.100 -18.798
  237    H    GLY  30           HN       GLY  30   0.054  -0.908 -11.725
  238    HA2  GLY  30           HA2      GLY  30  -1.902   0.551 -11.520
  239    HA3  GLY  30           HA1      GLY  30  -2.532  -0.280 -12.931
  240    H    ARG  31           HN       ARG  31  -0.667  -1.664 -10.341
  241    HA   ARG  31           HA       ARG  31  -2.708  -3.643  -9.932
  242    HB2  ARG  31           HB2      ARG  31  -0.201  -4.183  -9.788
  243    HB3  ARG  31           HB1      ARG  31  -0.211  -3.260  -8.291
  244    HG2  ARG  31           HG2      ARG  31  -0.376  -5.662  -7.874
  245    HG3  ARG  31           HG1      ARG  31  -1.796  -4.791  -7.298
  246    HD2  ARG  31           HD2      ARG  31  -3.040  -5.476  -9.279
  247    HD3  ARG  31           HD1      ARG  31  -1.614  -6.307  -9.902
  248    HE   ARG  31           HE       ARG  31  -2.104  -7.369  -7.394
  249   HH11  ARG  31          HH11      ARG  31  -3.833  -7.140 -10.430
  250   HH12  ARG  31          HH12      ARG  31  -4.630  -8.671 -10.236
  251   HH21  ARG  31          HH21      ARG  31  -3.181  -9.378  -7.122
  252   HH22  ARG  31          HH22      ARG  31  -4.305  -9.918  -8.342
  253    H    GLU  32           HN       GLU  32  -4.429  -2.612  -8.953
  254    HA   GLU  32           HA       GLU  32  -3.798  -0.365  -7.228
  255    HB2  GLU  32           HB2      GLU  32  -6.486  -1.139  -8.343
  256    HB3  GLU  32           HB1      GLU  32  -6.077   0.354  -7.509
  257    HG2  GLU  32           HG2      GLU  32  -4.440   0.802  -9.393
  258    HG3  GLU  32           HG1      GLU  32  -5.207  -0.543 -10.236
  259    H    LEU  33           HN       LEU  33  -3.419  -1.100  -5.265
  260    HA   LEU  33           HA       LEU  33  -4.864  -3.467  -4.296
  261    HB2  LEU  33           HB2      LEU  33  -2.482  -1.966  -3.223
  262    HB3  LEU  33           HB1      LEU  33  -3.341  -3.184  -2.298
  263    HG   LEU  33           HG       LEU  33  -1.753  -4.539  -3.167
  264   HD11  LEU  33          HD11      LEU  33  -3.606  -4.358  -5.531
  265   HD12  LEU  33          HD12      LEU  33  -3.833  -5.369  -4.104
  266   HD13  LEU  33          HD13      LEU  33  -2.483  -5.674  -5.196
  267   HD21  LEU  33          HD21      LEU  33  -0.580  -4.173  -5.276
  268   HD22  LEU  33          HD22      LEU  33  -0.495  -2.760  -4.222
  269   HD23  LEU  33          HD23      LEU  33  -1.602  -2.772  -5.595
  270    H    GLY  34           HN       GLY  34  -4.550   0.076  -3.778
  271    HA2  GLY  34           HA2      GLY  34  -7.093   0.375  -2.886
  272    HA3  GLY  34           HA1      GLY  34  -6.262  -0.085  -1.411
  273    H    MET  35           HN       MET  35  -7.009   1.938  -0.584
  274    HA   MET  35           HA       MET  35  -5.163   4.187  -1.028
  275    HB2  MET  35           HB2      MET  35  -8.164   4.556  -1.155
  276    HB3  MET  35           HB1      MET  35  -6.922   5.797  -1.345
  277    HG2  MET  35           HG2      MET  35  -6.373   5.147  -3.433
  278    HG3  MET  35           HG1      MET  35  -6.810   3.457  -3.104
  279    HE1  MET  35           HE1      MET  35 -10.710   3.545  -3.439
  280    HE2  MET  35           HE2      MET  35  -9.749   3.696  -1.967
  281    HE3  MET  35           HE3      MET  35  -9.284   2.534  -3.209
  282    H    VAL  36           HN       VAL  36  -4.849   5.392   0.805
  283    HA   VAL  36           HA       VAL  36  -5.636   4.168   3.278
  284    HB   VAL  36           HB       VAL  36  -4.443   6.908   2.768
  285   HG11  VAL  36          HG11      VAL  36  -5.003   5.514   5.384
  286   HG12  VAL  36          HG12      VAL  36  -5.756   6.997   4.793
  287   HG13  VAL  36          HG13      VAL  36  -4.039   6.982   5.197
  288   HG21  VAL  36          HG21      VAL  36  -2.956   4.974   2.333
  289   HG22  VAL  36          HG22      VAL  36  -3.208   4.440   3.993
  290   HG23  VAL  36          HG23      VAL  36  -2.405   5.983   3.675
  291    H    ALA  37           HN       ALA  37  -7.390   4.550   4.561
  292    HA   ALA  37           HA       ALA  37  -8.916   6.960   3.977
  293    HB1  ALA  37           HB1      ALA  37 -11.057   5.837   4.090
  294    HB2  ALA  37           HB2      ALA  37 -10.253   4.277   4.280
  295    HB3  ALA  37           HB3      ALA  37 -10.087   5.178   2.774
  296    H    ASP  38           HN       ASP  38  -7.154   6.789   5.891
  297    HA   ASP  38           HA       ASP  38  -8.122   8.035   8.011
  298    HB2  ASP  38           HB2      ASP  38  -9.502   5.779   8.324
  299    HB3  ASP  38           HB1      ASP  38  -7.993   5.207   9.027
  300    H    GLU  39           HN       GLU  39  -6.340   8.730   9.040
  301    HA   GLU  39           HA       GLU  39  -4.097   9.079   9.293
  302    HB2  GLU  39           HB2      GLU  39  -4.226   6.170  10.115
  303    HB3  GLU  39           HB1      GLU  39  -2.977   7.326  10.573
  304    HG2  GLU  39           HG2      GLU  39  -4.907   8.671  11.603
  305    HG3  GLU  39           HG1      GLU  39  -5.824   7.175  11.462
  306    H    GLY  40           HN       GLY  40  -3.276   5.779   8.764
  307    HA2  GLY  40           HA2      GLY  40  -2.282   6.343   6.066
  308    HA3  GLY  40           HA1      GLY  40  -1.125   5.801   7.282
  309    H    LEU  41           HN       LEU  41  -4.437   4.750   7.174
  310    HA   LEU  41           HA       LEU  41  -3.504   2.005   6.680
  311    HB2  LEU  41           HB2      LEU  41  -4.840   2.745   8.801
  312    HB3  LEU  41           HB1      LEU  41  -6.211   2.746   7.709
  313    HG   LEU  41           HG       LEU  41  -5.657   0.334   7.178
  314   HD11  LEU  41          HD11      LEU  41  -4.313  -0.869   8.826
  315   HD12  LEU  41          HD12      LEU  41  -3.911   0.660   9.612
  316   HD13  LEU  41          HD13      LEU  41  -3.357   0.340   7.969
  317   HD21  LEU  41          HD21      LEU  41  -6.427   1.074  10.001
  318   HD22  LEU  41          HD22      LEU  41  -6.704  -0.496   9.247
  319   HD23  LEU  41          HD23      LEU  41  -7.513   0.940   8.618
  320    H    ALA  42           HN       ALA  42  -3.915   1.266   4.677
  321    HA   ALA  42           HA       ALA  42  -6.168   2.449   3.216
  322    HB1  ALA  42           HB1      ALA  42  -3.926   2.847   2.095
  323    HB2  ALA  42           HB2      ALA  42  -5.153   2.054   1.091
  324    HB3  ALA  42           HB3      ALA  42  -3.847   1.104   1.835
  325    H    TRP  43           HN       TRP  43  -7.761   1.087   2.816
  326    HA   TRP  43           HA       TRP  43  -7.648  -1.612   3.797
  327    HB2  TRP  43           HB2      TRP  43  -9.735  -0.003   2.400
  328    HB3  TRP  43           HB1      TRP  43  -9.976  -1.688   2.869
  329    HD1  TRP  43           HD1      TRP  43  -9.196   1.721   4.490
  330    HE1  TRP  43           HE1      TRP  43  -9.533   1.454   7.023
  331    HE3  TRP  43           HE3      TRP  43 -10.356  -3.237   4.621
  332    HZ2  TRP  43           HZ2      TRP  43 -10.133  -0.599   8.745
  333    HZ3  TRP  43           HZ3      TRP  43 -10.832  -4.280   6.793
  334    HH2  TRP  43           HH2      TRP  43 -10.746  -2.961   8.850
  335    H    LEU  44           HN       LEU  44  -6.406  -2.948   2.332
  336    HA   LEU  44           HA       LEU  44  -6.472  -2.086  -0.453
  337    HB2  LEU  44           HB2      LEU  44  -4.521  -3.979   0.856
  338    HB3  LEU  44           HB1      LEU  44  -4.494  -3.452  -0.823
  339    HG   LEU  44           HG       LEU  44  -3.742  -1.946   1.649
  340   HD11  LEU  44          HD11      LEU  44  -1.809  -1.351   0.327
  341   HD12  LEU  44          HD12      LEU  44  -2.504  -2.136  -1.089
  342   HD13  LEU  44          HD13      LEU  44  -2.030  -3.102   0.312
  343   HD21  LEU  44          HD21      LEU  44  -3.784   0.138   0.412
  344   HD22  LEU  44          HD22      LEU  44  -5.403  -0.547   0.553
  345   HD23  LEU  44          HD23      LEU  44  -4.517  -0.682  -0.966
  346    H    SER  45           HN       SER  45  -5.992  -4.320  -1.749
  347    HA   SER  45           HA       SER  45  -7.884  -6.275  -0.938
  348    HB2  SER  45           HB2      SER  45  -8.272  -4.820  -3.565
  349    HB3  SER  45           HB1      SER  45  -9.195  -6.223  -3.015
  350    HG   SER  45           HG       SER  45  -9.054  -3.824  -1.521
  351    H    GLY  46           HN       GLY  46  -6.014  -7.503  -0.772
  352    HA2  GLY  46           HA2      GLY  46  -4.678  -9.145  -1.660
  353    HA3  GLY  46           HA1      GLY  46  -5.441  -8.891  -3.214
  354    H    VAL  47           HN       VAL  47  -2.786  -7.934  -1.112
  355    HA   VAL  47           HA       VAL  47  -1.489  -6.470  -3.292
  356    HB   VAL  47           HB       VAL  47  -0.259  -7.032  -0.602
  357   HG11  VAL  47          HG11      VAL  47   1.022  -5.006  -1.097
  358   HG12  VAL  47          HG12      VAL  47   0.166  -4.844  -2.631
  359   HG13  VAL  47          HG13      VAL  47   1.222  -6.229  -2.353
  360   HG21  VAL  47          HG21      VAL  47  -1.086  -4.878   0.191
  361   HG22  VAL  47          HG22      VAL  47  -2.413  -5.982  -0.170
  362   HG23  VAL  47          HG23      VAL  47  -2.014  -4.685  -1.297
  363    H    THR  48           HN       THR  48   0.337  -7.357  -4.340
  364    HA   THR  48           HA       THR  48   0.573 -10.269  -4.027
  365    HB   THR  48           HB       THR  48   2.026  -8.742  -6.146
  366    HG1  THR  48           HG1      THR  48   0.072  -7.899  -6.549
  367   HG21  THR  48          HG21      THR  48   0.658 -11.439  -6.090
  368   HG22  THR  48          HG22      THR  48   2.390 -11.149  -5.919
  369   HG23  THR  48          HG23      THR  48   1.578 -10.782  -7.442
  370    HA   PRO  49           HA       PRO  49   4.312  -9.449  -1.691
  371    HB2  PRO  49           HB2      PRO  49   5.296 -12.006  -1.801
  372    HB3  PRO  49           HB1      PRO  49   4.055 -11.475  -0.662
  373    HG2  PRO  49           HG2      PRO  49   3.748 -12.941  -3.252
  374    HG3  PRO  49           HG1      PRO  49   2.911 -13.203  -1.704
  375    HD2  PRO  49           HD2      PRO  49   1.750 -11.889  -3.750
  376    HD3  PRO  49           HD1      PRO  49   1.449 -11.449  -2.057
  377    H    GLY  50           HN       GLY  50   5.871  -8.302  -2.753
  378    HA2  GLY  50           HA2      GLY  50   8.051  -8.563  -3.819
  379    HA3  GLY  50           HA1      GLY  50   7.338  -9.790  -4.862
  380    H    GLU  51           HN       GLU  51   6.298  -6.435  -4.060
  381    HA   GLU  51           HA       GLU  51   6.107  -6.051  -6.959
  382    HB2  GLU  51           HB2      GLU  51   3.961  -5.196  -5.023
  383    HB3  GLU  51           HB1      GLU  51   4.071  -4.670  -6.694
  384    HG2  GLU  51           HG2      GLU  51   3.998  -7.166  -7.254
  385    HG3  GLU  51           HG1      GLU  51   3.444  -7.339  -5.594
  386    H    THR  52           HN       THR  52   5.548  -3.659  -7.353
  387    HA   THR  52           HA       THR  52   6.743  -2.035  -5.313
  388    HB   THR  52           HB       THR  52   8.566  -2.130  -6.852
  389    HG1  THR  52           HG1      THR  52   8.048   0.239  -7.859
  390   HG21  THR  52          HG21      THR  52   8.376  -1.572  -9.222
  391   HG22  THR  52          HG22      THR  52   6.635  -1.358  -9.039
  392   HG23  THR  52          HG23      THR  52   7.354  -2.951  -8.814
  393    H    LEU  53           HN       LEU  53   4.905  -1.287  -4.617
  394    HA   LEU  53           HA       LEU  53   2.611  -0.492  -6.079
  395    HB2  LEU  53           HB2      LEU  53   3.662  -0.245  -3.325
  396    HB3  LEU  53           HB1      LEU  53   2.485   0.959  -3.828
  397    HG   LEU  53           HG       LEU  53   2.026  -2.001  -3.939
  398   HD11  LEU  53          HD11      LEU  53   1.045   0.034  -1.943
  399   HD12  LEU  53          HD12      LEU  53   2.231  -1.233  -1.625
  400   HD13  LEU  53          HD13      LEU  53   0.565  -1.661  -2.011
  401   HD21  LEU  53          HD21      LEU  53  -0.310  -1.281  -4.283
  402   HD22  LEU  53          HD22      LEU  53   0.765  -0.733  -5.572
  403   HD23  LEU  53          HD23      LEU  53   0.245   0.397  -4.318
  404    H    SER  54           HN       SER  54   1.957   1.627  -6.678
  405    HA   SER  54           HA       SER  54   3.832   3.732  -6.020
  406    HB2  SER  54           HB2      SER  54   1.848   3.649  -8.286
  407    HB3  SER  54           HB1      SER  54   3.044   4.922  -8.001
  408    HG   SER  54           HG       SER  54   4.321   2.601  -8.036
  409    H    VAL  55           HN       VAL  55   3.241   5.387  -4.735
  410    HA   VAL  55           HA       VAL  55   0.454   5.208  -3.802
  411    HB   VAL  55           HB       VAL  55   2.784   6.150  -2.168
  412   HG11  VAL  55          HG11      VAL  55   1.292   5.718  -0.284
  413   HG12  VAL  55          HG12      VAL  55   0.030   5.214  -1.409
  414   HG13  VAL  55          HG13      VAL  55   0.595   6.885  -1.409
  415   HG21  VAL  55          HG21      VAL  55   3.346   3.920  -2.678
  416   HG22  VAL  55          HG22      VAL  55   1.683   3.378  -2.468
  417   HG23  VAL  55          HG23      VAL  55   2.627   3.885  -1.067
  418    H    ASN  56           HN       ASN  56  -0.741   6.883  -4.224
  419    HA   ASN  56           HA       ASN  56   0.493   9.481  -4.808
  420    HB2  ASN  56           HB2      ASN  56  -0.317   8.702  -6.817
  421    HB3  ASN  56           HB1      ASN  56  -1.601   7.772  -6.064
  422   HD21  ASN  56          HD21      ASN  56  -3.516   8.752  -5.554
  423   HD22  ASN  56          HD22      ASN  56  -3.970  10.293  -6.196
  424    H    TRP  57           HN       TRP  57  -0.156  11.153  -3.350
  425    HA   TRP  57           HA       TRP  57  -3.042  11.183  -2.946
  426    HB2  TRP  57           HB2      TRP  57  -2.893  11.479  -0.640
  427    HB3  TRP  57           HB1      TRP  57  -1.775  10.191  -1.053
  428    HD1  TRP  57           HD1      TRP  57  -1.848  13.826   0.020
  429    HE1  TRP  57           HE1      TRP  57   0.343  14.430   1.195
  430    HE3  TRP  57           HE3      TRP  57   0.708   9.455  -0.705
  431    HZ2  TRP  57           HZ2      TRP  57   2.737  13.248   1.726
  432    HZ3  TRP  57           HZ3      TRP  57   2.983   9.324   0.255
  433    HH2  TRP  57           HH2      TRP  57   3.980  11.171   1.437
  434    H    ASP  58           HN       ASP  58  -2.868  13.614  -1.178
  435    HA   ASP  58           HA       ASP  58  -3.037  15.820  -2.560
  436    HB2  ASP  58           HB2      ASP  58  -1.245  15.453  -0.160
  437    HB3  ASP  58           HB1      ASP  58  -1.569  17.032  -0.854
  438    H    GLY  59           HN       GLY  59   0.311  14.801  -1.586
  439    HA2  GLY  59           HA2      GLY  59   1.386  16.473  -3.742
  440    HA3  GLY  59           HA1      GLY  59   2.315  15.452  -2.637
  441    H    LYS  60           HN       LYS  60  -0.215  13.768  -3.776
  442    HA   LYS  60           HA       LYS  60  -0.568  12.106  -5.191
  443    HB2  LYS  60           HB2      LYS  60   1.221  13.788  -6.870
  444    HB3  LYS  60           HB1      LYS  60   0.311  12.400  -7.483
  445    HG2  LYS  60           HG2      LYS  60  -1.645  13.662  -6.147
  446    HG3  LYS  60           HG1      LYS  60  -0.634  15.053  -6.612
  447    HD2  LYS  60           HD2      LYS  60  -0.736  14.476  -8.939
  448    HD3  LYS  60           HD1      LYS  60  -1.559  12.958  -8.579
  449    HE2  LYS  60           HE2      LYS  60  -2.705  15.651  -7.900
  450    HE3  LYS  60           HE1      LYS  60  -3.006  14.844  -9.435
  451    HZ1  LYS  60           HZ1      LYS  60  -4.004  13.003  -8.262
  452    HZ2  LYS  60           HZ2      LYS  60  -4.772  14.446  -7.813
  453    HZ3  LYS  60           HZ3      LYS  60  -3.663  13.717  -6.765
  454    H    ILE  61           HN       ILE  61   2.054  11.641  -6.973
  455    HA   ILE  61           HA       ILE  61   2.278   9.134  -5.538
  456    HB   ILE  61           HB       ILE  61   2.137   9.576  -8.385
  457   HG12  ILE  61          HG12      ILE  61   2.738   6.952  -7.060
  458   HG13  ILE  61          HG11      ILE  61   1.167   7.711  -6.836
  459   HG21  ILE  61          HG21      ILE  61   4.693   8.251  -7.490
  460   HG22  ILE  61          HG22      ILE  61   4.564   9.759  -8.396
  461   HG23  ILE  61          HG23      ILE  61   4.049   8.241  -9.133
  462   HD11  ILE  61          HD11      ILE  61   1.116   6.066  -8.616
  463   HD12  ILE  61          HD12      ILE  61   2.404   6.918  -9.467
  464   HD13  ILE  61          HD13      ILE  61   0.827   7.681  -9.260
  465    H    GLN  62           HN       GLN  62   3.750   9.405  -4.084
  466    HA   GLN  62           HA       GLN  62   5.997  11.094  -4.827
  467    HB2  GLN  62           HB2      GLN  62   5.475  11.329  -1.995
  468    HB3  GLN  62           HB1      GLN  62   5.816  12.525  -3.230
  469    HG2  GLN  62           HG2      GLN  62   3.456  12.552  -3.863
  470    HG3  GLN  62           HG1      GLN  62   3.105  11.522  -2.456
  471   HE21  GLN  62          HE21      GLN  62   1.871  13.252  -1.511
  472   HE22  GLN  62          HE22      GLN  62   2.673  14.610  -0.771
  473    H    CYS  63           HN       CYS  63   4.740   8.606  -2.805
  474    HA   CYS  63           HA       CYS  63   7.436   7.479  -2.690
  475    HB2  CYS  63           HB2      CYS  63   7.076   6.530  -0.566
  476    HB3  CYS  63           HB1      CYS  63   6.658   8.237  -0.430
  477    H    GLN  64           HN       GLN  64   7.300   5.088  -2.502
  478    HA   GLN  64           HA       GLN  64   4.955   4.096  -3.847
  479    HB2  GLN  64           HB2      GLN  64   7.764   3.674  -4.853
  480    HB3  GLN  64           HB1      GLN  64   6.384   2.693  -5.342
  481    HG2  GLN  64           HG2      GLN  64   5.255   4.756  -6.085
  482    HG3  GLN  64           HG1      GLN  64   6.746   5.618  -5.722
  483   HE21  GLN  64          HE21      GLN  64   6.715   2.392  -7.000
  484   HE22  GLN  64          HE22      GLN  64   7.330   2.775  -8.571
  485    H    VAL  65           HN       VAL  65   5.211   1.508  -3.699
  486    HA   VAL  65           HA       VAL  65   6.221   1.412  -1.051
  487    HB   VAL  65           HB       VAL  65   3.471   0.579  -1.762
  488   HG11  VAL  65          HG11      VAL  65   5.123  -0.864   0.317
  489   HG12  VAL  65          HG12      VAL  65   4.487  -1.572  -1.167
  490   HG13  VAL  65          HG13      VAL  65   3.381  -1.027   0.093
  491   HG21  VAL  65          HG21      VAL  65   3.880   2.548  -0.457
  492   HG22  VAL  65          HG22      VAL  65   4.842   1.616   0.688
  493   HG23  VAL  65          HG23      VAL  65   3.107   1.323   0.551
  494    H    ASN  66           HN       ASN  66   7.407  -0.325  -0.525
  495    HA   ASN  66           HA       ASN  66   7.893  -2.091  -2.789
  496    HB2  ASN  66           HB2      ASN  66   9.881  -0.993  -1.783
  497    HB3  ASN  66           HB1      ASN  66   9.522  -1.807  -0.257
  498   HD21  ASN  66          HD21      ASN  66  10.522  -2.251  -3.577
  499   HD22  ASN  66          HD22      ASN  66  11.248  -3.807  -3.346
  500    H    VAL  67           HN       VAL  67   6.912  -4.020  -2.798
  501    HA   VAL  67           HA       VAL  67   5.671  -4.905  -0.297
  502    HB   VAL  67           HB       VAL  67   4.964  -5.880  -3.037
  503   HG11  VAL  67          HG11      VAL  67   2.967  -6.738  -1.914
  504   HG12  VAL  67          HG12      VAL  67   3.574  -6.125  -0.375
  505   HG13  VAL  67          HG13      VAL  67   4.440  -7.411  -1.217
  506   HG21  VAL  67          HG21      VAL  67   3.595  -3.767  -1.381
  507   HG22  VAL  67          HG22      VAL  67   2.973  -4.459  -2.878
  508   HG23  VAL  67          HG23      VAL  67   4.456  -3.503  -2.895
  509    HA   PRO  68           HA       PRO  68   8.814  -8.068  -0.409
  510    HB2  PRO  68           HB2      PRO  68   8.080  -8.626   2.319
  511    HB3  PRO  68           HB1      PRO  68   9.531  -7.819   1.723
  512    HG2  PRO  68           HG2      PRO  68   7.571  -6.572   3.181
  513    HG3  PRO  68           HG1      PRO  68   8.659  -5.738   2.059
  514    HD2  PRO  68           HD2      PRO  68   5.836  -6.650   1.634
  515    HD3  PRO  68           HD1      PRO  68   6.619  -5.132   1.137
  516    H    GLU  69           HN       GLU  69   8.713 -10.416   0.623
  517    HA   GLU  69           HA       GLU  69   6.528 -11.656  -0.827
  518    HB2  GLU  69           HB2      GLU  69   8.852 -12.877   0.671
  519    HB3  GLU  69           HB1      GLU  69   7.705 -13.756  -0.329
  520    HG2  GLU  69           HG2      GLU  69   8.446 -12.538  -2.291
  521    HG3  GLU  69           HG1      GLU  69   9.572 -11.608  -1.301
  522    H    THR  70           HN       THR  70   7.145 -10.674   2.359
  523    HA   THR  70           HA       THR  70   5.581 -12.643   3.631
  524    HB   THR  70           HB       THR  70   7.351 -11.403   4.791
  525    HG1  THR  70           HG1      THR  70   4.737 -11.086   5.891
  526   HG21  THR  70          HG21      THR  70   5.468  -9.048   4.603
  527   HG22  THR  70          HG22      THR  70   7.028  -9.206   3.794
  528   HG23  THR  70          HG23      THR  70   6.954  -9.099   5.552
  529    H    ALA  71           HN       ALA  71   4.179 -11.104   1.458
  530    HA   ALA  71           HA       ALA  71   2.205  -9.411   2.723
  531    HB1  ALA  71           HB1      ALA  71   2.239 -10.622  -0.039
  532    HB2  ALA  71           HB2      ALA  71   2.839  -9.021   0.393
  533    HB3  ALA  71           HB3      ALA  71   1.120  -9.389   0.542
  534    H    ILE  72           HN       ILE  72  -0.171 -10.050   2.578
  535    HA   ILE  72           HA       ILE  72  -0.633 -12.825   2.877
  536    HB   ILE  72           HB       ILE  72   0.452 -12.173   5.070
  537   HG12  ILE  72          HG12      ILE  72  -2.372 -13.221   5.333
  538   HG13  ILE  72          HG11      ILE  72  -1.029 -14.183   4.723
  539   HG21  ILE  72          HG21      ILE  72  -0.946 -11.027   6.722
  540   HG22  ILE  72          HG22      ILE  72  -2.172 -10.747   5.485
  541   HG23  ILE  72          HG23      ILE  72  -0.587  -9.990   5.341
  542   HD11  ILE  72          HD11      ILE  72  -1.451 -14.665   7.049
  543   HD12  ILE  72          HD12      ILE  72  -1.242 -12.964   7.463
  544   HD13  ILE  72          HD13      ILE  72   0.126 -13.900   6.856
  545    H    SER  73           HN       SER  73  -2.952 -13.227   3.571
  546    HA   SER  73           HA       SER  73  -4.618 -11.264   2.192
  547    HB2  SER  73           HB2      SER  73  -4.615 -13.559   1.343
  548    HB3  SER  73           HB1      SER  73  -5.127 -14.159   2.920
  549    HG   SER  73           HG       SER  73  -7.096 -13.271   2.643
  550    H    ASP  74           HN       ASP  74  -6.597 -10.506   2.997
  551    HA   ASP  74           HA       ASP  74  -7.906  -9.574   4.642
  552    HB2  ASP  74           HB2      ASP  74  -7.876 -12.520   5.009
  553    HB3  ASP  74           HB1      ASP  74  -8.682 -11.566   6.247
  554    H    GLN  75           HN       GLN  75  -5.049  -9.404   5.460
  555    HA   GLN  75           HA       GLN  75  -5.543  -9.154   8.309
  556    HB2  GLN  75           HB2      GLN  75  -3.122 -10.598   7.215
  557    HB3  GLN  75           HB1      GLN  75  -3.274 -10.037   8.876
  558    HG2  GLN  75           HG2      GLN  75  -5.261 -11.480   9.146
  559    HG3  GLN  75           HG1      GLN  75  -5.015 -12.081   7.508
  560   HE21  GLN  75          HE21      GLN  75  -2.407 -11.361   9.739
  561   HE22  GLN  75          HE22      GLN  75  -1.904 -13.008   9.965
  562    H    GLN  76           HN       GLN  76  -3.375  -8.030   9.262
  563    HA   GLN  76           HA       GLN  76  -3.234  -5.579   7.659
  564    HB2  GLN  76           HB2      GLN  76  -2.483  -6.104  10.535
  565    HB3  GLN  76           HB1      GLN  76  -2.226  -4.576   9.709
  566    HG2  GLN  76           HG2      GLN  76  -4.716  -4.543   9.285
  567    HG3  GLN  76           HG1      GLN  76  -4.829  -5.883  10.425
  568   HE21  GLN  76          HE21      GLN  76  -5.907  -3.166  10.577
  569   HE22  GLN  76          HE22      GLN  76  -5.283  -2.494  12.055
  570    H    LEU  77           HN       LEU  77  -1.271  -4.705   7.042
  571    HA   LEU  77           HA       LEU  77   1.167  -6.036   7.730
  572    HB2  LEU  77           HB2      LEU  77   0.405  -7.451   5.860
  573    HB3  LEU  77           HB1      LEU  77   0.278  -6.030   4.843
  574    HG   LEU  77           HG       LEU  77   2.743  -5.692   5.123
  575   HD11  LEU  77          HD11      LEU  77   2.624  -8.444   6.349
  576   HD12  LEU  77          HD12      LEU  77   3.021  -6.952   7.202
  577   HD13  LEU  77          HD13      LEU  77   4.088  -7.552   5.932
  578   HD21  LEU  77          HD21      LEU  77   1.783  -6.762   3.137
  579   HD22  LEU  77          HD22      LEU  77   1.903  -8.331   3.934
  580   HD23  LEU  77          HD23      LEU  77   3.364  -7.429   3.542
  581    H    LEU  78           HN       LEU  78   2.636  -4.424   7.919
  582    HA   LEU  78           HA       LEU  78   1.777  -1.872   6.832
  583    HB2  LEU  78           HB2      LEU  78   3.389  -0.757   8.278
  584    HB3  LEU  78           HB1      LEU  78   2.273  -1.729   9.208
  585    HG   LEU  78           HG       LEU  78   4.379  -1.907  10.253
  586   HD11  LEU  78          HD11      LEU  78   3.982  -4.408   8.632
  587   HD12  LEU  78          HD12      LEU  78   3.225  -4.020  10.177
  588   HD13  LEU  78          HD13      LEU  78   4.969  -4.273  10.087
  589   HD21  LEU  78          HD21      LEU  78   5.582  -2.582   7.579
  590   HD22  LEU  78          HD22      LEU  78   6.437  -2.611   9.120
  591   HD23  LEU  78          HD23      LEU  78   5.806  -1.089   8.490
  592    H    LEU  79           HN       LEU  79   3.258  -0.661   5.521
  593    HA   LEU  79           HA       LEU  79   5.266  -2.344   4.248
  594    HB2  LEU  79           HB2      LEU  79   2.988  -1.015   2.790
  595    HB3  LEU  79           HB1      LEU  79   4.404  -1.681   2.000
  596    HG   LEU  79           HG       LEU  79   2.411  -3.264   3.628
  597   HD11  LEU  79          HD11      LEU  79   1.459  -2.496   1.526
  598   HD12  LEU  79          HD12      LEU  79   1.765  -4.233   1.476
  599   HD13  LEU  79          HD13      LEU  79   2.857  -3.122   0.651
  600   HD21  LEU  79          HD21      LEU  79   3.601  -5.213   2.755
  601   HD22  LEU  79          HD22      LEU  79   4.653  -4.202   3.744
  602   HD23  LEU  79          HD23      LEU  79   4.777  -4.151   1.985
  603    HA   PRO  80           HA       PRO  80   7.579   1.384   4.108
  604    HB2  PRO  80           HB2      PRO  80   9.455   0.689   2.299
  605    HB3  PRO  80           HB1      PRO  80   9.395  -0.008   3.923
  606    HG2  PRO  80           HG2      PRO  80   8.452  -1.152   1.329
  607    HG3  PRO  80           HG1      PRO  80   9.294  -1.954   2.674
  608    HD2  PRO  80           HD2      PRO  80   6.590  -2.115   2.256
  609    HD3  PRO  80           HD1      PRO  80   7.360  -2.289   3.843
  610    H    CYS  81           HN       CYS  81   6.633   3.060   3.325
  611    HA   CYS  81           HA       CYS  81   6.187   3.474   0.445
  612    HB2  CYS  81           HB2      CYS  81   4.319   4.351   1.408
  613    HB3  CYS  81           HB1      CYS  81   5.082   4.486   2.982
  614    H    THR  82           HN       THR  82   8.188   3.609  -0.292
  615    HA   THR  82           HA       THR  82  10.101   5.413   0.955
  616    HB   THR  82           HB       THR  82  10.499   3.556  -1.400
  617    HG1  THR  82           HG1      THR  82  11.307   2.085   0.159
  618   HG21  THR  82          HG21      THR  82  12.207   5.304  -1.181
  619   HG22  THR  82          HG22      THR  82  12.873   3.715  -0.803
  620   HG23  THR  82          HG23      THR  82  12.472   4.836   0.498
  621    HA   PRO  83           HA       PRO  83   9.108   8.652  -1.971
  622    HB2  PRO  83           HB2      PRO  83  11.770   9.664  -1.148
  623    HB3  PRO  83           HB1      PRO  83  10.195  10.463  -1.086
  624    HG2  PRO  83           HG2      PRO  83  11.386   9.594   1.139
  625    HG3  PRO  83           HG1      PRO  83   9.629   9.478   0.930
  626    HD2  PRO  83           HD2      PRO  83  11.713   7.350   0.659
  627    HD3  PRO  83           HD1      PRO  83  10.097   7.256   1.391
  628    H    GLN  84           HN       GLN  84   9.827   9.310  -4.007
  629    HA   GLN  84           HA       GLN  84  11.411   7.398  -5.442
  630    HB2  GLN  84           HB2      GLN  84  10.264  10.078  -6.255
  631    HB3  GLN  84           HB1      GLN  84  11.063   8.956  -7.358
  632    HG2  GLN  84           HG2      GLN  84   9.356   7.313  -7.019
  633    HG3  GLN  84           HG1      GLN  84   8.609   8.285  -5.751
  634   HE21  GLN  84          HE21      GLN  84   7.434  10.098  -6.298
  635   HE22  GLN  84          HE22      GLN  84   6.876  10.383  -7.917
  636    H    LYS  85           HN       LYS  85  11.994  10.395  -3.839
  637    HA   LYS  85           HA       LYS  85  14.711  10.488  -4.952
  638    HB2  LYS  85           HB2      LYS  85  12.831  12.686  -4.256
  639    HB3  LYS  85           HB1      LYS  85  14.526  12.928  -3.857
  640    HG2  LYS  85           HG2      LYS  85  13.935  13.867  -6.045
  641    HG3  LYS  85           HG1      LYS  85  15.160  12.604  -6.168
  642    HD2  LYS  85           HD2      LYS  85  13.364  10.997  -6.767
  643    HD3  LYS  85           HD1      LYS  85  12.217  12.338  -6.772
  644    HE2  LYS  85           HE2      LYS  85  13.444  13.426  -8.552
  645    HE3  LYS  85           HE1      LYS  85  14.683  12.173  -8.501
  646    HZ1  LYS  85           HZ1      LYS  85  13.029  10.552  -9.193
  647    HZ2  LYS  85           HZ2      LYS  85  13.134  11.816 -10.317
  648    HZ3  LYS  85           HZ3      LYS  85  11.832  11.753  -9.234
  Start of MODEL    2
    1    H1   VAL   1           HT1      VAL   1   1.051 -21.566  -3.409
    2    H2   VAL   1           HT2      VAL   1   1.182 -20.109  -2.547
    3    H3   VAL   1           HT3      VAL   1   2.212 -20.418  -3.859
    4    HA   VAL   1           HA       VAL   1   0.474 -20.269  -5.413
    5    HB   VAL   1           HB       VAL   1  -1.842 -19.761  -4.743
    6   HG11  VAL   1          HG11      VAL   1  -2.447 -21.994  -3.947
    7   HG12  VAL   1          HG12      VAL   1  -0.759 -22.299  -3.535
    8   HG13  VAL   1          HG13      VAL   1  -1.227 -22.058  -5.220
    9   HG21  VAL   1          HG21      VAL   1  -1.446 -18.730  -2.581
   10   HG22  VAL   1          HG22      VAL   1  -0.864 -20.263  -1.932
   11   HG23  VAL   1          HG23      VAL   1  -2.552 -20.093  -2.410
   12    H    LEU   2           HN       LEU   2  -0.761 -18.150  -5.955
   13    HA   LEU   2           HA       LEU   2   0.672 -15.908  -5.389
   14    HB2  LEU   2           HB2      LEU   2  -2.295 -15.985  -5.972
   15    HB3  LEU   2           HB1      LEU   2  -1.240 -14.602  -6.197
   16    HG   LEU   2           HG       LEU   2  -1.074 -17.212  -7.714
   17   HD11  LEU   2          HD11      LEU   2  -2.997 -15.830  -8.339
   18   HD12  LEU   2          HD12      LEU   2  -1.796 -15.893  -9.627
   19   HD13  LEU   2          HD13      LEU   2  -1.923 -14.459  -8.608
   20   HD21  LEU   2          HD21      LEU   2   0.624 -16.101  -9.063
   21   HD22  LEU   2          HD22      LEU   2   1.130 -16.199  -7.376
   22   HD23  LEU   2          HD23      LEU   2   0.529 -14.675  -8.031
   23    H    LYS   3           HN       LYS   3   1.032 -14.796  -3.607
   24    HA   LYS   3           HA       LYS   3  -0.484 -15.536  -1.269
   25    HB2  LYS   3           HB2      LYS   3   2.217 -14.449  -1.801
   26    HB3  LYS   3           HB1      LYS   3   1.507 -14.111  -0.229
   27    HG2  LYS   3           HG2      LYS   3   1.762 -16.875  -1.386
   28    HG3  LYS   3           HG1      LYS   3   2.961 -16.134  -0.324
   29    HD2  LYS   3           HD2      LYS   3   0.073 -16.715   0.336
   30    HD3  LYS   3           HD1      LYS   3   1.491 -17.542   0.982
   31    HE2  LYS   3           HE2      LYS   3   0.724 -14.656   1.424
   32    HE3  LYS   3           HE1      LYS   3   0.645 -15.957   2.608
   33    HZ1  LYS   3           HZ1      LYS   3   3.122 -14.894   1.354
   34    HZ2  LYS   3           HZ2      LYS   3   3.060 -16.173   2.466
   35    HZ3  LYS   3           HZ3      LYS   3   2.606 -14.609   2.941
   36    H    GLY   4           HN       GLY   4  -2.204 -13.920  -2.401
   37    HA2  GLY   4           HA2      GLY   4  -2.385 -12.123  -0.286
   38    HA3  GLY   4           HA1      GLY   4  -2.274 -11.155  -1.727
   39    H    LYS   5           HN       LYS   5  -4.158 -10.504  -0.797
   40    HA   LYS   5           HA       LYS   5  -6.477 -11.661  -1.808
   41    HB2  LYS   5           HB2      LYS   5  -5.957 -13.046   0.367
   42    HB3  LYS   5           HB1      LYS   5  -6.443 -11.579   1.209
   43    HG2  LYS   5           HG2      LYS   5  -8.637 -11.684   0.325
   44    HG3  LYS   5           HG1      LYS   5  -8.184 -12.933  -0.835
   45    HD2  LYS   5           HD2      LYS   5  -7.814 -14.510   0.972
   46    HD3  LYS   5           HD1      LYS   5  -8.176 -13.260   2.162
   47    HE2  LYS   5           HE2      LYS   5 -10.102 -14.288   0.083
   48    HE3  LYS   5           HE1      LYS   5 -10.067 -14.799   1.767
   49    HZ1  LYS   5           HZ1      LYS   5 -10.451 -12.414   2.358
   50    HZ2  LYS   5           HZ2      LYS   5 -11.740 -13.165   1.555
   51    HZ3  LYS   5           HZ3      LYS   5 -10.725 -12.103   0.711
   52    H    ARG   6           HN       ARG   6  -7.064  -9.950   0.941
   53    HA   ARG   6           HA       ARG   6  -7.411  -7.726  -0.747
   54    HB2  ARG   6           HB2      ARG   6  -9.451  -7.088  -0.102
   55    HB3  ARG   6           HB1      ARG   6  -9.707  -8.813   0.181
   56    HG2  ARG   6           HG2      ARG   6  -9.683  -8.582   2.454
   57    HG3  ARG   6           HG1      ARG   6  -8.617  -7.186   2.365
   58    HD2  ARG   6           HD2      ARG   6 -10.591  -6.209   3.010
   59    HD3  ARG   6           HD1      ARG   6 -10.609  -6.004   1.257
   60    HE   ARG   6           HE       ARG   6 -11.886  -8.418   1.836
   61   HH11  ARG   6          HH11      ARG   6 -12.437  -4.983   2.313
   62   HH12  ARG   6          HH12      ARG   6 -14.167  -5.139   2.300
   63   HH21  ARG   6          HH21      ARG   6 -14.138  -8.611   1.810
   64   HH22  ARG   6          HH22      ARG   6 -15.132  -7.197   2.011
   65    H    LEU   7           HN       LEU   7  -7.775  -5.928   1.133
   66    HA   LEU   7           HA       LEU   7  -5.080  -6.216   2.094
   67    HB2  LEU   7           HB2      LEU   7  -5.956  -5.536  -0.269
   68    HB3  LEU   7           HB1      LEU   7  -6.139  -3.962   0.497
   69    HG   LEU   7           HG       LEU   7  -3.692  -5.555   0.674
   70   HD11  LEU   7          HD11      LEU   7  -4.125  -5.181  -1.709
   71   HD12  LEU   7          HD12      LEU   7  -2.793  -4.153  -1.178
   72   HD13  LEU   7          HD13      LEU   7  -4.402  -3.465  -1.410
   73   HD21  LEU   7          HD21      LEU   7  -2.961  -3.012   0.960
   74   HD22  LEU   7          HD22      LEU   7  -3.773  -3.855   2.283
   75   HD23  LEU   7          HD23      LEU   7  -4.704  -2.777   1.232
   76    H    PHE   8           HN       PHE   8  -5.147  -5.699   4.328
   77    HA   PHE   8           HA       PHE   8  -5.877  -2.876   4.774
   78    HB2  PHE   8           HB2      PHE   8  -5.144  -4.811   6.970
   79    HB3  PHE   8           HB1      PHE   8  -6.112  -3.341   7.073
   80    HD1  PHE   8           HD2      PHE   8  -8.009  -3.942   4.774
   81    HD2  PHE   8           HD1      PHE   8  -6.582  -6.339   7.984
   82    HE1  PHE   8           HE2      PHE   8 -10.047  -5.313   4.652
   83    HE2  PHE   8           HE1      PHE   8  -8.616  -7.716   7.866
   84    HZ   PHE   8           HZ       PHE   8 -10.352  -7.204   6.198
   85    H    ALA   9           HN       ALA   9  -4.023  -1.827   4.012
   86    HA   ALA   9           HA       ALA   9  -1.428  -3.002   4.791
   87    HB1  ALA   9           HB1      ALA   9  -1.991  -1.052   2.565
   88    HB2  ALA   9           HB2      ALA   9  -1.800  -2.796   2.379
   89    HB3  ALA   9           HB3      ALA   9  -0.440  -1.812   2.927
   90    H    ILE  10           HN       ILE  10  -0.623  -2.075   6.569
   91    HA   ILE  10           HA       ILE  10  -1.174   0.749   7.141
   92    HB   ILE  10           HB       ILE  10   0.397  -1.222   8.821
   93   HG12  ILE  10          HG12      ILE  10  -2.472  -0.297   9.140
   94   HG13  ILE  10          HG11      ILE  10  -1.973  -1.898   8.601
   95   HG21  ILE  10          HG21      ILE  10   0.081   0.456  10.600
   96   HG22  ILE  10          HG22      ILE  10  -0.714   1.517   9.436
   97   HG23  ILE  10          HG23      ILE  10   0.988   1.100   9.230
   98   HD11  ILE  10          HD11      ILE  10  -0.929  -2.311  10.755
   99   HD12  ILE  10          HD12      ILE  10  -2.634  -1.895  10.943
  100   HD13  ILE  10          HD13      ILE  10  -1.388  -0.697  11.296
  101    H    LEU  11           HN       LEU  11   0.304   2.141   6.127
  102    HA   LEU  11           HA       LEU  11   2.882   1.002   5.544
  103    HB2  LEU  11           HB2      LEU  11   2.511   2.641   3.372
  104    HB3  LEU  11           HB1      LEU  11   2.461   0.891   3.357
  105    HG   LEU  11           HG       LEU  11  -0.027   1.053   3.737
  106   HD11  LEU  11          HD11      LEU  11  -1.110   3.165   3.170
  107   HD12  LEU  11          HD12      LEU  11   0.465   3.950   3.078
  108   HD13  LEU  11          HD13      LEU  11  -0.114   3.313   4.618
  109   HD21  LEU  11          HD21      LEU  11   1.116   2.268   1.228
  110   HD22  LEU  11          HD22      LEU  11  -0.514   1.617   1.396
  111   HD23  LEU  11          HD23      LEU  11   0.880   0.550   1.553
  112    H    ARG  12           HN       ARG  12   4.494   2.418   5.704
  113    HA   ARG  12           HA       ARG  12   3.816   5.198   6.479
  114    HB2  ARG  12           HB2      ARG  12   5.846   3.399   7.826
  115    HB3  ARG  12           HB1      ARG  12   5.449   5.044   8.288
  116    HG2  ARG  12           HG2      ARG  12   3.505   2.750   8.371
  117    HG3  ARG  12           HG1      ARG  12   4.466   3.295   9.747
  118    HD2  ARG  12           HD2      ARG  12   2.464   4.958   8.222
  119    HD3  ARG  12           HD1      ARG  12   2.197   4.216   9.797
  120    HE   ARG  12           HE       ARG  12   4.331   6.203   9.400
  121   HH11  ARG  12          HH11      ARG  12   1.472   5.105  11.088
  122   HH12  ARG  12          HH12      ARG  12   1.501   6.400  12.247
  123   HH21  ARG  12          HH21      ARG  12   4.391   7.890  10.936
  124   HH22  ARG  12          HH22      ARG  12   3.170   7.968  12.174
  125    H    LEU  13           HN       LEU  13   5.509   6.755   6.188
  126    HA   LEU  13           HA       LEU  13   7.378   6.306   4.068
  127    HB2  LEU  13           HB2      LEU  13   6.653   8.580   5.872
  128    HB3  LEU  13           HB1      LEU  13   8.224   8.575   5.102
  129    HG   LEU  13           HG       LEU  13   6.696   9.976   3.898
  130   HD11  LEU  13          HD11      LEU  13   6.946   9.062   1.670
  131   HD12  LEU  13          HD12      LEU  13   7.258   7.466   2.350
  132   HD13  LEU  13          HD13      LEU  13   8.397   8.783   2.633
  133   HD21  LEU  13          HD21      LEU  13   4.941   7.554   3.600
  134   HD22  LEU  13          HD22      LEU  13   4.734   9.055   2.702
  135   HD23  LEU  13          HD23      LEU  13   4.550   9.049   4.454
  136    H    ALA  14           HN       ALA  14   9.433   5.983   4.420
  137    HA   ALA  14           HA       ALA  14  10.431   4.727   6.639
  138    HB1  ALA  14           HB1      ALA  14  11.511   4.636   4.444
  139    HB2  ALA  14           HB2      ALA  14  12.664   5.043   5.714
  140    HB3  ALA  14           HB3      ALA  14  12.053   6.302   4.642
  141    H    ASP  15           HN       ASP  15  10.438   8.154   5.916
  142    HA   ASP  15           HA       ASP  15  12.024   9.039   7.995
  143    HB2  ASP  15           HB2      ASP  15   9.663  10.411   6.691
  144    HB3  ASP  15           HB1      ASP  15  10.863  11.216   7.711
  145    H    GLY  16           HN       GLY  16   8.790   7.865   8.098
  146    HA2  GLY  16           HA2      GLY  16   8.016   7.153  10.368
  147    HA3  GLY  16           HA1      GLY  16   8.589   8.731  10.917
  148    H    SER  17           HN       SER  17   7.604   9.576   8.077
  149    HA   SER  17           HA       SER  17   5.020  10.414   8.874
  150    HB2  SER  17           HB2      SER  17   5.162  11.124   6.267
  151    HB3  SER  17           HB1      SER  17   5.956  12.020   7.567
  152    HG   SER  17           HG       SER  17   7.267  11.365   5.651
  153    H    GLN  18           HN       GLN  18   3.444  10.282   6.619
  154    HA   GLN  18           HA       GLN  18   3.036   7.376   6.274
  155    HB2  GLN  18           HB2      GLN  18   1.350   9.557   7.243
  156    HB3  GLN  18           HB1      GLN  18   0.587   8.488   6.062
  157    HG2  GLN  18           HG2      GLN  18   0.531   6.751   7.525
  158    HG3  GLN  18           HG1      GLN  18   2.058   7.195   8.284
  159   HE21  GLN  18          HE21      GLN  18  -0.517   6.443   9.484
  160   HE22  GLN  18          HE22      GLN  18  -0.931   7.759  10.544
  161    HA   PRO  19           HA       PRO  19   1.311   8.308   2.202
  162    HB2  PRO  19           HB2      PRO  19   0.425   5.566   2.204
  163    HB3  PRO  19           HB1      PRO  19   1.601   6.309   1.121
  164    HG2  PRO  19           HG2      PRO  19   2.179   4.395   3.040
  165    HG3  PRO  19           HG1      PRO  19   3.358   5.480   2.286
  166    HD2  PRO  19           HD2      PRO  19   2.112   5.609   4.973
  167    HD3  PRO  19           HD1      PRO  19   3.698   6.192   4.432
  168    HA   PRO  20           HA       PRO  20  -2.022   8.386   5.173
  169    HB2  PRO  20           HB2      PRO  20  -2.360  10.995   5.114
  170    HB3  PRO  20           HB1      PRO  20  -0.803  10.339   5.597
  171    HG2  PRO  20           HG2      PRO  20  -1.593  11.652   3.058
  172    HG3  PRO  20           HG1      PRO  20  -0.029  11.648   3.893
  173    HD2  PRO  20           HD2      PRO  20  -0.930   9.914   1.784
  174    HD3  PRO  20           HD1      PRO  20   0.657   9.930   2.592
  175    H    PHE  21           HN       PHE  21  -4.245   9.786   5.059
  176    HA   PHE  21           HA       PHE  21  -5.925   8.109   3.766
  177    HB2  PHE  21           HB2      PHE  21  -6.823   9.408   5.432
  178    HB3  PHE  21           HB1      PHE  21  -6.209  10.872   4.714
  179    HD1  PHE  21           HD2      PHE  21  -8.712   8.197   4.203
  180    HD2  PHE  21           HD1      PHE  21  -7.609  12.229   3.416
  181    HE1  PHE  21           HE2      PHE  21 -10.914   8.595   3.187
  182    HE2  PHE  21           HE1      PHE  21  -9.815  12.635   2.401
  183    HZ   PHE  21           HZ       PHE  21 -11.467  10.817   2.286
  184    H    GLY  22           HN       GLY  22  -5.947   7.595   1.673
  185    HA2  GLY  22           HA2      GLY  22  -7.186   8.029  -0.353
  186    HA3  GLY  22           HA1      GLY  22  -6.650   9.690  -0.233
  187    H    ALA  23           HN       ALA  23  -4.108   8.035   0.866
  188    HA   ALA  23           HA       ALA  23  -2.522   8.007  -1.260
  189    HB1  ALA  23           HB1      ALA  23  -1.159   6.297  -0.179
  190    HB2  ALA  23           HB2      ALA  23  -2.508   5.902   0.886
  191    HB3  ALA  23           HB3      ALA  23  -1.740   7.486   0.987
  192    H    SER  24           HN       SER  24  -3.702   7.542  -3.022
  193    HA   SER  24           HA       SER  24  -4.747   5.233  -3.931
  194    HB2  SER  24           HB2      SER  24  -3.097   7.343  -5.162
  195    HB3  SER  24           HB1      SER  24  -3.541   5.970  -6.168
  196    HG   SER  24           HG       SER  24  -5.741   6.464  -5.689
  197    H    VAL  25           HN       VAL  25  -3.849   3.250  -3.386
  198    HA   VAL  25           HA       VAL  25  -0.956   2.946  -3.789
  199    HB   VAL  25           HB       VAL  25  -2.320   0.615  -2.673
  200   HG11  VAL  25          HG11      VAL  25  -0.161   2.383  -1.600
  201   HG12  VAL  25          HG12      VAL  25   0.095   1.016  -2.696
  202   HG13  VAL  25          HG13      VAL  25  -0.552   0.748  -1.075
  203   HG21  VAL  25          HG21      VAL  25  -2.491   3.222  -1.183
  204   HG22  VAL  25          HG22      VAL  25  -2.550   1.645  -0.396
  205   HG23  VAL  25          HG23      VAL  25  -3.805   2.091  -1.553
  206    H    THR  26           HN       THR  26  -0.560   2.448  -5.916
  207    HA   THR  26           HA       THR  26  -2.349   0.475  -7.159
  208    HB   THR  26           HB       THR  26  -3.438   2.112  -8.305
  209    HG1  THR  26           HG1      THR  26  -0.987   1.886  -9.725
  210   HG21  THR  26          HG21      THR  26  -1.006   3.895  -8.144
  211   HG22  THR  26          HG22      THR  26  -2.418   3.983  -7.093
  212   HG23  THR  26          HG23      THR  26  -2.577   4.342  -8.812
  213    H    SER  27           HN       SER  27  -1.194  -0.848  -8.625
  214    HA   SER  27           HA       SER  27   1.659  -0.767  -8.061
  215    HB2  SER  27           HB2      SER  27   1.808  -2.840  -9.205
  216    HB3  SER  27           HB1      SER  27   0.336  -2.921  -8.239
  217    HG   SER  27           HG       SER  27   0.207  -3.624 -10.542
  218    H    GLU  28           HN       GLU  28   3.168  -0.891 -10.013
  219    HA   GLU  28           HA       GLU  28   2.960   1.334 -11.542
  220    HB2  GLU  28           HB2      GLU  28   4.473  -1.189 -12.219
  221    HB3  GLU  28           HB1      GLU  28   4.737   0.373 -12.985
  222    HG2  GLU  28           HG2      GLU  28   5.376   1.323 -10.824
  223    HG3  GLU  28           HG1      GLU  28   5.124  -0.251 -10.065
  224    H    LYS  29           HN       LYS  29   1.233  -1.544 -12.092
  225    HA   LYS  29           HA       LYS  29   0.795  -0.912 -14.926
  226    HB2  LYS  29           HB2      LYS  29  -0.112  -3.317 -13.333
  227    HB3  LYS  29           HB1      LYS  29  -0.377  -3.071 -15.054
  228    HG2  LYS  29           HG2      LYS  29   2.127  -2.970 -15.311
  229    HG3  LYS  29           HG1      LYS  29   2.237  -3.503 -13.634
  230    HD2  LYS  29           HD2      LYS  29   2.453  -5.398 -15.124
  231    HD3  LYS  29           HD1      LYS  29   0.944  -5.518 -14.215
  232    HE2  LYS  29           HE2      LYS  29  -0.327  -4.773 -16.093
  233    HE3  LYS  29           HE1      LYS  29   1.134  -4.377 -16.996
  234    HZ1  LYS  29           HZ1      LYS  29   1.700  -6.723 -17.044
  235    HZ2  LYS  29           HZ2      LYS  29   0.173  -6.466 -17.734
  236    HZ3  LYS  29           HZ3      LYS  29   0.300  -7.111 -16.171
  237    H    GLY  30           HN       GLY  30  -0.726  -0.633 -11.799
  238    HA2  GLY  30           HA2      GLY  30  -2.188   1.341 -11.710
  239    HA3  GLY  30           HA1      GLY  30  -2.893   0.722 -13.190
  240    H    ARG  31           HN       ARG  31  -1.900  -1.789 -11.139
  241    HA   ARG  31           HA       ARG  31  -4.421  -2.353 -10.362
  242    HB2  ARG  31           HB2      ARG  31  -1.795  -3.219  -9.220
  243    HB3  ARG  31           HB1      ARG  31  -3.308  -3.747  -8.485
  244    HG2  ARG  31           HG2      ARG  31  -3.941  -4.641 -10.759
  245    HG3  ARG  31           HG1      ARG  31  -2.263  -4.350 -11.232
  246    HD2  ARG  31           HD2      ARG  31  -3.184  -6.077  -8.935
  247    HD3  ARG  31           HD1      ARG  31  -2.598  -6.658 -10.494
  248    HE   ARG  31           HE       ARG  31  -0.425  -5.820  -9.935
  249   HH11  ARG  31          HH11      ARG  31  -2.710  -5.857  -7.278
  250   HH12  ARG  31          HH12      ARG  31  -1.485  -5.801  -6.058
  251   HH21  ARG  31          HH21      ARG  31   1.177  -5.759  -8.325
  252   HH22  ARG  31          HH22      ARG  31   0.730  -5.726  -6.643
  253    H    GLU  32           HN       GLU  32  -5.478  -0.616  -9.502
  254    HA   GLU  32           HA       GLU  32  -4.350   0.796  -7.249
  255    HB2  GLU  32           HB2      GLU  32  -7.098   1.206  -8.410
  256    HB3  GLU  32           HB1      GLU  32  -6.098   2.363  -7.538
  257    HG2  GLU  32           HG2      GLU  32  -4.500   2.323  -9.465
  258    HG3  GLU  32           HG1      GLU  32  -5.663   1.319 -10.326
  259    H    LEU  33           HN       LEU  33  -4.314  -0.847  -5.714
  260    HA   LEU  33           HA       LEU  33  -6.911  -2.111  -5.070
  261    HB2  LEU  33           HB2      LEU  33  -4.244  -3.477  -5.341
  262    HB3  LEU  33           HB1      LEU  33  -5.685  -4.198  -4.658
  263    HG   LEU  33           HG       LEU  33  -5.439  -3.197  -7.497
  264   HD11  LEU  33          HD11      LEU  33  -4.061  -5.208  -7.016
  265   HD12  LEU  33          HD12      LEU  33  -5.336  -5.471  -8.205
  266   HD13  LEU  33          HD13      LEU  33  -5.539  -6.051  -6.553
  267   HD21  LEU  33          HD21      LEU  33  -7.707  -3.061  -6.664
  268   HD22  LEU  33          HD22      LEU  33  -7.629  -4.736  -6.118
  269   HD23  LEU  33          HD23      LEU  33  -7.566  -4.367  -7.842
  270    H    GLY  34           HN       GLY  34  -4.557  -0.199  -4.068
  271    HA2  GLY  34           HA2      GLY  34  -5.659  -0.552  -1.360
  272    HA3  GLY  34           HA1      GLY  34  -3.973  -0.098  -1.624
  273    H    MET  35           HN       MET  35  -6.446   1.385  -0.399
  274    HA   MET  35           HA       MET  35  -5.122   3.874  -1.118
  275    HB2  MET  35           HB2      MET  35  -8.151   3.767  -1.163
  276    HB3  MET  35           HB1      MET  35  -7.156   5.205  -1.274
  277    HG2  MET  35           HG2      MET  35  -6.351   4.664  -3.365
  278    HG3  MET  35           HG1      MET  35  -6.870   2.980  -3.220
  279    HE1  MET  35           HE1      MET  35  -9.555   2.335  -3.204
  280    HE2  MET  35           HE2      MET  35 -10.829   3.529  -3.449
  281    HE3  MET  35           HE3      MET  35  -9.850   3.569  -1.981
  282    H    VAL  36           HN       VAL  36  -4.756   5.067   0.618
  283    HA   VAL  36           HA       VAL  36  -5.188   3.803   3.140
  284    HB   VAL  36           HB       VAL  36  -4.045   6.461   2.378
  285   HG11  VAL  36          HG11      VAL  36  -3.508   6.805   4.764
  286   HG12  VAL  36          HG12      VAL  36  -4.444   5.367   5.178
  287   HG13  VAL  36          HG13      VAL  36  -5.253   6.781   4.501
  288   HG21  VAL  36          HG21      VAL  36  -2.694   4.463   2.052
  289   HG22  VAL  36          HG22      VAL  36  -2.899   4.053   3.754
  290   HG23  VAL  36          HG23      VAL  36  -2.029   5.518   3.299
  291    H    ALA  37           HN       ALA  37  -6.668   4.139   4.679
  292    HA   ALA  37           HA       ALA  37  -8.395   6.467   4.457
  293    HB1  ALA  37           HB1      ALA  37  -9.525   3.705   4.876
  294    HB2  ALA  37           HB2      ALA  37  -9.674   4.663   3.403
  295    HB3  ALA  37           HB3      ALA  37 -10.423   5.224   4.897
  296    H    ASP  38           HN       ASP  38  -8.297   7.494   6.292
  297    HA   ASP  38           HA       ASP  38  -7.977   8.032   8.457
  298    HB2  ASP  38           HB2      ASP  38  -8.580   5.107   8.917
  299    HB3  ASP  38           HB1      ASP  38  -8.293   6.251  10.223
  300    H    GLU  39           HN       GLU  39  -6.082   8.672   9.012
  301    HA   GLU  39           HA       GLU  39  -3.948   8.770   9.677
  302    HB2  GLU  39           HB2      GLU  39  -4.211   5.828  10.298
  303    HB3  GLU  39           HB1      GLU  39  -2.992   6.934  10.929
  304    HG2  GLU  39           HG2      GLU  39  -5.935   6.889  11.523
  305    HG3  GLU  39           HG1      GLU  39  -4.596   6.619  12.637
  306    H    GLY  40           HN       GLY  40  -3.598   5.397   8.526
  307    HA2  GLY  40           HA2      GLY  40  -2.242   6.201   6.222
  308    HA3  GLY  40           HA1      GLY  40  -1.041   5.905   7.470
  309    H    LEU  41           HN       LEU  41  -4.065   4.053   6.864
  310    HA   LEU  41           HA       LEU  41  -2.357   2.091   5.539
  311    HB2  LEU  41           HB2      LEU  41  -3.066   0.352   6.849
  312    HB3  LEU  41           HB1      LEU  41  -2.996   1.660   7.984
  313    HG   LEU  41           HG       LEU  41  -4.873   0.438   8.570
  314   HD11  LEU  41          HD11      LEU  41  -5.300   2.795   8.630
  315   HD12  LEU  41          HD12      LEU  41  -6.765   1.923   8.179
  316   HD13  LEU  41          HD13      LEU  41  -5.833   2.775   6.948
  317   HD21  LEU  41          HD21      LEU  41  -6.623  -0.244   7.004
  318   HD22  LEU  41          HD22      LEU  41  -5.051  -0.926   6.588
  319   HD23  LEU  41          HD23      LEU  41  -5.687   0.440   5.674
  320    H    ALA  42           HN       ALA  42  -3.317   0.776   3.970
  321    HA   ALA  42           HA       ALA  42  -5.440   2.256   2.603
  322    HB1  ALA  42           HB1      ALA  42  -3.317   1.761   1.360
  323    HB2  ALA  42           HB2      ALA  42  -4.820   1.291   0.551
  324    HB3  ALA  42           HB3      ALA  42  -3.818   0.066   1.362
  325    H    TRP  43           HN       TRP  43  -7.359   1.625   2.566
  326    HA   TRP  43           HA       TRP  43  -8.126  -1.019   3.545
  327    HB2  TRP  43           HB2      TRP  43  -9.412   1.639   3.322
  328    HB3  TRP  43           HB1      TRP  43 -10.415   0.176   3.365
  329    HD1  TRP  43           HD1      TRP  43  -8.220   2.317   5.567
  330    HE1  TRP  43           HE1      TRP  43  -8.098   1.241   7.902
  331    HE3  TRP  43           HE3      TRP  43 -10.654  -2.038   4.542
  332    HZ2  TRP  43           HZ2      TRP  43  -8.910  -1.142   9.052
  333    HZ3  TRP  43           HZ3      TRP  43 -10.952  -3.680   6.352
  334    HH2  TRP  43           HH2      TRP  43 -10.100  -3.229   8.597
  335    H    LEU  44           HN       LEU  44  -7.893  -2.277   1.656
  336    HA   LEU  44           HA       LEU  44  -9.526  -1.872  -0.600
  337    HB2  LEU  44           HB2      LEU  44  -6.765  -0.930  -0.819
  338    HB3  LEU  44           HB1      LEU  44  -7.396  -1.879  -2.154
  339    HG   LEU  44           HG       LEU  44  -8.083   0.877  -1.302
  340   HD11  LEU  44          HD11      LEU  44  -8.037  -0.556  -3.949
  341   HD12  LEU  44          HD12      LEU  44  -6.807   0.544  -3.311
  342   HD13  LEU  44          HD13      LEU  44  -8.416   1.155  -3.730
  343   HD21  LEU  44          HD21      LEU  44 -10.257   0.817  -2.362
  344   HD22  LEU  44          HD22      LEU  44 -10.208  -0.192  -0.918
  345   HD23  LEU  44          HD23      LEU  44 -10.142  -0.935  -2.520
  346    H    SER  45           HN       SER  45  -7.525  -3.614  -2.230
  347    HA   SER  45           HA       SER  45  -7.570  -5.918  -0.888
  348    HB2  SER  45           HB2      SER  45  -9.803  -6.282  -0.806
  349    HB3  SER  45           HB1      SER  45 -10.117  -5.257  -2.188
  350    HG   SER  45           HG       SER  45 -10.345  -7.745  -2.261
  351    H    GLY  46           HN       GLY  46  -5.620  -6.304  -1.919
  352    HA2  GLY  46           HA2      GLY  46  -5.341  -7.917  -4.030
  353    HA3  GLY  46           HA1      GLY  46  -5.634  -6.383  -4.822
  354    H    VAL  47           HN       VAL  47  -3.357  -8.134  -2.753
  355    HA   VAL  47           HA       VAL  47  -1.358  -6.154  -3.522
  356    HB   VAL  47           HB       VAL  47  -1.912  -5.701  -1.149
  357   HG11  VAL  47          HG11      VAL  47  -0.879  -8.488  -0.669
  358   HG12  VAL  47          HG12      VAL  47  -2.533  -7.925  -0.428
  359   HG13  VAL  47          HG13      VAL  47  -1.231  -7.295   0.581
  360   HG21  VAL  47          HG21      VAL  47   0.853  -6.787  -1.662
  361   HG22  VAL  47          HG22      VAL  47   0.411  -5.759  -0.301
  362   HG23  VAL  47          HG23      VAL  47   0.293  -5.139  -1.947
  363    H    THR  48           HN       THR  48   0.674  -7.018  -3.999
  364    HA   THR  48           HA       THR  48   0.845  -9.965  -3.918
  365    HB   THR  48           HB       THR  48   2.192  -8.229  -5.985
  366    HG1  THR  48           HG1      THR  48  -0.405  -9.189  -5.853
  367   HG21  THR  48          HG21      THR  48   1.652 -11.197  -5.917
  368   HG22  THR  48          HG22      THR  48   3.204 -10.437  -5.567
  369   HG23  THR  48          HG23      THR  48   2.509 -10.319  -7.185
  370    HA   PRO  49           HA       PRO  49   4.415  -9.090  -1.374
  371    HB2  PRO  49           HB2      PRO  49   5.397 -11.626  -1.308
  372    HB3  PRO  49           HB1      PRO  49   4.020 -11.098  -0.334
  373    HG2  PRO  49           HG2      PRO  49   4.046 -12.601  -2.924
  374    HG3  PRO  49           HG1      PRO  49   3.042 -12.868  -1.481
  375    HD2  PRO  49           HD2      PRO  49   2.118 -11.575  -3.679
  376    HD3  PRO  49           HD1      PRO  49   1.578 -11.172  -2.032
  377    H    GLY  50           HN       GLY  50   6.228  -8.140  -2.135
  378    HA2  GLY  50           HA2      GLY  50   8.454  -8.377  -3.022
  379    HA3  GLY  50           HA1      GLY  50   7.852  -9.654  -4.079
  380    H    GLU  51           HN       GLU  51   6.684  -6.250  -3.501
  381    HA   GLU  51           HA       GLU  51   6.774  -6.047  -6.401
  382    HB2  GLU  51           HB2      GLU  51   4.565  -5.645  -6.833
  383    HB3  GLU  51           HB1      GLU  51   4.465  -6.869  -5.585
  384    HG2  GLU  51           HG2      GLU  51   3.777  -5.357  -3.965
  385    HG3  GLU  51           HG1      GLU  51   4.317  -3.968  -4.910
  386    H    THR  52           HN       THR  52   5.831  -3.823  -7.065
  387    HA   THR  52           HA       THR  52   6.907  -1.792  -5.263
  388    HB   THR  52           HB       THR  52   7.591  -0.556  -7.435
  389    HG1  THR  52           HG1      THR  52   7.323  -1.683  -9.206
  390   HG21  THR  52          HG21      THR  52   9.815  -1.570  -7.381
  391   HG22  THR  52          HG22      THR  52   9.167  -2.966  -6.517
  392   HG23  THR  52          HG23      THR  52   9.178  -1.378  -5.746
  393    H    LEU  53           HN       LEU  53   4.860  -1.266  -4.614
  394    HA   LEU  53           HA       LEU  53   2.701  -0.548  -6.338
  395    HB2  LEU  53           HB2      LEU  53   3.351  -0.027  -3.452
  396    HB3  LEU  53           HB1      LEU  53   1.970   0.723  -4.239
  397    HG   LEU  53           HG       LEU  53   2.301  -2.245  -4.220
  398   HD11  LEU  53          HD11      LEU  53   0.928  -0.551  -2.140
  399   HD12  LEU  53          HD12      LEU  53   2.386  -1.512  -1.895
  400   HD13  LEU  53          HD13      LEU  53   0.855  -2.310  -2.252
  401   HD21  LEU  53          HD21      LEU  53   0.016  -0.305  -4.548
  402   HD22  LEU  53          HD22      LEU  53  -0.189  -2.057  -4.431
  403   HD23  LEU  53          HD23      LEU  53   0.704  -1.362  -5.785
  404    H    SER  54           HN       SER  54   2.086   1.491  -7.036
  405    HA   SER  54           HA       SER  54   3.723   3.694  -6.131
  406    HB2  SER  54           HB2      SER  54   3.140   4.836  -8.294
  407    HB3  SER  54           HB1      SER  54   4.159   3.404  -8.459
  408    HG   SER  54           HG       SER  54   1.535   2.740  -8.553
  409    H    VAL  55           HN       VAL  55   2.926   5.294  -5.104
  410    HA   VAL  55           HA       VAL  55   0.054   5.051  -4.535
  411    HB   VAL  55           HB       VAL  55   2.178   5.752  -2.534
  412   HG11  VAL  55          HG11      VAL  55  -0.607   4.681  -2.215
  413   HG12  VAL  55          HG12      VAL  55  -0.081   6.332  -1.891
  414   HG13  VAL  55          HG13      VAL  55   0.528   5.002  -0.905
  415   HG21  VAL  55          HG21      VAL  55   2.830   3.614  -3.382
  416   HG22  VAL  55          HG22      VAL  55   1.172   3.015  -3.247
  417   HG23  VAL  55          HG23      VAL  55   2.092   3.393  -1.791
  418    H    ASN  56           HN       ASN  56  -1.099   6.839  -4.772
  419    HA   ASN  56           HA       ASN  56   0.324   9.394  -5.260
  420    HB2  ASN  56           HB2      ASN  56  -2.330   8.330  -6.273
  421    HB3  ASN  56           HB1      ASN  56  -1.876  10.007  -6.436
  422   HD21  ASN  56          HD21      ASN  56  -1.353   6.754  -7.473
  423   HD22  ASN  56          HD22      ASN  56  -0.442   7.151  -8.905
  424    H    TRP  57           HN       TRP  57  -0.261  11.219  -3.951
  425    HA   TRP  57           HA       TRP  57  -3.050  11.431  -3.448
  426    HB2  TRP  57           HB2      TRP  57  -3.102  11.583  -1.140
  427    HB3  TRP  57           HB1      TRP  57  -2.095  10.207  -1.522
  428    HD1  TRP  57           HD1      TRP  57  -1.905  13.745  -0.155
  429    HE1  TRP  57           HE1      TRP  57   0.220  14.019   1.241
  430    HE3  TRP  57           HE3      TRP  57   0.276   9.192  -1.052
  431    HZ2  TRP  57           HZ2      TRP  57   2.438  12.558   1.847
  432    HZ3  TRP  57           HZ3      TRP  57   2.440   8.755   0.074
  433    HH2  TRP  57           HH2      TRP  57   3.495  10.393   1.477
  434    H    ASP  58           HN       ASP  58  -2.536  13.723  -1.482
  435    HA   ASP  58           HA       ASP  58  -2.431  15.987  -2.796
  436    HB2  ASP  58           HB2      ASP  58  -2.286  15.891  -0.341
  437    HB3  ASP  58           HB1      ASP  58  -0.597  15.424  -0.459
  438    H    GLY  59           HN       GLY  59   0.714  14.519  -1.772
  439    HA2  GLY  59           HA2      GLY  59   2.093  16.045  -3.832
  440    HA3  GLY  59           HA1      GLY  59   2.796  14.790  -2.804
  441    H    LYS  60           HN       LYS  60   0.061  13.612  -4.050
  442    HA   LYS  60           HA       LYS  60  -0.542  12.110  -5.587
  443    HB2  LYS  60           HB2      LYS  60   1.505  13.519  -7.273
  444    HB3  LYS  60           HB1      LYS  60   0.089  12.619  -7.839
  445    HG2  LYS  60           HG2      LYS  60  -1.253  14.196  -6.288
  446    HG3  LYS  60           HG1      LYS  60   0.210  15.206  -6.350
  447    HD2  LYS  60           HD2      LYS  60  -1.361  14.322  -8.775
  448    HD3  LYS  60           HD1      LYS  60  -1.374  15.939  -8.064
  449    HE2  LYS  60           HE2      LYS  60   1.133  15.969  -8.437
  450    HE3  LYS  60           HE1      LYS  60   0.915  14.519  -9.412
  451    HZ1  LYS  60           HZ1      LYS  60  -0.619  15.806 -10.834
  452    HZ2  LYS  60           HZ2      LYS  60   0.954  16.437 -10.821
  453    HZ3  LYS  60           HZ3      LYS  60  -0.268  17.198  -9.926
  454    H    ILE  61           HN       ILE  61   1.277  11.000  -7.658
  455    HA   ILE  61           HA       ILE  61   2.063   8.864  -6.156
  456    HB   ILE  61           HB       ILE  61   1.887   9.333  -8.863
  457   HG12  ILE  61          HG12      ILE  61   3.041   6.866  -7.555
  458   HG13  ILE  61          HG11      ILE  61   1.314   7.272  -7.561
  459   HG21  ILE  61          HG21      ILE  61   4.180  10.055  -9.084
  460   HG22  ILE  61          HG22      ILE  61   3.942   8.497  -9.875
  461   HG23  ILE  61          HG23      ILE  61   4.741   8.575  -8.304
  462   HD11  ILE  61          HD11      ILE  61   1.343   7.186 -10.020
  463   HD12  ILE  61          HD12      ILE  61   1.817   5.654  -9.287
  464   HD13  ILE  61          HD13      ILE  61   3.044   6.718  -9.978
  465    H    GLN  62           HN       GLN  62   3.166   9.289  -4.471
  466    HA   GLN  62           HA       GLN  62   5.901  10.254  -4.784
  467    HB2  GLN  62           HB2      GLN  62   5.499  11.559  -2.658
  468    HB3  GLN  62           HB1      GLN  62   4.824  12.185  -4.145
  469    HG2  GLN  62           HG2      GLN  62   2.695  11.874  -3.458
  470    HG3  GLN  62           HG1      GLN  62   3.096  10.570  -2.337
  471   HE21  GLN  62          HE21      GLN  62   1.586  13.023  -1.913
  472   HE22  GLN  62          HE22      GLN  62   2.391  13.886  -0.625
  473    H    CYS  63           HN       CYS  63   3.632   8.450  -2.966
  474    HA   CYS  63           HA       CYS  63   5.808   7.219  -1.438
  475    HB2  CYS  63           HB2      CYS  63   2.984   7.542  -0.933
  476    HB3  CYS  63           HB1      CYS  63   3.402   5.827  -0.972
  477    H    GLN  64           HN       GLN  64   6.529   5.186  -2.089
  478    HA   GLN  64           HA       GLN  64   4.791   3.719  -3.945
  479    HB2  GLN  64           HB2      GLN  64   7.785   4.007  -4.237
  480    HB3  GLN  64           HB1      GLN  64   6.713   3.034  -5.246
  481    HG2  GLN  64           HG2      GLN  64   5.534   4.993  -5.931
  482    HG3  GLN  64           HG1      GLN  64   6.570   5.987  -4.909
  483   HE21  GLN  64          HE21      GLN  64   8.956   4.416  -5.577
  484   HE22  GLN  64          HE22      GLN  64   9.410   4.886  -7.176
  485    H    VAL  65           HN       VAL  65   4.890   1.401  -3.527
  486    HA   VAL  65           HA       VAL  65   6.037   1.281  -0.919
  487    HB   VAL  65           HB       VAL  65   3.372   0.184  -1.702
  488   HG11  VAL  65          HG11      VAL  65   3.359  -1.217   0.307
  489   HG12  VAL  65          HG12      VAL  65   5.050  -0.809   0.603
  490   HG13  VAL  65          HG13      VAL  65   4.605  -1.744  -0.826
  491   HG21  VAL  65          HG21      VAL  65   2.773   1.137   0.464
  492   HG22  VAL  65          HG22      VAL  65   3.495   2.325  -0.622
  493   HG23  VAL  65          HG23      VAL  65   4.451   1.628   0.685
  494    H    ASN  66           HN       ASN  66   7.277  -0.527  -0.445
  495    HA   ASN  66           HA       ASN  66   7.547  -2.312  -2.763
  496    HB2  ASN  66           HB2      ASN  66   9.681  -1.125  -2.304
  497    HB3  ASN  66           HB1      ASN  66   9.662  -1.748  -0.654
  498   HD21  ASN  66          HD21      ASN  66  11.587  -2.837  -0.850
  499   HD22  ASN  66          HD22      ASN  66  11.764  -4.255  -1.834
  500    H    VAL  67           HN       VAL  67   6.422  -4.027  -2.419
  501    HA   VAL  67           HA       VAL  67   5.742  -4.867   0.273
  502    HB   VAL  67           HB       VAL  67   4.925  -6.115  -2.342
  503   HG11  VAL  67          HG11      VAL  67   3.175  -7.192  -1.002
  504   HG12  VAL  67          HG12      VAL  67   3.844  -6.456   0.455
  505   HG13  VAL  67          HG13      VAL  67   4.786  -7.643  -0.447
  506   HG21  VAL  67          HG21      VAL  67   4.083  -3.843  -2.217
  507   HG22  VAL  67          HG22      VAL  67   3.461  -4.139  -0.592
  508   HG23  VAL  67          HG23      VAL  67   2.762  -4.986  -1.973
  509    HA   PRO  68           HA       PRO  68   9.019  -7.889   0.084
  510    HB2  PRO  68           HB2      PRO  68   8.727  -8.467   2.811
  511    HB3  PRO  68           HB1      PRO  68   9.819  -7.273   2.113
  512    HG2  PRO  68           HG2      PRO  68   7.582  -6.760   3.756
  513    HG3  PRO  68           HG1      PRO  68   8.537  -5.569   2.859
  514    HD2  PRO  68           HD2      PRO  68   5.923  -6.810   2.168
  515    HD3  PRO  68           HD1      PRO  68   6.557  -5.199   1.768
  516    H    GLU  69           HN       GLU  69   9.228 -10.208   0.612
  517    HA   GLU  69           HA       GLU  69   6.872 -11.635   0.060
  518    HB2  GLU  69           HB2      GLU  69   9.540 -12.681   1.025
  519    HB3  GLU  69           HB1      GLU  69   8.259 -13.657   0.320
  520    HG2  GLU  69           HG2      GLU  69   8.457 -12.313  -1.757
  521    HG3  GLU  69           HG1      GLU  69   9.843 -11.492  -1.038
  522    H    THR  70           HN       THR  70   7.528 -10.266   2.892
  523    HA   THR  70           HA       THR  70   6.662 -12.506   4.578
  524    HB   THR  70           HB       THR  70   8.601 -11.256   5.421
  525    HG1  THR  70           HG1      THR  70   6.151 -11.065   6.841
  526   HG21  THR  70          HG21      THR  70   8.395  -8.925   6.131
  527   HG22  THR  70          HG22      THR  70   6.744  -8.871   5.511
  528   HG23  THR  70          HG23      THR  70   8.096  -9.078   4.399
  529    H    ALA  71           HN       ALA  71   5.035 -10.938   2.596
  530    HA   ALA  71           HA       ALA  71   3.274  -9.245   4.179
  531    HB1  ALA  71           HB1      ALA  71   2.996 -10.092   1.300
  532    HB2  ALA  71           HB2      ALA  71   3.846  -8.645   1.841
  533    HB3  ALA  71           HB3      ALA  71   2.113  -8.806   2.124
  534    H    ILE  72           HN       ILE  72   0.978  -9.621   4.142
  535    HA   ILE  72           HA       ILE  72   0.388 -12.435   4.497
  536    HB   ILE  72           HB       ILE  72  -0.058 -10.208   6.458
  537   HG12  ILE  72          HG12      ILE  72   1.170 -12.960   6.733
  538   HG13  ILE  72          HG11      ILE  72   2.055 -11.443   6.608
  539   HG21  ILE  72          HG21      ILE  72  -1.439 -11.753   7.792
  540   HG22  ILE  72          HG22      ILE  72  -1.379 -12.928   6.478
  541   HG23  ILE  72          HG23      ILE  72  -2.187 -11.379   6.238
  542   HD11  ILE  72          HD11      ILE  72   1.111 -10.710   8.724
  543   HD12  ILE  72          HD12      ILE  72   1.962 -12.244   8.897
  544   HD13  ILE  72          HD13      ILE  72   0.198 -12.213   8.848
  545    H    SER  73           HN       SER  73  -1.831 -12.956   4.058
  546    HA   SER  73           HA       SER  73  -2.926 -11.056   2.105
  547    HB2  SER  73           HB2      SER  73  -3.714 -13.942   2.491
  548    HB3  SER  73           HB1      SER  73  -3.946 -12.929   1.065
  549    HG   SER  73           HG       SER  73  -1.445 -12.845   1.297
  550    H    ASP  74           HN       ASP  74  -4.893 -10.067   2.490
  551    HA   ASP  74           HA       ASP  74  -7.104  -9.902   3.083
  552    HB2  ASP  74           HB2      ASP  74  -7.215 -12.403   2.872
  553    HB3  ASP  74           HB1      ASP  74  -6.820 -12.511   4.583
  554    H    GLN  75           HN       GLN  75  -4.509  -9.696   4.989
  555    HA   GLN  75           HA       GLN  75  -6.065  -9.065   7.392
  556    HB2  GLN  75           HB2      GLN  75  -3.224 -10.097   7.298
  557    HB3  GLN  75           HB1      GLN  75  -4.061  -9.558   8.744
  558    HG2  GLN  75           HG2      GLN  75  -5.010 -11.856   7.056
  559    HG3  GLN  75           HG1      GLN  75  -3.902 -12.039   8.411
  560   HE21  GLN  75          HE21      GLN  75  -6.653  -9.830   8.242
  561   HE22  GLN  75          HE22      GLN  75  -7.571 -10.601   9.504
  562    H    GLN  76           HN       GLN  76  -3.936  -7.873   8.741
  563    HA   GLN  76           HA       GLN  76  -3.542  -5.463   7.132
  564    HB2  GLN  76           HB2      GLN  76  -3.218  -4.223   9.190
  565    HB3  GLN  76           HB1      GLN  76  -4.775  -5.034   9.231
  566    HG2  GLN  76           HG2      GLN  76  -3.845  -6.766  10.671
  567    HG3  GLN  76           HG1      GLN  76  -2.274  -5.966  10.623
  568   HE21  GLN  76          HE21      GLN  76  -3.923  -6.541  12.927
  569   HE22  GLN  76          HE22      GLN  76  -4.260  -5.008  13.672
  570    H    LEU  77           HN       LEU  77  -1.408  -4.700   6.946
  571    HA   LEU  77           HA       LEU  77   0.689  -6.298   8.025
  572    HB2  LEU  77           HB2      LEU  77  -0.175  -7.474   5.852
  573    HB3  LEU  77           HB1      LEU  77   0.606  -6.149   5.017
  574    HG   LEU  77           HG       LEU  77   1.902  -8.335   5.221
  575   HD11  LEU  77          HD11      LEU  77   4.039  -7.210   5.547
  576   HD12  LEU  77          HD12      LEU  77   3.203  -5.804   6.210
  577   HD13  LEU  77          HD13      LEU  77   2.961  -6.262   4.524
  578   HD21  LEU  77          HD21      LEU  77   2.265  -7.336   8.041
  579   HD22  LEU  77          HD22      LEU  77   3.132  -8.680   7.296
  580   HD23  LEU  77          HD23      LEU  77   1.391  -8.787   7.557
  581    H    LEU  78           HN       LEU  78   2.726  -5.093   7.749
  582    HA   LEU  78           HA       LEU  78   2.004  -2.307   7.357
  583    HB2  LEU  78           HB2      LEU  78   3.868  -1.626   8.720
  584    HB3  LEU  78           HB1      LEU  78   2.878  -2.761   9.606
  585    HG   LEU  78           HG       LEU  78   5.067  -3.280  10.202
  586   HD11  LEU  78          HD11      LEU  78   5.558  -5.485   9.308
  587   HD12  LEU  78          HD12      LEU  78   4.402  -5.214   8.003
  588   HD13  LEU  78          HD13      LEU  78   3.843  -5.288   9.675
  589   HD21  LEU  78          HD21      LEU  78   6.240  -1.962   8.566
  590   HD22  LEU  78          HD22      LEU  78   5.862  -3.137   7.307
  591   HD23  LEU  78          HD23      LEU  78   6.921  -3.585   8.644
  592    H    LEU  79           HN       LEU  79   3.122  -1.068   5.885
  593    HA   LEU  79           HA       LEU  79   4.893  -2.602   4.116
  594    HB2  LEU  79           HB2      LEU  79   2.535  -0.921   3.371
  595    HB3  LEU  79           HB1      LEU  79   3.882  -1.064   2.266
  596    HG   LEU  79           HG       LEU  79   2.274  -2.644   1.562
  597   HD11  LEU  79          HD11      LEU  79   4.544  -3.478   1.510
  598   HD12  LEU  79          HD12      LEU  79   3.416  -4.788   1.853
  599   HD13  LEU  79          HD13      LEU  79   4.379  -4.093   3.156
  600   HD21  LEU  79          HD21      LEU  79   0.932  -2.698   3.613
  601   HD22  LEU  79          HD22      LEU  79   2.161  -3.700   4.383
  602   HD23  LEU  79          HD23      LEU  79   1.265  -4.316   2.995
  603    HA   PRO  80           HA       PRO  80   7.430   1.003   4.534
  604    HB2  PRO  80           HB2      PRO  80   9.516   0.122   3.085
  605    HB3  PRO  80           HB1      PRO  80   9.131  -0.542   4.674
  606    HG2  PRO  80           HG2      PRO  80   8.735  -1.721   1.989
  607    HG3  PRO  80           HG1      PRO  80   8.993  -2.524   3.552
  608    HD2  PRO  80           HD2      PRO  80   6.522  -2.127   2.202
  609    HD3  PRO  80           HD1      PRO  80   6.766  -2.784   3.830
  610    H    CYS  81           HN       CYS  81   7.080   2.831   3.536
  611    HA   CYS  81           HA       CYS  81   6.599   2.930   0.659
  612    HB2  CYS  81           HB2      CYS  81   5.050   4.253   1.872
  613    HB3  CYS  81           HB1      CYS  81   6.325   4.967   2.866
  614    H    THR  82           HN       THR  82   8.138   3.387  -0.694
  615    HA   THR  82           HA       THR  82  10.582   4.728   0.243
  616    HB   THR  82           HB       THR  82  10.285   3.452  -2.470
  617    HG1  THR  82           HG1      THR  82   9.890   2.065  -0.375
  618   HG21  THR  82          HG21      THR  82  12.643   3.906  -0.634
  619   HG22  THR  82          HG22      THR  82  12.245   4.858  -2.065
  620   HG23  THR  82          HG23      THR  82  12.717   3.166  -2.235
  621    HA   PRO  83           HA       PRO  83   8.845   8.353  -1.655
  622    HB2  PRO  83           HB2      PRO  83  11.181   9.730  -2.094
  623    HB3  PRO  83           HB1      PRO  83  10.341   9.663  -0.542
  624    HG2  PRO  83           HG2      PRO  83  12.698   8.091  -1.495
  625    HG3  PRO  83           HG1      PRO  83  12.393   8.800   0.101
  626    HD2  PRO  83           HD2      PRO  83  12.050   6.172  -0.376
  627    HD3  PRO  83           HD1      PRO  83  11.007   7.067   0.748
  628    H    GLN  84           HN       GLN  84   8.455   9.142  -3.670
  629    HA   GLN  84           HA       GLN  84   9.099   7.794  -5.944
  630    HB2  GLN  84           HB2      GLN  84   7.274   9.359  -5.891
  631    HB3  GLN  84           HB1      GLN  84   8.375  10.706  -5.607
  632    HG2  GLN  84           HG2      GLN  84   9.400  10.039  -7.880
  633    HG3  GLN  84           HG1      GLN  84   7.892   9.156  -8.116
  634   HE21  GLN  84          HE21      GLN  84   8.082  12.126  -6.297
  635   HE22  GLN  84          HE22      GLN  84   7.236  13.112  -7.451
  636    H    LYS  85           HN       LYS  85  10.733   7.763  -7.383
  637    HA   LYS  85           HA       LYS  85  13.069   9.448  -6.823
  638    HB2  LYS  85           HB2      LYS  85  12.841   6.890  -8.423
  639    HB3  LYS  85           HB1      LYS  85  14.296   7.870  -8.318
  640    HG2  LYS  85           HG2      LYS  85  12.934   6.422  -6.054
  641    HG3  LYS  85           HG1      LYS  85  14.467   5.997  -6.818
  642    HD2  LYS  85           HD2      LYS  85  15.366   8.204  -6.087
  643    HD3  LYS  85           HD1      LYS  85  13.867   8.469  -5.198
  644    HE2  LYS  85           HE2      LYS  85  15.626   7.642  -3.730
  645    HE3  LYS  85           HE1      LYS  85  14.307   6.479  -3.854
  646    HZ1  LYS  85           HZ1      LYS  85  15.576   5.083  -5.211
  647    HZ2  LYS  85           HZ2      LYS  85  16.663   5.587  -4.007
  648    HZ3  LYS  85           HZ3      LYS  85  16.719   6.285  -5.552
  Start of MODEL    3
    1    H1   VAL   1           HT1      VAL   1 -11.923 -14.160  -2.163
    2    H2   VAL   1           HT2      VAL   1 -11.689 -13.153  -3.504
    3    H3   VAL   1           HT3      VAL   1 -10.447 -14.179  -2.992
    4    HA   VAL   1           HA       VAL   1 -13.076 -15.129  -3.932
    5    HB   VAL   1           HB       VAL   1 -12.149 -14.045  -5.826
    6   HG11  VAL   1          HG11      VAL   1  -9.532 -15.421  -5.249
    7   HG12  VAL   1          HG12      VAL   1  -9.875 -13.700  -5.087
    8   HG13  VAL   1          HG13      VAL   1  -9.882 -14.453  -6.680
    9   HG21  VAL   1          HG21      VAL   1 -11.692 -15.898  -7.380
   10   HG22  VAL   1          HG22      VAL   1 -13.071 -16.217  -6.328
   11   HG23  VAL   1          HG23      VAL   1 -11.518 -16.987  -6.003
   12    H    LEU   2           HN       LEU   2  -9.736 -16.300  -4.317
   13    HA   LEU   2           HA       LEU   2 -10.485 -18.707  -2.790
   14    HB2  LEU   2           HB2      LEU   2  -9.539 -18.825  -5.256
   15    HB3  LEU   2           HB1      LEU   2  -8.006 -18.505  -4.474
   16    HG   LEU   2           HG       LEU   2  -9.780 -20.846  -3.776
   17   HD11  LEU   2          HD11      LEU   2  -7.398 -20.703  -5.615
   18   HD12  LEU   2          HD12      LEU   2  -9.064 -21.057  -6.073
   19   HD13  LEU   2          HD13      LEU   2  -8.165 -22.190  -5.063
   20   HD21  LEU   2          HD21      LEU   2  -8.199 -20.124  -2.019
   21   HD22  LEU   2          HD22      LEU   2  -6.872 -20.327  -3.163
   22   HD23  LEU   2          HD23      LEU   2  -7.824 -21.723  -2.662
   23    H    LYS   3           HN       LYS   3  -7.541 -16.837  -3.567
   24    HA   LYS   3           HA       LYS   3  -6.988 -16.487  -0.769
   25    HB2  LYS   3           HB2      LYS   3  -5.135 -16.699  -2.380
   26    HB3  LYS   3           HB1      LYS   3  -5.698 -15.267  -3.230
   27    HG2  LYS   3           HG2      LYS   3  -5.267 -13.937  -1.191
   28    HG3  LYS   3           HG1      LYS   3  -4.607 -15.381  -0.427
   29    HD2  LYS   3           HD2      LYS   3  -3.541 -14.296  -3.020
   30    HD3  LYS   3           HD1      LYS   3  -2.937 -13.760  -1.453
   31    HE2  LYS   3           HE2      LYS   3  -2.397 -16.112  -0.908
   32    HE3  LYS   3           HE1      LYS   3  -2.911 -16.574  -2.531
   33    HZ1  LYS   3           HZ1      LYS   3  -1.173 -15.207  -3.463
   34    HZ2  LYS   3           HZ2      LYS   3  -0.501 -16.297  -2.355
   35    HZ3  LYS   3           HZ3      LYS   3  -0.710 -14.675  -1.921
   36    H    GLY   4           HN       GLY   4  -6.750 -14.229   0.115
   37    HA2  GLY   4           HA2      GLY   4  -9.185 -12.749  -0.506
   38    HA3  GLY   4           HA1      GLY   4  -8.070 -12.431   0.825
   39    H    LYS   5           HN       LYS   5  -8.722 -10.219  -0.437
   40    HA   LYS   5           HA       LYS   5  -6.605  -9.298  -1.659
   41    HB2  LYS   5           HB2      LYS   5  -8.705 -10.045  -3.669
   42    HB3  LYS   5           HB1      LYS   5  -7.852  -8.523  -3.882
   43    HG2  LYS   5           HG2      LYS   5  -5.712  -9.768  -3.832
   44    HG3  LYS   5           HG1      LYS   5  -6.632 -11.271  -3.756
   45    HD2  LYS   5           HD2      LYS   5  -5.970 -10.875  -6.033
   46    HD3  LYS   5           HD1      LYS   5  -7.715 -10.657  -5.900
   47    HE2  LYS   5           HE2      LYS   5  -6.692  -8.919  -7.287
   48    HE3  LYS   5           HE1      LYS   5  -7.433  -8.244  -5.838
   49    HZ1  LYS   5           HZ1      LYS   5  -5.249  -7.276  -6.320
   50    HZ2  LYS   5           HZ2      LYS   5  -4.528  -8.793  -6.152
   51    HZ3  LYS   5           HZ3      LYS   5  -5.267  -8.055  -4.824
   52    H    ARG   6           HN       ARG   6  -7.609  -8.565   0.319
   53    HA   ARG   6           HA       ARG   6  -7.753  -5.807   0.048
   54    HB2  ARG   6           HB2      ARG   6 -10.230  -7.026   1.295
   55    HB3  ARG   6           HB1      ARG   6  -9.724  -5.354   1.390
   56    HG2  ARG   6           HG2      ARG   6  -9.955  -5.181  -1.051
   57    HG3  ARG   6           HG1      ARG   6 -10.665  -6.789  -1.023
   58    HD2  ARG   6           HD2      ARG   6 -12.427  -6.023   0.446
   59    HD3  ARG   6           HD1      ARG   6 -11.687  -4.417   0.497
   60    HE   ARG   6           HE       ARG   6 -13.346  -5.502  -1.583
   61   HH11  ARG   6          HH11      ARG   6 -10.790  -3.212  -0.905
   62   HH12  ARG   6          HH12      ARG   6 -11.166  -2.188  -2.248
   63   HH21  ARG   6          HH21      ARG   6 -13.863  -4.140  -3.360
   64   HH22  ARG   6          HH22      ARG   6 -12.924  -2.715  -3.645
   65    H    LEU   7           HN       LEU   7  -6.112  -5.654   1.348
   66    HA   LEU   7           HA       LEU   7  -6.284  -7.357   3.622
   67    HB2  LEU   7           HB2      LEU   7  -3.705  -6.150   2.849
   68    HB3  LEU   7           HB1      LEU   7  -4.044  -7.734   3.521
   69    HG   LEU   7           HG       LEU   7  -4.509  -6.826   0.749
   70   HD11  LEU   7          HD11      LEU   7  -2.648  -8.913   1.840
   71   HD12  LEU   7          HD12      LEU   7  -2.175  -7.333   1.213
   72   HD13  LEU   7          HD13      LEU   7  -2.862  -8.542   0.129
   73   HD21  LEU   7          HD21      LEU   7  -5.170  -9.124   0.221
   74   HD22  LEU   7          HD22      LEU   7  -6.317  -8.169   1.181
   75   HD23  LEU   7          HD23      LEU   7  -5.298  -9.396   1.962
   76    H    PHE   8           HN       PHE   8  -4.439  -6.341   5.315
   77    HA   PHE   8           HA       PHE   8  -5.862  -3.842   6.069
   78    HB2  PHE   8           HB2      PHE   8  -4.348  -5.695   7.944
   79    HB3  PHE   8           HB1      PHE   8  -5.075  -4.156   8.390
   80    HD1  PHE   8           HD1      PHE   8  -6.465  -7.040   6.440
   81    HD2  PHE   8           HD2      PHE   8  -6.687  -4.619   9.931
   82    HE1  PHE   8           HE1      PHE   8  -8.483  -8.256   7.152
   83    HE2  PHE   8           HE2      PHE   8  -8.708  -5.824  10.643
   84    HZ   PHE   8           HZ       PHE   8  -9.607  -7.648   9.255
   85    H    ALA   9           HN       ALA   9  -4.482  -2.417   4.954
   86    HA   ALA   9           HA       ALA   9  -1.620  -3.020   5.222
   87    HB1  ALA   9           HB1      ALA   9  -2.934  -1.371   3.080
   88    HB2  ALA   9           HB2      ALA   9  -2.391  -3.040   2.903
   89    HB3  ALA   9           HB3      ALA   9  -1.218  -1.758   3.211
   90    H    ILE  10           HN       ILE  10  -0.675  -1.856   6.631
   91    HA   ILE  10           HA       ILE  10  -1.571   0.903   7.109
   92    HB   ILE  10           HB       ILE  10   0.178  -0.776   8.924
   93   HG12  ILE  10          HG12      ILE  10  -2.711   0.058   9.287
   94   HG13  ILE  10          HG11      ILE  10  -2.183  -1.563   8.849
   95   HG21  ILE  10          HG21      ILE  10  -0.999   1.983   9.210
   96   HG22  ILE  10          HG22      ILE  10   0.708   1.552   9.102
   97   HG23  ILE  10          HG23      ILE  10  -0.229   1.092  10.522
   98   HD11  ILE  10          HD11      ILE  10  -1.009  -1.751  10.983
   99   HD12  ILE  10          HD12      ILE  10  -2.729  -1.425  11.206
  100   HD13  ILE  10          HD13      ILE  10  -1.550  -0.129  11.421
  101    H    LEU  11           HN       LEU  11  -0.366   2.077   5.660
  102    HA   LEU  11           HA       LEU  11   2.352   1.191   5.180
  103    HB2  LEU  11           HB2      LEU  11   2.199   2.206   2.915
  104    HB3  LEU  11           HB1      LEU  11   1.222   0.768   3.118
  105    HG   LEU  11           HG       LEU  11  -0.073   3.440   3.478
  106   HD11  LEU  11          HD11      LEU  11   0.476   2.147   0.809
  107   HD12  LEU  11          HD12      LEU  11   1.226   3.628   1.400
  108   HD13  LEU  11          HD13      LEU  11  -0.511   3.581   1.093
  109   HD21  LEU  11          HD21      LEU  11  -1.992   2.234   2.551
  110   HD22  LEU  11          HD22      LEU  11  -1.331   1.398   3.957
  111   HD23  LEU  11          HD23      LEU  11  -0.991   0.799   2.333
  112    H    ARG  12           HN       ARG  12   3.789   2.645   5.570
  113    HA   ARG  12           HA       ARG  12   3.102   5.505   5.679
  114    HB2  ARG  12           HB2      ARG  12   4.356   3.956   7.955
  115    HB3  ARG  12           HB1      ARG  12   4.334   5.715   7.849
  116    HG2  ARG  12           HG2      ARG  12   1.802   5.504   7.642
  117    HG3  ARG  12           HG1      ARG  12   2.018   3.835   8.162
  118    HD2  ARG  12           HD2      ARG  12   3.110   6.151   9.706
  119    HD3  ARG  12           HD1      ARG  12   1.467   5.562   9.946
  120    HE   ARG  12           HE       ARG  12   3.931   4.053  10.513
  121   HH11  ARG  12          HH11      ARG  12   0.461   4.471  10.813
  122   HH12  ARG  12          HH12      ARG  12   0.312   3.343  12.124
  123   HH21  ARG  12          HH21      ARG  12   3.728   2.537  12.236
  124   HH22  ARG  12          HH22      ARG  12   2.169   2.237  12.926
  125    H    LEU  13           HN       LEU  13   5.318   6.796   5.895
  126    HA   LEU  13           HA       LEU  13   7.079   5.401   4.078
  127    HB2  LEU  13           HB2      LEU  13   8.022   7.900   3.810
  128    HB3  LEU  13           HB1      LEU  13   6.924   7.142   2.691
  129    HG   LEU  13           HG       LEU  13   6.038   9.038   4.864
  130   HD11  LEU  13          HD11      LEU  13   5.997  10.720   3.147
  131   HD12  LEU  13          HD12      LEU  13   6.479   9.542   1.925
  132   HD13  LEU  13          HD13      LEU  13   7.613  10.011   3.191
  133   HD21  LEU  13          HD21      LEU  13   4.629   8.106   2.349
  134   HD22  LEU  13          HD22      LEU  13   3.970   9.209   3.573
  135   HD23  LEU  13          HD23      LEU  13   4.276   7.515   3.971
  136    H    ALA  14           HN       ALA  14   8.990   5.052   4.738
  137    HA   ALA  14           HA       ALA  14   9.547   4.775   7.356
  138    HB1  ALA  14           HB1      ALA  14  11.807   4.143   6.737
  139    HB2  ALA  14           HB2      ALA  14  11.613   4.933   5.172
  140    HB3  ALA  14           HB3      ALA  14  10.636   3.521   5.574
  141    H    ASP  15           HN       ASP  15   9.738   7.733   5.838
  142    HA   ASP  15           HA       ASP  15  11.978   8.900   7.224
  143    HB2  ASP  15           HB2      ASP  15  11.466  10.028   5.246
  144    HB3  ASP  15           HB1      ASP  15   9.727   9.899   5.504
  145    H    GLY  16           HN       GLY  16   8.712   8.131   7.892
  146    HA2  GLY  16           HA2      GLY  16   8.082   8.133  10.325
  147    HA3  GLY  16           HA1      GLY  16   8.772   9.763  10.353
  148    H    SER  17           HN       SER  17   7.741   9.829   7.480
  149    HA   SER  17           HA       SER  17   5.297  11.145   7.984
  150    HB2  SER  17           HB2      SER  17   5.558  10.837   5.237
  151    HB3  SER  17           HB1      SER  17   6.211  12.161   6.197
  152    HG   SER  17           HG       SER  17   8.173  11.316   6.124
  153    H    GLN  18           HN       GLN  18   3.643  10.642   5.923
  154    HA   GLN  18           HA       GLN  18   2.809   7.854   6.207
  155    HB2  GLN  18           HB2      GLN  18   1.580  10.046   7.540
  156    HB3  GLN  18           HB1      GLN  18   0.496   9.486   6.282
  157    HG2  GLN  18           HG2      GLN  18   0.310   7.373   7.270
  158    HG3  GLN  18           HG1      GLN  18   1.749   7.613   8.265
  159   HE21  GLN  18          HE21      GLN  18   0.592   7.099  10.143
  160   HE22  GLN  18          HE22      GLN  18  -0.537   8.209  10.848
  161    HA   PRO  19           HA       PRO  19   0.983   8.985   2.246
  162    HB2  PRO  19           HB2      PRO  19  -0.056   6.375   1.917
  163    HB3  PRO  19           HB1      PRO  19   1.362   7.035   1.101
  164    HG2  PRO  19           HG2      PRO  19   1.322   4.981   3.028
  165    HG3  PRO  19           HG1      PRO  19   2.747   5.807   2.384
  166    HD2  PRO  19           HD2      PRO  19   1.357   6.178   4.963
  167    HD3  PRO  19           HD1      PRO  19   3.038   6.531   4.520
  168    HA   PRO  20           HA       PRO  20  -2.288   9.140   5.191
  169    HB2  PRO  20           HB2      PRO  20  -2.453  11.745   5.234
  170    HB3  PRO  20           HB1      PRO  20  -0.889  11.012   5.556
  171    HG2  PRO  20           HG2      PRO  20  -1.879  12.353   3.082
  172    HG3  PRO  20           HG1      PRO  20  -0.271  12.406   3.832
  173    HD2  PRO  20           HD2      PRO  20  -1.174  10.655   1.772
  174    HD3  PRO  20           HD1      PRO  20   0.401  10.627   2.605
  175    H    PHE  21           HN       PHE  21  -4.498  10.366   5.230
  176    HA   PHE  21           HA       PHE  21  -6.268   8.960   3.907
  177    HB2  PHE  21           HB2      PHE  21  -6.961  10.497   5.562
  178    HB3  PHE  21           HB1      PHE  21  -6.500  11.843   4.555
  179    HD1  PHE  21           HD2      PHE  21  -8.833   8.993   4.715
  180    HD2  PHE  21           HD1      PHE  21  -8.099  12.890   3.187
  181    HE1  PHE  21           HE2      PHE  21 -11.130   9.071   3.837
  182    HE2  PHE  21           HE1      PHE  21 -10.395  12.981   2.310
  183    HZ   PHE  21           HZ       PHE  21 -11.915  11.070   2.634
  184    H    GLY  22           HN       GLY  22  -5.816   8.334   1.847
  185    HA2  GLY  22           HA2      GLY  22  -7.005   8.806  -0.335
  186    HA3  GLY  22           HA1      GLY  22  -6.146  10.333  -0.249
  187    H    ALA  23           HN       ALA  23  -4.126   8.190   1.196
  188    HA   ALA  23           HA       ALA  23  -2.350   7.889  -0.707
  189    HB1  ALA  23           HB1      ALA  23  -1.373   5.994   0.389
  190    HB2  ALA  23           HB2      ALA  23  -2.875   5.717   1.268
  191    HB3  ALA  23           HB3      ALA  23  -1.933   7.177   1.571
  192    H    SER  24           HN       SER  24  -3.257   7.633  -2.643
  193    HA   SER  24           HA       SER  24  -4.661   5.404  -3.542
  194    HB2  SER  24           HB2      SER  24  -3.306   7.751  -4.680
  195    HB3  SER  24           HB1      SER  24  -3.493   6.408  -5.810
  196    HG   SER  24           HG       SER  24  -5.491   7.831  -4.372
  197    H    VAL  25           HN       VAL  25  -3.779   3.352  -3.369
  198    HA   VAL  25           HA       VAL  25  -0.984   3.065  -4.239
  199    HB   VAL  25           HB       VAL  25  -0.773   1.089  -2.893
  200   HG11  VAL  25          HG11      VAL  25  -0.404   3.249  -1.788
  201   HG12  VAL  25          HG12      VAL  25  -1.005   2.035  -0.663
  202   HG13  VAL  25          HG13      VAL  25  -2.093   3.273  -1.286
  203   HG21  VAL  25          HG21      VAL  25  -3.654   1.491  -2.115
  204   HG22  VAL  25          HG22      VAL  25  -2.551   0.316  -1.399
  205   HG23  VAL  25          HG23      VAL  25  -3.011   0.174  -3.097
  206    H    THR  26           HN       THR  26  -0.716   2.313  -6.203
  207    HA   THR  26           HA       THR  26  -2.207  -0.079  -7.019
  208    HB   THR  26           HB       THR  26  -3.699   1.265  -8.174
  209    HG1  THR  26           HG1      THR  26  -3.270   0.869 -10.219
  210   HG21  THR  26          HG21      THR  26  -3.205   3.400  -9.223
  211   HG22  THR  26          HG22      THR  26  -1.493   3.211  -8.849
  212   HG23  THR  26          HG23      THR  26  -2.660   3.420  -7.545
  213    H    SER  27           HN       SER  27  -0.864  -1.412  -8.262
  214    HA   SER  27           HA       SER  27   1.926  -0.970  -7.877
  215    HB2  SER  27           HB2      SER  27   0.492  -2.945  -9.641
  216    HB3  SER  27           HB1      SER  27   2.185  -3.044  -9.142
  217    HG   SER  27           HG       SER  27   1.430  -4.121  -7.514
  218    H    GLU  28           HN       GLU  28   3.372  -1.388 -10.103
  219    HA   GLU  28           HA       GLU  28   3.156   1.181 -11.399
  220    HB2  GLU  28           HB2      GLU  28   5.206   0.791 -12.297
  221    HB3  GLU  28           HB1      GLU  28   5.294  -0.204 -10.853
  222    HG2  GLU  28           HG2      GLU  28   4.601  -1.226 -13.599
  223    HG3  GLU  28           HG1      GLU  28   6.199  -1.255 -12.883
  224    H    LYS  29           HN       LYS  29   2.218  -2.123 -12.174
  225    HA   LYS  29           HA       LYS  29   1.280  -1.206 -14.734
  226    HB2  LYS  29           HB2      LYS  29   0.380  -3.807 -14.479
  227    HB3  LYS  29           HB1      LYS  29   1.882  -3.301 -15.234
  228    HG2  LYS  29           HG2      LYS  29   2.688  -4.856 -13.799
  229    HG3  LYS  29           HG1      LYS  29   2.762  -3.444 -12.747
  230    HD2  LYS  29           HD2      LYS  29   0.359  -4.172 -12.064
  231    HD3  LYS  29           HD1      LYS  29   0.842  -5.734 -12.727
  232    HE2  LYS  29           HE2      LYS  29   1.884  -4.270 -10.346
  233    HE3  LYS  29           HE1      LYS  29   1.431  -5.964 -10.509
  234    HZ1  LYS  29           HZ1      LYS  29   3.906  -4.655 -11.517
  235    HZ2  LYS  29           HZ2      LYS  29   3.452  -6.237 -11.918
  236    HZ3  LYS  29           HZ3      LYS  29   3.784  -5.841 -10.302
  237    H    GLY  30           HN       GLY  30  -0.223  -1.307 -11.659
  238    HA2  GLY  30           HA2      GLY  30  -2.131   0.051 -11.415
  239    HA3  GLY  30           HA1      GLY  30  -2.647  -0.479 -13.000
  240    H    ARG  31           HN       ARG  31  -1.211  -2.107 -10.281
  241    HA   ARG  31           HA       ARG  31  -3.525  -3.801 -10.311
  242    HB2  ARG  31           HB2      ARG  31  -0.776  -4.474  -9.328
  243    HB3  ARG  31           HB1      ARG  31  -2.198  -5.321  -8.719
  244    HG2  ARG  31           HG2      ARG  31  -1.450  -5.131 -11.633
  245    HG3  ARG  31           HG1      ARG  31  -1.040  -6.487 -10.589
  246    HD2  ARG  31           HD2      ARG  31  -3.017  -6.975 -11.949
  247    HD3  ARG  31           HD1      ARG  31  -3.413  -6.954 -10.234
  248    HE   ARG  31           HE       ARG  31  -4.297  -4.634 -10.685
  249   HH11  ARG  31          HH11      ARG  31  -4.193  -7.045 -13.226
  250   HH12  ARG  31          HH12      ARG  31  -5.509  -6.347 -14.105
  251   HH21  ARG  31          HH21      ARG  31  -6.027  -3.720 -11.806
  252   HH22  ARG  31          HH22      ARG  31  -6.557  -4.443 -13.300
  253    H    GLU  32           HN       GLU  32  -4.866  -2.707  -9.216
  254    HA   GLU  32           HA       GLU  32  -3.827  -0.798  -7.355
  255    HB2  GLU  32           HB2      GLU  32  -6.676  -0.761  -8.129
  256    HB3  GLU  32           HB1      GLU  32  -5.491   0.543  -8.093
  257    HG2  GLU  32           HG2      GLU  32  -5.695   0.359 -10.351
  258    HG3  GLU  32           HG1      GLU  32  -4.457  -0.852 -10.088
  259    H    LEU  33           HN       LEU  33  -3.924  -1.003  -5.291
  260    HA   LEU  33           HA       LEU  33  -5.343  -3.309  -4.149
  261    HB2  LEU  33           HB2      LEU  33  -3.018  -1.614  -3.370
  262    HB3  LEU  33           HB1      LEU  33  -3.937  -2.421  -2.117
  263    HG   LEU  33           HG       LEU  33  -3.359  -4.572  -2.921
  264   HD11  LEU  33          HD11      LEU  33  -2.045  -4.924  -4.981
  265   HD12  LEU  33          HD12      LEU  33  -2.240  -3.214  -5.371
  266   HD13  LEU  33          HD13      LEU  33  -3.651  -4.270  -5.300
  267   HD21  LEU  33          HD21      LEU  33  -0.952  -4.534  -2.835
  268   HD22  LEU  33          HD22      LEU  33  -1.617  -3.365  -1.694
  269   HD23  LEU  33          HD23      LEU  33  -0.938  -2.815  -3.227
  270    H    GLY  34           HN       GLY  34  -5.034   0.293  -3.820
  271    HA2  GLY  34           HA2      GLY  34  -7.544   0.761  -3.100
  272    HA3  GLY  34           HA1      GLY  34  -6.908   0.210  -1.556
  273    H    MET  35           HN       MET  35  -7.234   2.130  -0.482
  274    HA   MET  35           HA       MET  35  -5.577   4.382  -1.075
  275    HB2  MET  35           HB2      MET  35  -8.561   4.878  -1.111
  276    HB3  MET  35           HB1      MET  35  -7.270   6.043  -1.415
  277    HG2  MET  35           HG2      MET  35  -6.867   5.280  -3.504
  278    HG3  MET  35           HG1      MET  35  -7.411   3.636  -3.096
  279    HE1  MET  35           HE1      MET  35 -10.295   7.183  -3.869
  280    HE2  MET  35           HE2      MET  35  -8.539   7.335  -3.848
  281    HE3  MET  35           HE3      MET  35  -9.409   6.980  -2.357
  282    H    VAL  36           HN       VAL  36  -5.142   5.444   0.846
  283    HA   VAL  36           HA       VAL  36  -6.145   3.967   3.146
  284    HB   VAL  36           HB       VAL  36  -4.605   5.115   4.503
  285   HG11  VAL  36          HG11      VAL  36  -3.600   3.406   3.218
  286   HG12  VAL  36          HG12      VAL  36  -2.463   4.747   3.354
  287   HG13  VAL  36          HG13      VAL  36  -3.367   4.505   1.861
  288   HG21  VAL  36          HG21      VAL  36  -4.999   7.386   3.685
  289   HG22  VAL  36          HG22      VAL  36  -3.981   7.022   2.294
  290   HG23  VAL  36          HG23      VAL  36  -3.289   7.014   3.921
  291    H    ALA  37           HN       ALA  37  -7.598   4.660   4.673
  292    HA   ALA  37           HA       ALA  37  -8.701   7.329   4.214
  293    HB1  ALA  37           HB1      ALA  37 -10.267   5.743   3.193
  294    HB2  ALA  37           HB2      ALA  37 -10.974   6.593   4.567
  295    HB3  ALA  37           HB3      ALA  37 -10.433   4.923   4.746
  296    H    ASP  38           HN       ASP  38  -6.844   6.994   5.928
  297    HA   ASP  38           HA       ASP  38  -7.368   8.306   8.140
  298    HB2  ASP  38           HB2      ASP  38  -9.022   6.625   8.928
  299    HB3  ASP  38           HB1      ASP  38  -7.773   5.383   8.883
  300    H    GLU  39           HN       GLU  39  -5.518   8.305   9.597
  301    HA   GLU  39           HA       GLU  39  -3.304   8.934   8.971
  302    HB2  GLU  39           HB2      GLU  39  -1.920   7.374  10.197
  303    HB3  GLU  39           HB1      GLU  39  -3.428   7.670  11.047
  304    HG2  GLU  39           HG2      GLU  39  -3.967   5.507  11.041
  305    HG3  GLU  39           HG1      GLU  39  -3.519   5.304   9.344
  306    H    GLY  40           HN       GLY  40  -2.342   5.657   8.463
  307    HA2  GLY  40           HA2      GLY  40  -2.363   6.054   5.540
  308    HA3  GLY  40           HA1      GLY  40  -0.940   5.456   6.397
  309    H    LEU  41           HN       LEU  41  -4.365   4.604   6.898
  310    HA   LEU  41           HA       LEU  41  -3.622   1.839   6.266
  311    HB2  LEU  41           HB2      LEU  41  -4.607   2.752   8.547
  312    HB3  LEU  41           HB1      LEU  41  -6.136   2.564   7.705
  313    HG   LEU  41           HG       LEU  41  -4.148   0.321   8.082
  314   HD11  LEU  41          HD11      LEU  41  -5.037   1.170  10.234
  315   HD12  LEU  41          HD12      LEU  41  -5.538  -0.479   9.866
  316   HD13  LEU  41          HD13      LEU  41  -6.670   0.853   9.643
  317   HD21  LEU  41          HD21      LEU  41  -7.028   0.366   7.189
  318   HD22  LEU  41          HD22      LEU  41  -6.097  -1.092   7.531
  319   HD23  LEU  41          HD23      LEU  41  -5.624  -0.034   6.201
  320    H    ALA  42           HN       ALA  42  -4.379   0.917   4.500
  321    HA   ALA  42           HA       ALA  42  -7.036   1.684   3.536
  322    HB1  ALA  42           HB1      ALA  42  -5.463   2.765   1.958
  323    HB2  ALA  42           HB2      ALA  42  -6.403   1.498   1.169
  324    HB3  ALA  42           HB3      ALA  42  -4.725   1.198   1.640
  325    H    TRP  43           HN       TRP  43  -8.230  -0.156   2.829
  326    HA   TRP  43           HA       TRP  43  -7.152  -2.649   3.509
  327    HB2  TRP  43           HB2      TRP  43  -9.646  -2.083   1.908
  328    HB3  TRP  43           HB1      TRP  43  -9.208  -3.617   2.661
  329    HD1  TRP  43           HD1      TRP  43  -9.930   0.019   3.730
  330    HE1  TRP  43           HE1      TRP  43 -10.280  -0.001   6.275
  331    HE3  TRP  43           HE3      TRP  43  -9.103  -4.925   4.578
  332    HZ2  TRP  43           HZ2      TRP  43 -10.169  -1.876   8.273
  333    HZ3  TRP  43           HZ3      TRP  43  -9.273  -5.763   6.882
  334    HH2  TRP  43           HH2      TRP  43  -9.822  -4.254   8.718
  335    H    LEU  44           HN       LEU  44  -5.400  -3.291   2.160
  336    HA   LEU  44           HA       LEU  44  -5.396  -2.286  -0.575
  337    HB2  LEU  44           HB2      LEU  44  -3.351  -3.259   1.301
  338    HB3  LEU  44           HB1      LEU  44  -3.125  -3.787  -0.364
  339    HG   LEU  44           HG       LEU  44  -3.131  -1.463  -1.122
  340   HD11  LEU  44          HD11      LEU  44  -3.115   0.376   0.459
  341   HD12  LEU  44          HD12      LEU  44  -3.384  -0.751   1.789
  342   HD13  LEU  44          HD13      LEU  44  -4.626  -0.530   0.554
  343   HD21  LEU  44          HD21      LEU  44  -1.013  -2.496  -0.470
  344   HD22  LEU  44          HD22      LEU  44  -1.229  -1.885   1.169
  345   HD23  LEU  44          HD23      LEU  44  -1.024  -0.759  -0.172
  346    H    SER  45           HN       SER  45  -6.979  -3.499  -1.522
  347    HA   SER  45           HA       SER  45  -7.510  -6.027  -1.453
  348    HB2  SER  45           HB2      SER  45  -7.340  -4.650  -4.115
  349    HB3  SER  45           HB1      SER  45  -8.501  -5.880  -3.603
  350    HG   SER  45           HG       SER  45  -8.375  -3.154  -2.987
  351    H    GLY  46           HN       GLY  46  -5.555  -7.136  -0.868
  352    HA2  GLY  46           HA2      GLY  46  -4.163  -8.838  -1.428
  353    HA3  GLY  46           HA1      GLY  46  -4.919  -8.939  -3.003
  354    H    VAL  47           HN       VAL  47  -2.206  -7.916  -1.192
  355    HA   VAL  47           HA       VAL  47  -1.110  -6.136  -3.203
  356    HB   VAL  47           HB       VAL  47   0.438  -7.384  -0.942
  357   HG11  VAL  47          HG11      VAL  47   1.719  -5.274  -1.123
  358   HG12  VAL  47          HG12      VAL  47   0.715  -4.826  -2.501
  359   HG13  VAL  47          HG13      VAL  47   1.749  -6.250  -2.591
  360   HG21  VAL  47          HG21      VAL  47  -0.093  -5.372   0.411
  361   HG22  VAL  47          HG22      VAL  47  -1.479  -6.430   0.148
  362   HG23  VAL  47          HG23      VAL  47  -1.320  -4.938  -0.781
  363    H    THR  48           HN       THR  48   0.378  -6.763  -4.760
  364    HA   THR  48           HA       THR  48   1.071  -9.513  -5.042
  365    HB   THR  48           HB       THR  48   2.646  -7.381  -6.391
  366    HG1  THR  48           HG1      THR  48   0.992  -6.508  -7.351
  367   HG21  THR  48          HG21      THR  48   1.327  -9.895  -7.412
  368   HG22  THR  48          HG22      THR  48   3.011  -9.756  -6.906
  369   HG23  THR  48          HG23      THR  48   2.438  -8.861  -8.314
  370    HA   PRO  49           HA       PRO  49   4.373  -9.119  -2.040
  371    HB2  PRO  49           HB2      PRO  49   5.220 -11.675  -2.145
  372    HB3  PRO  49           HB1      PRO  49   3.698 -11.226  -1.362
  373    HG2  PRO  49           HG2      PRO  49   4.149 -12.293  -4.134
  374    HG3  PRO  49           HG1      PRO  49   2.969 -12.829  -2.914
  375    HD2  PRO  49           HD2      PRO  49   2.280 -11.156  -4.918
  376    HD3  PRO  49           HD1      PRO  49   1.572 -11.017  -3.293
  377    H    GLY  50           HN       GLY  50   6.174  -8.015  -2.682
  378    HA2  GLY  50           HA2      GLY  50   8.406  -8.308  -3.450
  379    HA3  GLY  50           HA1      GLY  50   7.802  -9.316  -4.758
  380    H    GLU  51           HN       GLU  51   6.858  -5.940  -3.762
  381    HA   GLU  51           HA       GLU  51   7.949  -4.869  -6.053
  382    HB2  GLU  51           HB2      GLU  51   6.137  -4.492  -7.605
  383    HB3  GLU  51           HB1      GLU  51   6.405  -6.196  -7.339
  384    HG2  GLU  51           HG2      GLU  51   4.470  -6.336  -5.919
  385    HG3  GLU  51           HG1      GLU  51   4.227  -4.599  -6.035
  386    H    THR  52           HN       THR  52   6.364  -2.861  -6.880
  387    HA   THR  52           HA       THR  52   6.161  -1.322  -4.396
  388    HB   THR  52           HB       THR  52   6.942   0.672  -5.763
  389    HG1  THR  52           HG1      THR  52   6.736  -0.619  -7.798
  390   HG21  THR  52          HG21      THR  52   8.916  -1.558  -5.253
  391   HG22  THR  52          HG22      THR  52   8.362  -0.371  -4.072
  392   HG23  THR  52          HG23      THR  52   9.321   0.148  -5.458
  393    H    LEU  53           HN       LEU  53   4.019  -0.776  -4.175
  394    HA   LEU  53           HA       LEU  53   2.326  -0.287  -6.313
  395    HB2  LEU  53           HB2      LEU  53   2.088   0.767  -3.493
  396    HB3  LEU  53           HB1      LEU  53   0.805   0.591  -4.674
  397    HG   LEU  53           HG       LEU  53   0.659  -1.081  -2.956
  398   HD11  LEU  53          HD11      LEU  53   0.526  -3.060  -4.404
  399   HD12  LEU  53          HD12      LEU  53   1.429  -2.186  -5.641
  400   HD13  LEU  53          HD13      LEU  53  -0.173  -1.625  -5.158
  401   HD21  LEU  53          HD21      LEU  53   2.283  -2.780  -2.629
  402   HD22  LEU  53          HD22      LEU  53   3.051  -1.195  -2.449
  403   HD23  LEU  53          HD23      LEU  53   3.272  -2.126  -3.935
  404    H    SER  54           HN       SER  54   1.809   1.548  -7.371
  405    HA   SER  54           HA       SER  54   3.346   3.906  -6.924
  406    HB2  SER  54           HB2      SER  54   0.937   3.686  -8.705
  407    HB3  SER  54           HB1      SER  54   2.314   4.780  -8.869
  408    HG   SER  54           HG       SER  54   2.006   2.233  -9.772
  409    H    VAL  55           HN       VAL  55   2.947   5.104  -5.154
  410    HA   VAL  55           HA       VAL  55   0.181   5.031  -4.182
  411    HB   VAL  55           HB       VAL  55   2.693   5.587  -2.602
  412   HG11  VAL  55          HG11      VAL  55   1.183   5.323  -0.642
  413   HG12  VAL  55          HG12      VAL  55  -0.187   5.296  -1.754
  414   HG13  VAL  55          HG13      VAL  55   0.817   6.740  -1.626
  415   HG21  VAL  55          HG21      VAL  55   2.142   3.373  -1.555
  416   HG22  VAL  55          HG22      VAL  55   2.746   3.319  -3.212
  417   HG23  VAL  55          HG23      VAL  55   1.024   3.117  -2.895
  418    H    ASN  56           HN       ASN  56  -0.773   6.690  -5.107
  419    HA   ASN  56           HA       ASN  56   0.473   9.265  -5.510
  420    HB2  ASN  56           HB2      ASN  56  -2.327   8.267  -6.026
  421    HB3  ASN  56           HB1      ASN  56  -1.832   9.933  -6.302
  422   HD21  ASN  56          HD21      ASN  56  -1.571   6.642  -7.363
  423   HD22  ASN  56          HD22      ASN  56  -0.838   6.998  -8.902
  424    H    TRP  57           HN       TRP  57   0.113  11.078  -4.344
  425    HA   TRP  57           HA       TRP  57  -1.653  11.085  -2.133
  426    HB2  TRP  57           HB2      TRP  57  -0.104   9.912  -0.840
  427    HB3  TRP  57           HB1      TRP  57   1.271  10.600  -1.690
  428    HD1  TRP  57           HD1      TRP  57  -1.320  12.935  -0.351
  429    HE1  TRP  57           HE1      TRP  57  -0.317  14.388   1.468
  430    HE3  TRP  57           HE3      TRP  57   3.019  10.349   0.428
  431    HZ2  TRP  57           HZ2      TRP  57   1.926  14.452   2.944
  432    HZ3  TRP  57           HZ3      TRP  57   4.533  11.231   2.167
  433    HH2  TRP  57           HH2      TRP  57   4.000  13.232   3.426
  434    H    ASP  58           HN       ASP  58  -2.198  13.135  -1.561
  435    HA   ASP  58           HA       ASP  58  -2.563  15.093  -3.113
  436    HB2  ASP  58           HB2      ASP  58  -2.534  16.783  -1.404
  437    HB3  ASP  58           HB1      ASP  58  -3.129  15.264  -0.774
  438    H    GLY  59           HN       GLY  59   0.622  15.553  -1.391
  439    HA2  GLY  59           HA2      GLY  59   1.411  17.577  -3.063
  440    HA3  GLY  59           HA1      GLY  59   2.554  16.456  -2.333
  441    H    LYS  60           HN       LYS  60   1.248  14.266  -4.086
  442    HA   LYS  60           HA       LYS  60   1.894  14.581  -6.777
  443    HB2  LYS  60           HB2      LYS  60   4.210  13.737  -6.794
  444    HB3  LYS  60           HB1      LYS  60   4.088  15.298  -5.991
  445    HG2  LYS  60           HG2      LYS  60   3.721  13.580  -3.890
  446    HG3  LYS  60           HG1      LYS  60   4.851  12.680  -4.939
  447    HD2  LYS  60           HD2      LYS  60   6.266  14.782  -5.073
  448    HD3  LYS  60           HD1      LYS  60   5.259  15.430  -3.777
  449    HE2  LYS  60           HE2      LYS  60   5.891  13.545  -2.347
  450    HE3  LYS  60           HE1      LYS  60   6.897  12.901  -3.642
  451    HZ1  LYS  60           HZ1      LYS  60   8.193  14.127  -2.007
  452    HZ2  LYS  60           HZ2      LYS  60   7.292  15.524  -2.304
  453    HZ3  LYS  60           HZ3      LYS  60   8.276  14.866  -3.526
  454    H    ILE  61           HN       ILE  61   3.672  12.176  -6.625
  455    HA   ILE  61           HA       ILE  61   1.904  10.207  -5.492
  456    HB   ILE  61           HB       ILE  61   1.919  10.036  -7.980
  457   HG12  ILE  61          HG12      ILE  61   3.100   7.699  -6.479
  458   HG13  ILE  61          HG11      ILE  61   1.375   8.082  -6.582
  459   HG21  ILE  61          HG21      ILE  61   3.813   9.200  -9.186
  460   HG22  ILE  61          HG22      ILE  61   4.769   9.150  -7.706
  461   HG23  ILE  61          HG23      ILE  61   4.251  10.702  -8.369
  462   HD11  ILE  61          HD11      ILE  61   3.176   7.239  -8.847
  463   HD12  ILE  61          HD12      ILE  61   1.483   7.709  -9.010
  464   HD13  ILE  61          HD13      ILE  61   1.913   6.287  -8.067
  465    H    GLN  62           HN       GLN  62   3.133   9.524  -3.580
  466    HA   GLN  62           HA       GLN  62   5.592  11.128  -3.726
  467    HB2  GLN  62           HB2      GLN  62   4.186  10.668  -1.133
  468    HB3  GLN  62           HB1      GLN  62   5.325  11.913  -1.623
  469    HG2  GLN  62           HG2      GLN  62   3.442  12.590  -3.281
  470    HG3  GLN  62           HG1      GLN  62   2.417  11.748  -2.113
  471   HE21  GLN  62          HE21      GLN  62   1.399  13.693  -1.691
  472   HE22  GLN  62          HE22      GLN  62   2.092  14.893  -0.629
  473    H    CYS  63           HN       CYS  63   4.206   8.136  -2.804
  474    HA   CYS  63           HA       CYS  63   6.930   7.127  -2.532
  475    HB2  CYS  63           HB2      CYS  63   6.205   5.790  -0.580
  476    HB3  CYS  63           HB1      CYS  63   6.177   7.530  -0.282
  477    H    GLN  64           HN       GLN  64   7.035   4.795  -2.675
  478    HA   GLN  64           HA       GLN  64   4.726   3.637  -4.011
  479    HB2  GLN  64           HB2      GLN  64   7.561   3.327  -4.997
  480    HB3  GLN  64           HB1      GLN  64   6.142   2.473  -5.618
  481    HG2  GLN  64           HG2      GLN  64   5.103   4.627  -6.095
  482    HG3  GLN  64           HG1      GLN  64   6.602   5.405  -5.589
  483   HE21  GLN  64          HE21      GLN  64   5.086   3.439  -8.032
  484   HE22  GLN  64          HE22      GLN  64   6.303   3.640  -9.238
  485    H    VAL  65           HN       VAL  65   4.295   1.600  -3.207
  486    HA   VAL  65           HA       VAL  65   5.835   1.377  -0.816
  487    HB   VAL  65           HB       VAL  65   3.075   0.497  -1.447
  488   HG11  VAL  65          HG11      VAL  65   4.190  -1.620  -0.812
  489   HG12  VAL  65          HG12      VAL  65   3.022  -1.093   0.397
  490   HG13  VAL  65          HG13      VAL  65   4.746  -0.859   0.678
  491   HG21  VAL  65          HG21      VAL  65   4.498   1.625   0.934
  492   HG22  VAL  65          HG22      VAL  65   2.771   1.262   0.888
  493   HG23  VAL  65          HG23      VAL  65   3.447   2.491  -0.185
  494    H    ASN  66           HN       ASN  66   7.154  -0.348  -0.379
  495    HA   ASN  66           HA       ASN  66   7.406  -2.183  -2.652
  496    HB2  ASN  66           HB2      ASN  66   9.531  -1.037  -2.202
  497    HB3  ASN  66           HB1      ASN  66   9.462  -1.539  -0.511
  498   HD21  ASN  66          HD21      ASN  66   9.972  -2.583  -3.794
  499   HD22  ASN  66          HD22      ASN  66  10.695  -4.102  -3.407
  500    H    VAL  67           HN       VAL  67   6.886  -4.175  -2.373
  501    HA   VAL  67           HA       VAL  67   6.172  -5.098   0.291
  502    HB   VAL  67           HB       VAL  67   4.977  -5.806  -2.367
  503   HG11  VAL  67          HG11      VAL  67   3.236  -6.932  -1.073
  504   HG12  VAL  67          HG12      VAL  67   4.103  -6.564   0.418
  505   HG13  VAL  67          HG13      VAL  67   4.819  -7.650  -0.774
  506   HG21  VAL  67          HG21      VAL  67   4.510  -3.508  -1.664
  507   HG22  VAL  67          HG22      VAL  67   3.890  -4.108  -0.126
  508   HG23  VAL  67          HG23      VAL  67   3.056  -4.506  -1.629
  509    HA   PRO  68           HA       PRO  68   8.723  -8.666  -0.516
  510    HB2  PRO  68           HB2      PRO  68   8.358  -9.543   2.140
  511    HB3  PRO  68           HB1      PRO  68   9.703  -8.579   1.529
  512    HG2  PRO  68           HG2      PRO  68   7.779  -7.723   3.371
  513    HG3  PRO  68           HG1      PRO  68   8.889  -6.680   2.465
  514    HD2  PRO  68           HD2      PRO  68   6.031  -7.355   1.899
  515    HD3  PRO  68           HD1      PRO  68   6.893  -5.815   1.679
  516    H    GLU  69           HN       GLU  69   8.406 -11.078   0.257
  517    HA   GLU  69           HA       GLU  69   5.997 -11.957  -1.061
  518    HB2  GLU  69           HB2      GLU  69   6.878 -14.190  -0.750
  519    HB3  GLU  69           HB1      GLU  69   8.152 -13.138  -1.346
  520    HG2  GLU  69           HG2      GLU  69   7.790 -14.070   1.498
  521    HG3  GLU  69           HG1      GLU  69   8.995 -14.649   0.352
  522    H    THR  70           HN       THR  70   7.007 -11.429   2.205
  523    HA   THR  70           HA       THR  70   5.405 -13.019   3.618
  524    HB   THR  70           HB       THR  70   5.348 -11.176   5.378
  525    HG1  THR  70           HG1      THR  70   6.174  -9.780   3.165
  526   HG21  THR  70          HG21      THR  70   7.107 -12.844   5.345
  527   HG22  THR  70          HG22      THR  70   7.805 -11.265   5.709
  528   HG23  THR  70          HG23      THR  70   7.971 -11.952   4.093
  529    H    ALA  71           HN       ALA  71   4.046 -10.655   1.548
  530    HA   ALA  71           HA       ALA  71   1.723 -10.172   3.290
  531    HB1  ALA  71           HB1      ALA  71   1.017  -8.525   1.630
  532    HB2  ALA  71           HB2      ALA  71   2.411  -8.924   0.628
  533    HB3  ALA  71           HB3      ALA  71   2.647  -8.178   2.207
  534    H    ILE  72           HN       ILE  72  -0.222 -10.940   2.850
  535    HA   ILE  72           HA       ILE  72  -0.404 -12.878   0.682
  536    HB   ILE  72           HB       ILE  72  -1.145 -13.194   3.575
  537   HG12  ILE  72          HG12      ILE  72   1.225 -13.516   3.108
  538   HG13  ILE  72          HG11      ILE  72   0.471 -15.047   3.536
  539   HG21  ILE  72          HG21      ILE  72  -1.819 -15.522   2.961
  540   HG22  ILE  72          HG22      ILE  72  -1.702 -15.057   1.264
  541   HG23  ILE  72          HG23      ILE  72  -2.884 -14.276   2.314
  542   HD11  ILE  72          HD11      ILE  72   0.360 -15.612   1.134
  543   HD12  ILE  72          HD12      ILE  72   2.005 -15.382   1.724
  544   HD13  ILE  72          HD13      ILE  72   1.225 -14.116   0.775
  545    H    SER  73           HN       SER  73  -2.816 -12.213   3.197
  546    HA   SER  73           HA       SER  73  -4.504 -10.554   1.564
  547    HB2  SER  73           HB2      SER  73  -6.291 -12.331   1.383
  548    HB3  SER  73           HB1      SER  73  -4.877 -12.586   0.362
  549    HG   SER  73           HG       SER  73  -5.476 -13.850   2.833
  550    H    ASP  74           HN       ASP  74  -6.405  -9.738   2.799
  551    HA   ASP  74           HA       ASP  74  -7.028  -8.802   4.781
  552    HB2  ASP  74           HB2      ASP  74  -6.916 -11.717   5.615
  553    HB3  ASP  74           HB1      ASP  74  -7.895 -10.460   6.364
  554    H    GLN  75           HN       GLN  75  -6.545  -9.429   7.432
  555    HA   GLN  75           HA       GLN  75  -5.049  -9.494   9.139
  556    HB2  GLN  75           HB2      GLN  75  -3.151 -10.570   7.049
  557    HB3  GLN  75           HB1      GLN  75  -2.826 -10.523   8.779
  558    HG2  GLN  75           HG2      GLN  75  -4.543 -12.084   9.237
  559    HG3  GLN  75           HG1      GLN  75  -5.190 -11.953   7.602
  560   HE21  GLN  75          HE21      GLN  75  -4.153 -12.983   5.912
  561   HE22  GLN  75          HE22      GLN  75  -2.974 -14.233   6.186
  562    H    GLN  76           HN       GLN  76  -3.537  -8.174  10.108
  563    HA   GLN  76           HA       GLN  76  -3.088  -5.674   8.836
  564    HB2  GLN  76           HB2      GLN  76  -2.144  -6.743  11.505
  565    HB3  GLN  76           HB1      GLN  76  -1.881  -5.094  10.962
  566    HG2  GLN  76           HG2      GLN  76  -3.733  -4.836  12.268
  567    HG3  GLN  76           HG1      GLN  76  -4.470  -5.068  10.686
  568   HE21  GLN  76          HE21      GLN  76  -5.586  -5.497  13.323
  569   HE22  GLN  76          HE22      GLN  76  -6.079  -7.160  13.380
  570    H    LEU  77           HN       LEU  77  -1.297  -4.893   7.853
  571    HA   LEU  77           HA       LEU  77   1.178  -6.305   8.076
  572    HB2  LEU  77           HB2      LEU  77  -0.344  -7.276   6.098
  573    HB3  LEU  77           HB1      LEU  77   0.289  -5.875   5.256
  574    HG   LEU  77           HG       LEU  77   1.579  -7.909   4.773
  575   HD11  LEU  77          HD11      LEU  77   2.715  -5.763   4.669
  576   HD12  LEU  77          HD12      LEU  77   3.807  -7.032   5.223
  577   HD13  LEU  77          HD13      LEU  77   3.128  -5.886   6.379
  578   HD21  LEU  77          HD21      LEU  77   3.032  -8.837   6.581
  579   HD22  LEU  77          HD22      LEU  77   1.310  -9.159   6.781
  580   HD23  LEU  77          HD23      LEU  77   2.088  -7.901   7.741
  581    H    LEU  78           HN       LEU  78   2.696  -4.727   8.148
  582    HA   LEU  78           HA       LEU  78   1.718  -2.037   7.582
  583    HB2  LEU  78           HB2      LEU  78   2.675  -2.568   9.872
  584    HB3  LEU  78           HB1      LEU  78   4.227  -2.801   9.086
  585    HG   LEU  78           HG       LEU  78   2.771  -0.187   8.821
  586   HD11  LEU  78          HD11      LEU  78   2.895  -0.689  11.213
  587   HD12  LEU  78          HD12      LEU  78   3.977   0.632  10.769
  588   HD13  LEU  78          HD13      LEU  78   4.627  -0.983  11.059
  589   HD21  LEU  78          HD21      LEU  78   4.661  -0.477   7.360
  590   HD22  LEU  78          HD22      LEU  78   5.666  -1.026   8.702
  591   HD23  LEU  78          HD23      LEU  78   5.113   0.648   8.644
  592    H    LEU  79           HN       LEU  79   2.733  -0.840   5.962
  593    HA   LEU  79           HA       LEU  79   4.639  -2.387   4.359
  594    HB2  LEU  79           HB2      LEU  79   2.270  -0.816   3.370
  595    HB3  LEU  79           HB1      LEU  79   3.579  -1.339   2.327
  596    HG   LEU  79           HG       LEU  79   1.736  -3.158   3.885
  597   HD11  LEU  79          HD11      LEU  79   1.940  -2.653   0.922
  598   HD12  LEU  79          HD12      LEU  79   0.674  -2.025   1.978
  599   HD13  LEU  79          HD13      LEU  79   0.831  -3.765   1.727
  600   HD21  LEU  79          HD21      LEU  79   4.000  -4.074   3.643
  601   HD22  LEU  79          HD22      LEU  79   3.904  -3.829   1.899
  602   HD23  LEU  79          HD23      LEU  79   2.820  -4.972   2.691
  603    HA   PRO  80           HA       PRO  80   6.878   1.422   4.472
  604    HB2  PRO  80           HB2      PRO  80   9.046   0.565   3.120
  605    HB3  PRO  80           HB1      PRO  80   8.672   0.022   4.758
  606    HG2  PRO  80           HG2      PRO  80   8.476  -1.436   2.208
  607    HG3  PRO  80           HG1      PRO  80   8.627  -2.065   3.857
  608    HD2  PRO  80           HD2      PRO  80   6.253  -1.820   2.257
  609    HD3  PRO  80           HD1      PRO  80   6.403  -2.461   3.904
  610    H    CYS  81           HN       CYS  81   6.314   3.129   3.324
  611    HA   CYS  81           HA       CYS  81   6.028   3.100   0.447
  612    HB2  CYS  81           HB2      CYS  81   5.328   4.845   2.650
  613    HB3  CYS  81           HB1      CYS  81   6.066   5.752   1.330
  614    H    THR  82           HN       THR  82   7.809   3.049  -0.782
  615    HA   THR  82           HA       THR  82  10.274   4.192   0.047
  616    HB   THR  82           HB       THR  82   9.589   3.359  -2.770
  617    HG1  THR  82           HG1      THR  82   9.111   1.490  -1.876
  618   HG21  THR  82          HG21      THR  82  11.777   4.368  -2.501
  619   HG22  THR  82          HG22      THR  82  11.964   2.634  -2.770
  620   HG23  THR  82          HG23      THR  82  12.137   3.298  -1.146
  621    HA   PRO  83           HA       PRO  83   9.238   8.264  -1.557
  622    HB2  PRO  83           HB2      PRO  83  11.270   9.589  -0.415
  623    HB3  PRO  83           HB1      PRO  83   9.898   9.005   0.538
  624    HG2  PRO  83           HG2      PRO  83  12.631   7.828   0.229
  625    HG3  PRO  83           HG1      PRO  83  11.636   7.981   1.689
  626    HD2  PRO  83           HD2      PRO  83  11.864   5.676   0.198
  627    HD3  PRO  83           HD1      PRO  83  10.480   6.062   1.238
  628    H    GLN  84           HN       GLN  84  10.289   9.835  -2.954
  629    HA   GLN  84           HA       GLN  84  12.712   8.901  -4.261
  630    HB2  GLN  84           HB2      GLN  84  10.875   7.997  -5.627
  631    HB3  GLN  84           HB1      GLN  84  10.209   9.621  -5.804
  632    HG2  GLN  84           HG2      GLN  84  12.200  10.319  -7.017
  633    HG3  GLN  84           HG1      GLN  84  12.900   8.714  -6.810
  634   HE21  GLN  84          HE21      GLN  84   9.508   9.176  -7.424
  635   HE22  GLN  84          HE22      GLN  84   9.515   8.545  -9.040
  636    H    LYS  85           HN       LYS  85  10.280  11.482  -4.808
  637    HA   LYS  85           HA       LYS  85  12.352  13.410  -4.280
  638    HB2  LYS  85           HB2      LYS  85  12.128  12.901  -6.869
  639    HB3  LYS  85           HB1      LYS  85  10.709  13.930  -6.731
  640    HG2  LYS  85           HG2      LYS  85  13.540  14.700  -6.030
  641    HG3  LYS  85           HG1      LYS  85  12.633  15.214  -7.454
  642    HD2  LYS  85           HD2      LYS  85  11.097  16.454  -6.120
  643    HD3  LYS  85           HD1      LYS  85  11.750  15.772  -4.631
  644    HE2  LYS  85           HE2      LYS  85  13.932  16.875  -5.210
  645    HE3  LYS  85           HE1      LYS  85  13.081  17.706  -6.514
  646    HZ1  LYS  85           HZ1      LYS  85  11.602  18.688  -4.890
  647    HZ2  LYS  85           HZ2      LYS  85  13.206  19.054  -4.501
  648    HZ3  LYS  85           HZ3      LYS  85  12.378  17.862  -3.634
  Start of MODEL    4
    1    H1   VAL   1           HT1      VAL   1  -7.397 -17.570  -3.678
    2    H2   VAL   1           HT2      VAL   1  -6.127 -18.229  -4.592
    3    H3   VAL   1           HT3      VAL   1  -6.725 -16.685  -4.955
    4    HA   VAL   1           HA       VAL   1  -5.975 -15.850  -2.832
    5    HB   VAL   1           HB       VAL   1  -4.404 -17.237  -1.493
    6   HG11  VAL   1          HG11      VAL   1  -7.179 -18.379  -1.772
    7   HG12  VAL   1          HG12      VAL   1  -6.728 -16.979  -0.802
    8   HG13  VAL   1          HG13      VAL   1  -6.116 -18.577  -0.380
    9   HG21  VAL   1          HG21      VAL   1  -3.741 -18.857  -3.170
   10   HG22  VAL   1          HG22      VAL   1  -5.389 -19.479  -3.255
   11   HG23  VAL   1          HG23      VAL   1  -4.446 -19.683  -1.779
   12    H    LEU   2           HN       LEU   2  -5.218 -15.960  -5.679
   13    HA   LEU   2           HA       LEU   2  -2.410 -16.553  -5.920
   14    HB2  LEU   2           HB2      LEU   2  -4.321 -15.025  -7.685
   15    HB3  LEU   2           HB1      LEU   2  -2.618 -15.204  -8.050
   16    HG   LEU   2           HG       LEU   2  -3.705 -16.818  -9.362
   17   HD11  LEU   2          HD11      LEU   2  -2.743 -18.233  -6.885
   18   HD12  LEU   2          HD12      LEU   2  -1.740 -17.693  -8.233
   19   HD13  LEU   2          HD13      LEU   2  -2.945 -18.957  -8.480
   20   HD21  LEU   2          HD21      LEU   2  -5.252 -17.653  -6.917
   21   HD22  LEU   2          HD22      LEU   2  -5.332 -18.420  -8.502
   22   HD23  LEU   2          HD23      LEU   2  -5.886 -16.758  -8.298
   23    H    LYS   3           HN       LYS   3  -4.293 -13.503  -5.952
   24    HA   LYS   3           HA       LYS   3  -1.969 -12.192  -4.785
   25    HB2  LYS   3           HB2      LYS   3  -3.240 -10.088  -5.262
   26    HB3  LYS   3           HB1      LYS   3  -2.828 -11.037  -6.680
   27    HG2  LYS   3           HG2      LYS   3  -5.164 -11.978  -6.578
   28    HG3  LYS   3           HG1      LYS   3  -5.511 -10.738  -5.367
   29    HD2  LYS   3           HD2      LYS   3  -4.858  -9.000  -6.949
   30    HD3  LYS   3           HD1      LYS   3  -4.474 -10.226  -8.156
   31    HE2  LYS   3           HE2      LYS   3  -6.892 -10.974  -7.936
   32    HE3  LYS   3           HE1      LYS   3  -7.164  -9.474  -7.048
   33    HZ1  LYS   3           HZ1      LYS   3  -6.271  -8.268  -8.995
   34    HZ2  LYS   3           HZ2      LYS   3  -7.692  -9.128  -9.343
   35    HZ3  LYS   3           HZ3      LYS   3  -6.190  -9.737  -9.840
   36    H    GLY   4           HN       GLY   4  -3.728 -14.022  -3.348
   37    HA2  GLY   4           HA2      GLY   4  -4.169 -14.142  -1.103
   38    HA3  GLY   4           HA1      GLY   4  -3.994 -12.387  -1.008
   39    H    LYS   5           HN       LYS   5  -5.546 -11.196  -0.763
   40    HA   LYS   5           HA       LYS   5  -8.279 -12.196  -0.679
   41    HB2  LYS   5           HB2      LYS   5  -6.606 -11.543   1.773
   42    HB3  LYS   5           HB1      LYS   5  -8.355 -11.678   1.796
   43    HG2  LYS   5           HG2      LYS   5  -6.515 -13.920   0.999
   44    HG3  LYS   5           HG1      LYS   5  -7.131 -13.678   2.635
   45    HD2  LYS   5           HD2      LYS   5  -9.431 -13.860   1.773
   46    HD3  LYS   5           HD1      LYS   5  -8.789 -14.148   0.155
   47    HE2  LYS   5           HE2      LYS   5  -9.415 -16.249   1.238
   48    HE3  LYS   5           HE1      LYS   5  -7.679 -16.176   0.947
   49    HZ1  LYS   5           HZ1      LYS   5  -9.053 -15.701   3.542
   50    HZ2  LYS   5           HZ2      LYS   5  -7.391 -15.517   3.284
   51    HZ3  LYS   5           HZ3      LYS   5  -8.102 -17.042   3.130
   52    H    ARG   6           HN       ARG   6  -8.110 -10.030   1.524
   53    HA   ARG   6           HA       ARG   6  -7.784  -7.807  -0.052
   54    HB2  ARG   6           HB2      ARG   6 -10.262  -7.698   1.665
   55    HB3  ARG   6           HB1      ARG   6  -9.615  -6.470   0.581
   56    HG2  ARG   6           HG2      ARG   6 -10.112  -8.196  -1.270
   57    HG3  ARG   6           HG1      ARG   6 -11.183  -8.889  -0.056
   58    HD2  ARG   6           HD2      ARG   6 -11.224  -6.037  -1.013
   59    HD3  ARG   6           HD1      ARG   6 -12.373  -7.291  -1.465
   60    HE   ARG   6           HE       ARG   6 -12.657  -7.304   1.182
   61   HH11  ARG   6          HH11      ARG   6 -12.501  -4.604  -1.058
   62   HH12  ARG   6          HH12      ARG   6 -13.470  -3.555  -0.059
   63   HH21  ARG   6          HH21      ARG   6 -13.965  -5.938   2.470
   64   HH22  ARG   6          HH22      ARG   6 -14.282  -4.308   1.955
   65    H    LEU   7           HN       LEU   7  -7.730  -5.960   1.846
   66    HA   LEU   7           HA       LEU   7  -6.781  -7.275   4.104
   67    HB2  LEU   7           HB2      LEU   7  -4.444  -5.964   3.534
   68    HB3  LEU   7           HB1      LEU   7  -4.718  -7.693   3.569
   69    HG   LEU   7           HG       LEU   7  -3.651  -6.813   1.546
   70   HD11  LEU   7          HD11      LEU   7  -4.528  -8.976   1.579
   71   HD12  LEU   7          HD12      LEU   7  -4.705  -8.222  -0.005
   72   HD13  LEU   7          HD13      LEU   7  -6.090  -8.334   1.077
   73   HD21  LEU   7          HD21      LEU   7  -4.836  -5.647  -0.156
   74   HD22  LEU   7          HD22      LEU   7  -4.980  -4.733   1.351
   75   HD23  LEU   7          HD23      LEU   7  -6.318  -5.739   0.800
   76    H    PHE   8           HN       PHE   8  -5.185  -5.605   5.323
   77    HA   PHE   8           HA       PHE   8  -6.538  -2.980   5.292
   78    HB2  PHE   8           HB2      PHE   8  -5.829  -4.179   7.956
   79    HB3  PHE   8           HB1      PHE   8  -6.989  -2.908   7.583
   80    HD1  PHE   8           HD1      PHE   8  -8.696  -4.218   5.560
   81    HD2  PHE   8           HD2      PHE   8  -6.994  -5.757   9.142
   82    HE1  PHE   8           HE1      PHE   8 -10.518  -5.864   5.717
   83    HE2  PHE   8           HE2      PHE   8  -8.811  -7.404   9.301
   84    HZ   PHE   8           HZ       PHE   8 -10.576  -7.460   7.588
   85    H    ALA   9           HN       ALA   9  -4.695  -1.813   4.582
   86    HA   ALA   9           HA       ALA   9  -2.124  -2.847   5.565
   87    HB1  ALA   9           HB1      ALA   9  -2.323  -2.945   3.133
   88    HB2  ALA   9           HB2      ALA   9  -1.054  -1.835   3.652
   89    HB3  ALA   9           HB3      ALA   9  -2.604  -1.203   3.093
   90    H    ILE  10           HN       ILE  10  -0.734  -1.556   6.557
   91    HA   ILE  10           HA       ILE  10  -1.646   1.156   7.262
   92    HB   ILE  10           HB       ILE  10   0.424  -0.551   8.678
   93   HG12  ILE  10          HG12      ILE  10  -1.290  -0.233  10.613
   94   HG13  ILE  10          HG11      ILE  10  -2.437   0.121   9.327
   95   HG21  ILE  10          HG21      ILE  10   0.989   1.810   8.741
   96   HG22  ILE  10          HG22      ILE  10   0.488   1.251  10.337
   97   HG23  ILE  10          HG23      ILE  10  -0.621   2.198   9.345
   98   HD11  ILE  10          HD11      ILE  10  -2.008  -2.077   8.348
   99   HD12  ILE  10          HD12      ILE  10  -2.585  -2.197  10.010
  100   HD13  ILE  10          HD13      ILE  10  -0.874  -2.431   9.651
  101    H    LEU  11           HN       LEU  11  -0.458   2.775   6.264
  102    HA   LEU  11           HA       LEU  11   1.754   1.838   4.612
  103    HB2  LEU  11           HB2      LEU  11  -0.059   4.211   4.173
  104    HB3  LEU  11           HB1      LEU  11   1.342   3.814   3.195
  105    HG   LEU  11           HG       LEU  11  -1.209   2.224   3.428
  106   HD11  LEU  11          HD11      LEU  11  -1.397   2.736   1.038
  107   HD12  LEU  11          HD12      LEU  11   0.071   3.708   1.138
  108   HD13  LEU  11          HD13      LEU  11  -1.373   4.199   2.023
  109   HD21  LEU  11          HD21      LEU  11   0.718   0.725   3.290
  110   HD22  LEU  11          HD22      LEU  11   1.305   1.603   1.878
  111   HD23  LEU  11          HD23      LEU  11  -0.210   0.706   1.790
  112    H    ARG  12           HN       ARG  12   3.632   2.509   5.336
  113    HA   ARG  12           HA       ARG  12   3.752   5.101   6.750
  114    HB2  ARG  12           HB2      ARG  12   3.901   3.040   8.156
  115    HB3  ARG  12           HB1      ARG  12   5.342   2.570   7.271
  116    HG2  ARG  12           HG2      ARG  12   6.045   3.509   9.325
  117    HG3  ARG  12           HG1      ARG  12   6.414   4.684   8.063
  118    HD2  ARG  12           HD2      ARG  12   5.485   5.804   9.992
  119    HD3  ARG  12           HD1      ARG  12   4.373   5.918   8.632
  120    HE   ARG  12           HE       ARG  12   3.253   3.914   9.812
  121   HH11  ARG  12          HH11      ARG  12   4.828   6.595  11.413
  122   HH12  ARG  12          HH12      ARG  12   3.792   6.531  12.805
  123   HH21  ARG  12          HH21      ARG  12   1.868   3.854  11.659
  124   HH22  ARG  12          HH22      ARG  12   2.134   4.989  12.947
  125    H    LEU  13           HN       LEU  13   5.239   6.542   6.075
  126    HA   LEU  13           HA       LEU  13   6.964   6.243   3.852
  127    HB2  LEU  13           HB2      LEU  13   6.538   8.260   6.012
  128    HB3  LEU  13           HB1      LEU  13   8.083   8.248   5.199
  129    HG   LEU  13           HG       LEU  13   6.536   9.961   4.355
  130   HD11  LEU  13          HD11      LEU  13   6.845   9.533   1.982
  131   HD12  LEU  13          HD12      LEU  13   7.254   7.854   2.339
  132   HD13  LEU  13          HD13      LEU  13   8.293   9.158   2.919
  133   HD21  LEU  13          HD21      LEU  13   4.398   8.896   4.592
  134   HD22  LEU  13          HD22      LEU  13   4.862   7.640   3.441
  135   HD23  LEU  13          HD23      LEU  13   4.661   9.302   2.898
  136    H    ALA  14           HN       ALA  14   8.966   5.674   3.935
  137    HA   ALA  14           HA       ALA  14  10.059   4.042   5.808
  138    HB1  ALA  14           HB1      ALA  14  10.938   4.212   3.545
  139    HB2  ALA  14           HB2      ALA  14  12.233   4.363   4.734
  140    HB3  ALA  14           HB3      ALA  14  11.615   5.799   3.915
  141    H    ASP  15           HN       ASP  15  10.295   7.541   5.692
  142    HA   ASP  15           HA       ASP  15  12.181   7.741   7.804
  143    HB2  ASP  15           HB2      ASP  15  11.677  10.148   7.765
  144    HB3  ASP  15           HB1      ASP  15  11.961   9.517   6.143
  145    H    GLY  16           HN       GLY  16   8.780   7.250   7.784
  146    HA2  GLY  16           HA2      GLY  16   8.010   6.360  10.015
  147    HA3  GLY  16           HA1      GLY  16   8.763   7.802  10.683
  148    H    SER  17           HN       SER  17   7.704   9.295   8.158
  149    HA   SER  17           HA       SER  17   5.163   9.938   9.229
  150    HB2  SER  17           HB2      SER  17   4.978  11.420   7.195
  151    HB3  SER  17           HB1      SER  17   6.422  11.674   8.180
  152    HG   SER  17           HG       SER  17   7.649  10.639   6.665
  153    H    GLN  18           HN       GLN  18   3.688  10.233   6.591
  154    HA   GLN  18           HA       GLN  18   2.969   7.420   6.345
  155    HB2  GLN  18           HB2      GLN  18   1.271   9.504   7.495
  156    HB3  GLN  18           HB1      GLN  18   0.525   8.497   6.271
  157    HG2  GLN  18           HG2      GLN  18   0.049   7.207   8.077
  158    HG3  GLN  18           HG1      GLN  18   1.697   6.628   7.831
  159   HE21  GLN  18          HE21      GLN  18  -0.391   8.583   9.777
  160   HE22  GLN  18          HE22      GLN  18   0.727   8.843  11.087
  161    HA   PRO  19           HA       PRO  19   1.402   8.782   2.344
  162    HB2  PRO  19           HB2      PRO  19   0.711   6.022   1.889
  163    HB3  PRO  19           HB1      PRO  19   1.931   6.976   1.044
  164    HG2  PRO  19           HG2      PRO  19   2.485   4.848   2.706
  165    HG3  PRO  19           HG1      PRO  19   3.628   6.139   2.303
  166    HD2  PRO  19           HD2      PRO  19   1.983   5.764   4.765
  167    HD3  PRO  19           HD1      PRO  19   3.624   6.421   4.589
  168    HA   PRO  20           HA       PRO  20  -2.151   8.348   4.987
  169    HB2  PRO  20           HB2      PRO  20  -2.550  10.908   5.250
  170    HB3  PRO  20           HB1      PRO  20  -0.949  10.292   5.637
  171    HG2  PRO  20           HG2      PRO  20  -1.883  11.740   3.195
  172    HG3  PRO  20           HG1      PRO  20  -0.362  11.910   4.094
  173    HD2  PRO  20           HD2      PRO  20  -0.855  10.248   1.827
  174    HD3  PRO  20           HD1      PRO  20   0.619  10.308   2.824
  175    H    PHE  21           HN       PHE  21  -4.315  10.275   4.605
  176    HA   PHE  21           HA       PHE  21  -5.967   8.521   3.194
  177    HB2  PHE  21           HB2      PHE  21  -6.933   9.871   4.844
  178    HB3  PHE  21           HB1      PHE  21  -6.336  11.320   4.103
  179    HD1  PHE  21           HD1      PHE  21  -7.454  12.279   2.136
  180    HD2  PHE  21           HD2      PHE  21  -8.934   8.820   4.117
  181    HE1  PHE  21           HE1      PHE  21  -9.617  12.566   1.005
  182    HE2  PHE  21           HE2      PHE  21 -11.100   9.091   2.983
  183    HZ   PHE  21           HZ       PHE  21 -11.444  10.968   1.426
  184    H    GLY  22           HN       GLY  22  -5.772   8.040   1.118
  185    HA2  GLY  22           HA2      GLY  22  -6.730   8.893  -1.053
  186    HA3  GLY  22           HA1      GLY  22  -5.622  10.227  -0.801
  187    H    ALA  23           HN       ALA  23  -3.731   8.337   0.515
  188    HA   ALA  23           HA       ALA  23  -1.982   7.875  -1.491
  189    HB1  ALA  23           HB1      ALA  23  -2.271   6.180   0.978
  190    HB2  ALA  23           HB2      ALA  23  -1.399   7.709   0.866
  191    HB3  ALA  23           HB3      ALA  23  -0.834   6.301  -0.037
  192    H    SER  24           HN       SER  24  -3.076   7.144  -3.245
  193    HA   SER  24           HA       SER  24  -4.145   4.654  -3.614
  194    HB2  SER  24           HB2      SER  24  -2.926   6.757  -5.291
  195    HB3  SER  24           HB1      SER  24  -3.016   5.167  -6.049
  196    HG   SER  24           HG       SER  24  -5.299   6.110  -4.727
  197    H    VAL  25           HN       VAL  25  -2.963   2.984  -2.659
  198    HA   VAL  25           HA       VAL  25  -0.230   2.461  -3.528
  199    HB   VAL  25           HB       VAL  25  -0.825   0.145  -2.471
  200   HG11  VAL  25          HG11      VAL  25   0.865   1.788  -1.653
  201   HG12  VAL  25          HG12      VAL  25   0.057   0.935  -0.338
  202   HG13  VAL  25          HG13      VAL  25  -0.406   2.593  -0.725
  203   HG21  VAL  25          HG21      VAL  25  -2.791   1.981  -1.096
  204   HG22  VAL  25          HG22      VAL  25  -2.344   0.367  -0.542
  205   HG23  VAL  25          HG23      VAL  25  -3.177   0.569  -2.084
  206    H    THR  26           HN       THR  26  -0.290   2.117  -5.690
  207    HA   THR  26           HA       THR  26  -1.649  -0.203  -6.602
  208    HB   THR  26           HB       THR  26  -3.071   0.567  -8.223
  209    HG1  THR  26           HG1      THR  26  -1.462   2.609  -8.461
  210   HG21  THR  26          HG21      THR  26  -3.552   2.494  -5.951
  211   HG22  THR  26          HG22      THR  26  -4.108   0.819  -6.036
  212   HG23  THR  26          HG23      THR  26  -4.733   2.017  -7.173
  213    H    SER  27           HN       SER  27  -0.663  -0.702  -8.810
  214    HA   SER  27           HA       SER  27   2.022   0.429  -8.619
  215    HB2  SER  27           HB2      SER  27   2.708  -1.212 -10.244
  216    HB3  SER  27           HB1      SER  27   1.863  -1.992  -8.913
  217    HG   SER  27           HG       SER  27   0.587  -2.784 -10.320
  218    H    GLU  28           HN       GLU  28   2.980   0.868 -10.992
  219    HA   GLU  28           HA       GLU  28   1.906   3.256 -11.722
  220    HB2  GLU  28           HB2      GLU  28   3.296   1.628 -13.824
  221    HB3  GLU  28           HB1      GLU  28   3.390   3.358 -13.529
  222    HG2  GLU  28           HG2      GLU  28   5.434   2.600 -12.800
  223    HG3  GLU  28           HG1      GLU  28   4.505   2.668 -11.302
  224    H    LYS  29           HN       LYS  29   0.779   0.177 -12.764
  225    HA   LYS  29           HA       LYS  29  -0.548   1.255 -15.135
  226    HB2  LYS  29           HB2      LYS  29  -0.519  -1.587 -14.092
  227    HB3  LYS  29           HB1      LYS  29  -1.169  -1.051 -15.634
  228    HG2  LYS  29           HG2      LYS  29   0.863  -1.885 -16.279
  229    HG3  LYS  29           HG1      LYS  29   1.267  -0.186 -16.032
  230    HD2  LYS  29           HD2      LYS  29   2.047  -0.764 -13.741
  231    HD3  LYS  29           HD1      LYS  29   1.749  -2.463 -14.110
  232    HE2  LYS  29           HE2      LYS  29   4.036  -2.186 -14.502
  233    HE3  LYS  29           HE1      LYS  29   3.313  -2.112 -16.106
  234    HZ1  LYS  29           HZ1      LYS  29   3.341   0.383 -15.811
  235    HZ2  LYS  29           HZ2      LYS  29   4.851  -0.363 -16.007
  236    HZ3  LYS  29           HZ3      LYS  29   4.346   0.123 -14.464
  237    H    GLY  30           HN       GLY  30  -1.191   0.290 -11.844
  238    HA2  GLY  30           HA2      GLY  30  -2.991   1.602 -10.771
  239    HA3  GLY  30           HA1      GLY  30  -3.936   1.251 -12.202
  240    H    ARG  31           HN       ARG  31  -2.004  -1.293 -11.816
  241    HA   ARG  31           HA       ARG  31  -3.703  -3.029 -10.678
  242    HB2  ARG  31           HB2      ARG  31  -0.704  -2.944 -10.674
  243    HB3  ARG  31           HB1      ARG  31  -1.581  -4.297  -9.985
  244    HG2  ARG  31           HG2      ARG  31  -2.599  -4.737 -12.180
  245    HG3  ARG  31           HG1      ARG  31  -1.667  -3.393 -12.855
  246    HD2  ARG  31           HD2      ARG  31   0.404  -4.489 -12.284
  247    HD3  ARG  31           HD1      ARG  31  -0.467  -5.784 -11.470
  248    HE   ARG  31           HE       ARG  31  -1.192  -5.507 -14.234
  249   HH11  ARG  31          HH11      ARG  31   1.106  -6.898 -11.981
  250   HH12  ARG  31          HH12      ARG  31   1.598  -8.164 -13.066
  251   HH21  ARG  31          HH21      ARG  31  -0.544  -7.184 -15.669
  252   HH22  ARG  31          HH22      ARG  31   0.640  -8.350 -15.145
  253    H    GLU  32           HN       GLU  32  -3.227  -4.209  -8.460
  254    HA   GLU  32           HA       GLU  32  -2.251  -4.293  -6.428
  255    HB2  GLU  32           HB2      GLU  32  -1.119  -1.775  -7.296
  256    HB3  GLU  32           HB1      GLU  32  -1.232  -2.009  -5.558
  257    HG2  GLU  32           HG2      GLU  32   0.926  -2.719  -6.586
  258    HG3  GLU  32           HG1      GLU  32   0.109  -3.951  -5.632
  259    H    LEU  33           HN       LEU  33  -2.669  -1.634  -4.593
  260    HA   LEU  33           HA       LEU  33  -4.434  -3.675  -3.497
  261    HB2  LEU  33           HB2      LEU  33  -2.590  -1.692  -2.227
  262    HB3  LEU  33           HB1      LEU  33  -3.761  -2.610  -1.312
  263    HG   LEU  33           HG       LEU  33  -2.675  -4.709  -2.040
  264   HD11  LEU  33          HD11      LEU  33  -1.672  -3.914  -4.133
  265   HD12  LEU  33          HD12      LEU  33  -0.477  -4.654  -3.068
  266   HD13  LEU  33          HD13      LEU  33  -0.564  -2.898  -3.208
  267   HD21  LEU  33          HD21      LEU  33  -0.888  -2.705  -0.686
  268   HD22  LEU  33          HD22      LEU  33  -0.691  -4.455  -0.634
  269   HD23  LEU  33          HD23      LEU  33  -2.115  -3.705   0.087
  270    H    GLY  34           HN       GLY  34  -4.291  -0.076  -3.720
  271    HA2  GLY  34           HA2      GLY  34  -6.807   0.608  -3.855
  272    HA3  GLY  34           HA1      GLY  34  -6.793   0.076  -2.178
  273    H    MET  35           HN       MET  35  -7.237   2.095  -1.248
  274    HA   MET  35           HA       MET  35  -5.069   4.125  -1.347
  275    HB2  MET  35           HB2      MET  35  -8.001   4.768  -1.608
  276    HB3  MET  35           HB1      MET  35  -6.622   5.860  -1.819
  277    HG2  MET  35           HG2      MET  35  -6.091   5.040  -3.839
  278    HG3  MET  35           HG1      MET  35  -6.673   3.413  -3.402
  279    HE1  MET  35           HE1      MET  35  -8.800   4.403  -6.611
  280    HE2  MET  35           HE2      MET  35  -7.713   3.204  -5.909
  281    HE3  MET  35           HE3      MET  35  -7.116   4.821  -6.288
  282    H    VAL  36           HN       VAL  36  -4.803   5.365   0.460
  283    HA   VAL  36           HA       VAL  36  -5.756   4.234   2.892
  284    HB   VAL  36           HB       VAL  36  -4.316   6.840   2.372
  285   HG11  VAL  36          HG11      VAL  36  -5.036   5.590   5.020
  286   HG12  VAL  36          HG12      VAL  36  -5.695   7.090   4.364
  287   HG13  VAL  36          HG13      VAL  36  -3.987   6.990   4.795
  288   HG21  VAL  36          HG21      VAL  36  -2.970   4.841   2.039
  289   HG22  VAL  36          HG22      VAL  36  -3.399   4.277   3.654
  290   HG23  VAL  36          HG23      VAL  36  -2.438   5.748   3.461
  291    H    ALA  37           HN       ALA  37  -7.452   4.784   4.176
  292    HA   ALA  37           HA       ALA  37  -8.948   7.190   3.450
  293    HB1  ALA  37           HB1      ALA  37 -11.071   6.129   3.934
  294    HB2  ALA  37           HB2      ALA  37 -10.256   4.596   4.250
  295    HB3  ALA  37           HB3      ALA  37 -10.248   5.285   2.625
  296    H    ASP  38           HN       ASP  38  -7.226   7.665   5.125
  297    HA   ASP  38           HA       ASP  38  -8.185   8.154   7.643
  298    HB2  ASP  38           HB2      ASP  38  -8.198   5.639   7.861
  299    HB3  ASP  38           HB1      ASP  38  -6.456   5.656   7.638
  300    H    GLU  39           HN       GLU  39  -5.753   7.881   9.133
  301    HA   GLU  39           HA       GLU  39  -4.261   9.932   7.724
  302    HB2  GLU  39           HB2      GLU  39  -3.110  10.266   9.912
  303    HB3  GLU  39           HB1      GLU  39  -4.846  10.577   9.939
  304    HG2  GLU  39           HG2      GLU  39  -5.146   8.273  10.864
  305    HG3  GLU  39           HG1      GLU  39  -3.391   8.180  11.018
  306    H    GLY  40           HN       GLY  40  -4.146   6.586   8.176
  307    HA2  GLY  40           HA2      GLY  40  -1.809   6.474   6.511
  308    HA3  GLY  40           HA1      GLY  40  -1.471   6.116   8.204
  309    H    LEU  41           HN       LEU  41  -4.477   5.254   6.574
  310    HA   LEU  41           HA       LEU  41  -3.719   2.445   6.704
  311    HB2  LEU  41           HB2      LEU  41  -4.840   3.037   8.858
  312    HB3  LEU  41           HB1      LEU  41  -6.246   3.507   7.933
  313    HG   LEU  41           HG       LEU  41  -6.439   1.163   7.114
  314   HD11  LEU  41          HD11      LEU  41  -4.108   0.491   7.446
  315   HD12  LEU  41          HD12      LEU  41  -5.216  -0.585   8.297
  316   HD13  LEU  41          HD13      LEU  41  -4.315   0.638   9.192
  317   HD21  LEU  41          HD21      LEU  41  -7.803   1.961   8.955
  318   HD22  LEU  41          HD22      LEU  41  -6.511   1.595  10.099
  319   HD23  LEU  41          HD23      LEU  41  -7.322   0.286   9.235
  320    H    ALA  42           HN       ALA  42  -4.406   1.420   4.911
  321    HA   ALA  42           HA       ALA  42  -6.545   2.677   3.338
  322    HB1  ALA  42           HB1      ALA  42  -4.295   1.154   2.013
  323    HB2  ALA  42           HB2      ALA  42  -4.279   2.903   2.206
  324    HB3  ALA  42           HB3      ALA  42  -5.547   2.146   1.223
  325    H    TRP  43           HN       TRP  43  -8.201   1.376   2.906
  326    HA   TRP  43           HA       TRP  43  -8.184  -1.311   3.991
  327    HB2  TRP  43           HB2      TRP  43 -10.319   0.381   2.788
  328    HB3  TRP  43           HB1      TRP  43 -10.586  -1.254   3.394
  329    HD1  TRP  43           HD1      TRP  43  -9.610   2.228   4.668
  330    HE1  TRP  43           HE1      TRP  43  -9.588   2.144   7.236
  331    HE3  TRP  43           HE3      TRP  43 -10.596  -2.723   5.306
  332    HZ2  TRP  43           HZ2      TRP  43  -9.881   0.219   9.166
  333    HZ3  TRP  43           HZ3      TRP  43 -10.718  -3.614   7.598
  334    HH2  TRP  43           HH2      TRP  43 -10.385  -2.147   9.521
  335    H    LEU  44           HN       LEU  44  -7.558  -2.950   2.427
  336    HA   LEU  44           HA       LEU  44  -7.622  -1.958  -0.315
  337    HB2  LEU  44           HB2      LEU  44  -5.320  -3.490   0.872
  338    HB3  LEU  44           HB1      LEU  44  -5.417  -2.768  -0.737
  339    HG   LEU  44           HG       LEU  44  -5.418  -1.235   1.860
  340   HD11  LEU  44          HD11      LEU  44  -3.251  -2.330   1.235
  341   HD12  LEU  44          HD12      LEU  44  -3.218  -0.573   1.382
  342   HD13  LEU  44          HD13      LEU  44  -3.255  -1.320  -0.213
  343   HD21  LEU  44          HD21      LEU  44  -5.399  -0.341  -1.004
  344   HD22  LEU  44          HD22      LEU  44  -5.151   0.709   0.389
  345   HD23  LEU  44          HD23      LEU  44  -6.694  -0.117   0.173
  346    H    SER  45           HN       SER  45  -6.709  -4.082  -1.638
  347    HA   SER  45           HA       SER  45  -8.354  -6.291  -0.836
  348    HB2  SER  45           HB2      SER  45  -9.348  -6.459  -3.168
  349    HB3  SER  45           HB1      SER  45  -9.980  -5.143  -2.168
  350    HG   SER  45           HG       SER  45  -7.796  -4.689  -3.893
  351    H    GLY  46           HN       GLY  46  -6.194  -7.212  -0.506
  352    HA2  GLY  46           HA2      GLY  46  -4.968  -9.037  -1.467
  353    HA3  GLY  46           HA1      GLY  46  -5.449  -8.511  -3.076
  354    H    VAL  47           HN       VAL  47  -2.807  -9.237  -2.045
  355    HA   VAL  47           HA       VAL  47  -1.407  -6.735  -2.614
  356    HB   VAL  47           HB       VAL  47   0.390  -7.195  -1.074
  357   HG11  VAL  47          HG11      VAL  47  -1.454  -5.912  -0.182
  358   HG12  VAL  47          HG12      VAL  47  -0.757  -6.929   1.080
  359   HG13  VAL  47          HG13      VAL  47  -2.275  -7.392   0.312
  360   HG21  VAL  47          HG21      VAL  47  -1.153  -9.656  -0.248
  361   HG22  VAL  47          HG22      VAL  47   0.315  -9.056   0.526
  362   HG23  VAL  47          HG23      VAL  47   0.368  -9.629  -1.141
  363    H    THR  48           HN       THR  48   0.318  -7.033  -4.096
  364    HA   THR  48           HA       THR  48   0.966  -9.788  -4.756
  365    HB   THR  48           HB       THR  48   1.968  -7.350  -6.179
  366    HG1  THR  48           HG1      THR  48   0.011  -7.040  -6.968
  367   HG21  THR  48          HG21      THR  48   2.088  -8.875  -8.096
  368   HG22  THR  48          HG22      THR  48   1.495 -10.183  -7.071
  369   HG23  THR  48          HG23      THR  48   3.063  -9.445  -6.741
  370    HA   PRO  49           HA       PRO  49   4.456  -9.308  -2.033
  371    HB2  PRO  49           HB2      PRO  49   5.313 -11.867  -2.258
  372    HB3  PRO  49           HB1      PRO  49   3.887 -11.417  -1.311
  373    HG2  PRO  49           HG2      PRO  49   4.035 -12.521  -4.097
  374    HG3  PRO  49           HG1      PRO  49   2.953 -12.984  -2.768
  375    HD2  PRO  49           HD2      PRO  49   2.170 -11.314  -4.772
  376    HD3  PRO  49           HD1      PRO  49   1.561 -11.172  -3.106
  377    H    GLY  50           HN       GLY  50   6.385  -8.379  -2.599
  378    HA2  GLY  50           HA2      GLY  50   8.639  -8.668  -3.321
  379    HA3  GLY  50           HA1      GLY  50   8.093  -9.926  -4.433
  380    H    GLU  51           HN       GLU  51   6.853  -6.592  -3.959
  381    HA   GLU  51           HA       GLU  51   7.440  -6.164  -6.793
  382    HB2  GLU  51           HB2      GLU  51   4.739  -5.844  -5.533
  383    HB3  GLU  51           HB1      GLU  51   5.204  -4.970  -6.985
  384    HG2  GLU  51           HG2      GLU  51   5.781  -7.771  -7.189
  385    HG3  GLU  51           HG1      GLU  51   4.101  -7.440  -6.801
  386    H    THR  52           HN       THR  52   6.770  -3.838  -7.360
  387    HA   THR  52           HA       THR  52   7.021  -2.157  -5.011
  388    HB   THR  52           HB       THR  52   8.014  -1.469  -7.781
  389    HG1  THR  52           HG1      THR  52   9.276  -3.144  -6.893
  390   HG21  THR  52          HG21      THR  52   8.502  -0.150  -5.104
  391   HG22  THR  52          HG22      THR  52   7.453   0.474  -6.377
  392   HG23  THR  52          HG23      THR  52   9.191   0.352  -6.651
  393    H    LEU  53           HN       LEU  53   5.240  -1.203  -4.554
  394    HA   LEU  53           HA       LEU  53   3.007  -0.807  -6.343
  395    HB2  LEU  53           HB2      LEU  53   3.692   0.042  -3.541
  396    HB3  LEU  53           HB1      LEU  53   2.298   0.689  -4.390
  397    HG   LEU  53           HG       LEU  53   2.488  -2.241  -4.264
  398   HD11  LEU  53          HD11      LEU  53   1.920  -0.521  -1.865
  399   HD12  LEU  53          HD12      LEU  53   3.099  -1.832  -2.000
  400   HD13  LEU  53          HD13      LEU  53   1.373  -2.190  -2.019
  401   HD21  LEU  53          HD21      LEU  53   0.669  -1.151  -5.378
  402   HD22  LEU  53          HD22      LEU  53   0.371  -0.130  -3.967
  403   HD23  LEU  53          HD23      LEU  53   0.055  -1.869  -3.888
  404    H    SER  54           HN       SER  54   2.107   1.262  -6.822
  405    HA   SER  54           HA       SER  54   3.906   3.505  -6.457
  406    HB2  SER  54           HB2      SER  54   1.648   3.240  -8.432
  407    HB3  SER  54           HB1      SER  54   2.509   4.751  -8.122
  408    HG   SER  54           HG       SER  54   3.966   2.448  -8.800
  409    H    VAL  55           HN       VAL  55   3.072   5.333  -5.330
  410    HA   VAL  55           HA       VAL  55   0.415   4.848  -4.172
  411    HB   VAL  55           HB       VAL  55   2.778   5.981  -2.698
  412   HG11  VAL  55          HG11      VAL  55   1.416   5.508  -0.706
  413   HG12  VAL  55          HG12      VAL  55   0.086   5.029  -1.763
  414   HG13  VAL  55          HG13      VAL  55   0.673   6.691  -1.782
  415   HG21  VAL  55          HG21      VAL  55   1.728   3.164  -2.684
  416   HG22  VAL  55          HG22      VAL  55   2.903   3.810  -1.539
  417   HG23  VAL  55          HG23      VAL  55   3.313   3.704  -3.255
  418    H    ASN  56           HN       ASN  56  -0.771   6.279  -5.237
  419    HA   ASN  56           HA       ASN  56   0.217   8.959  -5.742
  420    HB2  ASN  56           HB2      ASN  56  -0.904   8.443  -7.644
  421    HB3  ASN  56           HB1      ASN  56  -1.892   7.223  -6.853
  422   HD21  ASN  56          HD21      ASN  56  -3.901   7.703  -6.235
  423   HD22  ASN  56          HD22      ASN  56  -4.662   9.237  -6.500
  424    H    TRP  57           HN       TRP  57  -0.058  10.482  -4.416
  425    HA   TRP  57           HA       TRP  57  -1.979  10.211  -2.276
  426    HB2  TRP  57           HB2      TRP  57  -0.086   9.418  -1.235
  427    HB3  TRP  57           HB1      TRP  57   0.973  10.422  -2.208
  428    HD1  TRP  57           HD1      TRP  57  -1.564  12.523  -0.524
  429    HE1  TRP  57           HE1      TRP  57  -0.512  13.756   1.441
  430    HE3  TRP  57           HE3      TRP  57   2.728   9.795  -0.076
  431    HZ2  TRP  57           HZ2      TRP  57   1.725  13.586   2.906
  432    HZ3  TRP  57           HZ3      TRP  57   4.256  10.431   1.749
  433    HH2  TRP  57           HH2      TRP  57   3.781  12.293   3.223
  434    H    ASP  58           HN       ASP  58  -2.789  12.127  -1.398
  435    HA   ASP  58           HA       ASP  58  -3.582  14.336  -2.361
  436    HB2  ASP  58           HB2      ASP  58  -3.275  13.948   0.094
  437    HB3  ASP  58           HB1      ASP  58  -1.638  14.560  -0.063
  438    H    GLY  59           HN       GLY  59  -0.170  14.773  -1.171
  439    HA2  GLY  59           HA2      GLY  59   0.268  16.961  -2.789
  440    HA3  GLY  59           HA1      GLY  59   1.562  15.900  -2.246
  441    H    LYS  60           HN       LYS  60   0.718  13.613  -3.810
  442    HA   LYS  60           HA       LYS  60   0.782  13.903  -6.556
  443    HB2  LYS  60           HB2      LYS  60   3.205  13.831  -6.999
  444    HB3  LYS  60           HB1      LYS  60   2.759  15.333  -6.184
  445    HG2  LYS  60           HG2      LYS  60   3.198  13.580  -4.109
  446    HG3  LYS  60           HG1      LYS  60   4.467  13.170  -5.300
  447    HD2  LYS  60           HD2      LYS  60   3.928  15.924  -4.174
  448    HD3  LYS  60           HD1      LYS  60   5.304  14.892  -3.789
  449    HE2  LYS  60           HE2      LYS  60   4.685  15.941  -6.548
  450    HE3  LYS  60           HE1      LYS  60   5.807  16.708  -5.427
  451    HZ1  LYS  60           HZ1      LYS  60   6.068  13.937  -6.469
  452    HZ2  LYS  60           HZ2      LYS  60   7.171  14.737  -5.462
  453    HZ3  LYS  60           HZ3      LYS  60   6.926  15.280  -7.046
  454    H    ILE  61           HN       ILE  61   2.922  11.979  -7.042
  455    HA   ILE  61           HA       ILE  61   1.739   9.759  -5.636
  456    HB   ILE  61           HB       ILE  61   1.532   9.531  -8.112
  457   HG12  ILE  61          HG12      ILE  61   2.344   7.719  -6.138
  458   HG13  ILE  61          HG11      ILE  61   1.468   7.325  -7.613
  459   HG21  ILE  61          HG21      ILE  61   4.522   9.250  -8.074
  460   HG22  ILE  61          HG22      ILE  61   3.625  10.595  -8.785
  461   HG23  ILE  61          HG23      ILE  61   3.467   8.973  -9.459
  462   HD11  ILE  61          HD11      ILE  61   3.567   6.883  -8.748
  463   HD12  ILE  61          HD12      ILE  61   3.495   5.960  -7.245
  464   HD13  ILE  61          HD13      ILE  61   4.474   7.420  -7.335
  465    H    GLN  62           HN       GLN  62   3.041   9.464  -3.876
  466    HA   GLN  62           HA       GLN  62   5.587  10.901  -4.169
  467    HB2  GLN  62           HB2      GLN  62   4.391  10.683  -1.490
  468    HB3  GLN  62           HB1      GLN  62   5.319  11.977  -2.246
  469    HG2  GLN  62           HG2      GLN  62   3.245  12.440  -3.613
  470    HG3  GLN  62           HG1      GLN  62   2.404  11.420  -2.436
  471   HE21  GLN  62          HE21      GLN  62   1.162  13.164  -1.814
  472   HE22  GLN  62          HE22      GLN  62   1.768  14.418  -0.762
  473    H    CYS  63           HN       CYS  63   3.873   8.251  -2.768
  474    HA   CYS  63           HA       CYS  63   6.384   7.104  -1.797
  475    HB2  CYS  63           HB2      CYS  63   3.513   6.666  -1.068
  476    HB3  CYS  63           HB1      CYS  63   4.671   5.348  -0.872
  477    H    GLN  64           HN       GLN  64   7.007   5.097  -2.548
  478    HA   GLN  64           HA       GLN  64   5.061   3.685  -4.213
  479    HB2  GLN  64           HB2      GLN  64   8.025   3.801  -4.796
  480    HB3  GLN  64           HB1      GLN  64   6.844   2.759  -5.596
  481    HG2  GLN  64           HG2      GLN  64   5.604   4.744  -6.279
  482    HG3  GLN  64           HG1      GLN  64   6.885   5.731  -5.578
  483   HE21  GLN  64          HE21      GLN  64   5.930   5.560  -8.351
  484   HE22  GLN  64          HE22      GLN  64   7.311   5.154  -9.305
  485    H    VAL  65           HN       VAL  65   5.343   1.247  -3.784
  486    HA   VAL  65           HA       VAL  65   6.419   1.346  -1.134
  487    HB   VAL  65           HB       VAL  65   3.919  -0.150  -1.850
  488   HG11  VAL  65          HG11      VAL  65   5.324  -1.611  -0.480
  489   HG12  VAL  65          HG12      VAL  65   3.914  -1.052   0.420
  490   HG13  VAL  65          HG13      VAL  65   5.495  -0.323   0.715
  491   HG21  VAL  65          HG21      VAL  65   2.987   1.143  -0.001
  492   HG22  VAL  65          HG22      VAL  65   3.596   2.159  -1.307
  493   HG23  VAL  65          HG23      VAL  65   4.538   1.962   0.171
  494    H    ASN  66           HN       ASN  66   7.461  -0.570  -0.364
  495    HA   ASN  66           HA       ASN  66   8.154  -2.260  -2.624
  496    HB2  ASN  66           HB2      ASN  66   9.790  -1.375  -0.343
  497    HB3  ASN  66           HB1      ASN  66   9.923  -3.093  -0.726
  498   HD21  ASN  66          HD21      ASN  66   9.403  -2.637  -3.581
  499   HD22  ASN  66          HD22      ASN  66  10.863  -1.973  -4.221
  500    H    VAL  67           HN       VAL  67   7.099  -4.089  -2.697
  501    HA   VAL  67           HA       VAL  67   5.743  -5.034  -0.283
  502    HB   VAL  67           HB       VAL  67   5.363  -6.206  -3.011
  503   HG11  VAL  67          HG11      VAL  67   3.611  -6.141  -0.555
  504   HG12  VAL  67          HG12      VAL  67   4.610  -7.500  -1.072
  505   HG13  VAL  67          HG13      VAL  67   3.255  -6.974  -2.070
  506   HG21  VAL  67          HG21      VAL  67   4.850  -3.844  -3.227
  507   HG22  VAL  67          HG22      VAL  67   3.824  -3.913  -1.796
  508   HG23  VAL  67          HG23      VAL  67   3.361  -4.790  -3.255
  509    HA   PRO  68           HA       PRO  68   9.108  -7.946  -0.123
  510    HB2  PRO  68           HB2      PRO  68   8.059  -8.797   2.429
  511    HB3  PRO  68           HB1      PRO  68   9.508  -7.846   2.104
  512    HG2  PRO  68           HG2      PRO  68   7.291  -6.851   3.359
  513    HG3  PRO  68           HG1      PRO  68   8.435  -5.858   2.436
  514    HD2  PRO  68           HD2      PRO  68   5.765  -6.938   1.605
  515    HD3  PRO  68           HD1      PRO  68   6.483  -5.341   1.297
  516    H    GLU  69           HN       GLU  69   9.297 -10.241  -0.120
  517    HA   GLU  69           HA       GLU  69   7.016 -11.642  -1.005
  518    HB2  GLU  69           HB2      GLU  69   9.711 -12.746  -0.175
  519    HB3  GLU  69           HB1      GLU  69   8.508 -13.571  -1.160
  520    HG2  GLU  69           HG2      GLU  69   8.763 -11.896  -2.904
  521    HG3  GLU  69           HG1      GLU  69   9.942 -11.033  -1.918
  522    H    THR  70           HN       THR  70   8.125 -10.951   2.085
  523    HA   THR  70           HA       THR  70   6.938 -13.239   3.355
  524    HB   THR  70           HB       THR  70   7.471 -11.876   5.460
  525    HG1  THR  70           HG1      THR  70   7.895  -9.845   5.003
  526   HG21  THR  70          HG21      THR  70   8.925 -13.671   4.642
  527   HG22  THR  70          HG22      THR  70   9.874 -12.338   5.297
  528   HG23  THR  70          HG23      THR  70   9.721 -12.536   3.552
  529    H    ALA  71           HN       ALA  71   5.546 -10.696   1.905
  530    HA   ALA  71           HA       ALA  71   3.810  -9.740   4.026
  531    HB1  ALA  71           HB1      ALA  71   3.783  -9.131   1.076
  532    HB2  ALA  71           HB2      ALA  71   4.575  -8.163   2.319
  533    HB3  ALA  71           HB3      ALA  71   2.818  -8.327   2.310
  534    H    ILE  72           HN       ILE  72   1.409  -9.787   3.597
  535    HA   ILE  72           HA       ILE  72   0.543 -12.194   2.343
  536    HB   ILE  72           HB       ILE  72   1.390 -12.957   4.572
  537   HG12  ILE  72          HG12      ILE  72  -0.633 -14.291   5.137
  538   HG13  ILE  72          HG11      ILE  72  -1.578 -13.272   4.057
  539   HG21  ILE  72          HG21      ILE  72  -0.927 -11.355   5.644
  540   HG22  ILE  72          HG22      ILE  72   0.780 -10.981   5.866
  541   HG23  ILE  72          HG23      ILE  72   0.102 -12.446   6.574
  542   HD11  ILE  72          HD11      ILE  72  -0.204 -14.015   2.173
  543   HD12  ILE  72          HD12      ILE  72  -1.004 -15.359   2.986
  544   HD13  ILE  72          HD13      ILE  72   0.711 -15.057   3.263
  545    H    SER  73           HN       SER  73  -1.674 -12.210   1.981
  546    HA   SER  73           HA       SER  73  -3.048  -9.693   2.330
  547    HB2  SER  73           HB2      SER  73  -3.970 -12.287   1.076
  548    HB3  SER  73           HB1      SER  73  -4.758 -10.716   0.924
  549    HG   SER  73           HG       SER  73  -2.096 -11.262   0.090
  550    H    ASP  74           HN       ASP  74  -5.477  -9.826   3.024
  551    HA   ASP  74           HA       ASP  74  -7.014 -10.240   4.631
  552    HB2  ASP  74           HB2      ASP  74  -6.536 -12.692   4.007
  553    HB3  ASP  74           HB1      ASP  74  -5.517 -12.734   5.441
  554    H    GLN  75           HN       GLN  75  -7.241  -9.920   6.929
  555    HA   GLN  75           HA       GLN  75  -6.695  -8.726   8.775
  556    HB2  GLN  75           HB2      GLN  75  -4.166 -10.333   8.447
  557    HB3  GLN  75           HB1      GLN  75  -4.445  -9.267   9.816
  558    HG2  GLN  75           HG2      GLN  75  -5.089 -11.311  10.643
  559    HG3  GLN  75           HG1      GLN  75  -6.624 -10.615  10.128
  560   HE21  GLN  75          HE21      GLN  75  -7.656 -12.542   9.835
  561   HE22  GLN  75          HE22      GLN  75  -7.256 -13.641   8.545
  562    H    GLN  76           HN       GLN  76  -4.195  -7.699   9.632
  563    HA   GLN  76           HA       GLN  76  -4.159  -5.337   7.899
  564    HB2  GLN  76           HB2      GLN  76  -3.095  -4.200   9.851
  565    HB3  GLN  76           HB1      GLN  76  -4.721  -4.787  10.169
  566    HG2  GLN  76           HG2      GLN  76  -3.687  -6.795  11.243
  567    HG3  GLN  76           HG1      GLN  76  -2.127  -5.994  11.091
  568   HE21  GLN  76          HE21      GLN  76  -3.355  -3.353  11.575
  569   HE22  GLN  76          HE22      GLN  76  -3.669  -3.295  13.285
  570    H    LEU  77           HN       LEU  77  -2.073  -4.393   7.348
  571    HA   LEU  77           HA       LEU  77   0.166  -6.174   7.471
  572    HB2  LEU  77           HB2      LEU  77  -1.066  -7.083   5.524
  573    HB3  LEU  77           HB1      LEU  77  -1.057  -5.493   4.787
  574    HG   LEU  77           HG       LEU  77   1.466  -5.619   4.799
  575   HD11  LEU  77          HD11      LEU  77   1.751  -7.340   6.475
  576   HD12  LEU  77          HD12      LEU  77   2.451  -7.862   4.944
  577   HD13  LEU  77          HD13      LEU  77   0.891  -8.500   5.463
  578   HD21  LEU  77          HD21      LEU  77  -0.039  -7.686   3.200
  579   HD22  LEU  77          HD22      LEU  77   1.559  -7.046   2.817
  580   HD23  LEU  77          HD23      LEU  77   0.152  -5.984   2.780
  581    H    LEU  78           HN       LEU  78   1.936  -4.839   7.649
  582    HA   LEU  78           HA       LEU  78   1.345  -2.004   7.260
  583    HB2  LEU  78           HB2      LEU  78   3.576  -3.338   8.814
  584    HB3  LEU  78           HB1      LEU  78   3.484  -1.605   8.518
  585    HG   LEU  78           HG       LEU  78   1.200  -1.720   9.699
  586   HD11  LEU  78          HD11      LEU  78   0.907  -4.117   9.703
  587   HD12  LEU  78          HD12      LEU  78   0.989  -3.511  11.359
  588   HD13  LEU  78          HD13      LEU  78   2.384  -4.320  10.645
  589   HD21  LEU  78          HD21      LEU  78   3.732  -2.192  11.259
  590   HD22  LEU  78          HD22      LEU  78   2.245  -1.484  11.890
  591   HD23  LEU  78          HD23      LEU  78   3.163  -0.640  10.642
  592    H    LEU  79           HN       LEU  79   2.451  -0.876   5.699
  593    HA   LEU  79           HA       LEU  79   4.240  -2.498   4.026
  594    HB2  LEU  79           HB2      LEU  79   2.154  -0.510   3.155
  595    HB3  LEU  79           HB1      LEU  79   3.416  -1.109   2.097
  596    HG   LEU  79           HG       LEU  79   1.284  -2.797   3.411
  597   HD11  LEU  79          HD11      LEU  79   1.638  -1.934   0.543
  598   HD12  LEU  79          HD12      LEU  79   0.387  -1.375   1.654
  599   HD13  LEU  79          HD13      LEU  79   0.417  -3.061   1.139
  600   HD21  LEU  79          HD21      LEU  79   2.139  -4.604   2.017
  601   HD22  LEU  79          HD22      LEU  79   3.387  -4.009   3.113
  602   HD23  LEU  79          HD23      LEU  79   3.415  -3.545   1.411
  603    HA   PRO  80           HA       PRO  80   7.049   0.874   4.665
  604    HB2  PRO  80           HB2      PRO  80   9.139  -0.215   3.375
  605    HB3  PRO  80           HB1      PRO  80   8.597  -0.801   4.951
  606    HG2  PRO  80           HG2      PRO  80   8.208  -1.978   2.251
  607    HG3  PRO  80           HG1      PRO  80   8.421  -2.787   3.814
  608    HD2  PRO  80           HD2      PRO  80   5.991  -2.369   2.485
  609    HD3  PRO  80           HD1      PRO  80   6.184  -2.834   4.186
  610    H    CYS  81           HN       CYS  81   6.741   2.671   3.600
  611    HA   CYS  81           HA       CYS  81   6.503   2.782   0.710
  612    HB2  CYS  81           HB2      CYS  81   5.066   4.360   1.569
  613    HB3  CYS  81           HB1      CYS  81   6.086   4.672   2.976
  614    H    THR  82           HN       THR  82   8.183   3.087  -0.582
  615    HA   THR  82           HA       THR  82  10.657   4.163   0.574
  616    HB   THR  82           HB       THR  82  11.783   3.428  -1.513
  617    HG1  THR  82           HG1      THR  82   9.181   2.783  -2.193
  618   HG21  THR  82          HG21      THR  82  11.808   1.032  -1.008
  619   HG22  THR  82          HG22      THR  82  10.352   1.222  -0.029
  620   HG23  THR  82          HG23      THR  82  11.856   2.002   0.465
  621    HA   PRO  83           HA       PRO  83   9.440   7.923  -1.446
  622    HB2  PRO  83           HB2      PRO  83  12.188   8.823  -1.021
  623    HB3  PRO  83           HB1      PRO  83  10.696   9.429  -0.302
  624    HG2  PRO  83           HG2      PRO  83  12.550   8.065   1.121
  625    HG3  PRO  83           HG1      PRO  83  10.817   7.997   1.486
  626    HD2  PRO  83           HD2      PRO  83  12.528   6.019   0.030
  627    HD3  PRO  83           HD1      PRO  83  11.228   5.734   1.207
  628    H    GLN  84           HN       GLN  84   9.244   7.685  -3.603
  629    HA   GLN  84           HA       GLN  84  11.326   6.789  -5.271
  630    HB2  GLN  84           HB2      GLN  84   9.756   7.497  -7.135
  631    HB3  GLN  84           HB1      GLN  84   9.114   6.337  -5.972
  632    HG2  GLN  84           HG2      GLN  84   7.352   7.778  -6.209
  633    HG3  GLN  84           HG1      GLN  84   8.160   8.458  -4.801
  634   HE21  GLN  84          HE21      GLN  84   9.277   8.767  -8.111
  635   HE22  GLN  84          HE22      GLN  84   9.009  10.483  -8.239
  636    H    LYS  85           HN       LYS  85  11.957   9.235  -3.734
  637    HA   LYS  85           HA       LYS  85  12.248  11.258  -5.845
  638    HB2  LYS  85           HB2      LYS  85  12.651  11.661  -2.877
  639    HB3  LYS  85           HB1      LYS  85  12.533  12.900  -4.121
  640    HG2  LYS  85           HG2      LYS  85  10.200  12.437  -4.442
  641    HG3  LYS  85           HG1      LYS  85  10.284  11.043  -3.365
  642    HD2  LYS  85           HD2      LYS  85  10.958  12.616  -1.535
  643    HD3  LYS  85           HD1      LYS  85  10.608  13.948  -2.639
  644    HE2  LYS  85           HE2      LYS  85   8.299  13.204  -2.832
  645    HE3  LYS  85           HE1      LYS  85   8.641  11.828  -1.784
  646    HZ1  LYS  85           HZ1      LYS  85   8.654  14.703  -1.045
  647    HZ2  LYS  85           HZ2      LYS  85   9.239  13.470  -0.031
  648    HZ3  LYS  85           HZ3      LYS  85   7.607  13.491  -0.480
  Start of MODEL    5
    1    H1   VAL   1           HT1      VAL   1  -4.688 -20.272  -4.669
    2    H2   VAL   1           HT2      VAL   1  -4.176 -21.877  -4.808
    3    H3   VAL   1           HT3      VAL   1  -3.061 -20.618  -4.999
    4    HA   VAL   1           HA       VAL   1  -4.540 -21.262  -2.520
    5    HB   VAL   1           HB       VAL   1  -2.278 -21.853  -1.600
    6   HG11  VAL   1          HG11      VAL   1  -2.279 -24.110  -2.546
    7   HG12  VAL   1          HG12      VAL   1  -3.329 -23.560  -3.851
    8   HG13  VAL   1          HG13      VAL   1  -3.913 -23.554  -2.187
    9   HG21  VAL   1          HG21      VAL   1  -1.497 -21.921  -4.514
   10   HG22  VAL   1          HG22      VAL   1  -0.520 -22.502  -3.164
   11   HG23  VAL   1          HG23      VAL   1  -0.894 -20.784  -3.310
   12    H    LEU   2           HN       LEU   2  -2.182 -19.118  -4.124
   13    HA   LEU   2           HA       LEU   2  -2.375 -17.453  -1.730
   14    HB2  LEU   2           HB2      LEU   2  -0.218 -16.519  -2.019
   15    HB3  LEU   2           HB1      LEU   2  -0.046 -18.252  -2.014
   16    HG   LEU   2           HG       LEU   2   1.494 -17.455  -3.587
   17   HD11  LEU   2          HD11      LEU   2   0.772 -18.337  -5.728
   18   HD12  LEU   2          HD12      LEU   2  -0.899 -18.349  -5.165
   19   HD13  LEU   2          HD13      LEU   2   0.300 -19.389  -4.394
   20   HD21  LEU   2          HD21      LEU   2  -0.679 -15.792  -4.844
   21   HD22  LEU   2          HD22      LEU   2   0.993 -15.916  -5.395
   22   HD23  LEU   2          HD23      LEU   2   0.633 -15.193  -3.827
   23    H    LYS   3           HN       LYS   3  -2.670 -15.257  -2.048
   24    HA   LYS   3           HA       LYS   3  -3.006 -14.032  -4.548
   25    HB2  LYS   3           HB2      LYS   3  -5.404 -13.905  -4.751
   26    HB3  LYS   3           HB1      LYS   3  -4.993 -15.610  -4.609
   27    HG2  LYS   3           HG2      LYS   3  -5.685 -15.669  -2.328
   28    HG3  LYS   3           HG1      LYS   3  -5.861 -13.915  -2.279
   29    HD2  LYS   3           HD2      LYS   3  -8.046 -14.810  -2.450
   30    HD3  LYS   3           HD1      LYS   3  -7.645 -14.163  -4.041
   31    HE2  LYS   3           HE2      LYS   3  -7.186 -16.354  -4.884
   32    HE3  LYS   3           HE1      LYS   3  -7.334 -17.060  -3.274
   33    HZ1  LYS   3           HZ1      LYS   3  -9.489 -15.896  -4.948
   34    HZ2  LYS   3           HZ2      LYS   3  -9.692 -16.247  -3.302
   35    HZ3  LYS   3           HZ3      LYS   3  -9.343 -17.493  -4.398
   36    H    GLY   4           HN       GLY   4  -4.625 -12.009  -4.089
   37    HA2  GLY   4           HA2      GLY   4  -4.418 -11.315  -1.268
   38    HA3  GLY   4           HA1      GLY   4  -3.952 -10.069  -2.416
   39    H    LYS   5           HN       LYS   5  -6.246 -10.948  -0.538
   40    HA   LYS   5           HA       LYS   5  -8.239  -9.593  -2.167
   41    HB2  LYS   5           HB2      LYS   5  -8.944 -11.297  -0.357
   42    HB3  LYS   5           HB1      LYS   5  -8.365 -10.122   0.814
   43    HG2  LYS   5           HG2      LYS   5  -9.975  -8.497   0.027
   44    HG3  LYS   5           HG1      LYS   5 -10.524  -9.615  -1.223
   45    HD2  LYS   5           HD2      LYS   5 -10.696 -10.079   1.753
   46    HD3  LYS   5           HD1      LYS   5 -12.034  -9.586   0.713
   47    HE2  LYS   5           HE2      LYS   5 -11.840 -11.665  -0.544
   48    HE3  LYS   5           HE1      LYS   5 -10.464 -12.150   0.446
   49    HZ1  LYS   5           HZ1      LYS   5 -12.496 -13.215   1.176
   50    HZ2  LYS   5           HZ2      LYS   5 -13.236 -11.707   1.428
   51    HZ3  LYS   5           HZ3      LYS   5 -11.910 -12.175   2.378
   52    H    ARG   6           HN       ARG   6  -8.504  -7.304  -1.422
   53    HA   ARG   6           HA       ARG   6  -6.629  -5.769  -0.842
   54    HB2  ARG   6           HB2      ARG   6  -9.414  -5.599   0.230
   55    HB3  ARG   6           HB1      ARG   6  -8.234  -4.404   0.742
   56    HG2  ARG   6           HG2      ARG   6  -9.552  -3.580  -1.105
   57    HG3  ARG   6           HG1      ARG   6  -7.861  -3.750  -1.564
   58    HD2  ARG   6           HD2      ARG   6  -8.283  -5.563  -2.935
   59    HD3  ARG   6           HD1      ARG   6  -9.815  -5.930  -2.141
   60    HE   ARG   6           HE       ARG   6  -9.397  -4.172  -4.348
   61   HH11  ARG   6          HH11      ARG   6 -11.389  -4.616  -1.482
   62   HH12  ARG   6          HH12      ARG   6 -12.722  -3.708  -2.119
   63   HH21  ARG   6          HH21      ARG   6 -11.194  -3.006  -5.188
   64   HH22  ARG   6          HH22      ARG   6 -12.624  -2.822  -4.211
   65    H    LEU   7           HN       LEU   7  -5.827  -4.553   1.269
   66    HA   LEU   7           HA       LEU   7  -5.400  -6.843   2.962
   67    HB2  LEU   7           HB2      LEU   7  -3.237  -5.122   1.899
   68    HB3  LEU   7           HB1      LEU   7  -3.033  -6.101   3.356
   69    HG   LEU   7           HG       LEU   7  -3.670  -6.984   0.604
   70   HD11  LEU   7          HD11      LEU   7  -1.592  -7.904   2.585
   71   HD12  LEU   7          HD12      LEU   7  -1.289  -6.881   1.180
   72   HD13  LEU   7          HD13      LEU   7  -1.817  -8.551   0.959
   73   HD21  LEU   7          HD21      LEU   7  -5.303  -7.826   2.159
   74   HD22  LEU   7          HD22      LEU   7  -3.989  -8.585   3.087
   75   HD23  LEU   7          HD23      LEU   7  -4.308  -9.105   1.429
   76    H    PHE   8           HN       PHE   8  -4.068  -6.169   4.898
   77    HA   PHE   8           HA       PHE   8  -5.554  -3.961   6.178
   78    HB2  PHE   8           HB2      PHE   8  -5.374  -6.222   7.371
   79    HB3  PHE   8           HB1      PHE   8  -3.648  -5.907   7.509
   80    HD1  PHE   8           HD2      PHE   8  -2.866  -3.984   8.911
   81    HD2  PHE   8           HD1      PHE   8  -6.928  -5.254   8.833
   82    HE1  PHE   8           HE2      PHE   8  -3.271  -2.801  11.028
   83    HE2  PHE   8           HE1      PHE   8  -7.338  -4.074  10.955
   84    HZ   PHE   8           HZ       PHE   8  -5.508  -2.848  12.055
   85    H    ALA   9           HN       ALA   9  -4.484  -2.325   5.035
   86    HA   ALA   9           HA       ALA   9  -1.580  -2.505   4.873
   87    HB1  ALA   9           HB1      ALA   9  -3.447  -0.655   3.404
   88    HB2  ALA   9           HB2      ALA   9  -2.861  -2.204   2.801
   89    HB3  ALA   9           HB3      ALA   9  -1.727  -0.885   3.090
   90    H    ILE  10           HN       ILE  10  -0.539  -1.637   6.419
   91    HA   ILE  10           HA       ILE  10  -1.323   0.985   7.496
   92    HB   ILE  10           HB       ILE  10   0.818  -0.872   8.568
   93   HG12  ILE  10          HG12      ILE  10  -1.994  -0.440   9.612
   94   HG13  ILE  10          HG11      ILE  10  -1.432  -1.885   8.781
   95   HG21  ILE  10          HG21      ILE  10   0.700   0.574  10.556
   96   HG22  ILE  10          HG22      ILE  10  -0.476   1.595   9.728
   97   HG23  ILE  10          HG23      ILE  10   1.171   1.467   9.109
   98   HD11  ILE  10          HD11      ILE  10  -1.510  -2.242  11.169
   99   HD12  ILE  10          HD12      ILE  10  -0.447  -0.859  11.431
  100   HD13  ILE  10          HD13      ILE  10   0.158  -2.291  10.599
  101    H    LEU  11           HN       LEU  11  -0.295   2.578   6.237
  102    HA   LEU  11           HA       LEU  11   2.087   1.721   4.795
  103    HB2  LEU  11           HB2      LEU  11   0.189   3.951   4.060
  104    HB3  LEU  11           HB1      LEU  11   1.628   3.481   3.179
  105    HG   LEU  11           HG       LEU  11  -0.903   1.867   3.461
  106   HD11  LEU  11          HD11      LEU  11  -1.053   2.234   1.043
  107   HD12  LEU  11          HD12      LEU  11   0.385   3.253   1.118
  108   HD13  LEU  11          HD13      LEU  11  -1.092   3.749   1.943
  109   HD21  LEU  11          HD21      LEU  11   1.025   0.393   3.441
  110   HD22  LEU  11          HD22      LEU  11   1.668   1.226   2.025
  111   HD23  LEU  11          HD23      LEU  11   0.168   0.307   1.902
  112    H    ARG  12           HN       ARG  12   3.887   2.928   5.314
  113    HA   ARG  12           HA       ARG  12   3.435   5.716   6.081
  114    HB2  ARG  12           HB2      ARG  12   3.437   4.255   8.111
  115    HB3  ARG  12           HB1      ARG  12   5.103   3.852   7.751
  116    HG2  ARG  12           HG2      ARG  12   5.863   5.987   8.203
  117    HG3  ARG  12           HG1      ARG  12   4.255   6.690   8.030
  118    HD2  ARG  12           HD2      ARG  12   3.588   5.375  10.068
  119    HD3  ARG  12           HD1      ARG  12   5.299   4.995  10.282
  120    HE   ARG  12           HE       ARG  12   5.515   7.574  10.204
  121   HH11  ARG  12          HH11      ARG  12   2.974   5.736  11.773
  122   HH12  ARG  12          HH12      ARG  12   2.557   7.023  12.870
  123   HH21  ARG  12          HH21      ARG  12   4.981   9.244  11.628
  124   HH22  ARG  12          HH22      ARG  12   3.691   9.029  12.778
  125    H    LEU  13           HN       LEU  13   5.247   7.112   5.927
  126    HA   LEU  13           HA       LEU  13   7.040   6.526   3.777
  127    HB2  LEU  13           HB2      LEU  13   6.475   8.877   5.531
  128    HB3  LEU  13           HB1      LEU  13   8.013   8.782   4.707
  129    HG   LEU  13           HG       LEU  13   6.449  10.213   3.532
  130   HD11  LEU  13          HD11      LEU  13   6.648   9.210   1.308
  131   HD12  LEU  13          HD12      LEU  13   7.071   7.672   2.058
  132   HD13  LEU  13          HD13      LEU  13   8.132   9.067   2.249
  133   HD21  LEU  13          HD21      LEU  13   4.498   9.232   2.337
  134   HD22  LEU  13          HD22      LEU  13   4.296   9.309   4.089
  135   HD23  LEU  13          HD23      LEU  13   4.703   7.774   3.305
  136    H    ALA  14           HN       ALA  14   9.012   5.995   4.054
  137    HA   ALA  14           HA       ALA  14  10.059   4.850   6.295
  138    HB1  ALA  14           HB1      ALA  14  11.620   6.069   4.020
  139    HB2  ALA  14           HB2      ALA  14  10.967   4.432   4.084
  140    HB3  ALA  14           HB3      ALA  14  12.252   4.912   5.191
  141    H    ASP  15           HN       ASP  15  10.368   8.202   5.275
  142    HA   ASP  15           HA       ASP  15  12.174   9.014   7.213
  143    HB2  ASP  15           HB2      ASP  15   9.993  10.626   5.866
  144    HB3  ASP  15           HB1      ASP  15  11.354  11.312   6.757
  145    H    GLY  16           HN       GLY  16   9.056   7.935   7.764
  146    HA2  GLY  16           HA2      GLY  16   8.126   7.935   9.921
  147    HA3  GLY  16           HA1      GLY  16   8.870   9.507  10.222
  148    H    SER  17           HN       SER  17   7.795  10.050   7.339
  149    HA   SER  17           HA       SER  17   5.347  11.333   8.182
  150    HB2  SER  17           HB2      SER  17   6.970  12.354   6.536
  151    HB3  SER  17           HB1      SER  17   6.484  11.106   5.383
  152    HG   SER  17           HG       SER  17   4.842  13.108   6.569
  153    H    GLN  18           HN       GLN  18   3.829  10.871   5.725
  154    HA   GLN  18           HA       GLN  18   3.205   8.051   5.979
  155    HB2  GLN  18           HB2      GLN  18   1.614  10.149   7.237
  156    HB3  GLN  18           HB1      GLN  18   0.737   9.036   6.174
  157    HG2  GLN  18           HG2      GLN  18   2.603   7.680   7.962
  158    HG3  GLN  18           HG1      GLN  18   1.404   8.605   8.847
  159   HE21  GLN  18          HE21      GLN  18   0.390   6.785   9.647
  160   HE22  GLN  18          HE22      GLN  18  -0.545   5.727   8.641
  161    HA   PRO  19           HA       PRO  19   0.984   8.955   2.173
  162    HB2  PRO  19           HB2      PRO  19   0.196   6.224   2.008
  163    HB3  PRO  19           HB1      PRO  19   1.445   7.020   1.049
  164    HG2  PRO  19           HG2      PRO  19   1.870   5.020   2.945
  165    HG3  PRO  19           HG1      PRO  19   3.107   6.097   2.276
  166    HD2  PRO  19           HD2      PRO  19   1.679   6.236   4.884
  167    HD3  PRO  19           HD1      PRO  19   3.337   6.725   4.471
  168    HA   PRO  20           HA       PRO  20  -2.390   8.794   5.099
  169    HB2  PRO  20           HB2      PRO  20  -2.541  11.373   5.401
  170    HB3  PRO  20           HB1      PRO  20  -0.979  10.618   5.683
  171    HG2  PRO  20           HG2      PRO  20  -1.929  12.152   3.300
  172    HG3  PRO  20           HG1      PRO  20  -0.360  12.212   4.132
  173    HD2  PRO  20           HD2      PRO  20  -1.061  10.592   1.900
  174    HD3  PRO  20           HD1      PRO  20   0.446  10.536   2.844
  175    H    PHE  21           HN       PHE  21  -4.543  10.465   4.985
  176    HA   PHE  21           HA       PHE  21  -6.367   9.047   3.707
  177    HB2  PHE  21           HB2      PHE  21  -6.852  10.971   5.148
  178    HB3  PHE  21           HB1      PHE  21  -6.516  12.021   3.792
  179    HD1  PHE  21           HD1      PHE  21  -8.768   9.330   4.939
  180    HD2  PHE  21           HD2      PHE  21  -8.185  12.564   2.237
  181    HE1  PHE  21           HE1      PHE  21 -11.120   9.158   4.232
  182    HE2  PHE  21           HE2      PHE  21 -10.533  12.396   1.521
  183    HZ   PHE  21           HZ       PHE  21 -12.003  10.691   2.519
  184    H    GLY  22           HN       GLY  22  -6.050   8.156   1.743
  185    HA2  GLY  22           HA2      GLY  22  -7.149   8.389  -0.451
  186    HA3  GLY  22           HA1      GLY  22  -6.330   9.932  -0.569
  187    H    ALA  23           HN       ALA  23  -4.292   7.992   1.096
  188    HA   ALA  23           HA       ALA  23  -2.472   7.674  -0.769
  189    HB1  ALA  23           HB1      ALA  23  -2.804   5.651   1.375
  190    HB2  ALA  23           HB2      ALA  23  -2.104   7.255   1.607
  191    HB3  ALA  23           HB3      ALA  23  -1.313   6.091   0.543
  192    H    SER  24           HN       SER  24  -3.536   7.085  -2.707
  193    HA   SER  24           HA       SER  24  -4.567   4.611  -3.322
  194    HB2  SER  24           HB2      SER  24  -4.032   5.098  -5.618
  195    HB3  SER  24           HB1      SER  24  -4.228   6.678  -4.863
  196    HG   SER  24           HG       SER  24  -1.741   5.375  -5.086
  197    H    VAL  25           HN       VAL  25  -3.595   2.499  -3.061
  198    HA   VAL  25           HA       VAL  25  -0.808   2.563  -3.876
  199    HB   VAL  25           HB       VAL  25  -0.424   0.427  -2.902
  200   HG11  VAL  25          HG11      VAL  25  -0.197   2.389  -1.495
  201   HG12  VAL  25          HG12      VAL  25  -0.702   0.991  -0.554
  202   HG13  VAL  25          HG13      VAL  25  -1.877   2.229  -0.998
  203   HG21  VAL  25          HG21      VAL  25  -1.934  -1.077  -2.494
  204   HG22  VAL  25          HG22      VAL  25  -3.189   0.053  -2.990
  205   HG23  VAL  25          HG23      VAL  25  -2.678  -0.016  -1.294
  206    H    THR  26           HN       THR  26  -0.224   2.083  -5.833
  207    HA   THR  26           HA       THR  26  -1.821   0.125  -7.331
  208    HB   THR  26           HB       THR  26  -2.954   2.040  -8.063
  209    HG1  THR  26           HG1      THR  26  -2.364   2.222 -10.216
  210   HG21  THR  26          HG21      THR  26  -0.309   3.459  -8.353
  211   HG22  THR  26          HG22      THR  26  -1.489   3.733  -7.072
  212   HG23  THR  26          HG23      THR  26  -1.890   4.132  -8.742
  213    H    SER  27           HN       SER  27  -0.506  -1.185  -8.612
  214    HA   SER  27           HA       SER  27   2.343  -0.726  -8.061
  215    HB2  SER  27           HB2      SER  27   2.746  -2.989  -8.514
  216    HB3  SER  27           HB1      SER  27   1.191  -2.984  -7.681
  217    HG   SER  27           HG       SER  27   0.903  -4.274  -9.409
  218    H    GLU  28           HN       GLU  28   3.516  -2.039 -10.184
  219    HA   GLU  28           HA       GLU  28   4.351  -0.045 -11.755
  220    HB2  GLU  28           HB2      GLU  28   3.924  -2.852 -12.769
  221    HB3  GLU  28           HB1      GLU  28   5.061  -1.679 -13.411
  222    HG2  GLU  28           HG2      GLU  28   5.173  -2.771 -10.612
  223    HG3  GLU  28           HG1      GLU  28   6.062  -3.449 -11.972
  224    H    LYS  29           HN       LYS  29   1.982  -2.355 -13.148
  225    HA   LYS  29           HA       LYS  29   1.404  -0.630 -15.284
  226    HB2  LYS  29           HB2      LYS  29   1.122  -3.138 -15.262
  227    HB3  LYS  29           HB1      LYS  29  -0.358  -2.895 -14.342
  228    HG2  LYS  29           HG2      LYS  29  -0.662  -1.198 -16.492
  229    HG3  LYS  29           HG1      LYS  29   0.135  -2.606 -17.189
  230    HD2  LYS  29           HD2      LYS  29  -2.378  -2.671 -15.525
  231    HD3  LYS  29           HD1      LYS  29  -2.319  -2.763 -17.284
  232    HE2  LYS  29           HE2      LYS  29  -0.951  -4.815 -17.084
  233    HE3  LYS  29           HE1      LYS  29  -1.141  -4.733 -15.333
  234    HZ1  LYS  29           HZ1      LYS  29  -2.747  -6.242 -16.204
  235    HZ2  LYS  29           HZ2      LYS  29  -3.292  -5.112 -17.344
  236    HZ3  LYS  29           HZ3      LYS  29  -3.575  -4.855 -15.691
  237    H    GLY  30           HN       GLY  30  -0.045  -0.933 -12.145
  238    HA2  GLY  30           HA2      GLY  30  -1.367   1.065 -11.459
  239    HA3  GLY  30           HA1      GLY  30  -2.240   0.813 -12.968
  240    H    ARG  31           HN       ARG  31  -0.942  -1.399 -10.580
  241    HA   ARG  31           HA       ARG  31  -3.380  -2.944 -10.607
  242    HB2  ARG  31           HB2      ARG  31  -0.822  -3.687 -10.006
  243    HB3  ARG  31           HB1      ARG  31  -1.437  -3.297  -8.404
  244    HG2  ARG  31           HG2      ARG  31  -1.841  -5.575  -8.627
  245    HG3  ARG  31           HG1      ARG  31  -3.402  -4.819  -8.946
  246    HD2  ARG  31           HD2      ARG  31  -3.247  -6.382 -10.643
  247    HD3  ARG  31           HD1      ARG  31  -2.671  -4.911 -11.425
  248    HE   ARG  31           HE       ARG  31  -0.560  -6.474 -10.261
  249   HH11  ARG  31          HH11      ARG  31  -2.515  -5.964 -13.121
  250   HH12  ARG  31          HH12      ARG  31  -1.474  -6.899 -14.153
  251   HH21  ARG  31          HH21      ARG  31   0.828  -7.662 -11.608
  252   HH22  ARG  31          HH22      ARG  31   0.450  -7.838 -13.299
  253    H    GLU  32           HN       GLU  32  -4.903  -1.447  -9.881
  254    HA   GLU  32           HA       GLU  32  -4.295   0.150  -7.619
  255    HB2  GLU  32           HB2      GLU  32  -7.086  -0.045  -8.640
  256    HB3  GLU  32           HB1      GLU  32  -6.145   1.376  -8.212
  257    HG2  GLU  32           HG2      GLU  32  -4.771   0.936 -10.307
  258    HG3  GLU  32           HG1      GLU  32  -6.017  -0.242 -10.733
  259    H    LEU  33           HN       LEU  33  -4.211  -0.741  -5.721
  260    HA   LEU  33           HA       LEU  33  -6.400  -2.527  -4.860
  261    HB2  LEU  33           HB2      LEU  33  -4.580  -3.408  -3.307
  262    HB3  LEU  33           HB1      LEU  33  -4.671  -3.897  -4.964
  263    HG   LEU  33           HG       LEU  33  -2.865  -1.651  -4.577
  264   HD11  LEU  33          HD11      LEU  33  -2.531  -2.798  -2.432
  265   HD12  LEU  33          HD12      LEU  33  -1.121  -2.954  -3.482
  266   HD13  LEU  33          HD13      LEU  33  -2.235  -4.309  -3.292
  267   HD21  LEU  33          HD21      LEU  33  -3.026  -2.969  -6.638
  268   HD22  LEU  33          HD22      LEU  33  -2.535  -4.412  -5.752
  269   HD23  LEU  33          HD23      LEU  33  -1.412  -3.064  -5.934
  270    H    GLY  34           HN       GLY  34  -4.590   0.299  -4.093
  271    HA2  GLY  34           HA2      GLY  34  -5.864   0.300  -1.420
  272    HA3  GLY  34           HA1      GLY  34  -4.194   0.724  -1.672
  273    H    MET  35           HN       MET  35  -6.290   2.090  -0.312
  274    HA   MET  35           HA       MET  35  -5.582   4.761  -1.102
  275    HB2  MET  35           HB2      MET  35  -8.531   4.331  -0.745
  276    HB3  MET  35           HB1      MET  35  -7.675   5.695  -1.468
  277    HG2  MET  35           HG2      MET  35  -7.317   4.574  -3.451
  278    HG3  MET  35           HG1      MET  35  -7.697   2.993  -2.711
  279    HE1  MET  35           HE1      MET  35  -8.904   3.903  -5.519
  280    HE2  MET  35           HE2      MET  35 -10.594   3.431  -5.337
  281    HE3  MET  35           HE3      MET  35  -9.315   2.374  -4.739
  282    H    VAL  36           HN       VAL  36  -4.849   5.276   0.946
  283    HA   VAL  36           HA       VAL  36  -5.984   3.827   3.183
  284    HB   VAL  36           HB       VAL  36  -4.448   4.886   4.591
  285   HG11  VAL  36          HG11      VAL  36  -3.468   3.190   3.254
  286   HG12  VAL  36          HG12      VAL  36  -2.295   4.478   3.535
  287   HG13  VAL  36          HG13      VAL  36  -3.118   4.358   1.979
  288   HG21  VAL  36          HG21      VAL  36  -2.981   6.736   3.879
  289   HG22  VAL  36          HG22      VAL  36  -4.684   7.152   4.062
  290   HG23  VAL  36          HG23      VAL  36  -4.009   6.904   2.454
  291    H    ALA  37           HN       ALA  37  -7.242   4.698   4.872
  292    HA   ALA  37           HA       ALA  37  -8.396   7.316   4.261
  293    HB1  ALA  37           HB1      ALA  37 -10.008   4.922   5.118
  294    HB2  ALA  37           HB2      ALA  37 -10.015   5.661   3.515
  295    HB3  ALA  37           HB3      ALA  37 -10.615   6.565   4.904
  296    H    ASP  38           HN       ASP  38  -7.790   8.559   5.826
  297    HA   ASP  38           HA       ASP  38  -7.581   9.482   7.887
  298    HB2  ASP  38           HB2      ASP  38  -9.702   8.385   8.524
  299    HB3  ASP  38           HB1      ASP  38  -8.806   6.938   8.968
  300    H    GLU  39           HN       GLU  39  -5.751   9.712   8.948
  301    HA   GLU  39           HA       GLU  39  -3.633   9.392   9.634
  302    HB2  GLU  39           HB2      GLU  39  -4.585   6.572  10.159
  303    HB3  GLU  39           HB1      GLU  39  -3.130   7.308  10.828
  304    HG2  GLU  39           HG2      GLU  39  -5.970   8.160  11.346
  305    HG3  GLU  39           HG1      GLU  39  -4.904   7.310  12.463
  306    H    GLY  40           HN       GLY  40  -3.916   6.066   8.523
  307    HA2  GLY  40           HA2      GLY  40  -2.648   6.431   5.995
  308    HA3  GLY  40           HA1      GLY  40  -1.473   5.966   7.223
  309    H    LEU  41           HN       LEU  41  -4.784   4.905   7.358
  310    HA   LEU  41           HA       LEU  41  -3.936   2.208   6.934
  311    HB2  LEU  41           HB2      LEU  41  -5.944   3.747   8.493
  312    HB3  LEU  41           HB1      LEU  41  -6.223   2.078   8.191
  313    HG   LEU  41           HG       LEU  41  -5.247   2.037  10.287
  314   HD11  LEU  41          HD11      LEU  41  -2.925   1.791   8.390
  315   HD12  LEU  41          HD12      LEU  41  -4.060   0.512   8.820
  316   HD13  LEU  41          HD13      LEU  41  -2.980   1.181  10.043
  317   HD21  LEU  41          HD21      LEU  41  -3.339   3.429  10.936
  318   HD22  LEU  41          HD22      LEU  41  -4.707   4.402  10.401
  319   HD23  LEU  41          HD23      LEU  41  -3.326   4.155   9.330
  320    H    ALA  42           HN       ALA  42  -4.565   1.215   5.071
  321    HA   ALA  42           HA       ALA  42  -7.273   1.863   4.054
  322    HB1  ALA  42           HB1      ALA  42  -5.183   2.465   2.451
  323    HB2  ALA  42           HB2      ALA  42  -6.697   1.826   1.801
  324    HB3  ALA  42           HB3      ALA  42  -5.327   0.748   2.085
  325    H    TRP  43           HN       TRP  43  -8.417  -0.190   4.842
  326    HA   TRP  43           HA       TRP  43  -6.883  -2.409   4.472
  327    HB2  TRP  43           HB2      TRP  43  -9.845  -2.785   4.339
  328    HB3  TRP  43           HB1      TRP  43  -8.610  -3.807   5.050
  329    HD1  TRP  43           HD1      TRP  43 -11.118  -1.700   6.450
  330    HE1  TRP  43           HE1      TRP  43 -10.268  -0.535   8.594
  331    HE3  TRP  43           HE3      TRP  43  -6.133  -2.588   5.929
  332    HZ2  TRP  43           HZ2      TRP  43  -7.789  -0.109   9.768
  333    HZ3  TRP  43           HZ3      TRP  43  -4.581  -1.747   7.634
  334    HH2  TRP  43           HH2      TRP  43  -5.412  -0.514   9.556
  335    H    LEU  44           HN       LEU  44  -6.064  -2.404   2.439
  336    HA   LEU  44           HA       LEU  44  -7.701  -2.715   0.098
  337    HB2  LEU  44           HB2      LEU  44  -6.537  -0.115   0.908
  338    HB3  LEU  44           HB1      LEU  44  -6.176  -0.608  -0.737
  339    HG   LEU  44           HG       LEU  44  -8.614   0.545   0.352
  340   HD11  LEU  44          HD11      LEU  44  -9.038   0.952  -2.043
  341   HD12  LEU  44          HD12      LEU  44  -7.643  -0.069  -2.442
  342   HD13  LEU  44          HD13      LEU  44  -7.408   1.440  -1.558
  343   HD21  LEU  44          HD21      LEU  44  -9.401  -1.761   0.338
  344   HD22  LEU  44          HD22      LEU  44  -8.911  -1.899  -1.352
  345   HD23  LEU  44          HD23      LEU  44 -10.193  -0.780  -0.894
  346    H    SER  45           HN       SER  45  -6.514  -3.634  -1.441
  347    HA   SER  45           HA       SER  45  -4.096  -3.739  -2.041
  348    HB2  SER  45           HB2      SER  45  -3.433  -4.267   0.336
  349    HB3  SER  45           HB1      SER  45  -4.097  -5.881   0.064
  350    HG   SER  45           HG       SER  45  -1.693  -5.015  -0.541
  351    H    GLY  46           HN       GLY  46  -4.243  -7.026  -1.482
  352    HA2  GLY  46           HA2      GLY  46  -5.065  -8.392  -3.200
  353    HA3  GLY  46           HA1      GLY  46  -5.264  -6.993  -4.237
  354    H    VAL  47           HN       VAL  47  -2.380  -6.675  -2.763
  355    HA   VAL  47           HA       VAL  47  -0.971  -6.995  -5.231
  356    HB   VAL  47           HB       VAL  47  -0.562  -5.212  -3.469
  357   HG11  VAL  47          HG11      VAL  47  -0.507  -6.600  -1.495
  358   HG12  VAL  47          HG12      VAL  47   1.035  -5.764  -1.682
  359   HG13  VAL  47          HG13      VAL  47   0.898  -7.468  -2.112
  360   HG21  VAL  47          HG21      VAL  47   1.840  -5.094  -3.886
  361   HG22  VAL  47          HG22      VAL  47   0.954  -5.538  -5.347
  362   HG23  VAL  47          HG23      VAL  47   1.828  -6.769  -4.437
  363    H    THR  48           HN       THR  48   1.041  -8.260  -5.432
  364    HA   THR  48           HA       THR  48   0.735 -10.872  -4.098
  365    HB   THR  48           HB       THR  48   2.273 -10.382  -6.650
  366    HG1  THR  48           HG1      THR  48  -0.255 -10.085  -6.472
  367   HG21  THR  48          HG21      THR  48   2.826 -12.427  -5.401
  368   HG22  THR  48          HG22      THR  48   2.037 -12.802  -6.932
  369   HG23  THR  48          HG23      THR  48   1.126 -12.899  -5.427
  370    HA   PRO  49           HA       PRO  49   4.261  -9.868  -1.577
  371    HB2  PRO  49           HB2      PRO  49   4.955 -12.681  -2.345
  372    HB3  PRO  49           HB1      PRO  49   5.006 -11.907  -0.756
  373    HG2  PRO  49           HG2      PRO  49   2.992 -13.517  -1.441
  374    HG3  PRO  49           HG1      PRO  49   2.720 -12.065  -0.455
  375    HD2  PRO  49           HD2      PRO  49   2.003 -12.589  -3.277
  376    HD3  PRO  49           HD1      PRO  49   1.283 -11.458  -2.115
  377    H    GLY  50           HN       GLY  50   5.931  -8.589  -2.366
  378    HA2  GLY  50           HA2      GLY  50   8.284  -8.747  -3.003
  379    HA3  GLY  50           HA1      GLY  50   7.844 -10.038  -4.116
  380    H    GLU  51           HN       GLU  51   6.449  -6.732  -3.626
  381    HA   GLU  51           HA       GLU  51   6.880  -6.392  -6.468
  382    HB2  GLU  51           HB2      GLU  51   4.221  -5.865  -5.194
  383    HB3  GLU  51           HB1      GLU  51   4.690  -5.313  -6.797
  384    HG2  GLU  51           HG2      GLU  51   5.166  -7.778  -7.273
  385    HG3  GLU  51           HG1      GLU  51   4.254  -8.062  -5.804
  386    H    THR  52           HN       THR  52   6.029  -4.047  -7.055
  387    HA   THR  52           HA       THR  52   6.614  -2.316  -4.803
  388    HB   THR  52           HB       THR  52   7.290  -1.669  -7.677
  389    HG1  THR  52           HG1      THR  52   8.593  -3.252  -5.849
  390   HG21  THR  52          HG21      THR  52   8.710   0.065  -6.671
  391   HG22  THR  52          HG22      THR  52   8.168  -0.425  -5.065
  392   HG23  THR  52          HG23      THR  52   7.021   0.273  -6.209
  393    H    LEU  53           HN       LEU  53   4.957  -1.195  -4.222
  394    HA   LEU  53           HA       LEU  53   2.631  -0.728  -5.906
  395    HB2  LEU  53           HB2      LEU  53   3.409  -0.219  -3.060
  396    HB3  LEU  53           HB1      LEU  53   2.074   0.682  -3.764
  397    HG   LEU  53           HG       LEU  53   2.220  -2.309  -3.676
  398   HD11  LEU  53          HD11      LEU  53   0.582  -2.173  -1.869
  399   HD12  LEU  53          HD12      LEU  53   0.726  -0.415  -1.869
  400   HD13  LEU  53          HD13      LEU  53   2.105  -1.413  -1.408
  401   HD21  LEU  53          HD21      LEU  53   0.851  -1.473  -5.456
  402   HD22  LEU  53          HD22      LEU  53   0.095  -0.299  -4.372
  403   HD23  LEU  53          HD23      LEU  53  -0.216  -2.029  -4.164
  404    H    SER  54           HN       SER  54   2.013   1.390  -6.612
  405    HA   SER  54           HA       SER  54   3.804   3.532  -5.860
  406    HB2  SER  54           HB2      SER  54   1.769   3.583  -8.077
  407    HB3  SER  54           HB1      SER  54   3.138   4.678  -7.854
  408    HG   SER  54           HG       SER  54   3.071   2.052  -8.814
  409    H    VAL  55           HN       VAL  55   3.119   5.205  -4.557
  410    HA   VAL  55           HA       VAL  55   0.319   4.890  -3.746
  411    HB   VAL  55           HB       VAL  55   2.623   5.528  -1.936
  412   HG11  VAL  55          HG11      VAL  55   0.519   6.525  -1.196
  413   HG12  VAL  55          HG12      VAL  55   1.027   5.222  -0.121
  414   HG13  VAL  55          HG13      VAL  55  -0.259   4.947  -1.296
  415   HG21  VAL  55          HG21      VAL  55   2.910   3.294  -2.545
  416   HG22  VAL  55          HG22      VAL  55   1.179   2.973  -2.484
  417   HG23  VAL  55          HG23      VAL  55   2.076   3.245  -0.990
  418    H    ASN  56           HN       ASN  56  -0.903   6.611  -3.796
  419    HA   ASN  56           HA       ASN  56   0.375   9.203  -4.446
  420    HB2  ASN  56           HB2      ASN  56  -0.556   8.742  -6.481
  421    HB3  ASN  56           HB1      ASN  56  -1.702   7.599  -5.816
  422   HD21  ASN  56          HD21      ASN  56  -3.686   8.290  -5.137
  423   HD22  ASN  56          HD22      ASN  56  -4.319   9.863  -5.543
  424    H    TRP  57           HN       TRP  57  -0.392  11.025  -3.299
  425    HA   TRP  57           HA       TRP  57  -3.198  10.992  -2.702
  426    HB2  TRP  57           HB2      TRP  57  -3.028  11.326  -0.399
  427    HB3  TRP  57           HB1      TRP  57  -1.936  10.017  -0.814
  428    HD1  TRP  57           HD1      TRP  57  -1.976  13.604   0.333
  429    HE1  TRP  57           HE1      TRP  57   0.253  14.210   1.444
  430    HE3  TRP  57           HE3      TRP  57   0.598   9.301  -0.661
  431    HZ2  TRP  57           HZ2      TRP  57   2.684  13.014   1.850
  432    HZ3  TRP  57           HZ3      TRP  57   2.900   9.152   0.225
  433    HH2  TRP  57           HH2      TRP  57   3.924  10.962   1.438
  434    H    ASP  58           HN       ASP  58  -2.820  13.438  -0.914
  435    HA   ASP  58           HA       ASP  58  -3.073  15.630  -2.362
  436    HB2  ASP  58           HB2      ASP  58  -1.396  15.200   0.082
  437    HB3  ASP  58           HB1      ASP  58  -1.410  16.774  -0.689
  438    H    GLY  59           HN       GLY  59   0.261  14.529  -1.462
  439    HA2  GLY  59           HA2      GLY  59   1.360  16.202  -3.586
  440    HA3  GLY  59           HA1      GLY  59   2.255  15.061  -2.575
  441    H    LYS  60           HN       LYS  60  -0.383  13.523  -3.634
  442    HA   LYS  60           HA       LYS  60  -0.875  11.936  -5.097
  443    HB2  LYS  60           HB2      LYS  60   0.914  13.614  -6.795
  444    HB3  LYS  60           HB1      LYS  60  -0.023  12.248  -7.420
  445    HG2  LYS  60           HG2      LYS  60  -1.774  13.716  -5.795
  446    HG3  LYS  60           HG1      LYS  60  -0.900  14.908  -6.799
  447    HD2  LYS  60           HD2      LYS  60  -1.543  13.772  -8.824
  448    HD3  LYS  60           HD1      LYS  60  -2.253  12.444  -7.906
  449    HE2  LYS  60           HE2      LYS  60  -4.013  13.872  -8.713
  450    HE3  LYS  60           HE1      LYS  60  -3.898  14.031  -6.962
  451    HZ1  LYS  60           HZ1      LYS  60  -4.189  16.163  -8.086
  452    HZ2  LYS  60           HZ2      LYS  60  -2.731  15.935  -8.921
  453    HZ3  LYS  60           HZ3      LYS  60  -2.727  16.104  -7.233
  454    H    ILE  61           HN       ILE  61   1.395  11.139  -7.082
  455    HA   ILE  61           HA       ILE  61   1.842   8.807  -5.405
  456    HB   ILE  61           HB       ILE  61   1.523   9.073  -8.265
  457   HG12  ILE  61          HG12      ILE  61   2.078   6.529  -6.744
  458   HG13  ILE  61          HG11      ILE  61   0.529   7.353  -6.585
  459   HG21  ILE  61          HG21      ILE  61   3.347   7.660  -9.045
  460   HG22  ILE  61          HG22      ILE  61   4.066   7.685  -7.435
  461   HG23  ILE  61          HG23      ILE  61   3.961   9.173  -8.377
  462   HD11  ILE  61          HD11      ILE  61   0.395   5.571  -8.207
  463   HD12  ILE  61          HD12      ILE  61   1.733   6.265  -9.124
  464   HD13  ILE  61          HD13      ILE  61   0.200   7.129  -9.010
  465    H    GLN  62           HN       GLN  62   3.473   9.053  -4.113
  466    HA   GLN  62           HA       GLN  62   5.760  10.492  -5.075
  467    HB2  GLN  62           HB2      GLN  62   5.624  11.421  -2.465
  468    HB3  GLN  62           HB1      GLN  62   5.469  12.306  -3.966
  469    HG2  GLN  62           HG2      GLN  62   3.096  12.202  -3.888
  470    HG3  GLN  62           HG1      GLN  62   3.117  11.201  -2.419
  471   HE21  GLN  62          HE21      GLN  62   1.968  12.886  -1.279
  472   HE22  GLN  62          HE22      GLN  62   2.807  14.329  -0.766
  473    H    CYS  63           HN       CYS  63   4.354   8.541  -2.592
  474    HA   CYS  63           HA       CYS  63   7.029   7.439  -2.111
  475    HB2  CYS  63           HB2      CYS  63   6.350   6.592   0.000
  476    HB3  CYS  63           HB1      CYS  63   5.860   8.287  -0.028
  477    H    GLN  64           HN       GLN  64   7.061   5.077  -2.156
  478    HA   GLN  64           HA       GLN  64   4.781   3.935  -3.485
  479    HB2  GLN  64           HB2      GLN  64   7.539   3.854  -4.705
  480    HB3  GLN  64           HB1      GLN  64   6.163   2.877  -5.229
  481    HG2  GLN  64           HG2      GLN  64   4.900   4.862  -5.704
  482    HG3  GLN  64           HG1      GLN  64   6.237   5.850  -5.137
  483   HE21  GLN  64          HE21      GLN  64   6.662   2.948  -7.023
  484   HE22  GLN  64          HE22      GLN  64   7.232   3.721  -8.459
  485    H    VAL  65           HN       VAL  65   4.979   1.462  -3.347
  486    HA   VAL  65           HA       VAL  65   6.137   1.362  -0.740
  487    HB   VAL  65           HB       VAL  65   3.417   0.584  -1.503
  488   HG11  VAL  65          HG11      VAL  65   4.350  -1.669  -1.235
  489   HG12  VAL  65          HG12      VAL  65   3.242  -1.274   0.080
  490   HG13  VAL  65          HG13      VAL  65   4.984  -1.218   0.347
  491   HG21  VAL  65          HG21      VAL  65   3.016   1.034   0.851
  492   HG22  VAL  65          HG22      VAL  65   3.940   2.334   0.095
  493   HG23  VAL  65          HG23      VAL  65   4.755   1.152   1.121
  494    H    ASN  66           HN       ASN  66   7.261  -0.512  -0.129
  495    HA   ASN  66           HA       ASN  66   7.726  -2.357  -2.364
  496    HB2  ASN  66           HB2      ASN  66   9.747  -1.439  -1.274
  497    HB3  ASN  66           HB1      ASN  66   9.223  -2.129   0.266
  498   HD21  ASN  66          HD21      ASN  66  11.164  -3.325   0.369
  499   HD22  ASN  66          HD22      ASN  66  11.374  -4.762  -0.579
  500    H    VAL  67           HN       VAL  67   6.797  -4.300  -2.406
  501    HA   VAL  67           HA       VAL  67   5.240  -5.069  -0.058
  502    HB   VAL  67           HB       VAL  67   3.486  -5.414  -1.335
  503   HG11  VAL  67          HG11      VAL  67   4.245  -3.578  -2.666
  504   HG12  VAL  67          HG12      VAL  67   3.412  -4.773  -3.659
  505   HG13  VAL  67          HG13      VAL  67   5.173  -4.683  -3.684
  506   HG21  VAL  67          HG21      VAL  67   3.381  -7.124  -3.032
  507   HG22  VAL  67          HG22      VAL  67   4.272  -7.691  -1.619
  508   HG23  VAL  67          HG23      VAL  67   5.143  -7.201  -3.072
  509    HA   PRO  68           HA       PRO  68   8.210  -8.272   0.236
  510    HB2  PRO  68           HB2      PRO  68   7.701  -8.923   2.769
  511    HB3  PRO  68           HB1      PRO  68   8.404  -7.357   2.353
  512    HG2  PRO  68           HG2      PRO  68   5.629  -8.027   3.175
  513    HG3  PRO  68           HG1      PRO  68   6.568  -6.554   3.471
  514    HD2  PRO  68           HD2      PRO  68   4.623  -6.967   1.447
  515    HD3  PRO  68           HD1      PRO  68   5.703  -5.572   1.622
  516    H    GLU  69           HN       GLU  69   8.315 -10.544   0.693
  517    HA   GLU  69           HA       GLU  69   6.255 -12.023  -0.375
  518    HB2  GLU  69           HB2      GLU  69   8.481 -13.110   1.355
  519    HB3  GLU  69           HB1      GLU  69   7.586 -13.977   0.117
  520    HG2  GLU  69           HG2      GLU  69   9.527 -13.508  -0.988
  521    HG3  GLU  69           HG1      GLU  69   8.536 -12.129  -1.462
  522    H    THR  70           HN       THR  70   6.554 -10.930   2.801
  523    HA   THR  70           HA       THR  70   5.222 -13.102   4.110
  524    HB   THR  70           HB       THR  70   5.155 -11.351   6.014
  525    HG1  THR  70           HG1      THR  70   5.794  -9.415   5.443
  526   HG21  THR  70          HG21      THR  70   6.786 -13.177   5.905
  527   HG22  THR  70          HG22      THR  70   7.531 -11.696   6.505
  528   HG23  THR  70          HG23      THR  70   7.805 -12.208   4.840
  529    H    ALA  71           HN       ALA  71   3.619 -11.903   1.942
  530    HA   ALA  71           HA       ALA  71   1.527 -10.545   3.492
  531    HB1  ALA  71           HB1      ALA  71   2.167 -10.007   0.599
  532    HB2  ALA  71           HB2      ALA  71   2.612  -8.960   1.947
  533    HB3  ALA  71           HB3      ALA  71   0.912  -9.228   1.562
  534    H    ILE  72           HN       ILE  72  -0.641 -10.802   2.667
  535    HA   ILE  72           HA       ILE  72  -1.329 -12.772   0.785
  536    HB   ILE  72           HB       ILE  72  -0.408 -14.107   2.826
  537   HG12  ILE  72          HG12      ILE  72  -2.104 -15.894   2.445
  538   HG13  ILE  72          HG11      ILE  72  -3.113 -14.721   1.606
  539   HG21  ILE  72          HG21      ILE  72  -2.124 -14.647   4.509
  540   HG22  ILE  72          HG22      ILE  72  -3.159 -13.394   3.824
  541   HG23  ILE  72          HG23      ILE  72  -1.621 -12.957   4.567
  542   HD11  ILE  72          HD11      ILE  72  -1.908 -16.118   0.041
  543   HD12  ILE  72          HD12      ILE  72  -0.372 -15.624   0.755
  544   HD13  ILE  72          HD13      ILE  72  -1.377 -14.441  -0.082
  545    H    SER  73           HN       SER  73  -3.810 -13.306   1.109
  546    HA   SER  73           HA       SER  73  -5.183 -10.883   0.840
  547    HB2  SER  73           HB2      SER  73  -7.219 -12.471   1.121
  548    HB3  SER  73           HB1      SER  73  -6.124 -12.725  -0.240
  549    HG   SER  73           HG       SER  73  -6.182 -14.133   2.221
  550    H    ASP  74           HN       ASP  74  -6.227  -9.512   2.205
  551    HA   ASP  74           HA       ASP  74  -7.250  -8.694   4.064
  552    HB2  ASP  74           HB2      ASP  74  -7.593 -11.590   4.854
  553    HB3  ASP  74           HB1      ASP  74  -8.386 -10.226   5.634
  554    H    GLN  75           HN       GLN  75  -4.304 -10.114   4.192
  555    HA   GLN  75           HA       GLN  75  -3.976 -10.213   7.039
  556    HB2  GLN  75           HB2      GLN  75  -2.766 -11.681   5.370
  557    HB3  GLN  75           HB1      GLN  75  -1.785 -10.279   4.968
  558    HG2  GLN  75           HG2      GLN  75  -1.213 -10.165   7.440
  559    HG3  GLN  75           HG1      GLN  75  -1.913 -11.778   7.561
  560   HE21  GLN  75          HE21      GLN  75   0.698  -9.863   6.402
  561   HE22  GLN  75          HE22      GLN  75   1.743 -11.175   5.928
  562    H    GLN  76           HN       GLN  76  -2.272  -9.031   8.193
  563    HA   GLN  76           HA       GLN  76  -2.451  -6.191   7.559
  564    HB2  GLN  76           HB2      GLN  76  -1.389  -5.888   9.804
  565    HB3  GLN  76           HB1      GLN  76  -2.956  -6.680   9.840
  566    HG2  GLN  76           HG2      GLN  76  -1.910  -8.827  10.162
  567    HG3  GLN  76           HG1      GLN  76  -0.311  -8.106   9.989
  568   HE21  GLN  76          HE21      GLN  76   0.548  -6.931  11.657
  569   HE22  GLN  76          HE22      GLN  76  -0.143  -6.918  13.254
  570    H    LEU  77           HN       LEU  77  -0.694  -4.931   7.054
  571    HA   LEU  77           HA       LEU  77   1.877  -6.145   6.882
  572    HB2  LEU  77           HB2      LEU  77   0.379  -5.347   4.395
  573    HB3  LEU  77           HB1      LEU  77   2.116  -5.179   4.470
  574    HG   LEU  77           HG       LEU  77   1.736  -7.200   3.353
  575   HD11  LEU  77          HD11      LEU  77   3.474  -7.401   5.001
  576   HD12  LEU  77          HD12      LEU  77   2.601  -8.928   4.866
  577   HD13  LEU  77          HD13      LEU  77   2.298  -7.856   6.233
  578   HD21  LEU  77          HD21      LEU  77  -0.630  -7.457   3.902
  579   HD22  LEU  77          HD22      LEU  77  -0.193  -8.001   5.522
  580   HD23  LEU  77          HD23      LEU  77   0.260  -8.964   4.116
  581    H    LEU  78           HN       LEU  78   3.230  -4.598   7.564
  582    HA   LEU  78           HA       LEU  78   2.177  -1.877   7.605
  583    HB2  LEU  78           HB2      LEU  78   4.535  -3.089   9.074
  584    HB3  LEU  78           HB1      LEU  78   4.196  -1.365   9.042
  585    HG   LEU  78           HG       LEU  78   1.929  -1.960  10.079
  586   HD11  LEU  78          HD11      LEU  78   1.859  -4.044  11.361
  587   HD12  LEU  78          HD12      LEU  78   3.389  -4.540  10.637
  588   HD13  LEU  78          HD13      LEU  78   1.957  -4.353   9.627
  589   HD21  LEU  78          HD21      LEU  78   2.883  -2.024  12.329
  590   HD22  LEU  78          HD22      LEU  78   3.727  -0.865  11.301
  591   HD23  LEU  78          HD23      LEU  78   4.459  -2.431  11.650
  592    H    LEU  79           HN       LEU  79   2.741  -0.853   5.699
  593    HA   LEU  79           HA       LEU  79   4.872  -2.159   4.175
  594    HB2  LEU  79           HB2      LEU  79   2.515  -0.548   3.231
  595    HB3  LEU  79           HB1      LEU  79   3.805  -1.110   2.185
  596    HG   LEU  79           HG       LEU  79   1.970  -2.903   3.783
  597   HD11  LEU  79          HD11      LEU  79   0.963  -3.469   1.641
  598   HD12  LEU  79          HD12      LEU  79   2.004  -2.301   0.830
  599   HD13  LEU  79          HD13      LEU  79   0.788  -1.747   1.980
  600   HD21  LEU  79          HD21      LEU  79   2.953  -4.694   2.421
  601   HD22  LEU  79          HD22      LEU  79   4.160  -3.892   3.425
  602   HD23  LEU  79          HD23      LEU  79   4.063  -3.527   1.702
  603    HA   PRO  80           HA       PRO  80   7.239   1.559   4.518
  604    HB2  PRO  80           HB2      PRO  80   9.332   0.710   3.055
  605    HB3  PRO  80           HB1      PRO  80   9.019   0.093   4.681
  606    HG2  PRO  80           HG2      PRO  80   8.459  -1.164   2.035
  607    HG3  PRO  80           HG1      PRO  80   9.035  -1.912   3.538
  608    HD2  PRO  80           HD2      PRO  80   6.420  -1.970   2.651
  609    HD3  PRO  80           HD1      PRO  80   6.921  -2.189   4.338
  610    H    CYS  81           HN       CYS  81   6.631   3.273   3.440
  611    HA   CYS  81           HA       CYS  81   6.316   3.181   0.528
  612    HB2  CYS  81           HB2      CYS  81   4.759   4.294   2.515
  613    HB3  CYS  81           HB1      CYS  81   5.659   5.686   1.907
  614    H    THR  82           HN       THR  82   8.256   3.451  -0.388
  615    HA   THR  82           HA       THR  82  10.154   5.371   0.724
  616    HB   THR  82           HB       THR  82  10.446   3.375  -1.529
  617    HG1  THR  82           HG1      THR  82  11.901   3.199   0.864
  618   HG21  THR  82          HG21      THR  82  11.926   5.275  -1.879
  619   HG22  THR  82          HG22      THR  82  12.855   3.861  -1.381
  620   HG23  THR  82          HG23      THR  82  12.512   5.145  -0.221
  621    HA   PRO  83           HA       PRO  83   8.770   8.339  -2.353
  622    HB2  PRO  83           HB2      PRO  83  10.550  10.275  -1.684
  623    HB3  PRO  83           HB1      PRO  83   9.084   9.963  -0.747
  624    HG2  PRO  83           HG2      PRO  83  11.895   9.078  -0.219
  625    HG3  PRO  83           HG1      PRO  83  10.687   9.713   0.915
  626    HD2  PRO  83           HD2      PRO  83  11.219   7.065   0.676
  627    HD3  PRO  83           HD1      PRO  83   9.611   7.684   1.100
  628    H    GLN  84           HN       GLN  84   9.433   8.419  -4.449
  629    HA   GLN  84           HA       GLN  84  12.209   7.612  -4.966
  630    HB2  GLN  84           HB2      GLN  84   9.739   6.978  -6.576
  631    HB3  GLN  84           HB1      GLN  84  11.380   6.769  -7.186
  632    HG2  GLN  84           HG2      GLN  84  11.811   5.243  -5.252
  633    HG3  GLN  84           HG1      GLN  84  10.090   5.334  -4.876
  634   HE21  GLN  84          HE21      GLN  84   9.870   3.097  -5.225
  635   HE22  GLN  84          HE22      GLN  84   9.856   2.440  -6.838
  636    H    LYS  85           HN       LYS  85  13.157   9.534  -5.229
  637    HA   LYS  85           HA       LYS  85  12.065  11.328  -7.297
  638    HB2  LYS  85           HB2      LYS  85  14.040  11.910  -5.084
  639    HB3  LYS  85           HB1      LYS  85  13.641  13.031  -6.378
  640    HG2  LYS  85           HG2      LYS  85  11.284  13.001  -5.596
  641    HG3  LYS  85           HG1      LYS  85  11.805  12.014  -4.223
  642    HD2  LYS  85           HD2      LYS  85  13.354  13.768  -3.538
  643    HD3  LYS  85           HD1      LYS  85  12.873  14.748  -4.921
  644    HE2  LYS  85           HE2      LYS  85  10.572  14.807  -4.018
  645    HE3  LYS  85           HE1      LYS  85  11.137  13.921  -2.600
  646    HZ1  LYS  85           HZ1      LYS  85  12.723  15.754  -2.203
  647    HZ2  LYS  85           HZ2      LYS  85  11.104  16.248  -2.099
  648    HZ3  LYS  85           HZ3      LYS  85  12.017  16.618  -3.483
  Start of MODEL    6
    1    H1   VAL   1           HT1      VAL   1  -8.878 -17.729   0.043
    2    H2   VAL   1           HT2      VAL   1  -8.332 -16.182   0.476
    3    H3   VAL   1           HT3      VAL   1  -9.583 -16.915   1.354
    4    HA   VAL   1           HA       VAL   1  -7.512 -16.993   2.564
    5    HB   VAL   1           HB       VAL   1  -9.192 -18.791   2.844
    6   HG11  VAL   1          HG11      VAL   1  -9.202 -19.724   0.612
    7   HG12  VAL   1          HG12      VAL   1  -8.824 -20.982   1.788
    8   HG13  VAL   1          HG13      VAL   1  -7.539 -20.275   0.806
    9   HG21  VAL   1          HG21      VAL   1  -7.203 -18.789   4.239
   10   HG22  VAL   1          HG22      VAL   1  -6.343 -19.749   3.034
   11   HG23  VAL   1          HG23      VAL   1  -7.726 -20.435   3.888
   12    H    LEU   2           HN       LEU   2  -7.309 -18.145  -0.724
   13    HA   LEU   2           HA       LEU   2  -4.657 -19.054  -0.591
   14    HB2  LEU   2           HB2      LEU   2  -6.471 -19.447  -2.381
   15    HB3  LEU   2           HB1      LEU   2  -5.960 -17.918  -3.057
   16    HG   LEU   2           HG       LEU   2  -4.077 -20.244  -2.674
   17   HD11  LEU   2          HD11      LEU   2  -5.704 -19.483  -5.099
   18   HD12  LEU   2          HD12      LEU   2  -5.858 -20.962  -4.150
   19   HD13  LEU   2          HD13      LEU   2  -4.395 -20.664  -5.086
   20   HD21  LEU   2          HD21      LEU   2  -3.026 -18.038  -2.920
   21   HD22  LEU   2          HD22      LEU   2  -3.923 -17.783  -4.417
   22   HD23  LEU   2          HD23      LEU   2  -2.717 -19.067  -4.320
   23    H    LYS   3           HN       LYS   3  -3.012 -17.823   0.028
   24    HA   LYS   3           HA       LYS   3  -1.342 -16.296  -0.141
   25    HB2  LYS   3           HB2      LYS   3  -1.232 -16.208  -2.440
   26    HB3  LYS   3           HB1      LYS   3  -2.880 -15.631  -2.611
   27    HG2  LYS   3           HG2      LYS   3  -1.273 -13.939  -3.274
   28    HG3  LYS   3           HG1      LYS   3  -2.200 -13.418  -1.868
   29    HD2  LYS   3           HD2      LYS   3  -0.322 -14.052  -0.417
   30    HD3  LYS   3           HD1      LYS   3   0.604 -14.531  -1.843
   31    HE2  LYS   3           HE2      LYS   3   1.236 -12.293  -1.102
   32    HE3  LYS   3           HE1      LYS   3   0.487 -12.246  -2.696
   33    HZ1  LYS   3           HZ1      LYS   3  -1.637 -11.674  -1.483
   34    HZ2  LYS   3           HZ2      LYS   3  -0.440 -10.479  -1.493
   35    HZ3  LYS   3           HZ3      LYS   3  -0.686 -11.416  -0.105
   36    H    GLY   4           HN       GLY   4  -4.452 -14.645  -0.767
   37    HA2  GLY   4           HA2      GLY   4  -5.308 -13.081   0.893
   38    HA3  GLY   4           HA1      GLY   4  -3.635 -12.669   1.277
   39    H    LYS   5           HN       LYS   5  -5.908 -10.869   0.087
   40    HA   LYS   5           HA       LYS   5  -4.840  -9.663  -1.842
   41    HB2  LYS   5           HB2      LYS   5  -4.697 -11.718  -3.249
   42    HB3  LYS   5           HB1      LYS   5  -6.446 -11.854  -3.210
   43    HG2  LYS   5           HG2      LYS   5  -6.711  -9.897  -4.533
   44    HG3  LYS   5           HG1      LYS   5  -5.001  -9.489  -4.380
   45    HD2  LYS   5           HD2      LYS   5  -5.491 -10.454  -6.569
   46    HD3  LYS   5           HD1      LYS   5  -4.399 -11.487  -5.646
   47    HE2  LYS   5           HE2      LYS   5  -6.022 -12.887  -6.711
   48    HE3  LYS   5           HE1      LYS   5  -6.373 -12.865  -4.984
   49    HZ1  LYS   5           HZ1      LYS   5  -7.764 -11.175  -6.993
   50    HZ2  LYS   5           HZ2      LYS   5  -8.167 -11.347  -5.352
   51    HZ3  LYS   5           HZ3      LYS   5  -8.356 -12.655  -6.411
   52    H    ARG   6           HN       ARG   6  -6.268  -9.261   0.079
   53    HA   ARG   6           HA       ARG   6  -7.445  -7.156  -0.705
   54    HB2  ARG   6           HB2      ARG   6  -9.748  -7.124  -0.281
   55    HB3  ARG   6           HB1      ARG   6  -9.466  -8.394  -1.461
   56    HG2  ARG   6           HG2      ARG   6 -10.964  -9.417  -0.028
   57    HG3  ARG   6           HG1      ARG   6  -9.417  -9.971   0.599
   58    HD2  ARG   6           HD2      ARG   6  -9.724  -7.704   2.027
   59    HD3  ARG   6           HD1      ARG   6 -11.416  -8.158   1.794
   60    HE   ARG   6           HE       ARG   6  -9.926 -10.398   2.675
   61   HH11  ARG   6          HH11      ARG   6 -11.200  -7.346   3.831
   62   HH12  ARG   6          HH12      ARG   6 -11.329  -7.885   5.475
   63   HH21  ARG   6          HH21      ARG   6 -10.058 -11.107   4.826
   64   HH22  ARG   6          HH22      ARG   6 -10.656 -10.030   6.055
   65    H    LEU   7           HN       LEU   7  -7.928  -5.995   1.616
   66    HA   LEU   7           HA       LEU   7  -6.897  -7.506   3.583
   67    HB2  LEU   7           HB2      LEU   7  -4.589  -7.462   3.397
   68    HB3  LEU   7           HB1      LEU   7  -5.187  -7.875   1.804
   69    HG   LEU   7           HG       LEU   7  -4.003  -5.457   2.732
   70   HD11  LEU   7          HD11      LEU   7  -3.284  -7.185   0.513
   71   HD12  LEU   7          HD12      LEU   7  -2.403  -6.942   2.022
   72   HD13  LEU   7          HD13      LEU   7  -2.500  -5.639   0.837
   73   HD21  LEU   7          HD21      LEU   7  -5.771  -4.404   1.688
   74   HD22  LEU   7          HD22      LEU   7  -5.613  -5.485   0.302
   75   HD23  LEU   7          HD23      LEU   7  -4.375  -4.275   0.607
   76    H    PHE   8           HN       PHE   8  -5.623  -6.288   5.253
   77    HA   PHE   8           HA       PHE   8  -6.592  -3.521   5.398
   78    HB2  PHE   8           HB2      PHE   8  -5.559  -5.329   7.604
   79    HB3  PHE   8           HB1      PHE   8  -6.166  -3.686   7.818
   80    HD1  PHE   8           HD2      PHE   8  -8.599  -3.253   7.082
   81    HD2  PHE   8           HD1      PHE   8  -6.998  -7.132   7.793
   82    HE1  PHE   8           HE2      PHE   8 -10.878  -4.134   7.383
   83    HE2  PHE   8           HE1      PHE   8  -9.270  -8.020   8.092
   84    HZ   PHE   8           HZ       PHE   8 -11.213  -6.521   7.889
   85    H    ALA   9           HN       ALA   9  -4.986  -2.350   4.318
   86    HA   ALA   9           HA       ALA   9  -2.206  -3.211   4.793
   87    HB1  ALA   9           HB1      ALA   9  -3.289  -1.600   2.486
   88    HB2  ALA   9           HB2      ALA   9  -2.878  -3.315   2.437
   89    HB3  ALA   9           HB3      ALA   9  -1.615  -2.112   2.710
   90    H    ILE  10           HN       ILE  10  -1.337  -1.999   6.361
   91    HA   ILE  10           HA       ILE  10  -2.165   0.817   6.621
   92    HB   ILE  10           HB       ILE  10  -0.462  -0.823   8.507
   93   HG12  ILE  10          HG12      ILE  10  -3.345   0.069   8.750
   94   HG13  ILE  10          HG11      ILE  10  -2.796  -1.585   8.495
   95   HG21  ILE  10          HG21      ILE  10   0.099   1.538   8.566
   96   HG22  ILE  10          HG22      ILE  10  -0.748   1.077  10.042
   97   HG23  ILE  10          HG23      ILE  10  -1.601   1.957   8.774
   98   HD11  ILE  10          HD11      ILE  10  -1.705  -1.564  10.669
   99   HD12  ILE  10          HD12      ILE  10  -3.423  -1.188  10.808
  100   HD13  ILE  10          HD13      ILE  10  -2.227   0.102  10.920
  101    H    LEU  11           HN       LEU  11  -0.827   2.198   5.480
  102    HA   LEU  11           HA       LEU  11   1.789   1.157   4.871
  103    HB2  LEU  11           HB2      LEU  11   1.776   2.249   2.656
  104    HB3  LEU  11           HB1      LEU  11   0.698   0.888   2.788
  105    HG   LEU  11           HG       LEU  11  -0.401   2.445   1.433
  106   HD11  LEU  11          HD11      LEU  11  -1.571   2.804   4.170
  107   HD12  LEU  11          HD12      LEU  11  -1.910   1.496   3.036
  108   HD13  LEU  11          HD13      LEU  11  -2.384   3.149   2.643
  109   HD21  LEU  11          HD21      LEU  11  -0.752   4.788   1.973
  110   HD22  LEU  11          HD22      LEU  11   0.959   4.383   1.853
  111   HD23  LEU  11          HD23      LEU  11   0.212   4.595   3.437
  112    H    ARG  12           HN       ARG  12   3.329   2.360   5.378
  113    HA   ARG  12           HA       ARG  12   2.902   5.228   6.053
  114    HB2  ARG  12           HB2      ARG  12   3.064   3.511   8.013
  115    HB3  ARG  12           HB1      ARG  12   4.785   3.529   7.625
  116    HG2  ARG  12           HG2      ARG  12   5.008   5.769   8.112
  117    HG3  ARG  12           HG1      ARG  12   3.277   6.074   7.959
  118    HD2  ARG  12           HD2      ARG  12   3.642   6.139  10.200
  119    HD3  ARG  12           HD1      ARG  12   3.034   4.513   9.957
  120    HE   ARG  12           HE       ARG  12   5.931   4.925  10.033
  121   HH11  ARG  12          HH11      ARG  12   3.035   3.652  11.546
  122   HH12  ARG  12          HH12      ARG  12   3.915   2.653  12.670
  123   HH21  ARG  12          HH21      ARG  12   7.081   3.631  11.505
  124   HH22  ARG  12          HH22      ARG  12   6.213   2.640  12.642
  125    H    LEU  13           HN       LEU  13   5.245   6.310   6.100
  126    HA   LEU  13           HA       LEU  13   6.671   5.075   3.921
  127    HB2  LEU  13           HB2      LEU  13   7.267   7.190   2.935
  128    HB3  LEU  13           HB1      LEU  13   5.526   6.978   2.930
  129    HG   LEU  13           HG       LEU  13   6.146   8.458   5.254
  130   HD11  LEU  13          HD11      LEU  13   7.328  10.375   4.213
  131   HD12  LEU  13          HD12      LEU  13   7.616   9.368   2.791
  132   HD13  LEU  13          HD13      LEU  13   8.315   8.919   4.345
  133   HD21  LEU  13          HD21      LEU  13   4.993   9.293   2.577
  134   HD22  LEU  13          HD22      LEU  13   4.924  10.264   4.046
  135   HD23  LEU  13          HD23      LEU  13   4.078   8.721   3.976
  136    H    ALA  14           HN       ALA  14   8.726   4.919   4.210
  137    HA   ALA  14           HA       ALA  14   9.668   4.525   6.688
  138    HB1  ALA  14           HB1      ALA  14  11.405   5.015   4.281
  139    HB2  ALA  14           HB2      ALA  14  10.595   3.501   4.683
  140    HB3  ALA  14           HB3      ALA  14  11.860   4.131   5.737
  141    H    ASP  15           HN       ASP  15   9.417   7.620   5.495
  142    HA   ASP  15           HA       ASP  15  11.763   8.808   6.698
  143    HB2  ASP  15           HB2      ASP  15  10.783  10.069   4.927
  144    HB3  ASP  15           HB1      ASP  15   9.168   9.918   5.619
  145    H    GLY  16           HN       GLY  16   8.750   7.578   7.708
  146    HA2  GLY  16           HA2      GLY  16   8.244   7.337  10.061
  147    HA3  GLY  16           HA1      GLY  16   9.023   8.901  10.334
  148    H    SER  17           HN       SER  17   7.468   9.223   7.541
  149    HA   SER  17           HA       SER  17   5.194  10.547   8.831
  150    HB2  SER  17           HB2      SER  17   6.721  12.006   7.484
  151    HB3  SER  17           HB1      SER  17   6.351  11.020   6.065
  152    HG   SER  17           HG       SER  17   4.643  12.729   7.544
  153    H    GLN  18           HN       GLN  18   3.551  10.717   6.631
  154    HA   GLN  18           HA       GLN  18   2.764   7.886   6.397
  155    HB2  GLN  18           HB2      GLN  18   1.512   9.870   7.871
  156    HB3  GLN  18           HB1      GLN  18   0.598   9.767   6.359
  157    HG2  GLN  18           HG2      GLN  18   0.096   7.484   6.773
  158    HG3  GLN  18           HG1      GLN  18   1.229   7.428   8.135
  159   HE21  GLN  18          HE21      GLN  18   0.646   8.273  10.087
  160   HE22  GLN  18          HE22      GLN  18  -0.966   8.809  10.456
  161    HA   PRO  19           HA       PRO  19   1.419   9.335   2.359
  162    HB2  PRO  19           HB2      PRO  19   0.678   6.625   1.767
  163    HB3  PRO  19           HB1      PRO  19   2.001   7.550   1.055
  164    HG2  PRO  19           HG2      PRO  19   2.329   5.356   2.698
  165    HG3  PRO  19           HG1      PRO  19   3.557   6.603   2.423
  166    HD2  PRO  19           HD2      PRO  19   1.677   6.261   4.719
  167    HD3  PRO  19           HD1      PRO  19   3.367   6.815   4.712
  168    HA   PRO  20           HA       PRO  20  -2.214   9.002   4.857
  169    HB2  PRO  20           HB2      PRO  20  -2.567  11.574   5.092
  170    HB3  PRO  20           HB1      PRO  20  -1.001  10.911   5.536
  171    HG2  PRO  20           HG2      PRO  20  -1.798  12.405   3.081
  172    HG3  PRO  20           HG1      PRO  20  -0.296  12.491   4.019
  173    HD2  PRO  20           HD2      PRO  20  -0.829  10.880   1.726
  174    HD3  PRO  20           HD1      PRO  20   0.640  10.884   2.736
  175    H    PHE  21           HN       PHE  21  -4.472  10.136   4.781
  176    HA   PHE  21           HA       PHE  21  -6.093   8.730   3.338
  177    HB2  PHE  21           HB2      PHE  21  -6.980  10.245   4.880
  178    HB3  PHE  21           HB1      PHE  21  -6.419  11.609   3.951
  179    HD1  PHE  21           HD2      PHE  21  -8.451   8.607   3.144
  180    HD2  PHE  21           HD1      PHE  21  -8.172  12.845   3.130
  181    HE1  PHE  21           HE2      PHE  21 -10.653   8.735   2.066
  182    HE2  PHE  21           HE1      PHE  21 -10.378  12.990   2.048
  183    HZ   PHE  21           HZ       PHE  21 -11.623  10.934   1.512
  184    H    GLY  22           HN       GLY  22  -5.593   8.041   1.314
  185    HA2  GLY  22           HA2      GLY  22  -6.789   8.375  -0.853
  186    HA3  GLY  22           HA1      GLY  22  -6.062   9.964  -0.834
  187    H    ALA  23           HN       ALA  23  -3.712   8.379   0.574
  188    HA   ALA  23           HA       ALA  23  -2.097   7.940  -1.491
  189    HB1  ALA  23           HB1      ALA  23  -0.703   6.544  -0.130
  190    HB2  ALA  23           HB2      ALA  23  -2.055   6.199   0.947
  191    HB3  ALA  23           HB3      ALA  23  -1.389   7.830   0.862
  192    H    SER  24           HN       SER  24  -3.072   7.119  -3.182
  193    HA   SER  24           HA       SER  24  -4.092   4.602  -3.597
  194    HB2  SER  24           HB2      SER  24  -3.551   4.973  -5.955
  195    HB3  SER  24           HB1      SER  24  -3.931   6.545  -5.272
  196    HG   SER  24           HG       SER  24  -1.388   5.437  -5.701
  197    H    VAL  25           HN       VAL  25  -3.019   2.729  -2.844
  198    HA   VAL  25           HA       VAL  25  -0.214   2.593  -3.581
  199    HB   VAL  25           HB       VAL  25   0.123   0.603  -2.390
  200   HG11  VAL  25          HG11      VAL  25  -0.343   1.251  -0.076
  201   HG12  VAL  25          HG12      VAL  25  -1.469   2.475  -0.663
  202   HG13  VAL  25          HG13      VAL  25   0.249   2.603  -1.041
  203   HG21  VAL  25          HG21      VAL  25  -2.821   0.472  -2.114
  204   HG22  VAL  25          HG22      VAL  25  -1.803  -0.253  -0.870
  205   HG23  VAL  25          HG23      VAL  25  -1.669  -0.792  -2.545
  206    H    THR  26           HN       THR  26   0.043   2.172  -5.622
  207    HA   THR  26           HA       THR  26  -1.764   0.266  -6.887
  208    HB   THR  26           HB       THR  26  -3.069   2.132  -7.377
  209    HG1  THR  26           HG1      THR  26  -2.534   2.597  -9.657
  210   HG21  THR  26          HG21      THR  26  -0.567   3.680  -8.029
  211   HG22  THR  26          HG22      THR  26  -1.584   3.894  -6.603
  212   HG23  THR  26          HG23      THR  26  -2.217   4.278  -8.204
  213    H    SER  27           HN       SER  27  -0.702  -0.849  -8.541
  214    HA   SER  27           HA       SER  27   2.195  -0.356  -8.389
  215    HB2  SER  27           HB2      SER  27   1.736  -2.564  -7.600
  216    HB3  SER  27           HB1      SER  27   0.624  -2.880  -8.929
  217    HG   SER  27           HG       SER  27   2.505  -3.873  -9.459
  218    H    GLU  28           HN       GLU  28   3.295  -0.904 -10.512
  219    HA   GLU  28           HA       GLU  28   3.306   1.072 -12.086
  220    HB2  GLU  28           HB2      GLU  28   3.272  -1.729 -13.168
  221    HB3  GLU  28           HB1      GLU  28   3.811  -0.332 -14.091
  222    HG2  GLU  28           HG2      GLU  28   5.010  -1.358 -11.531
  223    HG3  GLU  28           HG1      GLU  28   5.701  -1.489 -13.150
  224    H    LYS  29           HN       LYS  29   1.195  -1.432 -13.531
  225    HA   LYS  29           HA       LYS  29   0.118   0.316 -15.407
  226    HB2  LYS  29           HB2      LYS  29   0.167  -2.180 -15.537
  227    HB3  LYS  29           HB1      LYS  29  -1.176  -2.222 -14.402
  228    HG2  LYS  29           HG2      LYS  29  -2.480  -0.848 -16.047
  229    HG3  LYS  29           HG1      LYS  29  -1.160  -1.102 -17.191
  230    HD2  LYS  29           HD2      LYS  29  -1.477  -3.508 -17.055
  231    HD3  LYS  29           HD1      LYS  29  -2.752  -3.288 -15.855
  232    HE2  LYS  29           HE2      LYS  29  -2.787  -2.420 -18.742
  233    HE3  LYS  29           HE1      LYS  29  -3.768  -3.679 -17.994
  234    HZ1  LYS  29           HZ1      LYS  29  -4.609  -1.788 -16.507
  235    HZ2  LYS  29           HZ2      LYS  29  -5.191  -1.876 -18.095
  236    HZ3  LYS  29           HZ3      LYS  29  -3.984  -0.751 -17.698
  237    H    GLY  30           HN       GLY  30  -0.966  -0.354 -12.182
  238    HA2  GLY  30           HA2      GLY  30  -2.111   1.644 -11.168
  239    HA3  GLY  30           HA1      GLY  30  -3.227   1.451 -12.500
  240    H    ARG  31           HN       ARG  31  -1.539  -0.873 -10.514
  241    HA   ARG  31           HA       ARG  31  -4.019  -2.335 -10.160
  242    HB2  ARG  31           HB2      ARG  31  -1.319  -3.161 -10.237
  243    HB3  ARG  31           HB1      ARG  31  -1.840  -3.338  -8.561
  244    HG2  ARG  31           HG2      ARG  31  -3.040  -4.620 -11.002
  245    HG3  ARG  31           HG1      ARG  31  -2.292  -5.404  -9.604
  246    HD2  ARG  31           HD2      ARG  31  -4.103  -4.470  -8.183
  247    HD3  ARG  31           HD1      ARG  31  -4.874  -3.841  -9.635
  248    HE   ARG  31           HE       ARG  31  -4.375  -6.691  -9.631
  249   HH11  ARG  31          HH11      ARG  31  -6.651  -4.093  -9.017
  250   HH12  ARG  31          HH12      ARG  31  -8.033  -5.149  -8.986
  251   HH21  ARG  31          HH21      ARG  31  -6.198  -8.072  -9.580
  252   HH22  ARG  31          HH22      ARG  31  -7.780  -7.395  -9.306
  253    H    GLU  32           HN       GLU  32  -5.145  -0.863  -8.912
  254    HA   GLU  32           HA       GLU  32  -3.863   0.306  -6.649
  255    HB2  GLU  32           HB2      GLU  32  -6.786   0.560  -7.277
  256    HB3  GLU  32           HB1      GLU  32  -5.717   1.730  -6.513
  257    HG2  GLU  32           HG2      GLU  32  -4.477   1.776  -8.771
  258    HG3  GLU  32           HG1      GLU  32  -5.918   0.981  -9.404
  259    H    LEU  33           HN       LEU  33  -3.489  -1.080  -5.041
  260    HA   LEU  33           HA       LEU  33  -5.693  -2.835  -4.103
  261    HB2  LEU  33           HB2      LEU  33  -2.745  -3.068  -3.539
  262    HB3  LEU  33           HB1      LEU  33  -4.020  -4.145  -3.013
  263    HG   LEU  33           HG       LEU  33  -3.152  -5.361  -4.755
  264   HD11  LEU  33          HD11      LEU  33  -5.502  -4.988  -5.261
  265   HD12  LEU  33          HD12      LEU  33  -4.548  -5.161  -6.734
  266   HD13  LEU  33          HD13      LEU  33  -5.076  -3.563  -6.208
  267   HD21  LEU  33          HD21      LEU  33  -1.441  -3.743  -5.343
  268   HD22  LEU  33          HD22      LEU  33  -2.627  -2.797  -6.242
  269   HD23  LEU  33          HD23      LEU  33  -2.197  -4.418  -6.788
  270    H    GLY  34           HN       GLY  34  -4.031  -0.020  -3.366
  271    HA2  GLY  34           HA2      GLY  34  -5.599  -0.013  -0.869
  272    HA3  GLY  34           HA1      GLY  34  -3.881   0.336  -0.795
  273    H    MET  35           HN       MET  35  -6.306   1.931  -0.155
  274    HA   MET  35           HA       MET  35  -5.032   4.378  -1.032
  275    HB2  MET  35           HB2      MET  35  -8.048   4.211  -1.171
  276    HB3  MET  35           HB1      MET  35  -7.010   5.561  -1.621
  277    HG2  MET  35           HG2      MET  35  -6.265   4.522  -3.540
  278    HG3  MET  35           HG1      MET  35  -6.803   2.924  -2.979
  279    HE1  MET  35           HE1      MET  35  -7.942   6.471  -4.276
  280    HE2  MET  35           HE2      MET  35  -8.837   6.284  -2.770
  281    HE3  MET  35           HE3      MET  35  -9.696   6.288  -4.311
  282    H    VAL  36           HN       VAL  36  -4.591   5.346   0.835
  283    HA   VAL  36           HA       VAL  36  -5.543   4.037   3.212
  284    HB   VAL  36           HB       VAL  36  -3.367   4.864   3.428
  285   HG11  VAL  36          HG11      VAL  36  -3.452   6.409   1.561
  286   HG12  VAL  36          HG12      VAL  36  -2.755   7.169   2.991
  287   HG13  VAL  36          HG13      VAL  36  -4.418   7.524   2.526
  288   HG21  VAL  36          HG21      VAL  36  -5.186   6.840   4.790
  289   HG22  VAL  36          HG22      VAL  36  -3.491   6.561   5.198
  290   HG23  VAL  36          HG23      VAL  36  -4.679   5.275   5.428
  291    H    ALA  37           HN       ALA  37  -7.207   4.529   4.451
  292    HA   ALA  37           HA       ALA  37  -8.537   7.098   4.001
  293    HB1  ALA  37           HB1      ALA  37 -10.645   6.127   4.769
  294    HB2  ALA  37           HB2      ALA  37  -9.883   4.539   4.872
  295    HB3  ALA  37           HB3      ALA  37 -10.072   5.330   3.306
  296    H    ASP  38           HN       ASP  38  -8.341   8.367   5.735
  297    HA   ASP  38           HA       ASP  38  -8.177   9.056   7.927
  298    HB2  ASP  38           HB2      ASP  38  -9.514   6.807   8.412
  299    HB3  ASP  38           HB1      ASP  38  -7.944   6.264   8.985
  300    H    GLU  39           HN       GLU  39  -6.475   7.751   9.857
  301    HA   GLU  39           HA       GLU  39  -4.052   8.615   8.775
  302    HB2  GLU  39           HB2      GLU  39  -4.464   7.203  11.403
  303    HB3  GLU  39           HB1      GLU  39  -3.119   8.254  10.971
  304    HG2  GLU  39           HG2      GLU  39  -4.739  10.117  10.720
  305    HG3  GLU  39           HG1      GLU  39  -6.000   9.044  11.321
  306    H    GLY  40           HN       GLY  40  -3.842   6.928   6.996
  307    HA2  GLY  40           HA2      GLY  40  -1.856   5.863   6.308
  308    HA3  GLY  40           HA1      GLY  40  -1.564   5.366   7.965
  309    H    LEU  41           HN       LEU  41  -4.309   4.067   8.223
  310    HA   LEU  41           HA       LEU  41  -3.880   1.793   6.830
  311    HB2  LEU  41           HB2      LEU  41  -6.595   1.793   7.591
  312    HB3  LEU  41           HB1      LEU  41  -5.237   1.040   8.353
  313    HG   LEU  41           HG       LEU  41  -6.559   2.244   9.948
  314   HD11  LEU  41          HD11      LEU  41  -3.856   3.485   9.531
  315   HD12  LEU  41          HD12      LEU  41  -4.213   2.005  10.420
  316   HD13  LEU  41          HD13      LEU  41  -4.802   3.557  11.017
  317   HD21  LEU  41          HD21      LEU  41  -5.953   4.676   8.293
  318   HD22  LEU  41          HD22      LEU  41  -6.576   4.725   9.938
  319   HD23  LEU  41          HD23      LEU  41  -7.529   3.978   8.658
  320    H    ALA  42           HN       ALA  42  -4.138   1.327   4.742
  321    HA   ALA  42           HA       ALA  42  -6.426   2.480   3.278
  322    HB1  ALA  42           HB1      ALA  42  -4.141   0.897   2.086
  323    HB2  ALA  42           HB2      ALA  42  -4.189   2.659   2.154
  324    HB3  ALA  42           HB3      ALA  42  -5.400   1.784   1.206
  325    H    TRP  43           HN       TRP  43  -8.105   1.234   3.980
  326    HA   TRP  43           HA       TRP  43  -7.916  -1.579   4.174
  327    HB2  TRP  43           HB2      TRP  43 -10.211   0.309   4.205
  328    HB3  TRP  43           HB1      TRP  43 -10.440  -1.426   4.316
  329    HD1  TRP  43           HD1      TRP  43 -11.386  -0.150   6.812
  330    HE1  TRP  43           HE1      TRP  43 -10.092  -0.352   9.032
  331    HE3  TRP  43           HE3      TRP  43  -6.718  -1.198   4.999
  332    HZ2  TRP  43           HZ2      TRP  43  -7.543  -0.911   9.783
  333    HZ3  TRP  43           HZ3      TRP  43  -4.892  -1.545   6.598
  334    HH2  TRP  43           HH2      TRP  43  -5.298  -1.391   8.992
  335    H    LEU  44           HN       LEU  44  -7.573  -2.658   2.174
  336    HA   LEU  44           HA       LEU  44  -9.058  -1.986  -0.183
  337    HB2  LEU  44           HB2      LEU  44  -6.427  -0.883   0.215
  338    HB3  LEU  44           HB1      LEU  44  -6.573  -1.835  -1.251
  339    HG   LEU  44           HG       LEU  44  -7.296   0.862  -0.867
  340   HD11  LEU  44          HD11      LEU  44  -6.417   0.071  -2.929
  341   HD12  LEU  44          HD12      LEU  44  -8.044   0.707  -3.239
  342   HD13  LEU  44          HD13      LEU  44  -7.783  -1.037  -3.150
  343   HD21  LEU  44          HD21      LEU  44  -9.430   0.062   0.037
  344   HD22  LEU  44          HD22      LEU  44  -9.728  -0.763  -1.494
  345   HD23  LEU  44          HD23      LEU  44  -9.583   0.993  -1.449
  346    H    SER  45           HN       SER  45  -6.700  -3.574  -1.619
  347    HA   SER  45           HA       SER  45  -7.763  -5.869  -0.703
  348    HB2  SER  45           HB2      SER  45  -8.440  -6.678  -3.076
  349    HB3  SER  45           HB1      SER  45  -9.589  -5.703  -2.159
  350    HG   SER  45           HG       SER  45  -7.746  -4.632  -4.042
  351    H    GLY  46           HN       GLY  46  -5.849  -6.961  -0.503
  352    HA2  GLY  46           HA2      GLY  46  -3.551  -5.900  -1.309
  353    HA3  GLY  46           HA1      GLY  46  -3.689  -7.557  -0.788
  354    H    VAL  47           HN       VAL  47  -1.651  -7.092  -2.128
  355    HA   VAL  47           HA       VAL  47  -2.093  -7.755  -4.955
  356    HB   VAL  47           HB       VAL  47  -1.265  -5.423  -4.470
  357   HG11  VAL  47          HG11      VAL  47   0.131  -5.872  -2.565
  358   HG12  VAL  47          HG12      VAL  47   1.095  -5.145  -3.851
  359   HG13  VAL  47          HG13      VAL  47   1.200  -6.878  -3.543
  360   HG21  VAL  47          HG21      VAL  47   0.688  -7.087  -6.041
  361   HG22  VAL  47          HG22      VAL  47   0.358  -5.365  -6.229
  362   HG23  VAL  47          HG23      VAL  47  -0.882  -6.552  -6.637
  363    H    THR  48           HN       THR  48  -0.013  -8.750  -5.905
  364    HA   THR  48           HA       THR  48   0.836 -11.048  -4.447
  365    HB   THR  48           HB       THR  48   2.099  -9.897  -6.946
  366    HG1  THR  48           HG1      THR  48  -0.245 -11.517  -6.719
  367   HG21  THR  48          HG21      THR  48   3.218 -11.861  -5.992
  368   HG22  THR  48          HG22      THR  48   2.459 -12.245  -7.537
  369   HG23  THR  48          HG23      THR  48   1.693 -12.745  -6.028
  370    HA   PRO  49           HA       PRO  49   4.372  -9.180  -2.451
  371    HB2  PRO  49           HB2      PRO  49   5.755 -11.688  -2.239
  372    HB3  PRO  49           HB1      PRO  49   4.847 -10.834  -0.992
  373    HG2  PRO  49           HG2      PRO  49   4.095 -13.232  -2.123
  374    HG3  PRO  49           HG1      PRO  49   2.992 -12.102  -1.311
  375    HD2  PRO  49           HD2      PRO  49   3.458 -12.537  -4.227
  376    HD3  PRO  49           HD1      PRO  49   1.956 -12.145  -3.366
  377    H    GLY  50           HN       GLY  50   6.553  -8.560  -2.865
  378    HA2  GLY  50           HA2      GLY  50   8.715  -8.859  -3.802
  379    HA3  GLY  50           HA1      GLY  50   8.059 -10.103  -4.865
  380    H    GLU  51           HN       GLU  51   6.945  -6.741  -4.247
  381    HA   GLU  51           HA       GLU  51   7.299  -6.266  -7.087
  382    HB2  GLU  51           HB2      GLU  51   4.609  -5.841  -5.792
  383    HB3  GLU  51           HB1      GLU  51   5.063  -5.352  -7.415
  384    HG2  GLU  51           HG2      GLU  51   5.602  -7.874  -7.727
  385    HG3  GLU  51           HG1      GLU  51   4.587  -8.051  -6.302
  386    H    THR  52           HN       THR  52   6.127  -3.912  -7.421
  387    HA   THR  52           HA       THR  52   6.722  -2.326  -5.082
  388    HB   THR  52           HB       THR  52   7.745  -1.604  -7.835
  389    HG1  THR  52           HG1      THR  52   8.793  -3.117  -5.846
  390   HG21  THR  52          HG21      THR  52   8.106  -0.221  -5.171
  391   HG22  THR  52          HG22      THR  52   7.145   0.372  -6.525
  392   HG23  THR  52          HG23      THR  52   8.896   0.236  -6.679
  393    H    LEU  53           HN       LEU  53   4.740  -1.754  -4.644
  394    HA   LEU  53           HA       LEU  53   2.689  -0.777  -6.330
  395    HB2  LEU  53           HB2      LEU  53   3.445  -0.422  -3.445
  396    HB3  LEU  53           HB1      LEU  53   2.108   0.485  -4.140
  397    HG   LEU  53           HG       LEU  53   2.245  -2.502  -4.213
  398   HD11  LEU  53          HD11      LEU  53   0.712  -2.506  -2.318
  399   HD12  LEU  53          HD12      LEU  53   0.885  -0.754  -2.178
  400   HD13  LEU  53          HD13      LEU  53   2.270  -1.805  -1.879
  401   HD21  LEU  53          HD21      LEU  53   0.119  -0.419  -4.617
  402   HD22  LEU  53          HD22      LEU  53  -0.218  -2.156  -4.511
  403   HD23  LEU  53          HD23      LEU  53   0.775  -1.527  -5.829
  404    H    SER  54           HN       SER  54   2.250   1.368  -6.958
  405    HA   SER  54           HA       SER  54   4.129   3.383  -6.047
  406    HB2  SER  54           HB2      SER  54   2.391   3.333  -8.516
  407    HB3  SER  54           HB1      SER  54   3.518   4.631  -8.094
  408    HG   SER  54           HG       SER  54   4.011   2.295  -9.334
  409    H    VAL  55           HN       VAL  55   3.413   5.139  -4.866
  410    HA   VAL  55           HA       VAL  55   0.600   4.802  -4.126
  411    HB   VAL  55           HB       VAL  55   2.877   5.412  -2.279
  412   HG11  VAL  55          HG11      VAL  55   1.249   5.195  -0.478
  413   HG12  VAL  55          HG12      VAL  55  -0.033   4.965  -1.670
  414   HG13  VAL  55          HG13      VAL  55   0.816   6.508  -1.572
  415   HG21  VAL  55          HG21      VAL  55   1.257   2.919  -2.620
  416   HG22  VAL  55          HG22      VAL  55   2.427   3.201  -1.334
  417   HG23  VAL  55          HG23      VAL  55   2.961   3.135  -3.016
  418    H    ASN  56           HN       ASN  56  -0.589   6.486  -4.588
  419    HA   ASN  56           HA       ASN  56   0.732   9.035  -5.071
  420    HB2  ASN  56           HB2      ASN  56  -0.274   8.713  -7.085
  421    HB3  ASN  56           HB1      ASN  56  -1.493   7.647  -6.410
  422   HD21  ASN  56          HD21      ASN  56  -3.386   8.454  -5.683
  423   HD22  ASN  56          HD22      ASN  56  -3.884  10.100  -5.958
  424    H    TRP  57           HN       TRP  57  -0.106  10.919  -4.337
  425    HA   TRP  57           HA       TRP  57  -2.158  10.832  -2.341
  426    HB2  TRP  57           HB2      TRP  57  -0.619  10.026  -0.910
  427    HB3  TRP  57           HB1      TRP  57   0.708  10.525  -1.925
  428    HD1  TRP  57           HD1      TRP  57  -1.517  13.272  -0.523
  429    HE1  TRP  57           HE1      TRP  57  -0.135  14.601   1.174
  430    HE3  TRP  57           HE3      TRP  57   2.442  10.101  -0.089
  431    HZ2  TRP  57           HZ2      TRP  57   2.252  14.296   2.467
  432    HZ3  TRP  57           HZ3      TRP  57   4.229  10.719   1.478
  433    HH2  TRP  57           HH2      TRP  57   4.143  12.780   2.753
  434    H    ASP  58           HN       ASP  58  -2.853  12.848  -1.639
  435    HA   ASP  58           HA       ASP  58  -3.327  14.994  -2.824
  436    HB2  ASP  58           HB2      ASP  58  -2.624  14.577  -0.132
  437    HB3  ASP  58           HB1      ASP  58  -1.859  16.089  -0.619
  438    H    GLY  59           HN       GLY  59   0.067  15.216  -1.403
  439    HA2  GLY  59           HA2      GLY  59   0.770  17.241  -3.102
  440    HA3  GLY  59           HA1      GLY  59   1.929  16.078  -2.470
  441    H    LYS  60           HN       LYS  60   0.882  13.810  -3.971
  442    HA   LYS  60           HA       LYS  60   1.216  13.974  -6.690
  443    HB2  LYS  60           HB2      LYS  60   3.696  13.574  -6.849
  444    HB3  LYS  60           HB1      LYS  60   3.275  15.204  -6.310
  445    HG2  LYS  60           HG2      LYS  60   3.344  13.597  -3.994
  446    HG3  LYS  60           HG1      LYS  60   4.798  13.196  -4.958
  447    HD2  LYS  60           HD2      LYS  60   5.331  15.616  -5.156
  448    HD3  LYS  60           HD1      LYS  60   3.952  15.973  -4.117
  449    HE2  LYS  60           HE2      LYS  60   5.009  14.580  -2.348
  450    HE3  LYS  60           HE1      LYS  60   6.425  14.415  -3.387
  451    HZ1  LYS  60           HZ1      LYS  60   6.598  16.198  -1.690
  452    HZ2  LYS  60           HZ2      LYS  60   5.341  17.026  -2.476
  453    HZ3  LYS  60           HZ3      LYS  60   6.807  16.747  -3.282
  454    H    ILE  61           HN       ILE  61   2.915  11.847  -7.237
  455    HA   ILE  61           HA       ILE  61   1.918   9.770  -5.499
  456    HB   ILE  61           HB       ILE  61   1.456   9.509  -8.019
  457   HG12  ILE  61          HG12      ILE  61   2.856   7.315  -6.476
  458   HG13  ILE  61          HG11      ILE  61   1.090   7.558  -6.593
  459   HG21  ILE  61          HG21      ILE  61   3.249   8.566  -9.372
  460   HG22  ILE  61          HG22      ILE  61   4.383   8.840  -8.047
  461   HG23  ILE  61          HG23      ILE  61   3.611  10.212  -8.848
  462   HD11  ILE  61          HD11      ILE  61   1.214   7.019  -8.977
  463   HD12  ILE  61          HD12      ILE  61   1.819   5.704  -7.969
  464   HD13  ILE  61          HD13      ILE  61   2.950   6.740  -8.840
  465    H    GLN  62           HN       GLN  62   3.454   9.328  -3.896
  466    HA   GLN  62           HA       GLN  62   5.904  10.833  -4.458
  467    HB2  GLN  62           HB2      GLN  62   5.368  10.948  -1.663
  468    HB3  GLN  62           HB1      GLN  62   5.576  12.237  -2.841
  469    HG2  GLN  62           HG2      GLN  62   3.126  11.861  -3.414
  470    HG3  GLN  62           HG1      GLN  62   3.064  10.952  -1.892
  471   HE21  GLN  62          HE21      GLN  62   1.685  13.407  -2.498
  472   HE22  GLN  62          HE22      GLN  62   2.255  14.593  -1.351
  473    H    CYS  63           HN       CYS  63   4.461   8.285  -2.598
  474    HA   CYS  63           HA       CYS  63   7.159   7.248  -2.147
  475    HB2  CYS  63           HB2      CYS  63   6.404   6.079  -0.166
  476    HB3  CYS  63           HB1      CYS  63   6.061   7.800   0.024
  477    H    GLN  64           HN       GLN  64   7.136   4.835  -2.229
  478    HA   GLN  64           HA       GLN  64   4.926   3.806  -3.794
  479    HB2  GLN  64           HB2      GLN  64   7.801   3.580  -4.692
  480    HB3  GLN  64           HB1      GLN  64   6.447   2.669  -5.369
  481    HG2  GLN  64           HG2      GLN  64   5.362   4.679  -6.051
  482    HG3  GLN  64           HG1      GLN  64   6.620   5.635  -5.261
  483   HE21  GLN  64          HE21      GLN  64   5.927   3.516  -7.964
  484   HE22  GLN  64          HE22      GLN  64   7.309   3.951  -8.912
  485    H    VAL  65           HN       VAL  65   4.900   1.363  -3.573
  486    HA   VAL  65           HA       VAL  65   6.019   1.123  -0.967
  487    HB   VAL  65           HB       VAL  65   3.348   0.195  -1.838
  488   HG11  VAL  65          HG11      VAL  65   3.257  -1.552  -0.147
  489   HG12  VAL  65          HG12      VAL  65   4.952  -1.282   0.253
  490   HG13  VAL  65          HG13      VAL  65   4.511  -1.929  -1.329
  491   HG21  VAL  65          HG21      VAL  65   4.540   1.110   0.745
  492   HG22  VAL  65          HG22      VAL  65   2.830   0.767   0.470
  493   HG23  VAL  65          HG23      VAL  65   3.616   2.094  -0.389
  494    H    ASN  66           HN       ASN  66   7.245  -0.661  -0.484
  495    HA   ASN  66           HA       ASN  66   7.876  -2.214  -2.893
  496    HB2  ASN  66           HB2      ASN  66   9.569  -1.610  -0.456
  497    HB3  ASN  66           HB1      ASN  66   9.959  -2.933  -1.556
  498   HD21  ASN  66          HD21      ASN  66   8.571   0.076  -2.684
  499   HD22  ASN  66          HD22      ASN  66   9.992   0.634  -3.501
  500    H    VAL  67           HN       VAL  67   7.192  -4.231  -2.943
  501    HA   VAL  67           HA       VAL  67   5.907  -5.272  -0.524
  502    HB   VAL  67           HB       VAL  67   5.469  -6.277  -3.319
  503   HG11  VAL  67          HG11      VAL  67   3.890  -6.608  -0.772
  504   HG12  VAL  67          HG12      VAL  67   4.908  -7.833  -1.528
  505   HG13  VAL  67          HG13      VAL  67   3.453  -7.269  -2.349
  506   HG21  VAL  67          HG21      VAL  67   3.366  -5.001  -3.324
  507   HG22  VAL  67          HG22      VAL  67   4.776  -3.943  -3.247
  508   HG23  VAL  67          HG23      VAL  67   3.828  -4.255  -1.793
  509    HA   PRO  68           HA       PRO  68   9.189  -8.332  -0.768
  510    HB2  PRO  68           HB2      PRO  68   9.274  -8.914   1.834
  511    HB3  PRO  68           HB1      PRO  68   9.920  -7.385   1.226
  512    HG2  PRO  68           HG2      PRO  68   7.393  -7.919   2.696
  513    HG3  PRO  68           HG1      PRO  68   8.428  -6.482   2.722
  514    HD2  PRO  68           HD2      PRO  68   6.043  -6.844   1.232
  515    HD3  PRO  68           HD1      PRO  68   7.192  -5.499   1.101
  516    H    GLU  69           HN       GLU  69   9.263 -10.667  -0.250
  517    HA   GLU  69           HA       GLU  69   6.652 -11.876  -0.436
  518    HB2  GLU  69           HB2      GLU  69   9.423 -13.096  -0.431
  519    HB3  GLU  69           HB1      GLU  69   7.937 -13.988  -0.736
  520    HG2  GLU  69           HG2      GLU  69   7.508 -12.621  -2.705
  521    HG3  GLU  69           HG1      GLU  69   8.982 -11.705  -2.394
  522    H    THR  70           HN       THR  70   8.121 -10.762   2.146
  523    HA   THR  70           HA       THR  70   7.468 -12.998   3.878
  524    HB   THR  70           HB       THR  70   8.558 -10.334   4.777
  525    HG1  THR  70           HG1      THR  70  10.283 -12.434   3.999
  526   HG21  THR  70          HG21      THR  70   9.029 -13.164   5.736
  527   HG22  THR  70          HG22      THR  70   7.950 -11.993   6.496
  528   HG23  THR  70          HG23      THR  70   9.688 -11.697   6.463
  529    H    ALA  71           HN       ALA  71   5.559 -10.900   2.505
  530    HA   ALA  71           HA       ALA  71   4.367  -9.663   4.884
  531    HB1  ALA  71           HB1      ALA  71   4.907  -8.115   3.056
  532    HB2  ALA  71           HB2      ALA  71   3.171  -8.198   3.356
  533    HB3  ALA  71           HB3      ALA  71   3.868  -9.043   1.975
  534    H    ILE  72           HN       ILE  72   1.829  -9.391   4.306
  535    HA   ILE  72           HA       ILE  72   0.764 -11.977   3.669
  536    HB   ILE  72           HB       ILE  72   1.328 -12.037   6.139
  537   HG12  ILE  72          HG12      ILE  72  -0.881 -12.965   6.832
  538   HG13  ILE  72          HG11      ILE  72  -1.591 -12.302   5.363
  539   HG21  ILE  72          HG21      ILE  72   0.816  -9.728   6.678
  540   HG22  ILE  72          HG22      ILE  72  -0.137 -10.826   7.677
  541   HG23  ILE  72          HG23      ILE  72  -0.886 -10.002   6.309
  542   HD11  ILE  72          HD11      ILE  72   0.551 -14.412   5.517
  543   HD12  ILE  72          HD12      ILE  72  -0.101 -13.723   4.030
  544   HD13  ILE  72          HD13      ILE  72  -1.146 -14.656   5.101
  545    H    SER  73           HN       SER  73  -1.805 -11.733   3.997
  546    HA   SER  73           HA       SER  73  -2.705  -9.060   3.571
  547    HB2  SER  73           HB2      SER  73  -3.160 -11.039   1.327
  548    HB3  SER  73           HB1      SER  73  -3.690  -9.358   1.383
  549    HG   SER  73           HG       SER  73  -1.135  -9.230   1.782
  550    H    ASP  74           HN       ASP  74  -5.298  -9.436   2.809
  551    HA   ASP  74           HA       ASP  74  -7.313  -9.992   3.622
  552    HB2  ASP  74           HB2      ASP  74  -6.629 -12.328   3.044
  553    HB3  ASP  74           HB1      ASP  74  -6.063 -12.524   4.700
  554    H    GLN  75           HN       GLN  75  -4.762 -10.782   5.956
  555    HA   GLN  75           HA       GLN  75  -6.265  -9.649   8.134
  556    HB2  GLN  75           HB2      GLN  75  -3.330 -10.352   8.073
  557    HB3  GLN  75           HB1      GLN  75  -4.355 -10.192   9.488
  558    HG2  GLN  75           HG2      GLN  75  -5.595 -12.187   8.806
  559    HG3  GLN  75           HG1      GLN  75  -4.542 -12.348   7.398
  560   HE21  GLN  75          HE21      GLN  75  -4.935 -14.221   9.573
  561   HE22  GLN  75          HE22      GLN  75  -3.377 -14.435  10.329
  562    H    GLN  76           HN       GLN  76  -4.175  -8.376   9.498
  563    HA   GLN  76           HA       GLN  76  -4.042  -5.813   8.099
  564    HB2  GLN  76           HB2      GLN  76  -4.775  -5.652  10.384
  565    HB3  GLN  76           HB1      GLN  76  -3.444  -6.656  10.937
  566    HG2  GLN  76           HG2      GLN  76  -1.867  -4.890  10.308
  567    HG3  GLN  76           HG1      GLN  76  -3.219  -3.874   9.808
  568   HE21  GLN  76          HE21      GLN  76  -1.553  -5.338  12.493
  569   HE22  GLN  76          HE22      GLN  76  -2.291  -4.367  13.732
  570    H    LEU  77           HN       LEU  77  -2.059  -4.917   7.457
  571    HA   LEU  77           HA       LEU  77   0.371  -6.258   8.014
  572    HB2  LEU  77           HB2      LEU  77  -0.630  -7.697   6.197
  573    HB3  LEU  77           HB1      LEU  77  -0.567  -6.307   5.138
  574    HG   LEU  77           HG       LEU  77   1.283  -8.072   4.936
  575   HD11  LEU  77          HD11      LEU  77   2.041  -5.180   5.292
  576   HD12  LEU  77          HD12      LEU  77   1.396  -5.917   3.826
  577   HD13  LEU  77          HD13      LEU  77   2.981  -6.397   4.429
  578   HD21  LEU  77          HD21      LEU  77   2.267  -6.631   7.396
  579   HD22  LEU  77          HD22      LEU  77   3.188  -7.790   6.438
  580   HD23  LEU  77          HD23      LEU  77   1.752  -8.316   7.315
  581    H    LEU  78           HN       LEU  78   2.094  -4.809   7.574
  582    HA   LEU  78           HA       LEU  78   1.045  -2.155   6.980
  583    HB2  LEU  78           HB2      LEU  78   2.853  -1.169   8.251
  584    HB3  LEU  78           HB1      LEU  78   1.976  -2.311   9.256
  585    HG   LEU  78           HG       LEU  78   4.583  -3.008   7.898
  586   HD11  LEU  78          HD11      LEU  78   4.137  -1.936  10.679
  587   HD12  LEU  78          HD12      LEU  78   4.956  -1.101   9.359
  588   HD13  LEU  78          HD13      LEU  78   5.660  -2.564  10.049
  589   HD21  LEU  78          HD21      LEU  78   4.674  -4.748   9.623
  590   HD22  LEU  78          HD22      LEU  78   3.237  -4.910   8.614
  591   HD23  LEU  78          HD23      LEU  78   3.104  -4.223  10.232
  592    H    LEU  79           HN       LEU  79   2.102  -0.920   5.424
  593    HA   LEU  79           HA       LEU  79   3.909  -2.484   3.703
  594    HB2  LEU  79           HB2      LEU  79   1.836  -0.438   2.925
  595    HB3  LEU  79           HB1      LEU  79   3.046  -1.067   1.823
  596    HG   LEU  79           HG       LEU  79   0.913  -2.714   3.188
  597   HD11  LEU  79          HD11      LEU  79  -0.073  -2.874   0.956
  598   HD12  LEU  79          HD12      LEU  79   1.157  -1.774   0.333
  599   HD13  LEU  79          HD13      LEU  79  -0.019  -1.203   1.518
  600   HD21  LEU  79          HD21      LEU  79   1.646  -4.479   1.642
  601   HD22  LEU  79          HD22      LEU  79   2.924  -4.005   2.761
  602   HD23  LEU  79          HD23      LEU  79   2.958  -3.437   1.092
  603    HA   PRO  80           HA       PRO  80   6.659   0.934   4.357
  604    HB2  PRO  80           HB2      PRO  80   8.765  -0.108   3.028
  605    HB3  PRO  80           HB1      PRO  80   8.237  -0.709   4.602
  606    HG2  PRO  80           HG2      PRO  80   7.987  -1.946   1.943
  607    HG3  PRO  80           HG1      PRO  80   7.947  -2.703   3.546
  608    HD2  PRO  80           HD2      PRO  80   5.737  -2.013   1.844
  609    HD3  PRO  80           HD1      PRO  80   5.693  -2.785   3.440
  610    H    CYS  81           HN       CYS  81   6.122   2.734   3.305
  611    HA   CYS  81           HA       CYS  81   6.271   2.968   0.441
  612    HB2  CYS  81           HB2      CYS  81   5.109   4.437   2.616
  613    HB3  CYS  81           HB1      CYS  81   6.023   5.520   1.564
  614    H    THR  82           HN       THR  82   8.128   3.035  -0.511
  615    HA   THR  82           HA       THR  82  10.482   4.228   0.685
  616    HB   THR  82           HB       THR  82  10.015   3.120  -2.098
  617    HG1  THR  82           HG1      THR  82  10.317   1.240  -1.190
  618   HG21  THR  82          HG21      THR  82  12.598   3.787  -0.678
  619   HG22  THR  82          HG22      THR  82  11.896   4.691  -2.021
  620   HG23  THR  82          HG23      THR  82  12.455   3.035  -2.267
  621    HA   PRO  83           HA       PRO  83   9.541   8.269  -1.040
  622    HB2  PRO  83           HB2      PRO  83  12.383   8.823  -0.507
  623    HB3  PRO  83           HB1      PRO  83  10.947   9.621   0.142
  624    HG2  PRO  83           HG2      PRO  83  12.488   8.032   1.666
  625    HG3  PRO  83           HG1      PRO  83  10.728   8.111   1.875
  626    HD2  PRO  83           HD2      PRO  83  12.379   6.035   0.480
  627    HD3  PRO  83           HD1      PRO  83  10.978   5.825   1.555
  628    H    GLN  84           HN       GLN  84   9.517   8.677  -3.152
  629    HA   GLN  84           HA       GLN  84  10.874   7.360  -5.092
  630    HB2  GLN  84           HB2      GLN  84   8.910   8.840  -5.434
  631    HB3  GLN  84           HB1      GLN  84   9.971  10.238  -5.274
  632    HG2  GLN  84           HG2      GLN  84  11.144   9.655  -7.273
  633    HG3  GLN  84           HG1      GLN  84  10.278   8.124  -7.392
  634   HE21  GLN  84          HE21      GLN  84   7.755   9.343  -6.545
  635   HE22  GLN  84          HE22      GLN  84   7.177  10.232  -7.918
  636    H    LYS  85           HN       LYS  85  12.781   7.585  -6.230
  637    HA   LYS  85           HA       LYS  85  14.820   9.149  -4.816
  638    HB2  LYS  85           HB2      LYS  85  15.177   6.662  -5.043
  639    HB3  LYS  85           HB1      LYS  85  15.258   6.892  -6.784
  640    HG2  LYS  85           HG2      LYS  85  17.486   6.760  -5.920
  641    HG3  LYS  85           HG1      LYS  85  17.184   8.417  -6.447
  642    HD2  LYS  85           HD2      LYS  85  18.328   8.489  -4.336
  643    HD3  LYS  85           HD1      LYS  85  16.658   9.005  -4.085
  644    HE2  LYS  85           HE2      LYS  85  16.159   6.612  -3.423
  645    HE3  LYS  85           HE1      LYS  85  17.902   6.350  -3.400
  646    HZ1  LYS  85           HZ1      LYS  85  17.122   6.865  -1.199
  647    HZ2  LYS  85           HZ2      LYS  85  16.391   8.291  -1.744
  648    HZ3  LYS  85           HZ3      LYS  85  18.078   8.151  -1.757
  Start of MODEL    7
    1    H1   VAL   1           HT1      VAL   1  -8.804 -22.908  -4.567
    2    H2   VAL   1           HT2      VAL   1 -10.370 -23.224  -4.000
    3    H3   VAL   1           HT3      VAL   1  -9.149 -22.773  -2.911
    4    HA   VAL   1           HA       VAL   1 -10.273 -21.076  -5.063
    5    HB   VAL   1           HB       VAL   1 -11.187 -19.684  -3.292
    6   HG11  VAL   1          HG11      VAL   1 -12.924 -21.196  -2.422
    7   HG12  VAL   1          HG12      VAL   1 -11.982 -22.574  -2.994
    8   HG13  VAL   1          HG13      VAL   1 -12.632 -21.412  -4.149
    9   HG21  VAL   1          HG21      VAL   1  -9.534 -20.096  -1.560
   10   HG22  VAL   1          HG22      VAL   1 -10.119 -21.750  -1.373
   11   HG23  VAL   1          HG23      VAL   1 -11.161 -20.392  -0.947
   12    H    LEU   2           HN       LEU   2  -9.564 -18.791  -4.794
   13    HA   LEU   2           HA       LEU   2  -6.697 -18.748  -4.227
   14    HB2  LEU   2           HB2      LEU   2  -8.461 -16.746  -5.637
   15    HB3  LEU   2           HB1      LEU   2  -6.725 -16.596  -5.444
   16    HG   LEU   2           HG       LEU   2  -8.133 -18.766  -7.000
   17   HD11  LEU   2          HD11      LEU   2  -8.261 -16.583  -8.084
   18   HD12  LEU   2          HD12      LEU   2  -7.190 -17.675  -8.961
   19   HD13  LEU   2          HD13      LEU   2  -6.512 -16.408  -7.939
   20   HD21  LEU   2          HD21      LEU   2  -6.053 -19.547  -5.986
   21   HD22  LEU   2          HD22      LEU   2  -5.195 -18.171  -6.678
   22   HD23  LEU   2          HD23      LEU   2  -5.891 -19.397  -7.737
   23    H    LYS   3           HN       LYS   3  -9.151 -16.216  -3.948
   24    HA   LYS   3           HA       LYS   3  -9.660 -14.713  -2.340
   25    HB2  LYS   3           HB2      LYS   3  -9.788 -16.993  -0.979
   26    HB3  LYS   3           HB1      LYS   3  -8.375 -16.320  -0.175
   27    HG2  LYS   3           HG2      LYS   3 -10.334 -15.755   1.085
   28    HG3  LYS   3           HG1      LYS   3  -9.690 -14.287   0.343
   29    HD2  LYS   3           HD2      LYS   3 -11.344 -14.624  -1.520
   30    HD3  LYS   3           HD1      LYS   3 -12.064 -15.913  -0.554
   31    HE2  LYS   3           HE2      LYS   3 -13.335 -13.927  -0.180
   32    HE3  LYS   3           HE1      LYS   3 -12.396 -14.251   1.278
   33    HZ1  LYS   3           HZ1      LYS   3 -12.425 -11.880   0.492
   34    HZ2  LYS   3           HZ2      LYS   3 -11.484 -12.372  -0.827
   35    HZ3  LYS   3           HZ3      LYS   3 -10.885 -12.539   0.749
   36    H    GLY   4           HN       GLY   4  -8.203 -13.942  -0.036
   37    HA2  GLY   4           HA2      GLY   4  -6.210 -12.925   0.651
   38    HA3  GLY   4           HA1      GLY   4  -5.427 -13.517  -0.815
   39    H    LYS   5           HN       LYS   5  -4.672 -11.153  -0.808
   40    HA   LYS   5           HA       LYS   5  -4.716  -9.114  -1.566
   41    HB2  LYS   5           HB2      LYS   5  -5.815 -10.591  -3.954
   42    HB3  LYS   5           HB1      LYS   5  -5.390  -8.890  -4.006
   43    HG2  LYS   5           HG2      LYS   5  -3.611 -10.232  -4.931
   44    HG3  LYS   5           HG1      LYS   5  -3.075  -9.454  -3.448
   45    HD2  LYS   5           HD2      LYS   5  -3.476 -11.571  -2.235
   46    HD3  LYS   5           HD1      LYS   5  -3.930 -12.329  -3.763
   47    HE2  LYS   5           HE2      LYS   5  -1.264 -11.009  -3.308
   48    HE3  LYS   5           HE1      LYS   5  -1.557 -12.718  -2.990
   49    HZ1  LYS   5           HZ1      LYS   5  -1.993 -13.120  -5.246
   50    HZ2  LYS   5           HZ2      LYS   5  -0.597 -12.153  -5.229
   51    HZ3  LYS   5           HZ3      LYS   5  -2.098 -11.473  -5.624
   52    H    ARG   6           HN       ARG   6  -6.764  -9.391   0.062
   53    HA   ARG   6           HA       ARG   6  -7.266  -6.721  -0.387
   54    HB2  ARG   6           HB2      ARG   6  -9.182  -7.285  -1.554
   55    HB3  ARG   6           HB1      ARG   6  -9.629  -8.580  -0.427
   56    HG2  ARG   6           HG2      ARG   6  -9.633  -5.625   0.183
   57    HG3  ARG   6           HG1      ARG   6 -11.029  -6.545  -0.339
   58    HD2  ARG   6           HD2      ARG   6  -9.475  -7.150   2.164
   59    HD3  ARG   6           HD1      ARG   6 -10.895  -6.100   2.126
   60    HE   ARG   6           HE       ARG   6 -11.981  -8.235   1.116
   61   HH11  ARG   6          HH11      ARG   6  -9.525  -8.164   3.607
   62   HH12  ARG   6          HH12      ARG   6 -10.143  -9.557   4.446
   63   HH21  ARG   6          HH21      ARG   6 -12.810 -10.055   2.214
   64   HH22  ARG   6          HH22      ARG   6 -11.988 -10.652   3.628
   65    H    LEU   7           HN       LEU   7  -7.297  -5.728   1.503
   66    HA   LEU   7           HA       LEU   7  -6.531  -7.389   3.582
   67    HB2  LEU   7           HB2      LEU   7  -4.251  -5.913   3.505
   68    HB3  LEU   7           HB1      LEU   7  -4.401  -7.605   3.083
   69    HG   LEU   7           HG       LEU   7  -3.232  -6.243   1.407
   70   HD11  LEU   7          HD11      LEU   7  -4.149  -8.360   0.937
   71   HD12  LEU   7          HD12      LEU   7  -4.162  -7.278  -0.454
   72   HD13  LEU   7          HD13      LEU   7  -5.648  -7.574   0.444
   73   HD21  LEU   7          HD21      LEU   7  -5.883  -4.895   1.063
   74   HD22  LEU   7          HD22      LEU   7  -4.548  -4.769  -0.079
   75   HD23  LEU   7          HD23      LEU   7  -4.371  -4.143   1.558
   76    H    PHE   8           HN       PHE   8  -5.186  -5.858   5.139
   77    HA   PHE   8           HA       PHE   8  -6.699  -3.369   5.371
   78    HB2  PHE   8           HB2      PHE   8  -5.641  -4.674   7.860
   79    HB3  PHE   8           HB1      PHE   8  -6.958  -3.520   7.686
   80    HD1  PHE   8           HD1      PHE   8  -8.372  -5.268   5.450
   81    HD2  PHE   8           HD2      PHE   8  -6.877  -6.082   9.353
   82    HE1  PHE   8           HE1      PHE   8  -9.991  -7.104   5.689
   83    HE2  PHE   8           HE2      PHE   8  -8.492  -7.918   9.590
   84    HZ   PHE   8           HZ       PHE   8 -10.049  -8.433   7.757
   85    H    ALA   9           HN       ALA   9  -5.062  -2.213   4.412
   86    HA   ALA   9           HA       ALA   9  -2.320  -3.108   4.911
   87    HB1  ALA   9           HB1      ALA   9  -3.052  -3.009   2.575
   88    HB2  ALA   9           HB2      ALA   9  -1.726  -1.891   2.895
   89    HB3  ALA   9           HB3      ALA   9  -3.378  -1.286   2.755
   90    H    ILE  10           HN       ILE  10  -1.201  -2.065   6.359
   91    HA   ILE  10           HA       ILE  10  -1.840   0.744   6.942
   92    HB   ILE  10           HB       ILE  10  -0.014  -1.116   8.486
   93   HG12  ILE  10          HG12      ILE  10  -2.830  -0.213   9.142
   94   HG13  ILE  10          HG11      ILE  10  -2.398  -1.819   8.563
   95   HG21  ILE  10          HG21      ILE  10   0.560   1.243   8.722
   96   HG22  ILE  10          HG22      ILE  10  -0.118   0.612  10.224
   97   HG23  ILE  10          HG23      ILE  10  -1.107   1.616   9.162
   98   HD11  ILE  10          HD11      ILE  10  -1.487  -0.575  11.150
   99   HD12  ILE  10          HD12      ILE  10  -1.070  -2.188  10.571
  100   HD13  ILE  10          HD13      ILE  10  -2.743  -1.799  10.968
  101    H    LEU  11           HN       LEU  11  -0.601   2.123   5.708
  102    HA   LEU  11           HA       LEU  11   1.803   1.007   4.516
  103    HB2  LEU  11           HB2      LEU  11  -0.076   3.130   3.496
  104    HB3  LEU  11           HB1      LEU  11   1.564   2.982   2.907
  105    HG   LEU  11           HG       LEU  11   0.184   1.927   1.316
  106   HD11  LEU  11          HD11      LEU  11   1.386  -0.222   3.047
  107   HD12  LEU  11          HD12      LEU  11   2.223   0.713   1.808
  108   HD13  LEU  11          HD13      LEU  11   0.926  -0.392   1.352
  109   HD21  LEU  11          HD21      LEU  11  -1.397   0.135   1.873
  110   HD22  LEU  11          HD22      LEU  11  -1.830   1.673   2.616
  111   HD23  LEU  11          HD23      LEU  11  -1.081   0.406   3.587
  112    H    ARG  12           HN       ARG  12   3.590   1.841   5.288
  113    HA   ARG  12           HA       ARG  12   3.615   4.694   6.135
  114    HB2  ARG  12           HB2      ARG  12   3.516   3.110   8.045
  115    HB3  ARG  12           HB1      ARG  12   5.054   2.432   7.506
  116    HG2  ARG  12           HG2      ARG  12   6.238   4.241   8.140
  117    HG3  ARG  12           HG1      ARG  12   4.915   5.360   7.800
  118    HD2  ARG  12           HD2      ARG  12   5.098   5.391  10.086
  119    HD3  ARG  12           HD1      ARG  12   3.756   4.299   9.800
  120    HE   ARG  12           HE       ARG  12   5.815   2.590   9.931
  121   HH11  ARG  12          HH11      ARG  12   4.998   5.278  12.025
  122   HH12  ARG  12          HH12      ARG  12   5.534   4.471  13.469
  123   HH21  ARG  12          HH21      ARG  12   6.544   1.549  11.797
  124   HH22  ARG  12          HH22      ARG  12   6.435   2.342  13.343
  125    H    LEU  13           HN       LEU  13   5.436   5.844   5.428
  126    HA   LEU  13           HA       LEU  13   7.288   4.234   3.881
  127    HB2  LEU  13           HB2      LEU  13   8.120   6.307   2.796
  128    HB3  LEU  13           HB1      LEU  13   6.535   5.764   2.298
  129    HG   LEU  13           HG       LEU  13   6.889   8.038   4.252
  130   HD11  LEU  13          HD11      LEU  13   8.161   8.513   2.232
  131   HD12  LEU  13          HD12      LEU  13   6.691   9.490   2.272
  132   HD13  LEU  13          HD13      LEU  13   6.772   8.052   1.245
  133   HD21  LEU  13          HD21      LEU  13   4.615   7.019   4.010
  134   HD22  LEU  13          HD22      LEU  13   4.678   7.381   2.288
  135   HD23  LEU  13          HD23      LEU  13   4.674   8.696   3.463
  136    H    ALA  14           HN       ALA  14   8.905   3.730   4.910
  137    HA   ALA  14           HA       ALA  14   9.442   4.413   7.500
  138    HB1  ALA  14           HB1      ALA  14  11.387   3.178   5.564
  139    HB2  ALA  14           HB2      ALA  14  10.105   2.318   6.416
  140    HB3  ALA  14           HB3      ALA  14  11.426   3.052   7.324
  141    H    ASP  15           HN       ASP  15  10.581   6.168   4.735
  142    HA   ASP  15           HA       ASP  15  12.699   7.464   5.797
  143    HB2  ASP  15           HB2      ASP  15  11.733   7.795   3.496
  144    HB3  ASP  15           HB1      ASP  15  10.550   8.890   4.219
  145    H    GLY  16           HN       GLY  16   9.400   7.823   6.803
  146    HA2  GLY  16           HA2      GLY  16   9.394   8.368   9.316
  147    HA3  GLY  16           HA1      GLY  16  10.324   9.776   8.790
  148    H    SER  17           HN       SER  17   7.686   8.235   7.058
  149    HA   SER  17           HA       SER  17   6.008  10.507   7.450
  150    HB2  SER  17           HB2      SER  17   7.204   9.922   4.734
  151    HB3  SER  17           HB1      SER  17   5.803  10.957   4.991
  152    HG   SER  17           HG       SER  17   8.486  11.412   5.557
  153    H    GLN  18           HN       GLN  18   3.980  10.190   5.981
  154    HA   GLN  18           HA       GLN  18   3.338   7.315   6.109
  155    HB2  GLN  18           HB2      GLN  18   2.209   9.419   7.556
  156    HB3  GLN  18           HB1      GLN  18   1.041   9.000   6.297
  157    HG2  GLN  18           HG2      GLN  18   1.001   6.720   7.076
  158    HG3  GLN  18           HG1      GLN  18   2.335   7.040   8.187
  159   HE21  GLN  18          HE21      GLN  18   1.256   9.635   8.996
  160   HE22  GLN  18          HE22      GLN  18  -0.086   9.279  10.052
  161    HA   PRO  19           HA       PRO  19   1.288   8.142   2.217
  162    HB2  PRO  19           HB2      PRO  19   0.217   5.448   2.480
  163    HB3  PRO  19           HB1      PRO  19   1.292   6.072   1.223
  164    HG2  PRO  19           HG2      PRO  19   2.086   4.250   3.080
  165    HG3  PRO  19           HG1      PRO  19   3.188   5.426   2.339
  166    HD2  PRO  19           HD2      PRO  19   1.843   5.513   5.017
  167    HD3  PRO  19           HD1      PRO  19   3.509   5.953   4.578
  168    HA   PRO  20           HA       PRO  20  -1.870   8.777   5.242
  169    HB2  PRO  20           HB2      PRO  20  -1.889  11.363   5.010
  170    HB3  PRO  20           HB1      PRO  20  -0.344  10.589   5.326
  171    HG2  PRO  20           HG2      PRO  20  -1.430  11.667   2.762
  172    HG3  PRO  20           HG1      PRO  20   0.211  11.777   3.424
  173    HD2  PRO  20           HD2      PRO  20  -0.790   9.814   1.621
  174    HD3  PRO  20           HD1      PRO  20   0.800   9.835   2.423
  175    H    PHE  21           HN       PHE  21  -3.812  10.703   4.951
  176    HA   PHE  21           HA       PHE  21  -5.919   9.263   4.091
  177    HB2  PHE  21           HB2      PHE  21  -5.683  11.507   5.358
  178    HB3  PHE  21           HB1      PHE  21  -5.936  12.190   3.777
  179    HD1  PHE  21           HD1      PHE  21  -8.034  10.947   2.495
  180    HD2  PHE  21           HD2      PHE  21  -7.510  11.434   6.692
  181    HE1  PHE  21           HE1      PHE  21 -10.461  10.734   2.825
  182    HE2  PHE  21           HE2      PHE  21  -9.936  11.225   7.022
  183    HZ   PHE  21           HZ       PHE  21 -11.415  10.873   5.088
  184    H    GLY  22           HN       GLY  22  -5.582   8.234   2.074
  185    HA2  GLY  22           HA2      GLY  22  -6.910   8.343  -0.013
  186    HA3  GLY  22           HA1      GLY  22  -6.191   9.926  -0.232
  187    H    ALA  23           HN       ALA  23  -4.058   7.747   1.265
  188    HA   ALA  23           HA       ALA  23  -2.333   7.634  -0.731
  189    HB1  ALA  23           HB1      ALA  23  -1.771   6.978   1.520
  190    HB2  ALA  23           HB2      ALA  23  -1.161   5.847   0.314
  191    HB3  ALA  23           HB3      ALA  23  -2.600   5.444   1.255
  192    H    SER  24           HN       SER  24  -3.447   7.349  -2.582
  193    HA   SER  24           HA       SER  24  -4.679   5.019  -3.438
  194    HB2  SER  24           HB2      SER  24  -3.509   7.441  -4.648
  195    HB3  SER  24           HB1      SER  24  -3.693   6.080  -5.755
  196    HG   SER  24           HG       SER  24  -5.784   7.019  -4.062
  197    H    VAL  25           HN       VAL  25  -3.507   3.077  -3.080
  198    HA   VAL  25           HA       VAL  25  -0.780   3.049  -4.051
  199    HB   VAL  25           HB       VAL  25  -0.315   1.045  -2.959
  200   HG11  VAL  25          HG11      VAL  25  -2.007   2.713  -1.117
  201   HG12  VAL  25          HG12      VAL  25  -0.292   2.938  -1.464
  202   HG13  VAL  25          HG13      VAL  25  -0.835   1.502  -0.595
  203   HG21  VAL  25          HG21      VAL  25  -2.145  -0.059  -1.506
  204   HG22  VAL  25          HG22      VAL  25  -2.041  -0.427  -3.228
  205   HG23  VAL  25          HG23      VAL  25  -3.246   0.719  -2.644
  206    H    THR  26           HN       THR  26  -0.432   2.556  -6.054
  207    HA   THR  26           HA       THR  26  -2.113   0.529  -7.288
  208    HB   THR  26           HB       THR  26  -3.438   2.221  -8.096
  209    HG1  THR  26           HG1      THR  26  -2.670   2.694 -10.288
  210   HG21  THR  26          HG21      THR  26  -1.013   3.983  -8.399
  211   HG22  THR  26          HG22      THR  26  -2.254   4.116  -7.152
  212   HG23  THR  26          HG23      THR  26  -2.660   4.432  -8.838
  213    H    SER  27           HN       SER  27  -0.899  -0.648  -8.817
  214    HA   SER  27           HA       SER  27   1.927  -0.093  -8.331
  215    HB2  SER  27           HB2      SER  27   0.502  -2.682  -8.870
  216    HB3  SER  27           HB1      SER  27   2.255  -2.517  -8.923
  217    HG   SER  27           HG       SER  27   2.318  -2.410  -6.830
  218    H    GLU  28           HN       GLU  28   3.040  -1.552 -10.319
  219    HA   GLU  28           HA       GLU  28   3.778   0.069 -12.142
  220    HB2  GLU  28           HB2      GLU  28   4.261  -2.400 -12.019
  221    HB3  GLU  28           HB1      GLU  28   2.895  -2.638 -13.095
  222    HG2  GLU  28           HG2      GLU  28   3.973  -1.305 -14.805
  223    HG3  GLU  28           HG1      GLU  28   5.327  -0.986 -13.720
  224    H    LYS  29           HN       LYS  29   1.084  -1.955 -13.349
  225    HA   LYS  29           HA       LYS  29   0.637  -0.027 -15.399
  226    HB2  LYS  29           HB2      LYS  29  -0.971  -1.662 -16.285
  227    HB3  LYS  29           HB1      LYS  29   0.582  -2.393 -15.904
  228    HG2  LYS  29           HG2      LYS  29  -0.354  -3.247 -13.798
  229    HG3  LYS  29           HG1      LYS  29  -1.917  -2.552 -14.229
  230    HD2  LYS  29           HD2      LYS  29  -0.433  -4.633 -15.833
  231    HD3  LYS  29           HD1      LYS  29  -1.776  -4.962 -14.739
  232    HE2  LYS  29           HE2      LYS  29  -3.241  -3.577 -16.106
  233    HE3  LYS  29           HE1      LYS  29  -1.898  -3.199 -17.185
  234    HZ1  LYS  29           HZ1      LYS  29  -3.281  -4.942 -18.102
  235    HZ2  LYS  29           HZ2      LYS  29  -3.052  -5.900 -16.719
  236    HZ3  LYS  29           HZ3      LYS  29  -1.741  -5.551 -17.737
  237    H    GLY  30           HN       GLY  30  -0.794  -0.430 -12.342
  238    HA2  GLY  30           HA2      GLY  30  -2.159   1.566 -11.680
  239    HA3  GLY  30           HA1      GLY  30  -3.068   1.217 -13.138
  240    H    ARG  31           HN       ARG  31  -1.591  -0.899 -10.830
  241    HA   ARG  31           HA       ARG  31  -4.023  -2.462 -10.678
  242    HB2  ARG  31           HB2      ARG  31  -1.261  -2.888  -9.504
  243    HB3  ARG  31           HB1      ARG  31  -2.629  -3.966  -9.234
  244    HG2  ARG  31           HG2      ARG  31  -2.698  -4.571 -11.544
  245    HG3  ARG  31           HG1      ARG  31  -1.521  -3.325 -11.958
  246    HD2  ARG  31           HD2      ARG  31  -0.355  -5.382 -11.943
  247    HD3  ARG  31           HD1      ARG  31   0.110  -4.530 -10.473
  248    HE   ARG  31           HE       ARG  31  -2.049  -6.489 -10.278
  249   HH11  ARG  31          HH11      ARG  31   1.289  -5.635  -9.708
  250   HH12  ARG  31          HH12      ARG  31   1.593  -6.950  -8.615
  251   HH21  ARG  31          HH21      ARG  31  -1.671  -8.253  -8.835
  252   HH22  ARG  31          HH22      ARG  31  -0.085  -8.454  -8.142
  253    H    GLU  32           HN       GLU  32  -5.461  -1.604  -9.143
  254    HA   GLU  32           HA       GLU  32  -4.255   0.398  -7.410
  255    HB2  GLU  32           HB2      GLU  32  -7.158   0.259  -8.191
  256    HB3  GLU  32           HB1      GLU  32  -6.316   1.594  -7.411
  257    HG2  GLU  32           HG2      GLU  32  -4.884   1.720  -9.524
  258    HG3  GLU  32           HG1      GLU  32  -6.075   0.639 -10.243
  259    H    LEU  33           HN       LEU  33  -3.800  -0.627  -5.573
  260    HA   LEU  33           HA       LEU  33  -5.687  -2.701  -4.630
  261    HB2  LEU  33           HB2      LEU  33  -2.756  -2.483  -3.989
  262    HB3  LEU  33           HB1      LEU  33  -3.860  -3.738  -3.498
  263    HG   LEU  33           HG       LEU  33  -2.822  -4.859  -5.175
  264   HD11  LEU  33          HD11      LEU  33  -3.987  -4.767  -7.305
  265   HD12  LEU  33          HD12      LEU  33  -4.715  -3.227  -6.849
  266   HD13  LEU  33          HD13      LEU  33  -5.121  -4.691  -5.956
  267   HD21  LEU  33          HD21      LEU  33  -1.726  -3.824  -7.075
  268   HD22  LEU  33          HD22      LEU  33  -1.209  -3.092  -5.556
  269   HD23  LEU  33          HD23      LEU  33  -2.363  -2.253  -6.593
  270    H    GLY  34           HN       GLY  34  -4.528   0.367  -3.876
  271    HA2  GLY  34           HA2      GLY  34  -5.998   0.148  -1.345
  272    HA3  GLY  34           HA1      GLY  34  -4.289   0.527  -1.253
  273    H    MET  35           HN       MET  35  -6.614   2.025  -0.371
  274    HA   MET  35           HA       MET  35  -5.441   4.560  -1.167
  275    HB2  MET  35           HB2      MET  35  -8.454   4.346  -0.979
  276    HB3  MET  35           HB1      MET  35  -7.490   5.746  -1.440
  277    HG2  MET  35           HG2      MET  35  -6.961   4.856  -3.512
  278    HG3  MET  35           HG1      MET  35  -7.463   3.223  -3.022
  279    HE1  MET  35           HE1      MET  35  -8.340   4.718  -5.792
  280    HE2  MET  35           HE2      MET  35 -10.015   4.172  -5.868
  281    HE3  MET  35           HE3      MET  35  -8.749   3.059  -5.352
  282    H    VAL  36           HN       VAL  36  -4.701   5.181   0.849
  283    HA   VAL  36           HA       VAL  36  -5.894   3.733   3.069
  284    HB   VAL  36           HB       VAL  36  -4.097   4.283   4.390
  285   HG11  VAL  36          HG11      VAL  36  -3.433   2.764   2.683
  286   HG12  VAL  36          HG12      VAL  36  -2.083   3.811   3.122
  287   HG13  VAL  36          HG13      VAL  36  -2.981   4.108   1.634
  288   HG21  VAL  36          HG21      VAL  36  -2.395   6.008   3.874
  289   HG22  VAL  36          HG22      VAL  36  -3.989   6.614   4.327
  290   HG23  VAL  36          HG23      VAL  36  -3.502   6.605   2.633
  291    H    ALA  37           HN       ALA  37  -7.588   4.548   4.183
  292    HA   ALA  37           HA       ALA  37  -8.053   7.434   3.856
  293    HB1  ALA  37           HB1      ALA  37 -10.144   5.346   4.449
  294    HB2  ALA  37           HB2      ALA  37  -9.873   6.111   2.882
  295    HB3  ALA  37           HB3      ALA  37 -10.408   7.080   4.253
  296    H    ASP  38           HN       ASP  38  -7.564   8.530   5.546
  297    HA   ASP  38           HA       ASP  38  -7.403   9.283   7.668
  298    HB2  ASP  38           HB2      ASP  38  -9.607   8.440   8.216
  299    HB3  ASP  38           HB1      ASP  38  -8.985   6.802   8.387
  300    H    GLU  39           HN       GLU  39  -5.513   9.321   8.560
  301    HA   GLU  39           HA       GLU  39  -3.500   8.774   9.389
  302    HB2  GLU  39           HB2      GLU  39  -4.800   6.096   9.912
  303    HB3  GLU  39           HB1      GLU  39  -3.241   6.614  10.552
  304    HG2  GLU  39           HG2      GLU  39  -5.812   8.080  11.067
  305    HG3  GLU  39           HG1      GLU  39  -5.176   6.823  12.126
  306    H    GLY  40           HN       GLY  40  -3.667   5.421   8.589
  307    HA2  GLY  40           HA2      GLY  40  -2.489   5.754   5.947
  308    HA3  GLY  40           HA1      GLY  40  -1.392   5.236   7.226
  309    H    LEU  41           HN       LEU  41  -4.789   4.357   6.662
  310    HA   LEU  41           HA       LEU  41  -3.909   1.588   6.170
  311    HB2  LEU  41           HB2      LEU  41  -4.838   2.266   8.516
  312    HB3  LEU  41           HB1      LEU  41  -6.390   2.267   7.713
  313    HG   LEU  41           HG       LEU  41  -4.560  -0.134   7.833
  314   HD11  LEU  41          HD11      LEU  41  -6.976   0.512   9.516
  315   HD12  LEU  41          HD12      LEU  41  -5.302   0.516  10.070
  316   HD13  LEU  41          HD13      LEU  41  -6.054  -0.991   9.550
  317   HD21  LEU  41          HD21      LEU  41  -7.466   0.125   7.068
  318   HD22  LEU  41          HD22      LEU  41  -6.550  -1.380   7.171
  319   HD23  LEU  41          HD23      LEU  41  -6.126  -0.170   5.961
  320    H    ALA  42           HN       ALA  42  -4.776   0.672   4.409
  321    HA   ALA  42           HA       ALA  42  -7.160   1.939   3.213
  322    HB1  ALA  42           HB1      ALA  42  -5.070   0.435   1.646
  323    HB2  ALA  42           HB2      ALA  42  -5.053   2.186   1.850
  324    HB3  ALA  42           HB3      ALA  42  -6.402   1.413   1.010
  325    H    TRP  43           HN       TRP  43  -8.869   0.641   2.833
  326    HA   TRP  43           HA       TRP  43  -8.721  -2.141   3.744
  327    HB2  TRP  43           HB2      TRP  43 -10.949  -0.265   3.110
  328    HB3  TRP  43           HB1      TRP  43 -11.209  -1.966   3.517
  329    HD1  TRP  43           HD1      TRP  43 -10.083   1.327   5.073
  330    HE1  TRP  43           HE1      TRP  43  -9.718   0.940   7.588
  331    HE3  TRP  43           HE3      TRP  43 -10.852  -3.702   5.212
  332    HZ2  TRP  43           HZ2      TRP  43  -9.710  -1.220   9.283
  333    HZ3  TRP  43           HZ3      TRP  43 -10.661  -4.862   7.373
  334    HH2  TRP  43           HH2      TRP  43 -10.115  -3.625   9.405
  335    H    LEU  44           HN       LEU  44  -7.707  -2.990   1.714
  336    HA   LEU  44           HA       LEU  44  -9.138  -2.486  -0.811
  337    HB2  LEU  44           HB2      LEU  44  -6.814  -1.040   0.084
  338    HB3  LEU  44           HB1      LEU  44  -6.517  -1.873  -1.431
  339    HG   LEU  44           HG       LEU  44  -7.485   0.632  -1.290
  340   HD11  LEU  44          HD11      LEU  44  -6.768  -0.236  -3.350
  341   HD12  LEU  44          HD12      LEU  44  -8.452   0.276  -3.582
  342   HD13  LEU  44          HD13      LEU  44  -8.076  -1.437  -3.383
  343   HD21  LEU  44          HD21      LEU  44  -9.948  -1.045  -1.560
  344   HD22  LEU  44          HD22      LEU  44  -9.830   0.705  -1.750
  345   HD23  LEU  44          HD23      LEU  44  -9.541  -0.034  -0.175
  346    H    SER  45           HN       SER  45  -6.499  -3.587  -2.195
  347    HA   SER  45           HA       SER  45  -7.367  -6.177  -1.742
  348    HB2  SER  45           HB2      SER  45  -7.751  -6.660  -4.161
  349    HB3  SER  45           HB1      SER  45  -9.005  -5.658  -3.428
  350    HG   SER  45           HG       SER  45  -8.491  -4.072  -4.712
  351    H    GLY  46           HN       GLY  46  -5.254  -6.265  -0.897
  352    HA2  GLY  46           HA2      GLY  46  -3.156  -4.844  -2.051
  353    HA3  GLY  46           HA1      GLY  46  -2.935  -6.207  -0.968
  354    H    VAL  47           HN       VAL  47  -0.904  -6.049  -2.348
  355    HA   VAL  47           HA       VAL  47  -1.162  -7.500  -4.889
  356    HB   VAL  47           HB       VAL  47   1.444  -6.813  -4.868
  357   HG11  VAL  47          HG11      VAL  47   0.819  -4.965  -6.369
  358   HG12  VAL  47          HG12      VAL  47  -0.855  -5.134  -5.839
  359   HG13  VAL  47          HG13      VAL  47  -0.067  -6.451  -6.708
  360   HG21  VAL  47          HG21      VAL  47   1.652  -4.490  -4.123
  361   HG22  VAL  47          HG22      VAL  47   1.279  -5.569  -2.778
  362   HG23  VAL  47          HG23      VAL  47   0.014  -4.553  -3.472
  363    H    THR  48           HN       THR  48   1.159  -8.644  -5.259
  364    HA   THR  48           HA       THR  48   1.192 -10.768  -3.245
  365    HB   THR  48           HB       THR  48   2.726 -10.687  -5.846
  366    HG1  THR  48           HG1      THR  48   0.865 -10.923  -6.817
  367   HG21  THR  48          HG21      THR  48   3.432 -12.372  -4.197
  368   HG22  THR  48          HG22      THR  48   2.727 -13.113  -5.631
  369   HG23  THR  48          HG23      THR  48   1.784 -12.998  -4.145
  370    HA   PRO  49           HA       PRO  49   4.835  -9.112  -1.240
  371    HB2  PRO  49           HB2      PRO  49   5.601 -11.992  -1.135
  372    HB3  PRO  49           HB1      PRO  49   5.551 -10.792   0.163
  373    HG2  PRO  49           HG2      PRO  49   3.656 -12.649  -0.044
  374    HG3  PRO  49           HG1      PRO  49   3.256 -10.984   0.434
  375    HD2  PRO  49           HD2      PRO  49   2.828 -12.366  -2.177
  376    HD3  PRO  49           HD1      PRO  49   1.830 -11.142  -1.364
  377    H    GLY  50           HN       GLY  50   6.556  -8.235  -2.278
  378    HA2  GLY  50           HA2      GLY  50   8.709  -8.690  -3.280
  379    HA3  GLY  50           HA1      GLY  50   7.935  -9.931  -4.265
  380    H    GLU  51           HN       GLU  51   7.101  -6.451  -3.713
  381    HA   GLU  51           HA       GLU  51   7.260  -6.091  -6.560
  382    HB2  GLU  51           HB2      GLU  51   4.585  -5.670  -5.234
  383    HB3  GLU  51           HB1      GLU  51   4.995  -5.237  -6.883
  384    HG2  GLU  51           HG2      GLU  51   5.535  -7.742  -7.151
  385    HG3  GLU  51           HG1      GLU  51   4.589  -7.903  -5.674
  386    H    THR  52           HN       THR  52   5.990  -3.768  -6.924
  387    HA   THR  52           HA       THR  52   6.509  -2.075  -4.621
  388    HB   THR  52           HB       THR  52   7.211  -1.426  -7.496
  389    HG1  THR  52           HG1      THR  52   8.692  -2.400  -5.319
  390   HG21  THR  52          HG21      THR  52   8.281   0.580  -6.587
  391   HG22  THR  52          HG22      THR  52   7.720   0.150  -4.971
  392   HG23  THR  52          HG23      THR  52   6.554   0.563  -6.229
  393    H    LEU  53           HN       LEU  53   4.858  -0.681  -4.106
  394    HA   LEU  53           HA       LEU  53   2.590  -0.508  -5.969
  395    HB2  LEU  53           HB2      LEU  53   3.078   0.349  -3.126
  396    HB3  LEU  53           HB1      LEU  53   1.691   0.921  -4.024
  397    HG   LEU  53           HG       LEU  53   2.275  -1.988  -3.568
  398   HD11  LEU  53          HD11      LEU  53   0.391  -0.179  -2.090
  399   HD12  LEU  53          HD12      LEU  53   1.854  -0.918  -1.436
  400   HD13  LEU  53          HD13      LEU  53   0.492  -1.931  -1.920
  401   HD21  LEU  53          HD21      LEU  53   0.890  -1.561  -5.492
  402   HD22  LEU  53          HD22      LEU  53  -0.116  -0.453  -4.557
  403   HD23  LEU  53          HD23      LEU  53  -0.126  -2.182  -4.189
  404    H    SER  54           HN       SER  54   1.988   1.454  -7.010
  405    HA   SER  54           HA       SER  54   3.692   3.736  -6.416
  406    HB2  SER  54           HB2      SER  54   3.343   2.694  -8.841
  407    HB3  SER  54           HB1      SER  54   1.916   3.736  -8.804
  408    HG   SER  54           HG       SER  54   3.908   4.685  -9.670
  409    H    VAL  55           HN       VAL  55   2.859   5.324  -5.219
  410    HA   VAL  55           HA       VAL  55   0.021   4.916  -4.602
  411    HB   VAL  55           HB       VAL  55   2.218   5.576  -2.675
  412   HG11  VAL  55          HG11      VAL  55  -0.623   4.724  -2.225
  413   HG12  VAL  55          HG12      VAL  55   0.070   6.310  -1.879
  414   HG13  VAL  55          HG13      VAL  55   0.597   4.895  -0.964
  415   HG21  VAL  55          HG21      VAL  55   2.020   3.225  -1.938
  416   HG22  VAL  55          HG22      VAL  55   2.694   3.427  -3.560
  417   HG23  VAL  55          HG23      VAL  55   1.009   2.922  -3.353
  418    H    ASN  56           HN       ASN  56  -1.091   6.613  -5.130
  419    HA   ASN  56           HA       ASN  56   0.132   9.230  -5.441
  420    HB2  ASN  56           HB2      ASN  56  -2.627   8.149  -6.031
  421    HB3  ASN  56           HB1      ASN  56  -2.286   9.876  -6.065
  422   HD21  ASN  56          HD21      ASN  56  -1.832   6.830  -7.615
  423   HD22  ASN  56          HD22      ASN  56  -1.151   7.455  -9.096
  424    H    TRP  57           HN       TRP  57  -0.241  10.925  -4.232
  425    HA   TRP  57           HA       TRP  57  -2.052  10.780  -1.993
  426    HB2  TRP  57           HB2      TRP  57  -0.206   9.888  -0.968
  427    HB3  TRP  57           HB1      TRP  57   0.906  10.741  -2.017
  428    HD1  TRP  57           HD1      TRP  57  -1.442  13.070  -0.273
  429    HE1  TRP  57           HE1      TRP  57  -0.190  14.299   1.581
  430    HE3  TRP  57           HE3      TRP  57   2.760  10.161  -0.056
  431    HZ2  TRP  57           HZ2      TRP  57   2.156  14.052   2.898
  432    HZ3  TRP  57           HZ3      TRP  57   4.456  10.770   1.625
  433    HH2  TRP  57           HH2      TRP  57   4.165  12.677   3.085
  434    H    ASP  58           HN       ASP  58  -2.802  12.744  -1.232
  435    HA   ASP  58           HA       ASP  58  -3.368  14.922  -2.410
  436    HB2  ASP  58           HB2      ASP  58  -2.289  14.559   0.302
  437    HB3  ASP  58           HB1      ASP  58  -2.336  16.223  -0.277
  438    H    GLY  59           HN       GLY  59  -0.005  15.161  -0.911
  439    HA2  GLY  59           HA2      GLY  59   0.719  17.265  -2.418
  440    HA3  GLY  59           HA1      GLY  59   1.882  16.027  -1.954
  441    H    LYS  60           HN       LYS  60   0.724  13.972  -3.683
  442    HA   LYS  60           HA       LYS  60   0.851  14.377  -6.382
  443    HB2  LYS  60           HB2      LYS  60   3.252  14.145  -6.874
  444    HB3  LYS  60           HB1      LYS  60   2.955  15.621  -5.951
  445    HG2  LYS  60           HG2      LYS  60   3.274  13.794  -3.966
  446    HG3  LYS  60           HG1      LYS  60   4.395  13.190  -5.216
  447    HD2  LYS  60           HD2      LYS  60   4.457  16.104  -4.570
  448    HD3  LYS  60           HD1      LYS  60   5.214  14.971  -3.450
  449    HE2  LYS  60           HE2      LYS  60   6.866  15.796  -5.002
  450    HE3  LYS  60           HE1      LYS  60   6.573  14.088  -5.306
  451    HZ1  LYS  60           HZ1      LYS  60   5.267  16.248  -6.867
  452    HZ2  LYS  60           HZ2      LYS  60   5.344  14.594  -7.241
  453    HZ3  LYS  60           HZ3      LYS  60   6.744  15.545  -7.314
  454    H    ILE  61           HN       ILE  61   2.786  12.332  -7.035
  455    HA   ILE  61           HA       ILE  61   1.608  10.109  -5.593
  456    HB   ILE  61           HB       ILE  61   1.491  10.024  -8.190
  457   HG12  ILE  61          HG12      ILE  61   2.738   7.767  -6.617
  458   HG13  ILE  61          HG11      ILE  61   1.004   8.103  -6.740
  459   HG21  ILE  61          HG21      ILE  61   3.431   9.179  -9.343
  460   HG22  ILE  61          HG22      ILE  61   4.372   9.218  -7.851
  461   HG23  ILE  61          HG23      ILE  61   3.823  10.726  -8.591
  462   HD11  ILE  61          HD11      ILE  61   1.099   7.629  -9.135
  463   HD12  ILE  61          HD12      ILE  61   1.653   6.259  -8.175
  464   HD13  ILE  61          HD13      ILE  61   2.824   7.283  -9.005
  465    H    GLN  62           HN       GLN  62   3.109   9.172  -4.150
  466    HA   GLN  62           HA       GLN  62   5.699  10.433  -4.251
  467    HB2  GLN  62           HB2      GLN  62   4.697  10.716  -1.544
  468    HB3  GLN  62           HB1      GLN  62   5.527  11.868  -2.587
  469    HG2  GLN  62           HG2      GLN  62   3.286  12.257  -3.674
  470    HG3  GLN  62           HG1      GLN  62   2.607  11.395  -2.278
  471   HE21  GLN  62          HE21      GLN  62   1.536  13.359  -1.720
  472   HE22  GLN  62          HE22      GLN  62   2.396  14.632  -0.896
  473    H    CYS  63           HN       CYS  63   3.480   8.392  -2.577
  474    HA   CYS  63           HA       CYS  63   5.561   6.877  -1.181
  475    HB2  CYS  63           HB2      CYS  63   3.478   7.240   0.024
  476    HB3  CYS  63           HB1      CYS  63   2.538   6.654  -1.347
  477    H    GLN  64           HN       GLN  64   6.585   5.382  -2.445
  478    HA   GLN  64           HA       GLN  64   4.778   3.756  -4.094
  479    HB2  GLN  64           HB2      GLN  64   7.687   4.278  -4.702
  480    HB3  GLN  64           HB1      GLN  64   6.526   3.357  -5.663
  481    HG2  GLN  64           HG2      GLN  64   5.179   5.397  -5.866
  482    HG3  GLN  64           HG1      GLN  64   6.495   6.281  -5.097
  483   HE21  GLN  64          HE21      GLN  64   5.358   6.570  -7.780
  484   HE22  GLN  64          HE22      GLN  64   6.669   6.352  -8.879
  485    H    VAL  65           HN       VAL  65   5.010   1.465  -3.561
  486    HA   VAL  65           HA       VAL  65   6.444   1.596  -1.092
  487    HB   VAL  65           HB       VAL  65   4.888   0.553   0.091
  488   HG11  VAL  65          HG11      VAL  65   3.165   1.565  -2.077
  489   HG12  VAL  65          HG12      VAL  65   3.728   2.453  -0.663
  490   HG13  VAL  65          HG13      VAL  65   2.602   1.108  -0.471
  491   HG21  VAL  65          HG21      VAL  65   5.026  -1.544  -0.956
  492   HG22  VAL  65          HG22      VAL  65   3.925  -0.991  -2.221
  493   HG23  VAL  65          HG23      VAL  65   3.361  -1.140  -0.553
  494    H    ASN  66           HN       ASN  66   7.498  -0.435  -0.395
  495    HA   ASN  66           HA       ASN  66   8.127  -2.078  -2.750
  496    HB2  ASN  66           HB2      ASN  66   9.889  -1.284  -0.436
  497    HB3  ASN  66           HB1      ASN  66  10.187  -2.783  -1.321
  498   HD21  ASN  66          HD21      ASN  66  11.852  -0.407  -1.124
  499   HD22  ASN  66          HD22      ASN  66  12.074   0.155  -2.750
  500    H    VAL  67           HN       VAL  67   7.152  -3.947  -2.657
  501    HA   VAL  67           HA       VAL  67   5.892  -4.790  -0.167
  502    HB   VAL  67           HB       VAL  67   5.590  -6.018  -2.898
  503   HG11  VAL  67          HG11      VAL  67   3.590  -7.041  -1.964
  504   HG12  VAL  67          HG12      VAL  67   3.906  -6.267  -0.412
  505   HG13  VAL  67          HG13      VAL  67   5.017  -7.490  -1.029
  506   HG21  VAL  67          HG21      VAL  67   3.471  -4.814  -3.056
  507   HG22  VAL  67          HG22      VAL  67   4.832  -3.699  -2.947
  508   HG23  VAL  67          HG23      VAL  67   3.818  -3.996  -1.534
  509    HA   PRO  68           HA       PRO  68   9.383  -7.566   0.137
  510    HB2  PRO  68           HB2      PRO  68   9.305  -7.870   2.782
  511    HB3  PRO  68           HB1      PRO  68   9.815  -6.338   2.061
  512    HG2  PRO  68           HG2      PRO  68   7.227  -7.060   3.344
  513    HG3  PRO  68           HG1      PRO  68   8.102  -5.521   3.368
  514    HD2  PRO  68           HD2      PRO  68   5.935  -6.186   1.703
  515    HD3  PRO  68           HD1      PRO  68   7.013  -4.790   1.515
  516    H    GLU  69           HN       GLU  69   9.677  -9.786   0.870
  517    HA   GLU  69           HA       GLU  69   7.579 -11.479   0.397
  518    HB2  GLU  69           HB2      GLU  69   9.875 -12.274   2.181
  519    HB3  GLU  69           HB1      GLU  69   8.977 -13.280   1.056
  520    HG2  GLU  69           HG2      GLU  69  11.015 -12.936   0.001
  521    HG3  GLU  69           HG1      GLU  69   9.939 -11.771  -0.772
  522    H    THR  70           HN       THR  70   8.329  -9.861   3.334
  523    HA   THR  70           HA       THR  70   6.925 -11.561   5.086
  524    HB   THR  70           HB       THR  70   7.331  -8.623   5.595
  525    HG1  THR  70           HG1      THR  70   9.307 -10.692   5.556
  526   HG21  THR  70          HG21      THR  70   7.800  -9.391   7.872
  527   HG22  THR  70          HG22      THR  70   7.589 -11.065   7.360
  528   HG23  THR  70          HG23      THR  70   6.219  -9.953   7.331
  529    H    ALA  71           HN       ALA  71   5.643  -9.842   2.629
  530    HA   ALA  71           HA       ALA  71   3.447  -8.516   3.980
  531    HB1  ALA  71           HB1      ALA  71   3.942  -8.974   1.044
  532    HB2  ALA  71           HB2      ALA  71   4.349  -7.519   1.955
  533    HB3  ALA  71           HB3      ALA  71   2.660  -7.976   1.731
  534    H    ILE  72           HN       ILE  72   1.206  -9.052   3.441
  535    HA   ILE  72           HA       ILE  72   0.554 -11.635   2.499
  536    HB   ILE  72           HB       ILE  72   1.320 -11.612   5.170
  537   HG12  ILE  72          HG12      ILE  72   1.286 -13.564   3.714
  538   HG13  ILE  72          HG11      ILE  72   0.455 -13.910   5.224
  539   HG21  ILE  72          HG21      ILE  72  -0.690 -12.107   6.464
  540   HG22  ILE  72          HG22      ILE  72  -1.688 -11.691   5.070
  541   HG23  ILE  72          HG23      ILE  72  -0.696 -10.456   5.844
  542   HD11  ILE  72          HD11      ILE  72  -1.691 -13.658   4.112
  543   HD12  ILE  72          HD12      ILE  72  -0.696 -14.871   3.306
  544   HD13  ILE  72          HD13      ILE  72  -0.873 -13.264   2.602
  545    H    SER  73           HN       SER  73  -1.943 -11.970   2.855
  546    HA   SER  73           HA       SER  73  -3.204  -9.347   2.745
  547    HB2  SER  73           HB2      SER  73  -4.647 -10.208   0.849
  548    HB3  SER  73           HB1      SER  73  -2.970  -9.861   0.431
  549    HG   SER  73           HG       SER  73  -2.527 -12.026   0.403
  550    H    ASP  74           HN       ASP  74  -5.806  -9.847   2.623
  551    HA   ASP  74           HA       ASP  74  -7.581 -10.502   3.860
  552    HB2  ASP  74           HB2      ASP  74  -6.933 -12.715   2.858
  553    HB3  ASP  74           HB1      ASP  74  -6.032 -13.058   4.329
  554    H    GLN  75           HN       GLN  75  -4.961  -9.467   5.166
  555    HA   GLN  75           HA       GLN  75  -5.885  -9.729   7.903
  556    HB2  GLN  75           HB2      GLN  75  -3.036 -10.304   7.064
  557    HB3  GLN  75           HB1      GLN  75  -3.521  -9.988   8.720
  558    HG2  GLN  75           HG2      GLN  75  -4.937 -11.974   8.691
  559    HG3  GLN  75           HG1      GLN  75  -4.462 -12.289   7.022
  560   HE21  GLN  75          HE21      GLN  75  -3.573 -14.281   7.526
  561   HE22  GLN  75          HE22      GLN  75  -2.074 -14.431   8.397
  562    H    GLN  76           HN       GLN  76  -4.612  -8.126   9.300
  563    HA   GLN  76           HA       GLN  76  -4.146  -5.668   7.778
  564    HB2  GLN  76           HB2      GLN  76  -4.098  -4.551   9.997
  565    HB3  GLN  76           HB1      GLN  76  -5.616  -5.368   9.668
  566    HG2  GLN  76           HG2      GLN  76  -4.999  -7.190  11.118
  567    HG3  GLN  76           HG1      GLN  76  -3.404  -6.481  11.376
  568   HE21  GLN  76          HE21      GLN  76  -3.696  -6.348  13.588
  569   HE22  GLN  76          HE22      GLN  76  -4.755  -5.162  14.309
  570    H    LEU  77           HN       LEU  77  -2.105  -4.759   7.599
  571    HA   LEU  77           HA       LEU  77   0.043  -5.836   9.069
  572    HB2  LEU  77           HB2      LEU  77  -0.260  -7.686   7.427
  573    HB3  LEU  77           HB1      LEU  77  -0.024  -6.537   6.124
  574    HG   LEU  77           HG       LEU  77   2.275  -6.110   6.966
  575   HD11  LEU  77          HD11      LEU  77   1.887  -6.736   9.305
  576   HD12  LEU  77          HD12      LEU  77   3.250  -7.610   8.605
  577   HD13  LEU  77          HD13      LEU  77   1.697  -8.420   8.815
  578   HD21  LEU  77          HD21      LEU  77   3.211  -8.223   6.183
  579   HD22  LEU  77          HD22      LEU  77   1.866  -7.706   5.168
  580   HD23  LEU  77          HD23      LEU  77   1.633  -8.991   6.354
  581    H    LEU  78           HN       LEU  78   2.050  -4.649   8.459
  582    HA   LEU  78           HA       LEU  78   1.187  -2.117   7.319
  583    HB2  LEU  78           HB2      LEU  78   2.934  -0.961   8.587
  584    HB3  LEU  78           HB1      LEU  78   1.802  -1.774   9.657
  585    HG   LEU  78           HG       LEU  78   4.473  -2.981   8.937
  586   HD11  LEU  78          HD11      LEU  78   4.866  -0.791   9.935
  587   HD12  LEU  78          HD12      LEU  78   5.317  -2.086  11.044
  588   HD13  LEU  78          HD13      LEU  78   3.805  -1.208  11.281
  589   HD21  LEU  78          HD21      LEU  78   2.558  -3.428  11.227
  590   HD22  LEU  78          HD22      LEU  78   4.128  -4.210  11.038
  591   HD23  LEU  78          HD23      LEU  78   2.841  -4.523   9.874
  592    H    LEU  79           HN       LEU  79   2.471  -1.281   5.665
  593    HA   LEU  79           HA       LEU  79   4.469  -3.180   4.661
  594    HB2  LEU  79           HB2      LEU  79   2.444  -1.623   3.067
  595    HB3  LEU  79           HB1      LEU  79   3.864  -2.351   2.347
  596    HG   LEU  79           HG       LEU  79   2.106  -3.848   1.922
  597   HD11  LEU  79          HD11      LEU  79   4.126  -4.950   2.687
  598   HD12  LEU  79          HD12      LEU  79   2.693  -5.855   3.179
  599   HD13  LEU  79          HD13      LEU  79   3.555  -4.867   4.355
  600   HD21  LEU  79          HD21      LEU  79   1.332  -3.644   4.825
  601   HD22  LEU  79          HD22      LEU  79   0.579  -4.699   3.630
  602   HD23  LEU  79          HD23      LEU  79   0.459  -2.947   3.462
  603    HA   PRO  80           HA       PRO  80   7.190   0.292   4.664
  604    HB2  PRO  80           HB2      PRO  80   9.024  -1.099   2.947
  605    HB3  PRO  80           HB1      PRO  80   9.116  -0.868   4.692
  606    HG2  PRO  80           HG2      PRO  80   8.694  -3.286   3.476
  607    HG3  PRO  80           HG1      PRO  80   8.195  -2.907   5.135
  608    HD2  PRO  80           HD2      PRO  80   6.569  -2.949   2.620
  609    HD3  PRO  80           HD1      PRO  80   6.140  -3.495   4.254
  610    H    CYS  81           HN       CYS  81   6.323   1.898   3.510
  611    HA   CYS  81           HA       CYS  81   6.347   1.932   0.587
  612    HB2  CYS  81           HB2      CYS  81   4.444   2.911   1.463
  613    HB3  CYS  81           HB1      CYS  81   5.332   3.732   2.709
  614    H    THR  82           HN       THR  82   7.616   3.356  -0.602
  615    HA   THR  82           HA       THR  82   9.861   4.560   0.856
  616    HB   THR  82           HB       THR  82  10.139   3.145  -1.810
  617    HG1  THR  82           HG1      THR  82   9.711   1.685  -0.050
  618   HG21  THR  82          HG21      THR  82  12.190   4.225   0.132
  619   HG22  THR  82          HG22      THR  82  11.795   4.896  -1.452
  620   HG23  THR  82          HG23      THR  82  12.556   3.311  -1.331
  621    HA   PRO  83           HA       PRO  83   8.609   8.198  -1.457
  622    HB2  PRO  83           HB2      PRO  83  11.154   9.336  -1.510
  623    HB3  PRO  83           HB1      PRO  83   9.943   9.587  -0.251
  624    HG2  PRO  83           HG2      PRO  83  12.291   7.749  -0.287
  625    HG3  PRO  83           HG1      PRO  83  11.601   8.668   1.063
  626    HD2  PRO  83           HD2      PRO  83  11.191   6.028   0.802
  627    HD3  PRO  83           HD1      PRO  83   9.927   7.106   1.434
  628    H    GLN  84           HN       GLN  84   8.723   8.805  -3.610
  629    HA   GLN  84           HA       GLN  84   9.657   7.025  -5.451
  630    HB2  GLN  84           HB2      GLN  84   7.898   8.808  -5.751
  631    HB3  GLN  84           HB1      GLN  84   9.208   9.957  -6.024
  632    HG2  GLN  84           HG2      GLN  84   9.928   8.693  -7.974
  633    HG3  GLN  84           HG1      GLN  84   8.662   7.500  -7.687
  634   HE21  GLN  84          HE21      GLN  84   9.135   9.178 -10.010
  635   HE22  GLN  84          HE22      GLN  84   7.677  10.100 -10.235
  636    H    LYS  85           HN       LYS  85  11.718   8.756  -3.660
  637    HA   LYS  85           HA       LYS  85  13.764   8.736  -5.700
  638    HB2  LYS  85           HB2      LYS  85  13.351  11.120  -3.878
  639    HB3  LYS  85           HB1      LYS  85  14.722  10.884  -4.954
  640    HG2  LYS  85           HG2      LYS  85  13.230  10.933  -6.882
  641    HG3  LYS  85           HG1      LYS  85  11.849  11.161  -5.811
  642    HD2  LYS  85           HD2      LYS  85  12.827  13.277  -5.029
  643    HD3  LYS  85           HD1      LYS  85  14.177  13.051  -6.144
  644    HE2  LYS  85           HE2      LYS  85  11.271  13.308  -6.911
  645    HE3  LYS  85           HE1      LYS  85  12.490  14.572  -7.062
  646    HZ1  LYS  85           HZ1      LYS  85  12.117  13.444  -9.164
  647    HZ2  LYS  85           HZ2      LYS  85  12.530  11.954  -8.472
  648    HZ3  LYS  85           HZ3      LYS  85  13.698  13.173  -8.616
  Start of MODEL    8
    1    H1   VAL   1           HT1      VAL   1  -6.572 -15.482   1.503
    2    H2   VAL   1           HT2      VAL   1  -5.876 -16.392   2.742
    3    H3   VAL   1           HT3      VAL   1  -7.494 -16.649   2.314
    4    HA   VAL   1           HA       VAL   1  -6.119 -18.405   1.441
    5    HB   VAL   1           HB       VAL   1  -6.731 -18.260  -0.930
    6   HG11  VAL   1          HG11      VAL   1  -9.141 -17.898  -0.671
    7   HG12  VAL   1          HG12      VAL   1  -8.852 -17.123   0.887
    8   HG13  VAL   1          HG13      VAL   1  -8.474 -18.832   0.669
    9   HG21  VAL   1          HG21      VAL   1  -7.446 -15.390  -0.347
   10   HG22  VAL   1          HG22      VAL   1  -7.728 -16.242  -1.866
   11   HG23  VAL   1          HG23      VAL   1  -6.080 -15.935  -1.319
   12    H    LEU   2           HN       LEU   2  -4.584 -18.947  -0.391
   13    HA   LEU   2           HA       LEU   2  -2.122 -17.584   0.039
   14    HB2  LEU   2           HB2      LEU   2  -2.991 -19.802  -1.788
   15    HB3  LEU   2           HB1      LEU   2  -1.403 -19.089  -1.963
   16    HG   LEU   2           HG       LEU   2  -1.235 -21.110  -0.666
   17   HD11  LEU   2          HD11      LEU   2   0.256 -19.287  -0.062
   18   HD12  LEU   2          HD12      LEU   2  -0.162 -20.258   1.350
   19   HD13  LEU   2          HD13      LEU   2  -0.930 -18.690   1.100
   20   HD21  LEU   2          HD21      LEU   2  -3.176 -19.864   1.272
   21   HD22  LEU   2          HD22      LEU   2  -2.360 -21.418   1.457
   22   HD23  LEU   2          HD23      LEU   2  -3.539 -21.190   0.167
   23    H    LYS   3           HN       LYS   3  -4.626 -17.346  -2.343
   24    HA   LYS   3           HA       LYS   3  -3.004 -15.750  -4.167
   25    HB2  LYS   3           HB2      LYS   3  -5.990 -16.175  -4.295
   26    HB3  LYS   3           HB1      LYS   3  -4.918 -15.670  -5.593
   27    HG2  LYS   3           HG2      LYS   3  -5.009 -18.393  -4.305
   28    HG3  LYS   3           HG1      LYS   3  -5.595 -17.964  -5.914
   29    HD2  LYS   3           HD2      LYS   3  -3.383 -17.537  -6.688
   30    HD3  LYS   3           HD1      LYS   3  -2.724 -17.634  -5.053
   31    HE2  LYS   3           HE2      LYS   3  -3.344 -20.007  -4.960
   32    HE3  LYS   3           HE1      LYS   3  -3.980 -19.901  -6.599
   33    HZ1  LYS   3           HZ1      LYS   3  -1.692 -20.840  -6.399
   34    HZ2  LYS   3           HZ2      LYS   3  -1.154 -19.304  -5.911
   35    HZ3  LYS   3           HZ3      LYS   3  -1.823 -19.520  -7.455
   36    H    GLY   4           HN       GLY   4  -2.500 -14.319  -2.354
   37    HA2  GLY   4           HA2      GLY   4  -4.536 -12.894  -1.021
   38    HA3  GLY   4           HA1      GLY   4  -2.810 -12.565  -0.931
   39    H    LYS   5           HN       LYS   5  -5.443 -10.901  -1.468
   40    HA   LYS   5           HA       LYS   5  -4.609  -9.012  -2.801
   41    HB2  LYS   5           HB2      LYS   5  -5.648  -8.992  -5.069
   42    HB3  LYS   5           HB1      LYS   5  -4.298 -10.097  -4.903
   43    HG2  LYS   5           HG2      LYS   5  -5.868 -11.974  -4.734
   44    HG3  LYS   5           HG1      LYS   5  -7.214 -10.842  -4.936
   45    HD2  LYS   5           HD2      LYS   5  -6.319 -10.149  -7.099
   46    HD3  LYS   5           HD1      LYS   5  -4.963 -11.257  -6.899
   47    HE2  LYS   5           HE2      LYS   5  -7.870 -12.032  -7.096
   48    HE3  LYS   5           HE1      LYS   5  -6.668 -12.181  -8.379
   49    HZ1  LYS   5           HZ1      LYS   5  -6.839 -14.284  -7.382
   50    HZ2  LYS   5           HZ2      LYS   5  -6.779 -13.647  -5.819
   51    HZ3  LYS   5           HZ3      LYS   5  -5.391 -13.625  -6.789
   52    H    ARG   6           HN       ARG   6  -6.131  -9.253  -0.753
   53    HA   ARG   6           HA       ARG   6  -7.335  -6.903  -1.329
   54    HB2  ARG   6           HB2      ARG   6  -9.488  -7.179  -1.621
   55    HB3  ARG   6           HB1      ARG   6  -9.227  -8.925  -1.741
   56    HG2  ARG   6           HG2      ARG   6 -10.807  -8.905  -0.104
   57    HG3  ARG   6           HG1      ARG   6  -9.375  -8.735   0.911
   58    HD2  ARG   6           HD2      ARG   6 -11.035  -7.133   1.607
   59    HD3  ARG   6           HD1      ARG   6  -9.678  -6.280   0.864
   60    HE   ARG   6           HE       ARG   6 -11.747  -6.838  -1.028
   61   HH11  ARG   6          HH11      ARG   6 -10.900  -4.674   1.611
   62   HH12  ARG   6          HH12      ARG   6 -11.853  -3.352   0.992
   63   HH21  ARG   6          HH21      ARG   6 -13.011  -5.111  -1.816
   64   HH22  ARG   6          HH22      ARG   6 -13.068  -3.606  -0.946
   65    H    LEU   7           HN       LEU   7  -7.319  -5.707   0.547
   66    HA   LEU   7           HA       LEU   7  -6.469  -7.180   2.813
   67    HB2  LEU   7           HB2      LEU   7  -4.174  -5.985   2.639
   68    HB3  LEU   7           HB1      LEU   7  -4.483  -7.520   1.858
   69    HG   LEU   7           HG       LEU   7  -3.318  -5.829   0.477
   70   HD11  LEU   7          HD11      LEU   7  -5.742  -6.831  -0.730
   71   HD12  LEU   7          HD12      LEU   7  -4.309  -7.789  -0.376
   72   HD13  LEU   7          HD13      LEU   7  -4.211  -6.443  -1.510
   73   HD21  LEU   7          HD21      LEU   7  -5.986  -4.466   0.440
   74   HD22  LEU   7          HD22      LEU   7  -4.621  -4.042  -0.599
   75   HD23  LEU   7          HD23      LEU   7  -4.511  -3.806   1.147
   76    H    PHE   8           HN       PHE   8  -5.046  -5.734   4.254
   77    HA   PHE   8           HA       PHE   8  -6.422  -3.178   4.606
   78    HB2  PHE   8           HB2      PHE   8  -5.626  -5.048   6.865
   79    HB3  PHE   8           HB1      PHE   8  -6.222  -3.401   7.063
   80    HD1  PHE   8           HD2      PHE   8  -8.578  -2.878   6.659
   81    HD2  PHE   8           HD1      PHE   8  -7.111  -6.866   6.376
   82    HE1  PHE   8           HE2      PHE   8 -10.882  -3.731   6.800
   83    HE2  PHE   8           HE1      PHE   8  -9.413  -7.724   6.520
   84    HZ   PHE   8           HZ       PHE   8 -11.301  -6.158   6.733
   85    H    ALA   9           HN       ALA   9  -4.716  -1.983   3.750
   86    HA   ALA   9           HA       ALA   9  -1.999  -2.936   4.305
   87    HB1  ALA   9           HB1      ALA   9  -2.589  -2.632   1.952
   88    HB2  ALA   9           HB2      ALA   9  -1.286  -1.552   2.449
   89    HB3  ALA   9           HB3      ALA   9  -2.926  -0.929   2.261
   90    H    ILE  10           HN       ILE  10  -1.323  -2.096   6.193
   91    HA   ILE  10           HA       ILE  10  -1.874   0.720   6.830
   92    HB   ILE  10           HB       ILE  10  -0.391  -1.305   8.515
   93   HG12  ILE  10          HG12      ILE  10  -3.288  -0.449   8.750
   94   HG13  ILE  10          HG11      ILE  10  -2.751  -1.996   8.106
   95   HG21  ILE  10          HG21      ILE  10   0.123   1.000   9.067
   96   HG22  ILE  10          HG22      ILE  10  -0.865   0.289  10.343
   97   HG23  ILE  10          HG23      ILE  10  -1.595   1.387   9.172
   98   HD11  ILE  10          HD11      ILE  10  -1.795  -2.572  10.270
   99   HD12  ILE  10          HD12      ILE  10  -3.511  -2.186  10.411
  100   HD13  ILE  10          HD13      ILE  10  -2.300  -1.011  10.915
  101    H    LEU  11           HN       LEU  11  -0.302   2.126   6.026
  102    HA   LEU  11           HA       LEU  11   2.321   1.019   5.651
  103    HB2  LEU  11           HB2      LEU  11   1.749   2.939   3.562
  104    HB3  LEU  11           HB1      LEU  11   2.501   1.362   3.457
  105    HG   LEU  11           HG       LEU  11   0.020   0.502   3.634
  106   HD11  LEU  11          HD11      LEU  11  -1.560   1.998   2.540
  107   HD12  LEU  11          HD12      LEU  11  -0.342   3.273   2.512
  108   HD13  LEU  11          HD13      LEU  11  -0.967   2.686   4.052
  109   HD21  LEU  11          HD21      LEU  11   1.509   0.105   1.752
  110   HD22  LEU  11          HD22      LEU  11   1.179   1.724   1.132
  111   HD23  LEU  11          HD23      LEU  11  -0.110   0.522   1.190
  112    H    ARG  12           HN       ARG  12   3.899   2.488   5.888
  113    HA   ARG  12           HA       ARG  12   3.249   5.308   6.502
  114    HB2  ARG  12           HB2      ARG  12   5.005   3.507   8.218
  115    HB3  ARG  12           HB1      ARG  12   4.756   5.230   8.461
  116    HG2  ARG  12           HG2      ARG  12   2.516   3.225   8.569
  117    HG3  ARG  12           HG1      ARG  12   3.463   3.696   9.982
  118    HD2  ARG  12           HD2      ARG  12   1.935   5.617   8.231
  119    HD3  ARG  12           HD1      ARG  12   1.327   4.942   9.743
  120    HE   ARG  12           HE       ARG  12   3.890   6.295   9.905
  121   HH11  ARG  12          HH11      ARG  12   0.407   6.557  10.274
  122   HH12  ARG  12          HH12      ARG  12   0.510   7.921  11.348
  123   HH21  ARG  12          HH21      ARG  12   4.004   8.098  11.293
  124   HH22  ARG  12          HH22      ARG  12   2.538   8.794  11.918
  125    H    LEU  13           HN       LEU  13   5.530   6.550   6.493
  126    HA   LEU  13           HA       LEU  13   6.844   5.496   4.136
  127    HB2  LEU  13           HB2      LEU  13   7.559   8.154   5.307
  128    HB3  LEU  13           HB1      LEU  13   7.809   7.560   3.679
  129    HG   LEU  13           HG       LEU  13   5.419   8.868   4.880
  130   HD11  LEU  13          HD11      LEU  13   6.859   9.137   2.260
  131   HD12  LEU  13          HD12      LEU  13   7.028  10.193   3.663
  132   HD13  LEU  13          HD13      LEU  13   5.497  10.124   2.789
  133   HD21  LEU  13          HD21      LEU  13   3.913   8.182   3.223
  134   HD22  LEU  13          HD22      LEU  13   4.655   6.693   3.842
  135   HD23  LEU  13          HD23      LEU  13   5.192   7.362   2.301
  136    H    ALA  14           HN       ALA  14   9.073   5.412   4.297
  137    HA   ALA  14           HA       ALA  14   9.871   3.783   6.409
  138    HB1  ALA  14           HB1      ALA  14  12.087   3.814   5.428
  139    HB2  ALA  14           HB2      ALA  14  11.662   5.226   4.461
  140    HB3  ALA  14           HB3      ALA  14  10.856   3.684   4.173
  141    H    ASP  15           HN       ASP  15  10.468   7.225   5.905
  142    HA   ASP  15           HA       ASP  15  12.351   7.419   8.076
  143    HB2  ASP  15           HB2      ASP  15  12.228   9.866   7.678
  144    HB3  ASP  15           HB1      ASP  15  12.604   8.946   6.222
  145    H    GLY  16           HN       GLY  16   8.922   7.521   7.816
  146    HA2  GLY  16           HA2      GLY  16   7.950   6.909  10.111
  147    HA3  GLY  16           HA1      GLY  16   8.857   8.324  10.646
  148    H    SER  17           HN       SER  17   7.288   8.099   7.556
  149    HA   SER  17           HA       SER  17   5.578  10.329   8.370
  150    HB2  SER  17           HB2      SER  17   6.671   9.751   5.606
  151    HB3  SER  17           HB1      SER  17   5.734  11.159   6.099
  152    HG   SER  17           HG       SER  17   8.409  10.543   6.555
  153    H    GLN  18           HN       GLN  18   4.061  10.122   5.835
  154    HA   GLN  18           HA       GLN  18   2.620   7.585   6.372
  155    HB2  GLN  18           HB2      GLN  18   1.898  10.254   7.012
  156    HB3  GLN  18           HB1      GLN  18   0.808   9.645   5.764
  157    HG2  GLN  18           HG2      GLN  18   0.063   7.906   7.175
  158    HG3  GLN  18           HG1      GLN  18   1.368   8.176   8.334
  159   HE21  GLN  18          HE21      GLN  18   1.119  11.094   8.140
  160   HE22  GLN  18          HE22      GLN  18  -0.308  11.504   9.051
  161    HA   PRO  19           HA       PRO  19   1.155   8.097   2.107
  162    HB2  PRO  19           HB2      PRO  19  -0.118   5.522   2.516
  163    HB3  PRO  19           HB1      PRO  19   1.119   5.940   1.327
  164    HG2  PRO  19           HG2      PRO  19   1.551   4.249   3.431
  165    HG3  PRO  19           HG1      PRO  19   2.827   5.202   2.653
  166    HD2  PRO  19           HD2      PRO  19   1.352   5.732   5.204
  167    HD3  PRO  19           HD1      PRO  19   3.073   5.968   4.822
  168    HA   PRO  20           HA       PRO  20  -2.123   9.119   4.953
  169    HB2  PRO  20           HB2      PRO  20  -1.851  11.712   4.681
  170    HB3  PRO  20           HB1      PRO  20  -0.468  10.768   5.216
  171    HG2  PRO  20           HG2      PRO  20  -1.002  12.018   2.578
  172    HG3  PRO  20           HG1      PRO  20   0.540  11.733   3.407
  173    HD2  PRO  20           HD2      PRO  20  -0.800  10.064   1.462
  174    HD3  PRO  20           HD1      PRO  20   0.793   9.820   2.226
  175    H    PHE  21           HN       PHE  21  -4.172  10.336   4.890
  176    HA   PHE  21           HA       PHE  21  -6.075   9.118   3.626
  177    HB2  PHE  21           HB2      PHE  21  -6.393  11.010   5.149
  178    HB3  PHE  21           HB1      PHE  21  -6.083  12.082   3.799
  179    HD1  PHE  21           HD2      PHE  21  -8.391   9.493   5.048
  180    HD2  PHE  21           HD1      PHE  21  -7.804  12.689   2.301
  181    HE1  PHE  21           HE2      PHE  21 -10.777   9.413   4.454
  182    HE2  PHE  21           HE1      PHE  21 -10.190  12.616   1.702
  183    HZ   PHE  21           HZ       PHE  21 -11.679  10.973   2.777
  184    H    GLY  22           HN       GLY  22  -5.728   8.297   1.562
  185    HA2  GLY  22           HA2      GLY  22  -6.955   8.604  -0.544
  186    HA3  GLY  22           HA1      GLY  22  -6.299  10.227  -0.549
  187    H    ALA  23           HN       ALA  23  -3.807   8.664   0.729
  188    HA   ALA  23           HA       ALA  23  -2.369   8.197  -1.456
  189    HB1  ALA  23           HB1      ALA  23  -2.162   6.497   1.020
  190    HB2  ALA  23           HB2      ALA  23  -1.405   8.073   0.785
  191    HB3  ALA  23           HB3      ALA  23  -0.919   6.703  -0.213
  192    H    SER  24           HN       SER  24  -3.454   7.431  -3.046
  193    HA   SER  24           HA       SER  24  -4.608   4.935  -3.365
  194    HB2  SER  24           HB2      SER  24  -3.565   7.071  -5.097
  195    HB3  SER  24           HB1      SER  24  -3.661   5.484  -5.860
  196    HG   SER  24           HG       SER  24  -5.735   7.065  -4.728
  197    H    VAL  25           HN       VAL  25  -3.501   3.018  -2.882
  198    HA   VAL  25           HA       VAL  25  -0.728   2.938  -3.863
  199    HB   VAL  25           HB       VAL  25  -0.339   0.873  -2.714
  200   HG11  VAL  25          HG11      VAL  25  -0.320   1.643  -0.411
  201   HG12  VAL  25          HG12      VAL  25  -1.582   2.822  -0.761
  202   HG13  VAL  25          HG13      VAL  25   0.016   3.009  -1.473
  203   HG21  VAL  25          HG21      VAL  25  -1.951  -0.008  -1.029
  204   HG22  VAL  25          HG22      VAL  25  -2.447  -0.212  -2.707
  205   HG23  VAL  25          HG23      VAL  25  -3.177   1.057  -1.724
  206    H    THR  26           HN       THR  26  -0.476   2.207  -5.835
  207    HA   THR  26           HA       THR  26  -1.751  -0.249  -6.456
  208    HB   THR  26           HB       THR  26  -2.905   0.105  -8.347
  209    HG1  THR  26           HG1      THR  26  -1.268   2.254  -8.644
  210   HG21  THR  26          HG21      THR  26  -4.252   0.878  -6.504
  211   HG22  THR  26          HG22      THR  26  -4.615   1.825  -7.949
  212   HG23  THR  26          HG23      THR  26  -3.606   2.511  -6.677
  213    H    SER  27           HN       SER  27  -0.631  -1.354  -8.209
  214    HA   SER  27           HA       SER  27   2.104  -0.254  -8.030
  215    HB2  SER  27           HB2      SER  27   2.849  -2.328  -7.641
  216    HB3  SER  27           HB1      SER  27   1.198  -2.936  -7.686
  217    HG   SER  27           HG       SER  27   2.724  -3.912  -9.200
  218    H    GLU  28           HN       GLU  28   3.331  -0.731 -10.164
  219    HA   GLU  28           HA       GLU  28   2.949   1.250 -11.743
  220    HB2  GLU  28           HB2      GLU  28   3.537  -1.467 -12.881
  221    HB3  GLU  28           HB1      GLU  28   3.954   0.077 -13.615
  222    HG2  GLU  28           HG2      GLU  28   5.325   0.599 -11.614
  223    HG3  GLU  28           HG1      GLU  28   4.993  -1.025 -11.016
  224    H    LYS  29           HN       LYS  29   1.047  -1.703 -12.679
  225    HA   LYS  29           HA       LYS  29  -0.074  -0.091 -14.863
  226    HB2  LYS  29           HB2      LYS  29  -0.383  -3.046 -14.329
  227    HB3  LYS  29           HB1      LYS  29  -0.936  -2.186 -15.759
  228    HG2  LYS  29           HG2      LYS  29   1.443  -1.574 -16.210
  229    HG3  LYS  29           HG1      LYS  29   1.903  -2.647 -14.887
  230    HD2  LYS  29           HD2      LYS  29   0.853  -4.526 -16.045
  231    HD3  LYS  29           HD1      LYS  29   0.380  -3.455 -17.365
  232    HE2  LYS  29           HE2      LYS  29   3.153  -4.279 -16.536
  233    HE3  LYS  29           HE1      LYS  29   2.346  -4.572 -18.077
  234    HZ1  LYS  29           HZ1      LYS  29   3.838  -2.808 -18.443
  235    HZ2  LYS  29           HZ2      LYS  29   3.391  -2.011 -17.022
  236    HZ3  LYS  29           HZ3      LYS  29   2.314  -2.073 -18.329
  237    H    GLY  30           HN       GLY  30  -0.893  -0.837 -11.724
  238    HA2  GLY  30           HA2      GLY  30  -2.903   0.404 -10.907
  239    HA3  GLY  30           HA1      GLY  30  -3.712  -0.341 -12.269
  240    H    ARG  31           HN       ARG  31  -1.211  -1.770 -10.398
  241    HA   ARG  31           HA       ARG  31  -2.746  -4.148  -9.923
  242    HB2  ARG  31           HB2      ARG  31  -0.085  -3.742 -10.265
  243    HB3  ARG  31           HB1      ARG  31  -0.199  -3.537  -8.531
  244    HG2  ARG  31           HG2      ARG  31   0.426  -5.760  -8.874
  245    HG3  ARG  31           HG1      ARG  31  -1.273  -5.792  -8.416
  246    HD2  ARG  31           HD2      ARG  31  -1.939  -6.173 -10.690
  247    HD3  ARG  31           HD1      ARG  31  -0.285  -5.933 -11.263
  248    HE   ARG  31           HE       ARG  31  -0.327  -8.005  -9.344
  249   HH11  ARG  31          HH11      ARG  31  -1.311  -7.386 -12.655
  250   HH12  ARG  31          HH12      ARG  31  -1.158  -9.049 -13.137
  251   HH21  ARG  31          HH21      ARG  31  -0.123 -10.163  -9.968
  252   HH22  ARG  31          HH22      ARG  31  -0.466 -10.638 -11.603
  253    H    GLU  32           HN       GLU  32  -2.941  -4.696  -7.444
  254    HA   GLU  32           HA       GLU  32  -2.693  -4.150  -5.224
  255    HB2  GLU  32           HB2      GLU  32  -0.994  -2.478  -5.826
  256    HB3  GLU  32           HB1      GLU  32  -2.326  -1.366  -5.969
  257    HG2  GLU  32           HG2      GLU  32  -1.123  -1.235  -3.803
  258    HG3  GLU  32           HG1      GLU  32  -2.858  -1.504  -3.671
  259    H    LEU  33           HN       LEU  33  -3.850  -1.066  -5.114
  260    HA   LEU  33           HA       LEU  33  -6.017  -0.232  -4.663
  261    HB2  LEU  33           HB2      LEU  33  -6.803  -3.095  -4.741
  262    HB3  LEU  33           HB1      LEU  33  -7.758  -1.867  -3.941
  263    HG   LEU  33           HG       LEU  33  -8.741  -1.372  -5.885
  264   HD11  LEU  33          HD11      LEU  33  -7.025   0.352  -6.114
  265   HD12  LEU  33          HD12      LEU  33  -7.482  -0.293  -7.690
  266   HD13  LEU  33          HD13      LEU  33  -5.963  -0.796  -6.938
  267   HD21  LEU  33          HD21      LEU  33  -8.220  -2.615  -7.912
  268   HD22  LEU  33          HD22      LEU  33  -8.296  -3.679  -6.505
  269   HD23  LEU  33          HD23      LEU  33  -6.732  -3.198  -7.164
  270    H    GLY  34           HN       GLY  34  -4.618   0.546  -3.199
  271    HA2  GLY  34           HA2      GLY  34  -5.971  -0.016  -0.641
  272    HA3  GLY  34           HA1      GLY  34  -4.212  -0.021  -0.662
  273    H    MET  35           HN       MET  35  -6.932   1.973  -0.184
  274    HA   MET  35           HA       MET  35  -5.244   4.324  -0.658
  275    HB2  MET  35           HB2      MET  35  -8.253   4.436  -0.840
  276    HB3  MET  35           HB1      MET  35  -7.108   5.737  -1.148
  277    HG2  MET  35           HG2      MET  35  -6.373   4.806  -3.122
  278    HG3  MET  35           HG1      MET  35  -6.976   3.199  -2.689
  279    HE1  MET  35           HE1      MET  35  -9.901   4.192  -1.576
  280    HE2  MET  35           HE2      MET  35  -9.712   2.729  -2.541
  281    HE3  MET  35           HE3      MET  35 -10.906   3.941  -3.002
  282    H    VAL  36           HN       VAL  36  -4.925   5.542   1.051
  283    HA   VAL  36           HA       VAL  36  -5.729   4.316   3.566
  284    HB   VAL  36           HB       VAL  36  -3.489   5.022   3.540
  285   HG11  VAL  36          HG11      VAL  36  -3.674   6.498   1.636
  286   HG12  VAL  36          HG12      VAL  36  -2.813   7.273   2.967
  287   HG13  VAL  36          HG13      VAL  36  -4.494   7.696   2.637
  288   HG21  VAL  36          HG21      VAL  36  -5.042   7.152   5.007
  289   HG22  VAL  36          HG22      VAL  36  -3.350   6.730   5.281
  290   HG23  VAL  36          HG23      VAL  36  -4.622   5.562   5.641
  291    H    ALA  37           HN       ALA  37  -7.159   5.094   5.028
  292    HA   ALA  37           HA       ALA  37  -8.387   7.699   4.414
  293    HB1  ALA  37           HB1      ALA  37  -9.993   5.843   4.299
  294    HB2  ALA  37           HB2      ALA  37 -10.383   6.995   5.575
  295    HB3  ALA  37           HB3      ALA  37  -9.638   5.448   5.981
  296    H    ASP  38           HN       ASP  38  -6.298   8.311   5.502
  297    HA   ASP  38           HA       ASP  38  -5.458   9.616   7.176
  298    HB2  ASP  38           HB2      ASP  38  -7.733  10.246   7.832
  299    HB3  ASP  38           HB1      ASP  38  -7.888   8.763   8.763
  300    H    GLU  39           HN       GLU  39  -4.125   9.275   9.022
  301    HA   GLU  39           HA       GLU  39  -2.787   8.172  10.445
  302    HB2  GLU  39           HB2      GLU  39  -4.945   6.064  10.344
  303    HB3  GLU  39           HB1      GLU  39  -3.579   6.051  11.454
  304    HG2  GLU  39           HG2      GLU  39  -5.481   8.356  11.335
  305    HG3  GLU  39           HG1      GLU  39  -5.813   6.926  12.310
  306    H    GLY  40           HN       GLY  40  -3.874   6.201   7.717
  307    HA2  GLY  40           HA2      GLY  40  -1.914   5.874   6.123
  308    HA3  GLY  40           HA1      GLY  40  -1.086   5.253   7.548
  309    H    LEU  41           HN       LEU  41  -4.271   4.334   7.863
  310    HA   LEU  41           HA       LEU  41  -3.883   1.798   6.759
  311    HB2  LEU  41           HB2      LEU  41  -6.457   1.700   7.344
  312    HB3  LEU  41           HB1      LEU  41  -5.217   1.637   8.559
  313    HG   LEU  41           HG       LEU  41  -6.271   4.328   7.916
  314   HD11  LEU  41          HD11      LEU  41  -8.212   3.997   9.374
  315   HD12  LEU  41          HD12      LEU  41  -7.835   2.278   9.485
  316   HD13  LEU  41          HD13      LEU  41  -8.310   2.976   7.939
  317   HD21  LEU  41          HD21      LEU  41  -6.013   4.599  10.329
  318   HD22  LEU  41          HD22      LEU  41  -4.531   3.965   9.614
  319   HD23  LEU  41          HD23      LEU  41  -5.618   2.889  10.489
  320    H    ALA  42           HN       ALA  42  -3.948   1.367   4.682
  321    HA   ALA  42           HA       ALA  42  -5.921   2.709   2.963
  322    HB1  ALA  42           HB1      ALA  42  -3.632   0.993   2.031
  323    HB2  ALA  42           HB2      ALA  42  -3.531   2.743   2.216
  324    HB3  ALA  42           HB3      ALA  42  -4.670   2.045   1.047
  325    H    TRP  43           HN       TRP  43  -7.700   1.605   3.585
  326    HA   TRP  43           HA       TRP  43  -7.791  -1.243   3.674
  327    HB2  TRP  43           HB2      TRP  43  -9.814   0.912   3.837
  328    HB3  TRP  43           HB1      TRP  43 -10.285  -0.776   3.822
  329    HD1  TRP  43           HD1      TRP  43 -11.187   0.143   6.346
  330    HE1  TRP  43           HE1      TRP  43  -9.965  -0.248   8.572
  331    HE3  TRP  43           HE3      TRP  43  -6.439  -0.690   4.610
  332    HZ2  TRP  43           HZ2      TRP  43  -7.457  -0.855   9.356
  333    HZ3  TRP  43           HZ3      TRP  43  -4.673  -1.169   6.243
  334    HH2  TRP  43           HH2      TRP  43  -5.176  -1.240   8.621
  335    H    LEU  44           HN       LEU  44  -7.961  -2.437   1.718
  336    HA   LEU  44           HA       LEU  44  -9.536  -1.699  -0.505
  337    HB2  LEU  44           HB2      LEU  44  -6.906  -0.542  -0.454
  338    HB3  LEU  44           HB1      LEU  44  -7.320  -1.411  -1.927
  339    HG   LEU  44           HG       LEU  44  -8.630   1.037  -0.767
  340   HD11  LEU  44          HD11      LEU  44  -6.868   1.356  -2.436
  341   HD12  LEU  44          HD12      LEU  44  -8.443   1.863  -3.043
  342   HD13  LEU  44          HD13      LEU  44  -7.754   0.323  -3.557
  343   HD21  LEU  44          HD21      LEU  44 -10.320   0.731  -2.568
  344   HD22  LEU  44          HD22      LEU  44 -10.490  -0.313  -1.161
  345   HD23  LEU  44          HD23      LEU  44  -9.791  -0.945  -2.655
  346    H    SER  45           HN       SER  45  -7.413  -3.159  -2.297
  347    HA   SER  45           HA       SER  45  -8.071  -5.559  -1.350
  348    HB2  SER  45           HB2      SER  45  -9.315  -6.344  -3.416
  349    HB3  SER  45           HB1      SER  45 -10.274  -5.301  -2.358
  350    HG   SER  45           HG       SER  45  -8.793  -4.290  -4.557
  351    H    GLY  46           HN       GLY  46  -5.835  -5.452  -1.450
  352    HA2  GLY  46           HA2      GLY  46  -4.677  -4.177  -3.846
  353    HA3  GLY  46           HA1      GLY  46  -3.830  -4.589  -2.359
  354    H    VAL  47           HN       VAL  47  -2.084  -5.531  -3.393
  355    HA   VAL  47           HA       VAL  47  -2.777  -8.106  -4.527
  356    HB   VAL  47           HB       VAL  47  -0.728  -8.089  -5.953
  357   HG11  VAL  47          HG11      VAL  47  -2.972  -7.843  -6.851
  358   HG12  VAL  47          HG12      VAL  47  -1.817  -6.877  -7.766
  359   HG13  VAL  47          HG13      VAL  47  -2.895  -6.098  -6.606
  360   HG21  VAL  47          HG21      VAL  47   0.190  -5.934  -6.625
  361   HG22  VAL  47          HG22      VAL  47   0.430  -6.207  -4.900
  362   HG23  VAL  47          HG23      VAL  47  -0.839  -5.114  -5.454
  363    H    THR  48           HN       THR  48  -0.583  -9.425  -4.682
  364    HA   THR  48           HA       THR  48  -0.077  -9.899  -1.881
  365    HB   THR  48           HB       THR  48  -0.633 -11.787  -3.346
  366    HG1  THR  48           HG1      THR  48   2.021 -12.380  -2.778
  367   HG21  THR  48          HG21      THR  48   0.352 -10.987  -5.425
  368   HG22  THR  48          HG22      THR  48   0.972 -12.586  -5.021
  369   HG23  THR  48          HG23      THR  48   1.967 -11.158  -4.744
  370    HA   PRO  49           HA       PRO  49   3.656  -7.665  -1.411
  371    HB2  PRO  49           HB2      PRO  49   4.483 -10.180  -0.014
  372    HB3  PRO  49           HB1      PRO  49   4.624  -8.499   0.519
  373    HG2  PRO  49           HG2      PRO  49   2.703 -10.019   1.498
  374    HG3  PRO  49           HG1      PRO  49   2.351  -8.340   1.027
  375    HD2  PRO  49           HD2      PRO  49   1.691 -10.889  -0.386
  376    HD3  PRO  49           HD1      PRO  49   0.746  -9.392  -0.251
  377    H    GLY  50           HN       GLY  50   5.786  -7.543  -2.098
  378    HA2  GLY  50           HA2      GLY  50   7.773  -8.753  -2.946
  379    HA3  GLY  50           HA1      GLY  50   6.651  -9.705  -3.917
  380    H    GLU  51           HN       GLU  51   6.569  -6.135  -3.434
  381    HA   GLU  51           HA       GLU  51   7.153  -5.808  -6.215
  382    HB2  GLU  51           HB2      GLU  51   4.387  -5.078  -5.291
  383    HB3  GLU  51           HB1      GLU  51   5.091  -4.659  -6.842
  384    HG2  GLU  51           HG2      GLU  51   5.369  -7.216  -7.108
  385    HG3  GLU  51           HG1      GLU  51   4.192  -7.274  -5.807
  386    H    THR  52           HN       THR  52   6.382  -3.427  -6.833
  387    HA   THR  52           HA       THR  52   6.717  -1.719  -4.502
  388    HB   THR  52           HB       THR  52   7.611   0.023  -6.168
  389    HG1  THR  52           HG1      THR  52   6.964  -1.362  -8.013
  390   HG21  THR  52          HG21      THR  52   9.278  -2.438  -5.620
  391   HG22  THR  52          HG22      THR  52   9.047  -1.079  -4.519
  392   HG23  THR  52          HG23      THR  52   9.901  -0.843  -6.043
  393    H    LEU  53           HN       LEU  53   5.054  -0.490  -4.080
  394    HA   LEU  53           HA       LEU  53   2.795  -0.505  -5.920
  395    HB2  LEU  53           HB2      LEU  53   3.190   0.080  -2.995
  396    HB3  LEU  53           HB1      LEU  53   1.699   0.552  -3.810
  397    HG   LEU  53           HG       LEU  53   2.808  -2.239  -3.599
  398   HD11  LEU  53          HD11      LEU  53   0.350  -0.962  -2.414
  399   HD12  LEU  53          HD12      LEU  53   1.750  -1.572  -1.531
  400   HD13  LEU  53          HD13      LEU  53   0.692  -2.696  -2.401
  401   HD21  LEU  53          HD21      LEU  53   1.863  -2.071  -5.701
  402   HD22  LEU  53          HD22      LEU  53   0.611  -0.961  -5.138
  403   HD23  LEU  53          HD23      LEU  53   0.536  -2.680  -4.705
  404    H    SER  54           HN       SER  54   2.178   1.213  -7.085
  405    HA   SER  54           HA       SER  54   3.588   3.695  -6.737
  406    HB2  SER  54           HB2      SER  54   1.489   3.055  -8.790
  407    HB3  SER  54           HB1      SER  54   2.618   4.416  -8.810
  408    HG   SER  54           HG       SER  54   3.424   2.849 -10.161
  409    H    VAL  55           HN       VAL  55   2.965   5.037  -5.272
  410    HA   VAL  55           HA       VAL  55   0.142   4.922  -4.502
  411    HB   VAL  55           HB       VAL  55   2.577   5.426  -2.825
  412   HG11  VAL  55          HG11      VAL  55   1.095   5.254  -0.894
  413   HG12  VAL  55          HG12      VAL  55  -0.290   5.104  -1.975
  414   HG13  VAL  55          HG13      VAL  55   0.636   6.605  -1.931
  415   HG21  VAL  55          HG21      VAL  55   2.611   3.183  -3.478
  416   HG22  VAL  55          HG22      VAL  55   0.891   2.993  -3.155
  417   HG23  VAL  55          HG23      VAL  55   2.016   3.229  -1.818
  418    H    ASN  56           HN       ASN  56  -1.001   6.654  -4.730
  419    HA   ASN  56           HA       ASN  56   0.266   9.254  -5.384
  420    HB2  ASN  56           HB2      ASN  56  -2.487   8.093  -5.930
  421    HB3  ASN  56           HB1      ASN  56  -2.105   9.770  -6.217
  422   HD21  ASN  56          HD21      ASN  56  -1.715   6.501  -7.251
  423   HD22  ASN  56          HD22      ASN  56  -1.062   6.864  -8.824
  424    H    TRP  57           HN       TRP  57  -0.388  11.137  -4.037
  425    HA   TRP  57           HA       TRP  57  -3.078  10.935  -3.099
  426    HB2  TRP  57           HB2      TRP  57  -2.764  11.167  -0.841
  427    HB3  TRP  57           HB1      TRP  57  -1.543  10.020  -1.346
  428    HD1  TRP  57           HD1      TRP  57  -1.908  13.647  -0.244
  429    HE1  TRP  57           HE1      TRP  57   0.263  14.428   0.868
  430    HE3  TRP  57           HE3      TRP  57   0.933   9.463  -1.002
  431    HZ2  TRP  57           HZ2      TRP  57   2.757  13.403   1.364
  432    HZ3  TRP  57           HZ3      TRP  57   3.221   9.486  -0.077
  433    HH2  TRP  57           HH2      TRP  57   4.117  11.402   1.069
  434    H    ASP  58           HN       ASP  58  -2.919  13.441  -1.431
  435    HA   ASP  58           HA       ASP  58  -3.136  15.561  -2.921
  436    HB2  ASP  58           HB2      ASP  58  -1.497  15.293  -0.427
  437    HB3  ASP  58           HB1      ASP  58  -1.489  16.823  -1.290
  438    H    GLY  59           HN       GLY  59   0.252  14.615  -1.984
  439    HA2  GLY  59           HA2      GLY  59   1.277  16.123  -4.208
  440    HA3  GLY  59           HA1      GLY  59   2.195  15.004  -3.196
  441    H    LYS  60           HN       LYS  60  -0.523  13.551  -4.343
  442    HA   LYS  60           HA       LYS  60  -0.955  11.855  -5.723
  443    HB2  LYS  60           HB2      LYS  60   0.701  13.592  -7.507
  444    HB3  LYS  60           HB1      LYS  60  -0.351  12.282  -8.063
  445    HG2  LYS  60           HG2      LYS  60  -2.010  13.603  -6.365
  446    HG3  LYS  60           HG1      LYS  60  -1.037  14.942  -7.030
  447    HD2  LYS  60           HD2      LYS  60  -3.035  14.590  -8.390
  448    HD3  LYS  60           HD1      LYS  60  -1.575  14.237  -9.313
  449    HE2  LYS  60           HE2      LYS  60  -1.908  11.829  -8.835
  450    HE3  LYS  60           HE1      LYS  60  -3.418  12.226  -8.020
  451    HZ1  LYS  60           HZ1      LYS  60  -4.342  13.013 -10.048
  452    HZ2  LYS  60           HZ2      LYS  60  -3.666  11.492 -10.368
  453    HZ3  LYS  60           HZ3      LYS  60  -2.854  12.900 -10.849
  454    H    ILE  61           HN       ILE  61   1.051  11.074  -7.888
  455    HA   ILE  61           HA       ILE  61   1.850   8.821  -6.289
  456    HB   ILE  61           HB       ILE  61   1.442   9.135  -9.055
  457   HG12  ILE  61          HG12      ILE  61   2.649   6.739  -7.667
  458   HG13  ILE  61          HG11      ILE  61   0.939   7.166  -7.503
  459   HG21  ILE  61          HG21      ILE  61   3.782   9.788  -9.333
  460   HG22  ILE  61          HG22      ILE  61   3.455   8.216 -10.061
  461   HG23  ILE  61          HG23      ILE  61   4.288   8.312  -8.509
  462   HD11  ILE  61          HD11      ILE  61   1.132   5.499  -9.185
  463   HD12  ILE  61          HD12      ILE  61   2.425   6.377 -10.005
  464   HD13  ILE  61          HD13      ILE  61   0.783   7.022 -10.000
  465    H    GLN  62           HN       GLN  62   3.260   9.172  -4.892
  466    HA   GLN  62           HA       GLN  62   5.825  10.320  -5.647
  467    HB2  GLN  62           HB2      GLN  62   5.675  11.552  -3.377
  468    HB3  GLN  62           HB1      GLN  62   4.999  12.247  -4.830
  469    HG2  GLN  62           HG2      GLN  62   2.860  11.995  -4.101
  470    HG3  GLN  62           HG1      GLN  62   3.252  10.709  -2.948
  471   HE21  GLN  62          HE21      GLN  62   1.840  13.216  -2.529
  472   HE22  GLN  62          HE22      GLN  62   2.732  14.089  -1.310
  473    H    CYS  63           HN       CYS  63   3.972   8.510  -3.432
  474    HA   CYS  63           HA       CYS  63   6.396   7.425  -2.157
  475    HB2  CYS  63           HB2      CYS  63   4.231   8.364  -0.911
  476    HB3  CYS  63           HB1      CYS  63   3.658   6.728  -1.261
  477    H    GLN  64           HN       GLN  64   6.849   5.299  -2.507
  478    HA   GLN  64           HA       GLN  64   4.803   3.768  -3.841
  479    HB2  GLN  64           HB2      GLN  64   7.671   3.729  -4.781
  480    HB3  GLN  64           HB1      GLN  64   6.426   2.566  -5.246
  481    HG2  GLN  64           HG2      GLN  64   5.068   4.448  -6.079
  482    HG3  GLN  64           HG1      GLN  64   6.453   5.490  -5.748
  483   HE21  GLN  64          HE21      GLN  64   5.198   2.953  -7.783
  484   HE22  GLN  64          HE22      GLN  64   6.393   3.073  -9.023
  485    H    VAL  65           HN       VAL  65   4.539   1.904  -2.851
  486    HA   VAL  65           HA       VAL  65   6.283   1.690  -0.687
  487    HB   VAL  65           HB       VAL  65   3.582   1.309  -0.943
  488   HG11  VAL  65          HG11      VAL  65   3.069  -0.987  -0.268
  489   HG12  VAL  65          HG12      VAL  65   4.765  -1.423  -0.487
  490   HG13  VAL  65          HG13      VAL  65   3.799  -0.916  -1.873
  491   HG21  VAL  65          HG21      VAL  65   5.315   0.330   1.304
  492   HG22  VAL  65          HG22      VAL  65   3.585   0.660   1.402
  493   HG23  VAL  65          HG23      VAL  65   4.719   1.975   1.083
  494    H    ASN  66           HN       ASN  66   7.657  -0.021  -0.130
  495    HA   ASN  66           HA       ASN  66   8.210  -1.818  -2.402
  496    HB2  ASN  66           HB2      ASN  66  10.179  -0.536  -1.584
  497    HB3  ASN  66           HB1      ASN  66   9.953  -1.243   0.019
  498   HD21  ASN  66          HD21      ASN  66  11.944  -2.256   0.025
  499   HD22  ASN  66          HD22      ASN  66  12.307  -3.609  -0.993
  500    H    VAL  67           HN       VAL  67   7.025  -3.606  -2.186
  501    HA   VAL  67           HA       VAL  67   6.382  -4.467   0.514
  502    HB   VAL  67           HB       VAL  67   4.452  -3.919  -0.971
  503   HG11  VAL  67          HG11      VAL  67   5.211  -6.433  -2.386
  504   HG12  VAL  67          HG12      VAL  67   5.203  -4.800  -3.053
  505   HG13  VAL  67          HG13      VAL  67   3.689  -5.562  -2.566
  506   HG21  VAL  67          HG21      VAL  67   3.111  -5.823  -0.237
  507   HG22  VAL  67          HG22      VAL  67   4.181  -5.235   1.037
  508   HG23  VAL  67          HG23      VAL  67   4.590  -6.702   0.148
  509    HA   PRO  68           HA       PRO  68   9.324  -7.650  -0.380
  510    HB2  PRO  68           HB2      PRO  68   9.217  -8.413   2.381
  511    HB3  PRO  68           HB1      PRO  68  10.467  -7.471   1.568
  512    HG2  PRO  68           HG2      PRO  68   8.765  -6.481   3.501
  513    HG3  PRO  68           HG1      PRO  68   9.617  -5.493   2.304
  514    HD2  PRO  68           HD2      PRO  68   6.782  -6.442   2.307
  515    HD3  PRO  68           HD1      PRO  68   7.451  -4.881   1.783
  516    H    GLU  69           HN       GLU  69   9.364  -9.963  -0.329
  517    HA   GLU  69           HA       GLU  69   6.717 -11.056  -0.696
  518    HB2  GLU  69           HB2      GLU  69   9.438 -12.360  -0.915
  519    HB3  GLU  69           HB1      GLU  69   7.920 -13.037  -1.495
  520    HG2  GLU  69           HG2      GLU  69   7.753 -11.516  -3.231
  521    HG3  GLU  69           HG1      GLU  69   8.852 -10.369  -2.464
  522    H    THR  70           HN       THR  70   8.087 -10.439   2.055
  523    HA   THR  70           HA       THR  70   8.334 -12.925   3.376
  524    HB   THR  70           HB       THR  70   7.787 -10.294   4.739
  525    HG1  THR  70           HG1      THR  70  10.037 -11.154   3.267
  526   HG21  THR  70          HG21      THR  70   9.464 -12.699   5.472
  527   HG22  THR  70          HG22      THR  70   7.919 -12.241   6.190
  528   HG23  THR  70          HG23      THR  70   9.335 -11.218   6.422
  529    H    ALA  71           HN       ALA  71   5.590 -10.732   2.962
  530    HA   ALA  71           HA       ALA  71   4.117 -12.278   4.988
  531    HB1  ALA  71           HB1      ALA  71   2.718 -10.329   5.389
  532    HB2  ALA  71           HB2      ALA  71   3.634  -9.410   4.196
  533    HB3  ALA  71           HB3      ALA  71   4.415  -9.949   5.682
  534    H    ILE  72           HN       ILE  72   1.557 -11.398   4.343
  535    HA   ILE  72           HA       ILE  72   1.142 -12.221   1.635
  536    HB   ILE  72           HB       ILE  72   1.335 -14.369   2.913
  537   HG12  ILE  72          HG12      ILE  72  -1.393 -13.795   1.723
  538   HG13  ILE  72          HG11      ILE  72   0.047 -14.245   0.814
  539   HG21  ILE  72          HG21      ILE  72  -0.559 -15.021   4.357
  540   HG22  ILE  72          HG22      ILE  72  -1.171 -13.369   4.257
  541   HG23  ILE  72          HG23      ILE  72   0.386 -13.688   5.021
  542   HD11  ILE  72          HD11      ILE  72   0.070 -16.417   1.904
  543   HD12  ILE  72          HD12      ILE  72  -1.478 -16.124   1.110
  544   HD13  ILE  72          HD13      ILE  72  -1.341 -15.963   2.861
  545    H    SER  73           HN       SER  73  -1.210 -12.084   1.084
  546    HA   SER  73           HA       SER  73  -2.209  -9.608   2.272
  547    HB2  SER  73           HB2      SER  73  -1.887  -9.581  -0.118
  548    HB3  SER  73           HB1      SER  73  -2.808 -11.068  -0.304
  549    HG   SER  73           HG       SER  73  -3.708  -8.658  -0.475
  550    H    ASP  74           HN       ASP  74  -4.968  -9.828   1.629
  551    HA   ASP  74           HA       ASP  74  -6.943 -10.722   2.289
  552    HB2  ASP  74           HB2      ASP  74  -6.114 -12.911   1.494
  553    HB3  ASP  74           HB1      ASP  74  -5.374 -13.195   3.063
  554    H    GLN  75           HN       GLN  75  -4.712  -9.522   4.035
  555    HA   GLN  75           HA       GLN  75  -6.236  -9.487   6.449
  556    HB2  GLN  75           HB2      GLN  75  -4.473 -10.199   7.963
  557    HB3  GLN  75           HB1      GLN  75  -4.846 -11.493   6.834
  558    HG2  GLN  75           HG2      GLN  75  -2.869 -10.946   5.527
  559    HG3  GLN  75           HG1      GLN  75  -2.505  -9.609   6.617
  560   HE21  GLN  75          HE21      GLN  75  -0.544 -10.390   7.256
  561   HE22  GLN  75          HE22      GLN  75  -0.361 -11.801   8.260
  562    H    GLN  76           HN       GLN  76  -4.418  -8.288   8.135
  563    HA   GLN  76           HA       GLN  76  -3.999  -5.738   6.760
  564    HB2  GLN  76           HB2      GLN  76  -3.638  -4.804   9.004
  565    HB3  GLN  76           HB1      GLN  76  -5.191  -5.617   8.890
  566    HG2  GLN  76           HG2      GLN  76  -4.195  -7.591   9.991
  567    HG3  GLN  76           HG1      GLN  76  -2.694  -6.685  10.179
  568   HE21  GLN  76          HE21      GLN  76  -2.769  -6.805  12.412
  569   HE22  GLN  76          HE22      GLN  76  -3.896  -5.877  13.350
  570    H    LEU  77           HN       LEU  77  -1.887  -4.724   6.811
  571    HA   LEU  77           HA       LEU  77   0.315  -6.417   7.513
  572    HB2  LEU  77           HB2      LEU  77  -0.058  -5.491   4.654
  573    HB3  LEU  77           HB1      LEU  77   1.428  -6.151   5.301
  574    HG   LEU  77           HG       LEU  77  -1.173  -7.664   5.068
  575   HD11  LEU  77          HD11      LEU  77  -0.044  -8.866   3.255
  576   HD12  LEU  77          HD12      LEU  77   1.332  -7.771   3.393
  577   HD13  LEU  77          HD13      LEU  77  -0.240  -7.153   2.881
  578   HD21  LEU  77          HD21      LEU  77   0.223  -8.451   6.902
  579   HD22  LEU  77          HD22      LEU  77   1.607  -8.566   5.814
  580   HD23  LEU  77          HD23      LEU  77   0.210  -9.618   5.580
  581    H    LEU  78           HN       LEU  78   2.357  -5.066   7.273
  582    HA   LEU  78           HA       LEU  78   1.561  -2.290   7.284
  583    HB2  LEU  78           HB2      LEU  78   3.268  -1.645   8.925
  584    HB3  LEU  78           HB1      LEU  78   2.052  -2.699   9.610
  585    HG   LEU  78           HG       LEU  78   4.103  -3.282  10.600
  586   HD11  LEU  78          HD11      LEU  78   3.573  -5.320   8.460
  587   HD12  LEU  78          HD12      LEU  78   2.780  -5.214  10.033
  588   HD13  LEU  78          HD13      LEU  78   4.502  -5.587   9.936
  589   HD21  LEU  78          HD21      LEU  78   6.129  -3.864   9.377
  590   HD22  LEU  78          HD22      LEU  78   5.621  -2.205   9.057
  591   HD23  LEU  78          HD23      LEU  78   5.325  -3.464   7.859
  592    H    LEU  79           HN       LEU  79   2.696  -1.028   5.928
  593    HA   LEU  79           HA       LEU  79   4.822  -2.411   4.425
  594    HB2  LEU  79           HB2      LEU  79   2.642  -0.577   3.437
  595    HB3  LEU  79           HB1      LEU  79   3.966  -1.140   2.441
  596    HG   LEU  79           HG       LEU  79   2.191  -2.519   1.854
  597   HD11  LEU  79          HD11      LEU  79   2.763  -4.746   2.678
  598   HD12  LEU  79          HD12      LEU  79   3.721  -4.019   3.969
  599   HD13  LEU  79          HD13      LEU  79   4.200  -3.799   2.286
  600   HD21  LEU  79          HD21      LEU  79   1.537  -2.841   4.780
  601   HD22  LEU  79          HD22      LEU  79   0.704  -3.639   3.448
  602   HD23  LEU  79          HD23      LEU  79   0.634  -1.884   3.604
  603    HA   PRO  80           HA       PRO  80   7.290   1.261   4.903
  604    HB2  PRO  80           HB2      PRO  80   9.437   0.373   3.519
  605    HB3  PRO  80           HB1      PRO  80   9.033  -0.213   5.134
  606    HG2  PRO  80           HG2      PRO  80   8.794  -1.571   2.535
  607    HG3  PRO  80           HG1      PRO  80   8.898  -2.262   4.165
  608    HD2  PRO  80           HD2      PRO  80   6.554  -1.879   2.552
  609    HD3  PRO  80           HD1      PRO  80   6.659  -2.556   4.187
  610    H    CYS  81           HN       CYS  81   6.596   2.953   3.845
  611    HA   CYS  81           HA       CYS  81   6.410   3.069   0.912
  612    HB2  CYS  81           HB2      CYS  81   4.721   3.900   2.798
  613    HB3  CYS  81           HB1      CYS  81   5.735   5.336   2.710
  614    H    THR  82           HN       THR  82   7.916   3.971  -0.299
  615    HA   THR  82           HA       THR  82   9.708   5.914   0.938
  616    HB   THR  82           HB       THR  82  10.977   3.847   0.982
  617    HG1  THR  82           HG1      THR  82  11.954   5.370  -1.215
  618   HG21  THR  82          HG21      THR  82  10.471   3.695  -1.992
  619   HG22  THR  82          HG22      THR  82   9.810   2.614  -0.765
  620   HG23  THR  82          HG23      THR  82  11.545   2.635  -1.075
  621    HA   PRO  83           HA       PRO  83   8.954   7.841  -3.042
  622    HB2  PRO  83           HB2      PRO  83  10.267  10.193  -2.175
  623    HB3  PRO  83           HB1      PRO  83   8.530   9.889  -2.157
  624    HG2  PRO  83           HG2      PRO  83  10.173  10.197   0.091
  625    HG3  PRO  83           HG1      PRO  83   8.524   9.549   0.083
  626    HD2  PRO  83           HD2      PRO  83  11.134   8.105   0.165
  627    HD3  PRO  83           HD1      PRO  83   9.576   7.679   0.910
  628    H    GLN  84           HN       GLN  84  10.339   6.819  -4.437
  629    HA   GLN  84           HA       GLN  84  13.005   7.857  -4.729
  630    HB2  GLN  84           HB2      GLN  84  13.334   6.059  -3.055
  631    HB3  GLN  84           HB1      GLN  84  12.606   4.902  -4.166
  632    HG2  GLN  84           HG2      GLN  84  14.985   4.656  -4.222
  633    HG3  GLN  84           HG1      GLN  84  14.444   5.327  -5.758
  634   HE21  GLN  84          HE21      GLN  84  17.071   5.399  -4.535
  635   HE22  GLN  84          HE22      GLN  84  17.488   7.082  -4.372
  636    H    LYS  85           HN       LYS  85  11.415   8.444  -6.554
  637    HA   LYS  85           HA       LYS  85  11.666   6.487  -8.658
  638    HB2  LYS  85           HB2      LYS  85   9.379   6.832  -9.481
  639    HB3  LYS  85           HB1      LYS  85   9.392   6.076  -7.893
  640    HG2  LYS  85           HG2      LYS  85   8.569   7.956  -6.842
  641    HG3  LYS  85           HG1      LYS  85   9.109   9.037  -8.129
  642    HD2  LYS  85           HD2      LYS  85   7.013   6.952  -8.627
  643    HD3  LYS  85           HD1      LYS  85   6.591   8.513  -7.924
  644    HE2  LYS  85           HE2      LYS  85   6.277   8.536 -10.341
  645    HE3  LYS  85           HE1      LYS  85   7.553   9.654  -9.863
  646    HZ1  LYS  85           HZ1      LYS  85   8.069   8.303 -11.860
  647    HZ2  LYS  85           HZ2      LYS  85   8.054   6.910 -10.894
  648    HZ3  LYS  85           HZ3      LYS  85   9.205   8.127 -10.614
  Start of MODEL    9
    1    H1   VAL   1           HT1      VAL   1  -9.034 -21.691   2.673
    2    H2   VAL   1           HT2      VAL   1  -9.011 -21.473   0.994
    3    H3   VAL   1           HT3      VAL   1 -10.479 -21.704   1.789
    4    HA   VAL   1           HA       VAL   1 -10.233 -19.613   2.948
    5    HB   VAL   1           HB       VAL   1  -7.951 -18.878   1.154
    6   HG11  VAL   1          HG11      VAL   1  -7.410 -17.383   3.049
    7   HG12  VAL   1          HG12      VAL   1  -8.816 -18.010   3.910
    8   HG13  VAL   1          HG13      VAL   1  -9.029 -17.121   2.401
    9   HG21  VAL   1          HG21      VAL   1  -7.589 -20.287   3.798
   10   HG22  VAL   1          HG22      VAL   1  -6.309 -19.557   2.827
   11   HG23  VAL   1          HG23      VAL   1  -7.197 -20.952   2.212
   12    H    LEU   2           HN       LEU   2 -10.111 -17.332   1.418
   13    HA   LEU   2           HA       LEU   2 -12.257 -17.945  -0.459
   14    HB2  LEU   2           HB2      LEU   2 -12.437 -16.083   1.205
   15    HB3  LEU   2           HB1      LEU   2 -11.154 -15.255   0.346
   16    HG   LEU   2           HG       LEU   2 -12.574 -15.148  -1.666
   17   HD11  LEU   2          HD11      LEU   2 -14.982 -15.688  -1.440
   18   HD12  LEU   2          HD12      LEU   2 -14.634 -16.441   0.116
   19   HD13  LEU   2          HD13      LEU   2 -13.937 -17.105  -1.361
   20   HD21  LEU   2          HD21      LEU   2 -12.571 -13.281  -0.122
   21   HD22  LEU   2          HD22      LEU   2 -13.834 -14.047   0.842
   22   HD23  LEU   2          HD23      LEU   2 -14.184 -13.506  -0.800
   23    H    LYS   3           HN       LYS   3  -8.908 -17.112  -0.468
   24    HA   LYS   3           HA       LYS   3  -7.414 -17.648  -2.173
   25    HB2  LYS   3           HB2      LYS   3  -9.752 -17.422  -4.072
   26    HB3  LYS   3           HB1      LYS   3  -8.095 -17.784  -4.528
   27    HG2  LYS   3           HG2      LYS   3  -8.172 -19.890  -3.402
   28    HG3  LYS   3           HG1      LYS   3  -9.743 -19.509  -2.694
   29    HD2  LYS   3           HD2      LYS   3  -9.326 -19.601  -5.668
   30    HD3  LYS   3           HD1      LYS   3  -9.696 -21.053  -4.741
   31    HE2  LYS   3           HE2      LYS   3 -11.722 -20.105  -5.702
   32    HE3  LYS   3           HE1      LYS   3 -11.768 -20.023  -3.945
   33    HZ1  LYS   3           HZ1      LYS   3 -11.009 -17.741  -5.699
   34    HZ2  LYS   3           HZ2      LYS   3 -11.262 -17.700  -4.023
   35    HZ3  LYS   3           HZ3      LYS   3 -12.562 -17.987  -5.066
   36    H    GLY   4           HN       GLY   4  -6.690 -15.677  -1.338
   37    HA2  GLY   4           HA2      GLY   4  -6.013 -13.690  -3.162
   38    HA3  GLY   4           HA1      GLY   4  -7.537 -13.221  -2.396
   39    H    LYS   5           HN       LYS   5  -5.334 -11.650  -2.001
   40    HA   LYS   5           HA       LYS   5  -5.221 -12.101   0.828
   41    HB2  LYS   5           HB2      LYS   5  -3.123 -10.526  -0.694
   42    HB3  LYS   5           HB1      LYS   5  -3.128 -10.921   1.018
   43    HG2  LYS   5           HG2      LYS   5  -2.696 -13.235   0.542
   44    HG3  LYS   5           HG1      LYS   5  -2.854 -12.947  -1.191
   45    HD2  LYS   5           HD2      LYS   5  -0.884 -11.566  -1.193
   46    HD3  LYS   5           HD1      LYS   5  -0.773 -11.650   0.568
   47    HE2  LYS   5           HE2      LYS   5  -0.592 -14.043  -1.258
   48    HE3  LYS   5           HE1      LYS   5   0.806 -13.161  -0.643
   49    HZ1  LYS   5           HZ1      LYS   5   0.197 -15.173   0.655
   50    HZ2  LYS   5           HZ2      LYS   5  -1.246 -14.407   1.111
   51    HZ3  LYS   5           HZ3      LYS   5   0.251 -13.751   1.573
   52    H    ARG   6           HN       ARG   6  -7.218 -10.941   0.811
   53    HA   ARG   6           HA       ARG   6  -7.099  -8.267  -0.308
   54    HB2  ARG   6           HB2      ARG   6  -9.305  -7.988  -0.349
   55    HB3  ARG   6           HB1      ARG   6  -9.378  -9.757  -0.395
   56    HG2  ARG   6           HG2      ARG   6 -10.852  -9.305   1.321
   57    HG3  ARG   6           HG1      ARG   6  -9.348  -9.519   2.219
   58    HD2  ARG   6           HD2      ARG   6 -10.359  -7.568   3.103
   59    HD3  ARG   6           HD1      ARG   6  -9.029  -7.029   2.084
   60    HE   ARG   6           HE       ARG   6 -11.483  -7.082   0.642
   61   HH11  ARG   6          HH11      ARG   6  -9.656  -5.230   2.983
   62   HH12  ARG   6          HH12      ARG   6 -10.377  -3.717   2.552
   63   HH21  ARG   6          HH21      ARG   6 -12.448  -5.069   0.064
   64   HH22  ARG   6          HH22      ARG   6 -11.966  -3.625   0.890
   65    H    LEU   7           HN       LEU   7  -7.026  -6.654   1.290
   66    HA   LEU   7           HA       LEU   7  -6.278  -7.873   3.708
   67    HB2  LEU   7           HB2      LEU   7  -3.928  -7.486   3.299
   68    HB3  LEU   7           HB1      LEU   7  -4.696  -8.624   2.217
   69    HG   LEU   7           HG       LEU   7  -3.299  -7.422   0.853
   70   HD11  LEU   7          HD11      LEU   7  -5.840  -5.930   0.566
   71   HD12  LEU   7          HD12      LEU   7  -5.460  -7.496  -0.147
   72   HD13  LEU   7          HD13      LEU   7  -4.550  -6.065  -0.626
   73   HD21  LEU   7          HD21      LEU   7  -4.357  -4.886   2.091
   74   HD22  LEU   7          HD22      LEU   7  -3.037  -5.006   0.911
   75   HD23  LEU   7          HD23      LEU   7  -2.818  -5.646   2.545
   76    H    PHE   8           HN       PHE   8  -4.387  -6.351   4.726
   77    HA   PHE   8           HA       PHE   8  -5.562  -3.662   4.903
   78    HB2  PHE   8           HB2      PHE   8  -6.424  -4.857   6.833
   79    HB3  PHE   8           HB1      PHE   8  -4.804  -5.421   7.247
   80    HD1  PHE   8           HD2      PHE   8  -5.517  -1.981   6.132
   81    HD2  PHE   8           HD1      PHE   8  -4.799  -4.541   9.454
   82    HE1  PHE   8           HE2      PHE   8  -5.208  -0.018   7.578
   83    HE2  PHE   8           HE1      PHE   8  -4.489  -2.578  10.904
   84    HZ   PHE   8           HZ       PHE   8  -4.694  -0.313   9.966
   85    H    ALA   9           HN       ALA   9  -3.973  -2.326   4.243
   86    HA   ALA   9           HA       ALA   9  -1.203  -3.144   4.800
   87    HB1  ALA   9           HB1      ALA   9  -2.171  -1.318   2.606
   88    HB2  ALA   9           HB2      ALA   9  -1.657  -2.993   2.397
   89    HB3  ALA   9           HB3      ALA   9  -0.496  -1.773   2.924
   90    H    ILE  10           HN       ILE  10  -0.138  -1.918   6.210
   91    HA   ILE  10           HA       ILE  10  -1.248   0.702   6.906
   92    HB   ILE  10           HB       ILE  10   0.955  -0.884   8.251
   93   HG12  ILE  10          HG12      ILE  10  -0.833  -0.893  10.131
   94   HG13  ILE  10          HG11      ILE  10  -1.972  -0.512   8.846
   95   HG21  ILE  10          HG21      ILE  10  -0.371   1.678   9.126
   96   HG22  ILE  10          HG22      ILE  10   1.284   1.513   8.539
   97   HG23  ILE  10          HG23      ILE  10   0.808   0.752  10.057
   98   HD11  ILE  10          HD11      ILE  10  -0.203  -2.942   8.964
   99   HD12  ILE  10          HD12      ILE  10  -1.368  -2.565   7.693
  100   HD13  ILE  10          HD13      ILE  10  -1.926  -2.890   9.335
  101    H    LEU  11           HN       LEU  11  -0.477   2.368   5.668
  102    HA   LEU  11           HA       LEU  11   2.054   1.956   4.256
  103    HB2  LEU  11           HB2      LEU  11  -0.187   3.907   3.703
  104    HB3  LEU  11           HB1      LEU  11   1.334   3.871   2.838
  105    HG   LEU  11           HG       LEU  11  -0.199   2.802   1.428
  106   HD11  LEU  11          HD11      LEU  11   1.884   1.596   1.581
  107   HD12  LEU  11          HD12      LEU  11   0.548   0.472   1.334
  108   HD13  LEU  11          HD13      LEU  11   1.267   0.650   2.935
  109   HD21  LEU  11          HD21      LEU  11  -1.681   0.980   2.145
  110   HD22  LEU  11          HD22      LEU  11  -2.019   2.492   2.986
  111   HD23  LEU  11          HD23      LEU  11  -1.133   1.207   3.806
  112    H    ARG  12           HN       ARG  12   3.610   2.658   5.541
  113    HA   ARG  12           HA       ARG  12   3.353   5.418   6.589
  114    HB2  ARG  12           HB2      ARG  12   4.911   3.116   7.799
  115    HB3  ARG  12           HB1      ARG  12   4.792   4.741   8.461
  116    HG2  ARG  12           HG2      ARG  12   2.449   2.884   8.079
  117    HG3  ARG  12           HG1      ARG  12   3.331   3.090   9.594
  118    HD2  ARG  12           HD2      ARG  12   2.603   5.295   9.852
  119    HD3  ARG  12           HD1      ARG  12   2.140   5.436   8.158
  120    HE   ARG  12           HE       ARG  12   0.457   3.545   9.030
  121   HH11  ARG  12          HH11      ARG  12   1.329   6.647  10.392
  122   HH12  ARG  12          HH12      ARG  12  -0.248   6.958  11.039
  123   HH21  ARG  12          HH21      ARG  12  -1.637   3.947   9.876
  124   HH22  ARG  12          HH22      ARG  12  -1.944   5.417  10.738
  125    H    LEU  13           HN       LEU  13   5.386   6.748   6.508
  126    HA   LEU  13           HA       LEU  13   6.948   5.872   4.219
  127    HB2  LEU  13           HB2      LEU  13   7.351   8.528   5.530
  128    HB3  LEU  13           HB1      LEU  13   7.711   8.043   3.886
  129    HG   LEU  13           HG       LEU  13   5.137   8.954   5.071
  130   HD11  LEU  13          HD11      LEU  13   6.630  10.589   4.083
  131   HD12  LEU  13          HD12      LEU  13   5.147  10.437   3.139
  132   HD13  LEU  13          HD13      LEU  13   6.636   9.679   2.571
  133   HD21  LEU  13          HD21      LEU  13   5.318   7.564   2.414
  134   HD22  LEU  13          HD22      LEU  13   3.882   8.285   3.148
  135   HD23  LEU  13          HD23      LEU  13   4.622   6.858   3.873
  136    H    ALA  14           HN       ALA  14   9.031   5.631   4.488
  137    HA   ALA  14           HA       ALA  14   9.929   4.492   6.892
  138    HB1  ALA  14           HB1      ALA  14  12.087   4.227   5.797
  139    HB2  ALA  14           HB2      ALA  14  11.597   5.355   4.533
  140    HB3  ALA  14           HB3      ALA  14  10.772   3.806   4.701
  141    H    ASP  15           HN       ASP  15   9.796   7.699   5.976
  142    HA   ASP  15           HA       ASP  15  12.083   8.697   7.430
  143    HB2  ASP  15           HB2      ASP  15  11.518  10.072   5.632
  144    HB3  ASP  15           HB1      ASP  15   9.785   9.895   5.913
  145    H    GLY  16           HN       GLY  16   8.711   8.042   7.975
  146    HA2  GLY  16           HA2      GLY  16   8.000   7.738  10.321
  147    HA3  GLY  16           HA1      GLY  16   8.940   9.187  10.692
  148    H    SER  17           HN       SER  17   7.996  10.267   8.019
  149    HA   SER  17           HA       SER  17   5.544  11.397   8.852
  150    HB2  SER  17           HB2      SER  17   5.674  12.416   6.497
  151    HB3  SER  17           HB1      SER  17   7.003  12.767   7.601
  152    HG   SER  17           HG       SER  17   8.337  11.615   6.441
  153    H    GLN  18           HN       GLN  18   3.580  11.444   7.510
  154    HA   GLN  18           HA       GLN  18   3.246   9.524   5.428
  155    HB2  GLN  18           HB2      GLN  18   1.298   9.224   7.689
  156    HB3  GLN  18           HB1      GLN  18   1.390   8.350   6.167
  157    HG2  GLN  18           HG2      GLN  18   2.200   6.792   7.613
  158    HG3  GLN  18           HG1      GLN  18   3.697   7.570   7.108
  159   HE21  GLN  18          HE21      GLN  18   1.443   9.132   9.267
  160   HE22  GLN  18          HE22      GLN  18   2.443   9.034  10.684
  161    HA   PRO  19           HA       PRO  19  -1.231  10.153   6.286
  162    HB2  PRO  19           HB2      PRO  19  -1.567  13.068   6.425
  163    HB3  PRO  19           HB1      PRO  19  -2.382  11.794   7.332
  164    HG2  PRO  19           HG2      PRO  19  -0.116  13.402   8.122
  165    HG3  PRO  19           HG1      PRO  19  -1.022  12.223   9.082
  166    HD2  PRO  19           HD2      PRO  19   1.577  11.871   8.301
  167    HD3  PRO  19           HD1      PRO  19   0.454  10.530   8.614
  168    HA   PRO  20           HA       PRO  20  -1.615  11.492   2.107
  169    HB2  PRO  20           HB2      PRO  20  -1.079   9.177   0.897
  170    HB3  PRO  20           HB1      PRO  20   0.191  10.262   1.465
  171    HG2  PRO  20           HG2      PRO  20  -0.569   7.631   2.500
  172    HG3  PRO  20           HG1      PRO  20   0.919   8.551   2.776
  173    HD2  PRO  20           HD2      PRO  20  -1.510   8.413   4.414
  174    HD3  PRO  20           HD1      PRO  20   0.108   9.014   4.850
  175    H    PHE  21           HN       PHE  21  -3.890  11.600   2.071
  176    HA   PHE  21           HA       PHE  21  -5.228   9.130   2.882
  177    HB2  PHE  21           HB2      PHE  21  -6.149  10.319   4.495
  178    HB3  PHE  21           HB1      PHE  21  -5.418  11.778   3.857
  179    HD1  PHE  21           HD2      PHE  21  -8.387   9.592   3.729
  180    HD2  PHE  21           HD1      PHE  21  -6.770  13.401   2.726
  181    HE1  PHE  21           HE2      PHE  21 -10.643  10.400   3.179
  182    HE2  PHE  21           HE1      PHE  21  -9.025  14.217   2.180
  183    HZ   PHE  21           HZ       PHE  21 -10.965  12.714   2.403
  184    H    GLY  22           HN       GLY  22  -5.854   8.177   1.179
  185    HA2  GLY  22           HA2      GLY  22  -7.211   8.093  -0.868
  186    HA3  GLY  22           HA1      GLY  22  -6.660   9.746  -1.154
  187    H    ALA  23           HN       ALA  23  -4.202   8.220   0.406
  188    HA   ALA  23           HA       ALA  23  -2.512   7.911  -1.644
  189    HB1  ALA  23           HB1      ALA  23  -1.819   7.757   0.687
  190    HB2  ALA  23           HB2      ALA  23  -1.166   6.424  -0.266
  191    HB3  ALA  23           HB3      ALA  23  -2.544   6.156   0.800
  192    H    SER  24           HN       SER  24  -3.585   7.130  -3.361
  193    HA   SER  24           HA       SER  24  -4.540   4.563  -3.755
  194    HB2  SER  24           HB2      SER  24  -3.751   6.839  -5.364
  195    HB3  SER  24           HB1      SER  24  -3.334   5.328  -6.175
  196    HG   SER  24           HG       SER  24  -5.399   4.920  -6.471
  197    H    VAL  25           HN       VAL  25  -3.328   2.824  -3.102
  198    HA   VAL  25           HA       VAL  25  -0.505   2.750  -3.865
  199    HB   VAL  25           HB       VAL  25  -0.286   0.692  -2.585
  200   HG11  VAL  25          HG11      VAL  25   0.132   2.768  -1.417
  201   HG12  VAL  25          HG12      VAL  25  -0.591   1.595  -0.321
  202   HG13  VAL  25          HG13      VAL  25  -1.572   2.899  -0.990
  203   HG21  VAL  25          HG21      VAL  25  -2.072  -0.108  -1.111
  204   HG22  VAL  25          HG22      VAL  25  -2.505  -0.236  -2.814
  205   HG23  VAL  25          HG23      VAL  25  -3.175   1.065  -1.830
  206    H    THR  26           HN       THR  26  -0.136   2.089  -5.838
  207    HA   THR  26           HA       THR  26  -1.905   0.021  -6.979
  208    HB   THR  26           HB       THR  26  -2.913   2.028  -7.843
  209    HG1  THR  26           HG1      THR  26  -2.986   1.234  -9.747
  210   HG21  THR  26          HG21      THR  26  -1.691   3.704  -9.118
  211   HG22  THR  26          HG22      THR  26  -0.178   2.855  -8.803
  212   HG23  THR  26          HG23      THR  26  -1.065   3.597  -7.472
  213    H    SER  27           HN       SER  27  -0.733  -1.285  -8.567
  214    HA   SER  27           HA       SER  27   2.113  -1.047  -7.908
  215    HB2  SER  27           HB2      SER  27   2.138  -3.263  -7.632
  216    HB3  SER  27           HB1      SER  27   0.413  -3.333  -7.986
  217    HG   SER  27           HG       SER  27   2.271  -4.437  -9.362
  218    H    GLU  28           HN       GLU  28   3.528  -0.750  -9.536
  219    HA   GLU  28           HA       GLU  28   3.280   1.346 -10.888
  220    HB2  GLU  28           HB2      GLU  28   4.617  -1.088 -12.017
  221    HB3  GLU  28           HB1      GLU  28   4.856   0.538 -12.659
  222    HG2  GLU  28           HG2      GLU  28   5.810   1.303 -10.649
  223    HG3  GLU  28           HG1      GLU  28   5.274  -0.119  -9.763
  224    H    LYS  29           HN       LYS  29   1.875  -1.512 -12.592
  225    HA   LYS  29           HA       LYS  29   1.396   0.055 -14.985
  226    HB2  LYS  29           HB2      LYS  29   1.695  -2.484 -14.916
  227    HB3  LYS  29           HB1      LYS  29   0.056  -2.549 -14.280
  228    HG2  LYS  29           HG2      LYS  29  -0.277  -0.959 -16.462
  229    HG3  LYS  29           HG1      LYS  29   1.003  -2.044 -17.005
  230    HD2  LYS  29           HD2      LYS  29  -1.095  -3.016 -17.614
  231    HD3  LYS  29           HD1      LYS  29  -0.426  -3.964 -16.285
  232    HE2  LYS  29           HE2      LYS  29  -2.826  -3.561 -15.991
  233    HE3  LYS  29           HE1      LYS  29  -1.880  -2.811 -14.707
  234    HZ1  LYS  29           HZ1      LYS  29  -2.107  -0.680 -15.790
  235    HZ2  LYS  29           HZ2      LYS  29  -3.643  -1.355 -15.552
  236    HZ3  LYS  29           HZ3      LYS  29  -2.939  -1.382 -17.088
  237    H    GLY  30           HN       GLY  30  -0.308  -0.642 -12.027
  238    HA2  GLY  30           HA2      GLY  30  -1.836   1.218 -11.355
  239    HA3  GLY  30           HA1      GLY  30  -2.565   0.950 -12.917
  240    H    ARG  31           HN       ARG  31  -1.196  -1.301 -10.647
  241    HA   ARG  31           HA       ARG  31  -3.647  -2.849 -10.759
  242    HB2  ARG  31           HB2      ARG  31  -0.866  -3.463  -9.801
  243    HB3  ARG  31           HB1      ARG  31  -2.241  -4.411  -9.234
  244    HG2  ARG  31           HG2      ARG  31  -2.608  -5.363 -11.286
  245    HG3  ARG  31           HG1      ARG  31  -1.863  -4.027 -12.162
  246    HD2  ARG  31           HD2      ARG  31  -0.615  -6.283 -12.031
  247    HD3  ARG  31           HD1      ARG  31   0.287  -4.794 -11.766
  248    HE   ARG  31           HE       ARG  31   0.488  -5.322  -9.503
  249   HH11  ARG  31          HH11      ARG  31  -1.358  -7.763 -11.211
  250   HH12  ARG  31          HH12      ARG  31  -1.161  -8.954  -9.973
  251   HH21  ARG  31          HH21      ARG  31   0.761  -6.878  -7.879
  252   HH22  ARG  31          HH22      ARG  31   0.026  -8.448  -8.064
  253    H    GLU  32           HN       GLU  32  -4.856  -1.320  -9.646
  254    HA   GLU  32           HA       GLU  32  -3.952  -0.072  -7.299
  255    HB2  GLU  32           HB2      GLU  32  -6.590  -0.275  -8.700
  256    HB3  GLU  32           HB1      GLU  32  -6.486   0.499  -7.123
  257    HG2  GLU  32           HG2      GLU  32  -4.601   1.321  -9.292
  258    HG3  GLU  32           HG1      GLU  32  -6.275   1.906  -9.310
  259    H    LEU  33           HN       LEU  33  -3.611  -1.032  -5.456
  260    HA   LEU  33           HA       LEU  33  -5.024  -3.524  -4.825
  261    HB2  LEU  33           HB2      LEU  33  -2.729  -2.253  -3.330
  262    HB3  LEU  33           HB1      LEU  33  -3.345  -3.882  -3.148
  263    HG   LEU  33           HG       LEU  33  -1.800  -2.764  -5.484
  264   HD11  LEU  33          HD11      LEU  33  -0.200  -4.516  -4.902
  265   HD12  LEU  33          HD12      LEU  33  -1.217  -4.992  -3.541
  266   HD13  LEU  33          HD13      LEU  33  -0.459  -3.401  -3.560
  267   HD21  LEU  33          HD21      LEU  33  -3.060  -5.493  -5.225
  268   HD22  LEU  33          HD22      LEU  33  -2.004  -4.951  -6.531
  269   HD23  LEU  33          HD23      LEU  33  -3.592  -4.213  -6.317
  270    H    GLY  34           HN       GLY  34  -4.509  -0.170  -3.704
  271    HA2  GLY  34           HA2      GLY  34  -7.068  -0.040  -2.513
  272    HA3  GLY  34           HA1      GLY  34  -5.937  -0.485  -1.244
  273    H    MET  35           HN       MET  35  -6.774   1.608  -0.307
  274    HA   MET  35           HA       MET  35  -5.181   3.896  -1.137
  275    HB2  MET  35           HB2      MET  35  -8.194   4.121  -1.054
  276    HB3  MET  35           HB1      MET  35  -7.044   5.404  -1.448
  277    HG2  MET  35           HG2      MET  35  -6.535   4.503  -3.498
  278    HG3  MET  35           HG1      MET  35  -7.055   2.884  -2.998
  279    HE1  MET  35           HE1      MET  35  -7.760   4.282  -5.818
  280    HE2  MET  35           HE2      MET  35  -9.452   3.817  -6.000
  281    HE3  MET  35           HE3      MET  35  -8.277   2.651  -5.389
  282    H    VAL  36           HN       VAL  36  -4.783   5.317   0.527
  283    HA   VAL  36           HA       VAL  36  -5.334   4.320   3.202
  284    HB   VAL  36           HB       VAL  36  -3.916   6.813   2.238
  285   HG11  VAL  36          HG11      VAL  36  -3.243   7.227   4.544
  286   HG12  VAL  36          HG12      VAL  36  -4.241   5.880   5.090
  287   HG13  VAL  36          HG13      VAL  36  -4.997   7.307   4.380
  288   HG21  VAL  36          HG21      VAL  36  -2.873   4.386   3.671
  289   HG22  VAL  36          HG22      VAL  36  -1.935   5.769   3.102
  290   HG23  VAL  36          HG23      VAL  36  -2.722   4.695   1.942
  291    H    ALA  37           HN       ALA  37  -6.623   5.297   4.799
  292    HA   ALA  37           HA       ALA  37  -8.070   7.728   4.002
  293    HB1  ALA  37           HB1      ALA  37  -9.427   5.331   5.230
  294    HB2  ALA  37           HB2      ALA  37  -9.572   5.845   3.548
  295    HB3  ALA  37           HB3      ALA  37 -10.185   6.877   4.840
  296    H    ASP  38           HN       ASP  38  -5.966   7.965   5.552
  297    HA   ASP  38           HA       ASP  38  -6.747   9.258   7.906
  298    HB2  ASP  38           HB2      ASP  38  -6.174   7.693   9.643
  299    HB3  ASP  38           HB1      ASP  38  -7.315   6.872   8.595
  300    H    GLU  39           HN       GLU  39  -4.552   8.435   9.500
  301    HA   GLU  39           HA       GLU  39  -2.307   9.793   8.638
  302    HB2  GLU  39           HB2      GLU  39  -2.679   7.445  10.486
  303    HB3  GLU  39           HB1      GLU  39  -1.111   8.215  10.247
  304    HG2  GLU  39           HG2      GLU  39  -3.565   9.698  11.135
  305    HG3  GLU  39           HG1      GLU  39  -2.402   8.971  12.251
  306    H    GLY  40           HN       GLY  40  -3.118   6.325   8.154
  307    HA2  GLY  40           HA2      GLY  40  -1.683   6.069   5.865
  308    HA3  GLY  40           HA1      GLY  40  -0.499   5.705   7.113
  309    H    LEU  41           HN       LEU  41  -3.979   4.735   6.994
  310    HA   LEU  41           HA       LEU  41  -2.970   2.086   6.301
  311    HB2  LEU  41           HB2      LEU  41  -4.821   1.161   7.550
  312    HB3  LEU  41           HB1      LEU  41  -3.890   2.246   8.541
  313    HG   LEU  41           HG       LEU  41  -5.766   3.971   7.910
  314   HD11  LEU  41          HD11      LEU  41  -7.965   2.892   7.748
  315   HD12  LEU  41          HD12      LEU  41  -7.169   1.327   7.570
  316   HD13  LEU  41          HD13      LEU  41  -6.957   2.571   6.338
  317   HD21  LEU  41          HD21      LEU  41  -6.980   3.287   9.927
  318   HD22  LEU  41          HD22      LEU  41  -5.233   3.246  10.159
  319   HD23  LEU  41          HD23      LEU  41  -6.125   1.746   9.909
  320    H    ALA  42           HN       ALA  42  -3.807   0.982   4.694
  321    HA   ALA  42           HA       ALA  42  -6.145   2.067   3.322
  322    HB1  ALA  42           HB1      ALA  42  -5.279   1.692   1.117
  323    HB2  ALA  42           HB2      ALA  42  -3.821   0.924   1.771
  324    HB3  ALA  42           HB3      ALA  42  -4.077   2.653   1.994
  325    H    TRP  43           HN       TRP  43  -7.635   0.565   3.467
  326    HA   TRP  43           HA       TRP  43  -7.033  -2.171   4.140
  327    HB2  TRP  43           HB2      TRP  43  -9.487  -0.582   3.675
  328    HB3  TRP  43           HB1      TRP  43  -9.574  -2.348   3.705
  329    HD1  TRP  43           HD1      TRP  43  -8.663   0.623   5.945
  330    HE1  TRP  43           HE1      TRP  43  -8.322  -0.263   8.332
  331    HE3  TRP  43           HE3      TRP  43  -9.216  -4.359   5.014
  332    HZ2  TRP  43           HZ2      TRP  43  -8.284  -2.738   9.562
  333    HZ3  TRP  43           HZ3      TRP  43  -9.024  -5.941   6.891
  334    HH2  TRP  43           HH2      TRP  43  -8.578  -5.135   9.158
  335    H    LEU  44           HN       LEU  44  -6.091  -3.243   2.318
  336    HA   LEU  44           HA       LEU  44  -6.888  -2.315  -0.345
  337    HB2  LEU  44           HB2      LEU  44  -4.806  -4.414   0.128
  338    HB3  LEU  44           HB1      LEU  44  -4.992  -3.331  -1.240
  339    HG   LEU  44           HG       LEU  44  -3.858  -2.668   1.474
  340   HD11  LEU  44          HD11      LEU  44  -1.848  -2.145   0.142
  341   HD12  LEU  44          HD12      LEU  44  -2.682  -2.731  -1.300
  342   HD13  LEU  44          HD13      LEU  44  -2.327  -3.839   0.026
  343   HD21  LEU  44          HD21      LEU  44  -4.348  -0.836  -0.859
  344   HD22  LEU  44          HD22      LEU  44  -3.491  -0.427   0.626
  345   HD23  LEU  44          HD23      LEU  44  -5.212  -0.809   0.677
  346    H    SER  45           HN       SER  45  -6.718  -4.582  -1.770
  347    HA   SER  45           HA       SER  45  -7.908  -6.674  -0.405
  348    HB2  SER  45           HB2      SER  45  -9.954  -6.878  -1.734
  349    HB3  SER  45           HB1      SER  45  -9.976  -5.478  -0.673
  350    HG   SER  45           HG       SER  45  -9.187  -5.304  -3.390
  351    H    GLY  46           HN       GLY  46  -6.012  -7.592  -1.130
  352    HA2  GLY  46           HA2      GLY  46  -5.467  -9.300  -2.878
  353    HA3  GLY  46           HA1      GLY  46  -6.137  -8.195  -4.070
  354    H    VAL  47           HN       VAL  47  -3.395  -9.005  -2.135
  355    HA   VAL  47           HA       VAL  47  -1.876  -6.912  -3.527
  356    HB   VAL  47           HB       VAL  47  -2.002  -6.318  -1.144
  357   HG11  VAL  47          HG11      VAL  47  -2.308  -8.537  -0.191
  358   HG12  VAL  47          HG12      VAL  47  -0.943  -7.713   0.563
  359   HG13  VAL  47          HG13      VAL  47  -0.659  -8.972  -0.640
  360   HG21  VAL  47          HG21      VAL  47   0.395  -6.085  -0.716
  361   HG22  VAL  47          HG22      VAL  47   0.000  -5.727  -2.398
  362   HG23  VAL  47          HG23      VAL  47   0.736  -7.273  -1.975
  363    H    THR  48           HN       THR  48   0.097  -7.564  -4.381
  364    HA   THR  48           HA       THR  48   0.560 -10.467  -4.331
  365    HB   THR  48           HB       THR  48   1.474  -8.536  -6.473
  366    HG1  THR  48           HG1      THR  48  -0.926  -9.425  -6.119
  367   HG21  THR  48          HG21      THR  48   1.524 -11.555  -6.382
  368   HG22  THR  48          HG22      THR  48   2.924 -10.501  -6.196
  369   HG23  THR  48          HG23      THR  48   2.056 -10.549  -7.729
  370    HA   PRO  49           HA       PRO  49   4.086  -9.229  -1.962
  371    HB2  PRO  49           HB2      PRO  49   5.289 -11.646  -1.836
  372    HB3  PRO  49           HB1      PRO  49   3.825 -11.268  -0.924
  373    HG2  PRO  49           HG2      PRO  49   4.121 -12.769  -3.498
  374    HG3  PRO  49           HG1      PRO  49   3.098 -13.140  -2.093
  375    HD2  PRO  49           HD2      PRO  49   2.150 -11.935  -4.349
  376    HD3  PRO  49           HD1      PRO  49   1.466 -11.657  -2.733
  377    H    GLY  50           HN       GLY  50   5.917  -8.179  -2.658
  378    HA2  GLY  50           HA2      GLY  50   8.210  -8.503  -3.413
  379    HA3  GLY  50           HA1      GLY  50   7.612  -9.699  -4.558
  380    H    GLU  51           HN       GLU  51   6.479  -6.339  -3.875
  381    HA   GLU  51           HA       GLU  51   6.906  -5.868  -6.735
  382    HB2  GLU  51           HB2      GLU  51   4.384  -4.992  -5.348
  383    HB3  GLU  51           HB1      GLU  51   4.844  -4.614  -6.997
  384    HG2  GLU  51           HG2      GLU  51   4.798  -7.096  -7.430
  385    HG3  GLU  51           HG1      GLU  51   4.045  -7.232  -5.843
  386    H    THR  52           HN       THR  52   6.492  -3.499  -7.222
  387    HA   THR  52           HA       THR  52   7.035  -1.887  -4.874
  388    HB   THR  52           HB       THR  52   8.098  -0.186  -6.529
  389    HG1  THR  52           HG1      THR  52   7.540  -1.668  -8.381
  390   HG21  THR  52          HG21      THR  52   9.332  -1.262  -4.729
  391   HG22  THR  52          HG22      THR  52  10.318  -1.182  -6.189
  392   HG23  THR  52          HG23      THR  52   9.556  -2.702  -5.723
  393    H    LEU  53           HN       LEU  53   4.982  -1.434  -4.506
  394    HA   LEU  53           HA       LEU  53   2.945  -0.554  -6.206
  395    HB2  LEU  53           HB2      LEU  53   3.660  -0.116  -3.336
  396    HB3  LEU  53           HB1      LEU  53   2.346   0.807  -4.050
  397    HG   LEU  53           HG       LEU  53   2.437  -2.194  -4.031
  398   HD11  LEU  53          HD11      LEU  53   2.388  -1.364  -1.733
  399   HD12  LEU  53          HD12      LEU  53   0.838  -2.074  -2.187
  400   HD13  LEU  53          HD13      LEU  53   1.024  -0.321  -2.138
  401   HD21  LEU  53          HD21      LEU  53   0.281  -0.158  -4.552
  402   HD22  LEU  53          HD22      LEU  53   0.032  -1.909  -4.492
  403   HD23  LEU  53          HD23      LEU  53   1.047  -1.204  -5.752
  404    H    SER  54           HN       SER  54   2.463   1.486  -7.040
  405    HA   SER  54           HA       SER  54   4.016   3.671  -5.987
  406    HB2  SER  54           HB2      SER  54   3.285   4.885  -8.091
  407    HB3  SER  54           HB1      SER  54   4.367   3.511  -8.346
  408    HG   SER  54           HG       SER  54   2.715   3.277  -9.783
  409    H    VAL  55           HN       VAL  55   3.149   5.203  -4.813
  410    HA   VAL  55           HA       VAL  55   0.283   4.822  -4.346
  411    HB   VAL  55           HB       VAL  55   2.344   5.853  -2.422
  412   HG11  VAL  55          HG11      VAL  55   0.686   5.326  -0.719
  413   HG12  VAL  55          HG12      VAL  55  -0.438   4.813  -1.977
  414   HG13  VAL  55          HG13      VAL  55   0.066   6.500  -1.879
  415   HG21  VAL  55          HG21      VAL  55   1.333   3.055  -2.824
  416   HG22  VAL  55          HG22      VAL  55   2.248   3.589  -1.415
  417   HG23  VAL  55          HG23      VAL  55   2.990   3.634  -3.016
  418    H    ASN  56           HN       ASN  56  -0.938   6.361  -5.096
  419    HA   ASN  56           HA       ASN  56   0.122   9.017  -5.646
  420    HB2  ASN  56           HB2      ASN  56  -2.571   7.752  -6.174
  421    HB3  ASN  56           HB1      ASN  56  -2.270   9.463  -6.432
  422   HD21  ASN  56          HD21      ASN  56  -1.712   6.241  -7.545
  423   HD22  ASN  56          HD22      ASN  56  -1.009   6.684  -9.077
  424    H    TRP  57           HN       TRP  57  -0.322  10.752  -4.527
  425    HA   TRP  57           HA       TRP  57  -1.911  10.497  -2.120
  426    HB2  TRP  57           HB2      TRP  57   0.238   9.757  -1.534
  427    HB3  TRP  57           HB1      TRP  57   1.007  10.998  -2.513
  428    HD1  TRP  57           HD1      TRP  57  -1.415  12.778  -0.512
  429    HE1  TRP  57           HE1      TRP  57  -0.336  13.850   1.517
  430    HE3  TRP  57           HE3      TRP  57   2.935  10.112  -0.408
  431    HZ2  TRP  57           HZ2      TRP  57   1.946  13.621   2.900
  432    HZ3  TRP  57           HZ3      TRP  57   4.512  10.636   1.415
  433    HH2  TRP  57           HH2      TRP  57   4.039  12.356   3.043
  434    H    ASP  58           HN       ASP  58  -2.787  12.354  -1.264
  435    HA   ASP  58           HA       ASP  58  -3.600  14.615  -2.111
  436    HB2  ASP  58           HB2      ASP  58  -1.657  14.476   0.197
  437    HB3  ASP  58           HB1      ASP  58  -2.733  15.835  -0.111
  438    H    GLY  59           HN       GLY  59  -0.133  14.928  -1.016
  439    HA2  GLY  59           HA2      GLY  59   0.303  17.173  -2.543
  440    HA3  GLY  59           HA1      GLY  59   1.591  16.058  -2.099
  441    H    LYS  60           HN       LYS  60   0.426  13.894  -3.810
  442    HA   LYS  60           HA       LYS  60   0.423  14.270  -6.479
  443    HB2  LYS  60           HB2      LYS  60   2.706  14.320  -7.193
  444    HB3  LYS  60           HB1      LYS  60   2.535  15.628  -6.024
  445    HG2  LYS  60           HG2      LYS  60   3.187  13.754  -4.314
  446    HG3  LYS  60           HG1      LYS  60   3.897  13.013  -5.764
  447    HD2  LYS  60           HD2      LYS  60   5.063  15.230  -6.209
  448    HD3  LYS  60           HD1      LYS  60   4.598  15.684  -4.568
  449    HE2  LYS  60           HE2      LYS  60   6.863  14.792  -4.610
  450    HE3  LYS  60           HE1      LYS  60   5.789  13.737  -3.692
  451    HZ1  LYS  60           HZ1      LYS  60   5.615  12.294  -5.643
  452    HZ2  LYS  60           HZ2      LYS  60   7.223  12.450  -5.140
  453    HZ3  LYS  60           HZ3      LYS  60   6.680  13.298  -6.493
  454    H    ILE  61           HN       ILE  61   2.417  12.297  -7.232
  455    HA   ILE  61           HA       ILE  61   1.466  10.043  -5.677
  456    HB   ILE  61           HB       ILE  61   1.362   9.818  -8.288
  457   HG12  ILE  61          HG12      ILE  61   2.825   7.780  -6.595
  458   HG13  ILE  61          HG11      ILE  61   1.068   7.908  -6.741
  459   HG21  ILE  61          HG21      ILE  61   4.301   9.319  -7.853
  460   HG22  ILE  61          HG22      ILE  61   3.625  10.720  -8.695
  461   HG23  ILE  61          HG23      ILE  61   3.408   9.100  -9.362
  462   HD11  ILE  61          HD11      ILE  61   1.873   6.086  -8.082
  463   HD12  ILE  61          HD12      ILE  61   3.015   7.143  -8.913
  464   HD13  ILE  61          HD13      ILE  61   1.280   7.365  -9.140
  465    H    GLN  62           HN       GLN  62   3.158   9.206  -4.294
  466    HA   GLN  62           HA       GLN  62   5.474  10.888  -4.543
  467    HB2  GLN  62           HB2      GLN  62   4.585  10.871  -1.770
  468    HB3  GLN  62           HB1      GLN  62   5.319  12.136  -2.754
  469    HG2  GLN  62           HG2      GLN  62   2.992  12.303  -3.822
  470    HG3  GLN  62           HG1      GLN  62   2.465  11.501  -2.331
  471   HE21  GLN  62          HE21      GLN  62   1.345  13.336  -1.659
  472   HE22  GLN  62          HE22      GLN  62   2.164  14.750  -1.050
  473    H    CYS  63           HN       CYS  63   3.968   8.407  -2.487
  474    HA   CYS  63           HA       CYS  63   6.703   7.522  -2.004
  475    HB2  CYS  63           HB2      CYS  63   5.982   6.335  -0.028
  476    HB3  CYS  63           HB1      CYS  63   5.545   8.035   0.135
  477    H    GLN  64           HN       GLN  64   6.965   5.232  -2.237
  478    HA   GLN  64           HA       GLN  64   4.852   4.013  -3.819
  479    HB2  GLN  64           HB2      GLN  64   7.766   4.043  -4.608
  480    HB3  GLN  64           HB1      GLN  64   6.496   3.086  -5.381
  481    HG2  GLN  64           HG2      GLN  64   5.279   5.103  -5.905
  482    HG3  GLN  64           HG1      GLN  64   6.557   6.051  -5.140
  483   HE21  GLN  64          HE21      GLN  64   8.685   4.356  -6.160
  484   HE22  GLN  64          HE22      GLN  64   8.848   4.729  -7.840
  485    H    VAL  65           HN       VAL  65   4.974   1.566  -3.500
  486    HA   VAL  65           HA       VAL  65   6.064   1.531  -0.859
  487    HB   VAL  65           HB       VAL  65   3.416   0.495  -1.714
  488   HG11  VAL  65          HG11      VAL  65   5.012  -0.693   0.560
  489   HG12  VAL  65          HG12      VAL  65   4.496  -1.540  -0.899
  490   HG13  VAL  65          HG13      VAL  65   3.296  -0.969   0.261
  491   HG21  VAL  65          HG21      VAL  65   4.497   1.750   0.773
  492   HG22  VAL  65          HG22      VAL  65   2.800   1.381   0.457
  493   HG23  VAL  65          HG23      VAL  65   3.643   2.579  -0.526
  494    H    ASN  66           HN       ASN  66   7.111  -0.340  -0.139
  495    HA   ASN  66           HA       ASN  66   7.807  -2.088  -2.378
  496    HB2  ASN  66           HB2      ASN  66   9.793  -1.097  -1.350
  497    HB3  ASN  66           HB1      ASN  66   9.280  -1.678   0.237
  498   HD21  ASN  66          HD21      ASN  66  10.598  -2.573  -2.855
  499   HD22  ASN  66          HD22      ASN  66  11.139  -4.145  -2.391
  500    H    VAL  67           HN       VAL  67   6.855  -4.051  -2.407
  501    HA   VAL  67           HA       VAL  67   5.688  -4.952   0.096
  502    HB   VAL  67           HB       VAL  67   3.931  -4.412  -1.570
  503   HG11  VAL  67          HG11      VAL  67   5.065  -6.764  -3.013
  504   HG12  VAL  67          HG12      VAL  67   4.983  -5.096  -3.580
  505   HG13  VAL  67          HG13      VAL  67   3.500  -6.021  -3.340
  506   HG21  VAL  67          HG21      VAL  67   3.490  -5.905   0.296
  507   HG22  VAL  67          HG22      VAL  67   4.086  -7.273  -0.643
  508   HG23  VAL  67          HG23      VAL  67   2.619  -6.432  -1.145
  509    HA   PRO  68           HA       PRO  68   8.576  -8.209  -0.376
  510    HB2  PRO  68           HB2      PRO  68   8.431  -9.118   2.124
  511    HB3  PRO  68           HB1      PRO  68   9.138  -7.537   1.770
  512    HG2  PRO  68           HG2      PRO  68   6.456  -8.209   2.884
  513    HG3  PRO  68           HG1      PRO  68   7.528  -6.854   3.276
  514    HD2  PRO  68           HD2      PRO  68   5.326  -6.771   1.544
  515    HD3  PRO  68           HD1      PRO  68   6.609  -5.553   1.660
  516    H    GLU  69           HN       GLU  69   8.566 -10.606   0.423
  517    HA   GLU  69           HA       GLU  69   6.421 -11.837  -1.078
  518    HB2  GLU  69           HB2      GLU  69   7.669 -13.878  -0.856
  519    HB3  GLU  69           HB1      GLU  69   8.782 -12.592  -1.291
  520    HG2  GLU  69           HG2      GLU  69   8.404 -13.753   1.465
  521    HG3  GLU  69           HG1      GLU  69   9.748 -14.079   0.374
  522    H    THR  70           HN       THR  70   7.419 -11.488   2.263
  523    HA   THR  70           HA       THR  70   5.665 -13.350   3.335
  524    HB   THR  70           HB       THR  70   7.606 -12.468   4.538
  525    HG1  THR  70           HG1      THR  70   5.066 -12.174   5.766
  526   HG21  THR  70          HG21      THR  70   7.526 -10.259   5.610
  527   HG22  THR  70          HG22      THR  70   6.000  -9.922   4.788
  528   HG23  THR  70          HG23      THR  70   7.480 -10.134   3.851
  529    H    ALA  71           HN       ALA  71   4.167 -11.710   1.507
  530    HA   ALA  71           HA       ALA  71   2.530  -9.834   2.998
  531    HB1  ALA  71           HB1      ALA  71   2.942  -9.413   0.629
  532    HB2  ALA  71           HB2      ALA  71   1.223  -9.673   0.926
  533    HB3  ALA  71           HB3      ALA  71   2.199 -10.956   0.214
  534    H    ILE  72           HN       ILE  72   0.679 -10.243   3.939
  535    HA   ILE  72           HA       ILE  72  -0.065 -13.002   4.246
  536    HB   ILE  72           HB       ILE  72   0.369 -11.380   6.129
  537   HG12  ILE  72          HG12      ILE  72  -1.504 -12.260   7.528
  538   HG13  ILE  72          HG11      ILE  72  -2.278 -12.851   6.062
  539   HG21  ILE  72          HG21      ILE  72  -2.343 -10.355   5.316
  540   HG22  ILE  72          HG22      ILE  72  -0.820  -9.468   5.261
  541   HG23  ILE  72          HG23      ILE  72  -1.506  -9.945   6.814
  542   HD11  ILE  72          HD11      ILE  72  -0.336 -14.301   5.652
  543   HD12  ILE  72          HD12      ILE  72  -1.139 -14.650   7.182
  544   HD13  ILE  72          HD13      ILE  72   0.374 -13.744   7.167
  545    H    SER  73           HN       SER  73  -2.505 -13.475   4.495
  546    HA   SER  73           HA       SER  73  -3.827 -12.330   2.127
  547    HB2  SER  73           HB2      SER  73  -4.280 -15.138   3.138
  548    HB3  SER  73           HB1      SER  73  -4.717 -14.459   1.572
  549    HG   SER  73           HG       SER  73  -2.663 -15.870   1.954
  550    H    ASP  74           HN       ASP  74  -5.982 -11.613   2.455
  551    HA   ASP  74           HA       ASP  74  -7.645 -10.735   3.732
  552    HB2  ASP  74           HB2      ASP  74  -7.565 -13.586   4.735
  553    HB3  ASP  74           HB1      ASP  74  -8.947 -12.502   4.862
  554    H    GLN  75           HN       GLN  75  -5.191 -10.041   4.985
  555    HA   GLN  75           HA       GLN  75  -5.986  -9.864   7.727
  556    HB2  GLN  75           HB2      GLN  75  -3.507 -11.413   6.996
  557    HB3  GLN  75           HB1      GLN  75  -3.728 -10.684   8.579
  558    HG2  GLN  75           HG2      GLN  75  -5.614 -12.684   7.358
  559    HG3  GLN  75           HG1      GLN  75  -4.304 -13.096   8.463
  560   HE21  GLN  75          HE21      GLN  75  -7.238 -13.362   8.688
  561   HE22  GLN  75          HE22      GLN  75  -7.656 -12.557  10.168
  562    H    GLN  76           HN       GLN  76  -3.520  -9.090   8.803
  563    HA   GLN  76           HA       GLN  76  -3.412  -6.380   7.692
  564    HB2  GLN  76           HB2      GLN  76  -4.065  -6.488  10.013
  565    HB3  GLN  76           HB1      GLN  76  -2.689  -7.508  10.402
  566    HG2  GLN  76           HG2      GLN  76  -1.184  -5.639   9.844
  567    HG3  GLN  76           HG1      GLN  76  -2.595  -4.624   9.547
  568   HE21  GLN  76          HE21      GLN  76  -0.677  -6.243  11.950
  569   HE22  GLN  76          HE22      GLN  76  -1.363  -5.435  13.326
  570    H    LEU  77           HN       LEU  77  -1.460  -5.379   7.198
  571    HA   LEU  77           HA       LEU  77   1.035  -6.713   7.525
  572    HB2  LEU  77           HB2      LEU  77   0.220  -7.899   5.529
  573    HB3  LEU  77           HB1      LEU  77  -0.081  -6.367   4.734
  574    HG   LEU  77           HG       LEU  77   2.374  -5.895   4.859
  575   HD11  LEU  77          HD11      LEU  77   3.887  -7.771   5.265
  576   HD12  LEU  77          HD12      LEU  77   2.512  -8.780   5.717
  577   HD13  LEU  77          HD13      LEU  77   2.939  -7.380   6.701
  578   HD21  LEU  77          HD21      LEU  77   2.949  -7.368   3.007
  579   HD22  LEU  77          HD22      LEU  77   1.314  -6.730   2.827
  580   HD23  LEU  77          HD23      LEU  77   1.559  -8.388   3.377
  581    H    LEU  78           HN       LEU  78   2.590  -5.095   7.624
  582    HA   LEU  78           HA       LEU  78   1.492  -2.426   7.208
  583    HB2  LEU  78           HB2      LEU  78   3.282  -1.541   8.581
  584    HB3  LEU  78           HB1      LEU  78   2.423  -2.794   9.464
  585    HG   LEU  78           HG       LEU  78   5.024  -3.339   8.036
  586   HD11  LEU  78          HD11      LEU  78   5.432  -1.547   9.614
  587   HD12  LEU  78          HD12      LEU  78   6.121  -3.054  10.216
  588   HD13  LEU  78          HD13      LEU  78   4.607  -2.446  10.884
  589   HD21  LEU  78          HD21      LEU  78   5.160  -5.210   9.587
  590   HD22  LEU  78          HD22      LEU  78   3.665  -5.288   8.653
  591   HD23  LEU  78          HD23      LEU  78   3.631  -4.728  10.326
  592    H    LEU  79           HN       LEU  79   2.685  -0.966   5.839
  593    HA   LEU  79           HA       LEU  79   4.582  -2.342   4.119
  594    HB2  LEU  79           HB2      LEU  79   2.131  -0.895   3.151
  595    HB3  LEU  79           HB1      LEU  79   3.517  -1.204   2.123
  596    HG   LEU  79           HG       LEU  79   1.774  -3.292   3.438
  597   HD11  LEU  79          HD11      LEU  79   1.134  -3.853   1.157
  598   HD12  LEU  79          HD12      LEU  79   2.140  -2.543   0.541
  599   HD13  LEU  79          HD13      LEU  79   0.727  -2.179   1.532
  600   HD21  LEU  79          HD21      LEU  79   4.116  -4.001   3.339
  601   HD22  LEU  79          HD22      LEU  79   4.153  -3.636   1.614
  602   HD23  LEU  79          HD23      LEU  79   3.112  -4.923   2.221
  603    HA   PRO  80           HA       PRO  80   6.638   1.526   4.628
  604    HB2  PRO  80           HB2      PRO  80   8.937   0.832   3.452
  605    HB3  PRO  80           HB1      PRO  80   8.443   0.137   5.000
  606    HG2  PRO  80           HG2      PRO  80   8.394  -1.064   2.280
  607    HG3  PRO  80           HG1      PRO  80   8.679  -1.840   3.850
  608    HD2  PRO  80           HD2      PRO  80   6.261  -1.811   2.404
  609    HD3  PRO  80           HD1      PRO  80   6.477  -2.315   4.090
  610    H    CYS  81           HN       CYS  81   6.163   3.257   3.515
  611    HA   CYS  81           HA       CYS  81   6.062   3.304   0.626
  612    HB2  CYS  81           HB2      CYS  81   5.304   5.101   2.824
  613    HB3  CYS  81           HB1      CYS  81   5.932   5.918   1.393
  614    H    THR  82           HN       THR  82   8.000   3.069  -0.280
  615    HA   THR  82           HA       THR  82  10.332   4.470   0.776
  616    HB   THR  82           HB       THR  82  11.481   3.315  -1.195
  617    HG1  THR  82           HG1      THR  82   9.039   2.755  -1.904
  618   HG21  THR  82          HG21      THR  82  11.588   1.152  -0.032
  619   HG22  THR  82          HG22      THR  82  10.181   1.606   0.930
  620   HG23  THR  82          HG23      THR  82  11.690   2.505   1.094
  621    HA   PRO  83           HA       PRO  83  10.248   7.791  -2.173
  622    HB2  PRO  83           HB2      PRO  83  12.891   7.084  -3.280
  623    HB3  PRO  83           HB1      PRO  83  12.386   8.541  -2.418
  624    HG2  PRO  83           HG2      PRO  83  13.987   6.722  -1.275
  625    HG3  PRO  83           HG1      PRO  83  12.763   7.606  -0.342
  626    HD2  PRO  83           HD2      PRO  83  12.678   4.811  -1.412
  627    HD3  PRO  83           HD1      PRO  83  12.137   5.432   0.162
  628    H    GLN  84           HN       GLN  84  11.310   8.142  -4.678
  629    HA   GLN  84           HA       GLN  84   9.488   6.450  -6.211
  630    HB2  GLN  84           HB2      GLN  84  11.019   8.941  -6.997
  631    HB3  GLN  84           HB1      GLN  84   9.942   8.038  -8.062
  632    HG2  GLN  84           HG2      GLN  84   8.055   8.554  -6.633
  633    HG3  GLN  84           HG1      GLN  84   9.116   9.397  -5.503
  634   HE21  GLN  84          HE21      GLN  84   9.499   9.560  -8.967
  635   HE22  GLN  84          HE22      GLN  84   9.029  11.224  -9.134
  636    H    LYS  85           HN       LYS  85  10.655   6.295  -8.627
  637    HA   LYS  85           HA       LYS  85  13.192   5.000  -8.137
  638    HB2  LYS  85           HB2      LYS  85  12.640   3.105  -9.607
  639    HB3  LYS  85           HB1      LYS  85  11.618   3.116  -8.178
  640    HG2  LYS  85           HG2      LYS  85   9.752   3.906  -9.413
  641    HG3  LYS  85           HG1      LYS  85  10.753   4.248 -10.826
  642    HD2  LYS  85           HD2      LYS  85   9.502   2.212 -11.195
  643    HD3  LYS  85           HD1      LYS  85  11.217   1.831 -11.043
  644    HE2  LYS  85           HE2      LYS  85  10.864   1.145  -8.725
  645    HE3  LYS  85           HE1      LYS  85   9.153   1.549  -8.860
  646    HZ1  LYS  85           HZ1      LYS  85   8.985  -0.122 -10.653
  647    HZ2  LYS  85           HZ2      LYS  85   9.420  -0.798  -9.158
  648    HZ3  LYS  85           HZ3      LYS  85  10.593  -0.571 -10.359
  Start of MODEL   10
    1    H1   VAL   1           HT1      VAL   1   1.131 -22.182   6.181
    2    H2   VAL   1           HT2      VAL   1  -0.341 -22.062   5.348
    3    H3   VAL   1           HT3      VAL   1   0.105 -20.857   6.453
    4    HA   VAL   1           HA       VAL   1   1.974 -20.242   5.088
    5    HB   VAL   1           HB       VAL   1   2.458 -22.339   4.012
    6   HG11  VAL   1          HG11      VAL   1   0.224 -23.262   3.820
    7   HG12  VAL   1          HG12      VAL   1   1.034 -23.288   2.253
    8   HG13  VAL   1          HG13      VAL   1  -0.188 -22.063   2.593
    9   HG21  VAL   1          HG21      VAL   1   3.139 -20.327   2.823
   10   HG22  VAL   1          HG22      VAL   1   1.597 -20.297   1.966
   11   HG23  VAL   1          HG23      VAL   1   2.732 -21.619   1.693
   12    H    LEU   2           HN       LEU   2  -1.361 -20.991   4.129
   13    HA   LEU   2           HA       LEU   2  -1.457 -18.514   2.561
   14    HB2  LEU   2           HB2      LEU   2  -2.390 -20.536   1.497
   15    HB3  LEU   2           HB1      LEU   2  -3.509 -20.716   2.833
   16    HG   LEU   2           HG       LEU   2  -4.519 -18.520   2.220
   17   HD11  LEU   2          HD11      LEU   2  -2.727 -18.773  -0.192
   18   HD12  LEU   2          HD12      LEU   2  -2.609 -17.546   1.070
   19   HD13  LEU   2          HD13      LEU   2  -4.019 -17.590   0.010
   20   HD21  LEU   2          HD21      LEU   2  -5.725 -19.360   0.278
   21   HD22  LEU   2          HD22      LEU   2  -5.504 -20.632   1.480
   22   HD23  LEU   2          HD23      LEU   2  -4.492 -20.597   0.036
   23    H    LYS   3           HN       LYS   3  -1.336 -17.139   4.376
   24    HA   LYS   3           HA       LYS   3  -3.044 -17.262   6.535
   25    HB2  LYS   3           HB2      LYS   3  -0.999 -15.841   6.353
   26    HB3  LYS   3           HB1      LYS   3  -1.902 -14.735   5.329
   27    HG2  LYS   3           HG2      LYS   3  -1.777 -13.917   7.608
   28    HG3  LYS   3           HG1      LYS   3  -3.445 -14.285   7.162
   29    HD2  LYS   3           HD2      LYS   3  -3.376 -16.351   8.380
   30    HD3  LYS   3           HD1      LYS   3  -1.650 -16.163   8.689
   31    HE2  LYS   3           HE2      LYS   3  -3.814 -14.325   9.708
   32    HE3  LYS   3           HE1      LYS   3  -3.027 -15.589  10.649
   33    HZ1  LYS   3           HZ1      LYS   3  -2.007 -13.492  11.132
   34    HZ2  LYS   3           HZ2      LYS   3  -1.730 -13.181   9.493
   35    HZ3  LYS   3           HZ3      LYS   3  -0.897 -14.436  10.264
   36    H    GLY   4           HN       GLY   4  -3.536 -15.626   3.436
   37    HA2  GLY   4           HA2      GLY   4  -6.295 -15.670   3.698
   38    HA3  GLY   4           HA1      GLY   4  -5.779 -14.027   4.102
   39    H    LYS   5           HN       LYS   5  -6.072 -12.753   2.736
   40    HA   LYS   5           HA       LYS   5  -5.554 -13.401  -0.058
   41    HB2  LYS   5           HB2      LYS   5  -8.006 -13.379   1.061
   42    HB3  LYS   5           HB1      LYS   5  -7.817 -11.653   0.810
   43    HG2  LYS   5           HG2      LYS   5  -9.009 -12.538  -1.037
   44    HG3  LYS   5           HG1      LYS   5  -7.387 -12.126  -1.599
   45    HD2  LYS   5           HD2      LYS   5  -6.782 -14.319  -1.876
   46    HD3  LYS   5           HD1      LYS   5  -7.886 -14.895  -0.623
   47    HE2  LYS   5           HE2      LYS   5  -8.729 -13.852  -3.325
   48    HE3  LYS   5           HE1      LYS   5  -8.564 -15.558  -2.913
   49    HZ1  LYS   5           HZ1      LYS   5 -10.259 -15.259  -1.196
   50    HZ2  LYS   5           HZ2      LYS   5 -10.861 -14.848  -2.728
   51    HZ3  LYS   5           HZ3      LYS   5 -10.433 -13.630  -1.629
   52    H    ARG   6           HN       ARG   6  -6.777 -10.863  -0.367
   53    HA   ARG   6           HA       ARG   6  -4.491  -9.060  -0.290
   54    HB2  ARG   6           HB2      ARG   6  -6.184  -7.531  -1.306
   55    HB3  ARG   6           HB1      ARG   6  -5.928  -8.990  -2.245
   56    HG2  ARG   6           HG2      ARG   6  -7.944  -9.904  -0.912
   57    HG3  ARG   6           HG1      ARG   6  -8.252  -8.202  -0.595
   58    HD2  ARG   6           HD2      ARG   6  -9.520  -8.882  -2.519
   59    HD3  ARG   6           HD1      ARG   6  -8.239  -7.772  -3.024
   60    HE   ARG   6           HE       ARG   6  -7.111 -10.210  -3.350
   61   HH11  ARG   6          HH11      ARG   6 -10.130  -8.811  -4.445
   62   HH12  ARG   6          HH12      ARG   6 -10.189  -9.767  -5.895
   63   HH21  ARG   6          HH21      ARG   6  -7.184 -11.461  -5.213
   64   HH22  ARG   6          HH22      ARG   6  -8.499 -11.282  -6.341
   65    H    LEU   7           HN       LEU   7  -4.743  -7.034   1.025
   66    HA   LEU   7           HA       LEU   7  -6.940  -6.078   1.775
   67    HB2  LEU   7           HB2      LEU   7  -6.546  -8.134   3.815
   68    HB3  LEU   7           HB1      LEU   7  -7.078  -6.563   4.415
   69    HG   LEU   7           HG       LEU   7  -8.345  -7.901   2.064
   70   HD11  LEU   7          HD11      LEU   7  -9.218  -8.087   4.960
   71   HD12  LEU   7          HD12      LEU   7  -8.610  -9.411   3.965
   72   HD13  LEU   7          HD13      LEU   7 -10.153  -8.651   3.575
   73   HD21  LEU   7          HD21      LEU   7  -9.311  -5.734   3.928
   74   HD22  LEU   7          HD22      LEU   7 -10.227  -6.418   2.585
   75   HD23  LEU   7          HD23      LEU   7  -8.741  -5.522   2.272
   76    H    PHE   8           HN       PHE   8  -6.419  -5.359   4.738
   77    HA   PHE   8           HA       PHE   8  -5.676  -2.746   3.692
   78    HB2  PHE   8           HB2      PHE   8  -6.255  -2.012   6.057
   79    HB3  PHE   8           HB1      PHE   8  -7.565  -2.509   4.994
   80    HD1  PHE   8           HD2      PHE   8  -8.136  -5.144   5.239
   81    HD2  PHE   8           HD1      PHE   8  -6.356  -2.689   8.223
   82    HE1  PHE   8           HE2      PHE   8  -8.970  -6.666   6.979
   83    HE2  PHE   8           HE1      PHE   8  -7.196  -4.204   9.968
   84    HZ   PHE   8           HZ       PHE   8  -8.502  -6.197   9.350
   85    H    ALA   9           HN       ALA   9  -3.848  -1.676   4.246
   86    HA   ALA   9           HA       ALA   9  -1.956  -3.128   5.904
   87    HB1  ALA   9           HB1      ALA   9  -1.466  -3.823   3.606
   88    HB2  ALA   9           HB2      ALA   9  -0.145  -2.896   4.319
   89    HB3  ALA   9           HB3      ALA   9  -1.231  -2.135   3.155
   90    H    ILE  10           HN       ILE  10  -0.584  -1.888   6.996
   91    HA   ILE  10           HA       ILE  10  -1.029   0.980   7.033
   92    HB   ILE  10           HB       ILE  10   0.771  -0.704   8.789
   93   HG12  ILE  10          HG12      ILE  10  -2.038   0.286   9.346
   94   HG13  ILE  10          HG11      ILE  10  -1.622  -1.374   8.936
   95   HG21  ILE  10          HG21      ILE  10   1.354   1.666   8.749
   96   HG22  ILE  10          HG22      ILE  10   0.695   1.201  10.318
   97   HG23  ILE  10          HG23      ILE  10  -0.305   2.091   9.169
   98   HD11  ILE  10          HD11      ILE  10  -1.945  -1.139  11.319
   99   HD12  ILE  10          HD12      ILE  10  -0.725   0.134  11.381
  100   HD13  ILE  10          HD13      ILE  10  -0.258  -1.516  10.967
  101    H    LEU  11           HN       LEU  11   0.283   2.266   5.842
  102    HA   LEU  11           HA       LEU  11   2.826   1.195   5.008
  103    HB2  LEU  11           HB2      LEU  11   2.699   2.668   2.997
  104    HB3  LEU  11           HB1      LEU  11   1.593   1.312   2.961
  105    HG   LEU  11           HG       LEU  11   0.648   4.022   3.848
  106   HD11  LEU  11          HD11      LEU  11   0.800   2.998   1.014
  107   HD12  LEU  11          HD12      LEU  11   1.720   4.347   1.680
  108   HD13  LEU  11          HD13      LEU  11  -0.035   4.461   1.539
  109   HD21  LEU  11          HD21      LEU  11  -0.815   2.107   4.246
  110   HD22  LEU  11          HD22      LEU  11  -0.714   1.668   2.542
  111   HD23  LEU  11          HD23      LEU  11  -1.494   3.176   3.018
  112    H    ARG  12           HN       ARG  12   4.459   2.710   5.149
  113    HA   ARG  12           HA       ARG  12   3.727   5.335   6.224
  114    HB2  ARG  12           HB2      ARG  12   5.485   5.204   7.906
  115    HB3  ARG  12           HB1      ARG  12   4.285   3.939   8.111
  116    HG2  ARG  12           HG2      ARG  12   6.892   3.481   6.695
  117    HG3  ARG  12           HG1      ARG  12   6.695   3.284   8.439
  118    HD2  ARG  12           HD2      ARG  12   4.808   1.720   7.945
  119    HD3  ARG  12           HD1      ARG  12   5.271   1.800   6.248
  120    HE   ARG  12           HE       ARG  12   7.474   0.908   6.941
  121   HH11  ARG  12          HH11      ARG  12   4.706   0.414   9.036
  122   HH12  ARG  12          HH12      ARG  12   5.327  -1.042   9.737
  123   HH21  ARG  12          HH21      ARG  12   8.301  -1.014   7.837
  124   HH22  ARG  12          HH22      ARG  12   7.389  -1.866   9.047
  125    H    LEU  13           HN       LEU  13   5.340   7.056   6.059
  126    HA   LEU  13           HA       LEU  13   6.840   7.064   3.678
  127    HB2  LEU  13           HB2      LEU  13   6.249   8.817   5.955
  128    HB3  LEU  13           HB1      LEU  13   7.862   9.043   5.316
  129    HG   LEU  13           HG       LEU  13   6.444  10.645   4.312
  130   HD11  LEU  13          HD11      LEU  13   6.887   8.437   2.323
  131   HD12  LEU  13          HD12      LEU  13   8.062   9.665   2.798
  132   HD13  LEU  13          HD13      LEU  13   6.596  10.133   1.936
  133   HD21  LEU  13          HD21      LEU  13   4.426  10.061   3.012
  134   HD22  LEU  13          HD22      LEU  13   4.270   9.711   4.730
  135   HD23  LEU  13          HD23      LEU  13   4.574   8.402   3.587
  136    H    ALA  14           HN       ALA  14   9.187   8.126   4.428
  137    HA   ALA  14           HA       ALA  14  10.699   5.716   5.032
  138    HB1  ALA  14           HB1      ALA  14  12.677   7.072   4.586
  139    HB2  ALA  14           HB2      ALA  14  11.670   8.513   4.439
  140    HB3  ALA  14           HB3      ALA  14  11.514   7.206   3.266
  141    H    ASP  15           HN       ASP  15   9.773   8.747   6.474
  142    HA   ASP  15           HA       ASP  15  11.276   8.556   8.820
  143    HB2  ASP  15           HB2      ASP  15  10.227  10.634   8.071
  144    HB3  ASP  15           HB1      ASP  15   8.626   9.927   8.287
  145    H    GLY  16           HN       GLY  16   8.672   6.657   7.799
  146    HA2  GLY  16           HA2      GLY  16   7.516   5.019   8.919
  147    HA3  GLY  16           HA1      GLY  16   8.267   5.574  10.417
  148    H    SER  17           HN       SER  17   6.586   7.749   8.336
  149    HA   SER  17           HA       SER  17   4.150   7.667   9.953
  150    HB2  SER  17           HB2      SER  17   4.431  10.101  10.375
  151    HB3  SER  17           HB1      SER  17   5.740   9.136  11.061
  152    HG   SER  17           HG       SER  17   7.050  10.312   9.953
  153    H    GLN  18           HN       GLN  18   2.346   8.559   8.960
  154    HA   GLN  18           HA       GLN  18   2.498  10.375   6.747
  155    HB2  GLN  18           HB2      GLN  18   0.805   8.038   6.087
  156    HB3  GLN  18           HB1      GLN  18   1.577   9.201   5.028
  157    HG2  GLN  18           HG2      GLN  18   3.705   7.979   5.360
  158    HG3  GLN  18           HG1      GLN  18   2.824   6.806   6.336
  159   HE21  GLN  18          HE21      GLN  18   3.384   8.005   3.125
  160   HE22  GLN  18          HE22      GLN  18   2.553   6.730   2.290
  161    HA   PRO  19           HA       PRO  19  -1.807  10.149   7.155
  162    HB2  PRO  19           HB2      PRO  19  -2.548  12.701   7.614
  163    HB3  PRO  19           HB1      PRO  19  -2.042  11.650   8.942
  164    HG2  PRO  19           HG2      PRO  19  -0.648  13.959   7.783
  165    HG3  PRO  19           HG1      PRO  19  -0.334  13.119   9.309
  166    HD2  PRO  19           HD2      PRO  19   0.973  12.764   6.691
  167    HD3  PRO  19           HD1      PRO  19   1.509  12.217   8.298
  168    HA   PRO  20           HA       PRO  20  -2.208  12.027   3.140
  169    HB2  PRO  20           HB2      PRO  20  -1.244  10.270   1.462
  170    HB3  PRO  20           HB1      PRO  20  -0.168  11.227   2.490
  171    HG2  PRO  20           HG2      PRO  20  -0.880   8.354   2.706
  172    HG3  PRO  20           HG1      PRO  20   0.621   9.175   3.173
  173    HD2  PRO  20           HD2      PRO  20  -1.687   8.575   4.813
  174    HD3  PRO  20           HD1      PRO  20  -0.140   9.283   5.307
  175    H    PHE  21           HN       PHE  21  -4.434  11.827   3.242
  176    HA   PHE  21           HA       PHE  21  -5.552   9.132   3.253
  177    HB2  PHE  21           HB2      PHE  21  -6.675  10.049   4.938
  178    HB3  PHE  21           HB1      PHE  21  -6.165  11.654   4.452
  179    HD1  PHE  21           HD1      PHE  21  -8.686   9.011   3.896
  180    HD2  PHE  21           HD2      PHE  21  -7.706  13.118   3.383
  181    HE1  PHE  21           HE1      PHE  21 -11.002   9.475   3.231
  182    HE2  PHE  21           HE2      PHE  21 -10.022  13.587   2.705
  183    HZ   PHE  21           HZ       PHE  21 -11.676  11.766   2.631
  184    H    GLY  22           HN       GLY  22  -5.880   8.402   1.319
  185    HA2  GLY  22           HA2      GLY  22  -7.199   8.669  -0.772
  186    HA3  GLY  22           HA1      GLY  22  -6.507  10.293  -0.832
  187    H    ALA  23           HN       ALA  23  -4.104   8.721   0.538
  188    HA   ALA  23           HA       ALA  23  -2.420   8.427  -1.568
  189    HB1  ALA  23           HB1      ALA  23  -1.063   6.947  -0.176
  190    HB2  ALA  23           HB2      ALA  23  -2.426   6.730   0.919
  191    HB3  ALA  23           HB3      ALA  23  -1.682   8.317   0.746
  192    H    SER  24           HN       SER  24  -3.562   7.600  -3.245
  193    HA   SER  24           HA       SER  24  -4.601   5.100  -3.575
  194    HB2  SER  24           HB2      SER  24  -3.579   7.262  -5.270
  195    HB3  SER  24           HB1      SER  24  -3.586   5.687  -6.067
  196    HG   SER  24           HG       SER  24  -5.806   6.888  -4.729
  197    H    VAL  25           HN       VAL  25  -3.492   3.223  -3.021
  198    HA   VAL  25           HA       VAL  25  -0.698   2.979  -3.877
  199    HB   VAL  25           HB       VAL  25  -0.677   0.819  -2.650
  200   HG11  VAL  25          HG11      VAL  25   0.186   2.811  -1.578
  201   HG12  VAL  25          HG12      VAL  25  -0.634   1.802  -0.389
  202   HG13  VAL  25          HG13      VAL  25  -1.429   3.244  -1.022
  203   HG21  VAL  25          HG21      VAL  25  -2.432   0.331  -1.026
  204   HG22  VAL  25          HG22      VAL  25  -3.058   0.314  -2.675
  205   HG23  VAL  25          HG23      VAL  25  -3.371   1.697  -1.628
  206    H    THR  26           HN       THR  26  -0.319   2.206  -5.829
  207    HA   THR  26           HA       THR  26  -1.934  -0.025  -6.853
  208    HB   THR  26           HB       THR  26  -3.230   1.376  -8.106
  209    HG1  THR  26           HG1      THR  26  -0.862   1.452  -9.677
  210   HG21  THR  26          HG21      THR  26  -2.592   3.610  -8.887
  211   HG22  THR  26          HG22      THR  26  -0.976   3.380  -8.219
  212   HG23  THR  26          HG23      THR  26  -2.372   3.458  -7.144
  213    H    SER  27           HN       SER  27  -0.651  -1.343  -8.268
  214    HA   SER  27           HA       SER  27   2.146  -0.869  -7.667
  215    HB2  SER  27           HB2      SER  27   2.594  -3.079  -8.501
  216    HB3  SER  27           HB1      SER  27   1.159  -3.174  -7.474
  217    HG   SER  27           HG       SER  27   0.782  -4.321  -9.352
  218    H    GLU  28           HN       GLU  28   3.731  -1.204  -9.611
  219    HA   GLU  28           HA       GLU  28   3.405   0.621 -11.543
  220    HB2  GLU  28           HB2      GLU  28   4.919  -1.953 -12.016
  221    HB3  GLU  28           HB1      GLU  28   5.193  -0.411 -12.811
  222    HG2  GLU  28           HG2      GLU  28   5.698  -1.082  -9.926
  223    HG3  GLU  28           HG1      GLU  28   6.894  -0.755 -11.179
  224    H    LYS  29           HN       LYS  29   1.819  -2.383 -11.481
  225    HA   LYS  29           HA       LYS  29   1.282  -2.429 -14.351
  226    HB2  LYS  29           HB2      LYS  29   0.483  -4.314 -12.128
  227    HB3  LYS  29           HB1      LYS  29   0.001  -4.511 -13.806
  228    HG2  LYS  29           HG2      LYS  29   2.356  -4.697 -14.458
  229    HG3  LYS  29           HG1      LYS  29   2.830  -4.517 -12.769
  230    HD2  LYS  29           HD2      LYS  29   1.010  -6.709 -13.747
  231    HD3  LYS  29           HD1      LYS  29   2.762  -6.885 -13.645
  232    HE2  LYS  29           HE2      LYS  29   0.963  -6.186 -11.326
  233    HE3  LYS  29           HE1      LYS  29   1.558  -7.807 -11.685
  234    HZ1  LYS  29           HZ1      LYS  29   3.826  -6.983 -11.418
  235    HZ2  LYS  29           HZ2      LYS  29   2.919  -6.753 -10.005
  236    HZ3  LYS  29           HZ3      LYS  29   3.238  -5.441 -11.031
  237    H    GLY  30           HN       GLY  30  -0.239  -1.503 -11.333
  238    HA2  GLY  30           HA2      GLY  30  -1.840   0.329 -11.462
  239    HA3  GLY  30           HA1      GLY  30  -2.480  -0.462 -12.890
  240    H    ARG  31           HN       ARG  31  -1.350  -2.754 -10.769
  241    HA   ARG  31           HA       ARG  31  -3.707  -3.562  -9.800
  242    HB2  ARG  31           HB2      ARG  31  -0.919  -3.954  -8.951
  243    HB3  ARG  31           HB1      ARG  31  -2.112  -4.210  -7.680
  244    HG2  ARG  31           HG2      ARG  31  -3.243  -5.859  -9.127
  245    HG3  ARG  31           HG1      ARG  31  -1.959  -5.642 -10.324
  246    HD2  ARG  31           HD2      ARG  31  -0.301  -6.414  -8.764
  247    HD3  ARG  31           HD1      ARG  31  -1.491  -6.473  -7.463
  248    HE   ARG  31           HE       ARG  31  -2.583  -8.194  -9.122
  249   HH11  ARG  31          HH11      ARG  31   0.801  -7.782  -8.306
  250   HH12  ARG  31          HH12      ARG  31   1.193  -9.463  -8.522
  251   HH21  ARG  31          HH21      ARG  31  -2.081 -10.415  -9.408
  252   HH22  ARG  31          HH22      ARG  31  -0.444 -10.965  -9.150
  253    H    GLU  32           HN       GLU  32  -4.903  -1.659  -9.272
  254    HA   GLU  32           HA       GLU  32  -4.009  -0.005  -7.206
  255    HB2  GLU  32           HB2      GLU  32  -6.852  -0.266  -8.189
  256    HB3  GLU  32           HB1      GLU  32  -6.110   1.135  -7.424
  257    HG2  GLU  32           HG2      GLU  32  -4.486   1.125  -9.417
  258    HG3  GLU  32           HG1      GLU  32  -5.651   0.039 -10.170
  259    H    LEU  33           HN       LEU  33  -3.592  -0.986  -5.357
  260    HA   LEU  33           HA       LEU  33  -5.134  -3.182  -4.338
  261    HB2  LEU  33           HB2      LEU  33  -2.728  -1.654  -3.441
  262    HB3  LEU  33           HB1      LEU  33  -3.604  -2.611  -2.264
  263    HG   LEU  33           HG       LEU  33  -3.227  -4.628  -3.637
  264   HD11  LEU  33          HD11      LEU  33  -3.040  -3.569  -5.824
  265   HD12  LEU  33          HD12      LEU  33  -1.640  -4.582  -5.472
  266   HD13  LEU  33          HD13      LEU  33  -1.515  -2.828  -5.336
  267   HD21  LEU  33          HD21      LEU  33  -0.715  -3.111  -2.960
  268   HD22  LEU  33          HD22      LEU  33  -0.852  -4.858  -3.171
  269   HD23  LEU  33          HD23      LEU  33  -1.687  -4.064  -1.837
  270    H    GLY  34           HN       GLY  34  -4.734   0.282  -3.582
  271    HA2  GLY  34           HA2      GLY  34  -7.250   0.489  -2.466
  272    HA3  GLY  34           HA1      GLY  34  -6.201   0.112  -1.104
  273    H    MET  35           HN       MET  35  -6.772   2.110  -0.189
  274    HA   MET  35           HA       MET  35  -5.288   4.406  -1.110
  275    HB2  MET  35           HB2      MET  35  -8.276   4.690  -0.749
  276    HB3  MET  35           HB1      MET  35  -7.138   5.920  -1.300
  277    HG2  MET  35           HG2      MET  35  -6.923   4.981  -3.381
  278    HG3  MET  35           HG1      MET  35  -7.419   3.381  -2.797
  279    HE1  MET  35           HE1      MET  35 -10.220   4.230  -5.420
  280    HE2  MET  35           HE2      MET  35  -9.026   3.044  -4.893
  281    HE3  MET  35           HE3      MET  35  -8.499   4.603  -5.529
  282    H    VAL  36           HN       VAL  36  -4.785   5.737   0.624
  283    HA   VAL  36           HA       VAL  36  -5.209   4.593   3.201
  284    HB   VAL  36           HB       VAL  36  -4.016   7.237   2.388
  285   HG11  VAL  36          HG11      VAL  36  -3.327   7.529   4.709
  286   HG12  VAL  36          HG12      VAL  36  -4.209   6.071   5.164
  287   HG13  VAL  36          HG13      VAL  36  -5.086   7.485   4.579
  288   HG21  VAL  36          HG21      VAL  36  -2.782   4.796   3.644
  289   HG22  VAL  36          HG22      VAL  36  -1.946   6.242   3.074
  290   HG23  VAL  36          HG23      VAL  36  -2.743   5.170   1.921
  291    H    ALA  37           HN       ALA  37  -6.673   4.970   4.705
  292    HA   ALA  37           HA       ALA  37  -8.375   7.337   4.417
  293    HB1  ALA  37           HB1      ALA  37  -9.743   5.401   3.831
  294    HB2  ALA  37           HB2      ALA  37 -10.277   6.122   5.348
  295    HB3  ALA  37           HB3      ALA  37  -9.329   4.636   5.366
  296    H    ASP  38           HN       ASP  38  -7.061   8.441   5.800
  297    HA   ASP  38           HA       ASP  38  -6.573   9.386   7.809
  298    HB2  ASP  38           HB2      ASP  38  -8.031   7.035   9.028
  299    HB3  ASP  38           HB1      ASP  38  -7.320   8.353   9.954
  300    H    GLU  39           HN       GLU  39  -4.622   9.408   8.710
  301    HA   GLU  39           HA       GLU  39  -2.569   8.794   9.435
  302    HB2  GLU  39           HB2      GLU  39  -3.819   6.072   9.899
  303    HB3  GLU  39           HB1      GLU  39  -2.249   6.607  10.490
  304    HG2  GLU  39           HG2      GLU  39  -3.365   8.340  11.826
  305    HG3  GLU  39           HG1      GLU  39  -4.925   7.734  11.268
  306    H    GLY  40           HN       GLY  40  -1.384   6.112   9.014
  307    HA2  GLY  40           HA2      GLY  40  -1.220   6.198   6.089
  308    HA3  GLY  40           HA1      GLY  40   0.008   5.556   7.182
  309    H    LEU  41           HN       LEU  41  -3.460   4.939   6.609
  310    HA   LEU  41           HA       LEU  41  -2.768   2.096   6.258
  311    HB2  LEU  41           HB2      LEU  41  -3.877   2.970   8.471
  312    HB3  LEU  41           HB1      LEU  41  -5.328   3.019   7.494
  313    HG   LEU  41           HG       LEU  41  -3.690   0.518   7.900
  314   HD11  LEU  41          HD11      LEU  41  -4.552   1.284  10.040
  315   HD12  LEU  41          HD12      LEU  41  -5.412  -0.158   9.498
  316   HD13  LEU  41          HD13      LEU  41  -6.170   1.427   9.352
  317   HD21  LEU  41          HD21      LEU  41  -6.495   0.941   6.876
  318   HD22  LEU  41          HD22      LEU  41  -5.707  -0.618   7.122
  319   HD23  LEU  41          HD23      LEU  41  -5.090   0.499   5.904
  320    H    ALA  42           HN       ALA  42  -3.374   1.364   4.331
  321    HA   ALA  42           HA       ALA  42  -5.688   2.620   3.036
  322    HB1  ALA  42           HB1      ALA  42  -3.590   3.058   1.707
  323    HB2  ALA  42           HB2      ALA  42  -4.861   2.198   0.823
  324    HB3  ALA  42           HB3      ALA  42  -3.461   1.315   1.465
  325    H    TRP  43           HN       TRP  43  -7.063   1.111   1.964
  326    HA   TRP  43           HA       TRP  43  -7.012  -1.500   3.118
  327    HB2  TRP  43           HB2      TRP  43  -8.932   0.161   1.537
  328    HB3  TRP  43           HB1      TRP  43  -9.222  -1.590   1.720
  329    HD1  TRP  43           HD1      TRP  43  -8.514   1.516   3.892
  330    HE1  TRP  43           HE1      TRP  43  -9.237   0.964   6.295
  331    HE3  TRP  43           HE3      TRP  43 -10.025  -3.299   3.157
  332    HZ2  TRP  43           HZ2      TRP  43 -10.216  -1.230   7.613
  333    HZ3  TRP  43           HZ3      TRP  43 -10.883  -4.566   5.090
  334    HH2  TRP  43           HH2      TRP  43 -11.003  -3.532   7.301
  335    H    LEU  44           HN       LEU  44  -5.516  -3.037   1.941
  336    HA   LEU  44           HA       LEU  44  -5.265  -2.318  -0.900
  337    HB2  LEU  44           HB2      LEU  44  -3.316  -3.732   0.924
  338    HB3  LEU  44           HB1      LEU  44  -3.145  -3.695  -0.823
  339    HG   LEU  44           HG       LEU  44  -3.064  -1.161  -0.638
  340   HD11  LEU  44          HD11      LEU  44  -2.687  -1.824   2.273
  341   HD12  LEU  44          HD12      LEU  44  -4.014  -0.900   1.568
  342   HD13  LEU  44          HD13      LEU  44  -2.372  -0.256   1.531
  343   HD21  LEU  44          HD21      LEU  44  -1.074  -2.495  -1.034
  344   HD22  LEU  44          HD22      LEU  44  -0.890  -2.761   0.700
  345   HD23  LEU  44          HD23      LEU  44  -0.716  -1.137   0.034
  346    H    SER  45           HN       SER  45  -7.314  -3.566  -1.126
  347    HA   SER  45           HA       SER  45  -7.085  -6.323  -1.156
  348    HB2  SER  45           HB2      SER  45  -9.128  -6.093  -2.712
  349    HB3  SER  45           HB1      SER  45  -9.268  -5.432  -1.078
  350    HG   SER  45           HG       SER  45  -8.503  -3.901  -3.346
  351    H    GLY  46           HN       GLY  46  -5.022  -6.504  -2.141
  352    HA2  GLY  46           HA2      GLY  46  -5.128  -7.829  -4.572
  353    HA3  GLY  46           HA1      GLY  46  -4.885  -6.133  -4.991
  354    H    VAL  47           HN       VAL  47  -3.570  -7.822  -2.179
  355    HA   VAL  47           HA       VAL  47  -0.990  -6.692  -2.955
  356    HB   VAL  47           HB       VAL  47  -1.593  -6.037  -0.720
  357   HG11  VAL  47          HG11      VAL  47  -1.997  -7.645   1.073
  358   HG12  VAL  47          HG12      VAL  47  -1.882  -8.971  -0.085
  359   HG13  VAL  47          HG13      VAL  47  -3.196  -7.802  -0.212
  360   HG21  VAL  47          HG21      VAL  47   0.754  -6.522  -1.128
  361   HG22  VAL  47          HG22      VAL  47   0.503  -8.204  -0.665
  362   HG23  VAL  47          HG23      VAL  47   0.315  -6.923   0.532
  363    H    THR  48           HN       THR  48   0.351  -7.990  -3.919
  364    HA   THR  48           HA       THR  48   0.283 -10.843  -3.258
  365    HB   THR  48           HB       THR  48   1.103  -9.761  -5.959
  366    HG1  THR  48           HG1      THR  48  -1.226  -9.649  -5.459
  367   HG21  THR  48          HG21      THR  48   1.025 -12.137  -6.624
  368   HG22  THR  48          HG22      THR  48   0.653 -12.573  -4.955
  369   HG23  THR  48          HG23      THR  48   2.208 -11.843  -5.350
  370    HA   PRO  49           HA       PRO  49   4.195  -9.765  -1.518
  371    HB2  PRO  49           HB2      PRO  49   5.235 -12.352  -1.672
  372    HB3  PRO  49           HB1      PRO  49   4.295 -11.693  -0.331
  373    HG2  PRO  49           HG2      PRO  49   3.414 -13.405  -2.611
  374    HG3  PRO  49           HG1      PRO  49   2.882 -13.423  -0.916
  375    HD2  PRO  49           HD2      PRO  49   1.366 -12.345  -2.842
  376    HD3  PRO  49           HD1      PRO  49   1.452 -11.619  -1.219
  377    H    GLY  50           HN       GLY  50   5.903  -8.820  -2.563
  378    HA2  GLY  50           HA2      GLY  50   8.008  -9.206  -3.705
  379    HA3  GLY  50           HA1      GLY  50   7.212 -10.463  -4.649
  380    H    GLU  51           HN       GLU  51   6.129  -7.156  -3.940
  381    HA   GLU  51           HA       GLU  51   6.079  -6.688  -6.842
  382    HB2  GLU  51           HB2      GLU  51   4.001  -5.862  -4.823
  383    HB3  GLU  51           HB1      GLU  51   4.125  -5.154  -6.424
  384    HG2  GLU  51           HG2      GLU  51   3.983  -8.068  -6.262
  385    HG3  GLU  51           HG1      GLU  51   2.546  -7.164  -5.823
  386    H    THR  52           HN       THR  52   5.534  -4.286  -7.092
  387    HA   THR  52           HA       THR  52   6.709  -2.678  -5.058
  388    HB   THR  52           HB       THR  52   8.627  -2.942  -6.609
  389    HG1  THR  52           HG1      THR  52   7.848  -0.282  -7.022
  390   HG21  THR  52          HG21      THR  52   8.534  -1.885  -8.836
  391   HG22  THR  52          HG22      THR  52   6.806  -1.616  -8.619
  392   HG23  THR  52          HG23      THR  52   7.438  -3.261  -8.701
  393    H    LEU  53           HN       LEU  53   5.735  -0.657  -4.939
  394    HA   LEU  53           HA       LEU  53   3.241  -0.557  -6.458
  395    HB2  LEU  53           HB2      LEU  53   3.667  -1.009  -3.784
  396    HB3  LEU  53           HB1      LEU  53   3.344   0.709  -3.861
  397    HG   LEU  53           HG       LEU  53   1.245   0.312  -4.998
  398   HD11  LEU  53          HD11      LEU  53   1.853  -2.603  -4.572
  399   HD12  LEU  53          HD12      LEU  53   1.804  -1.769  -6.127
  400   HD13  LEU  53          HD13      LEU  53   0.331  -1.941  -5.173
  401   HD21  LEU  53          HD21      LEU  53   0.035  -0.723  -3.158
  402   HD22  LEU  53          HD22      LEU  53   1.196   0.492  -2.626
  403   HD23  LEU  53          HD23      LEU  53   1.572  -1.222  -2.459
  404    H    SER  54           HN       SER  54   2.303   1.486  -6.897
  405    HA   SER  54           HA       SER  54   3.862   3.788  -6.099
  406    HB2  SER  54           HB2      SER  54   2.420   3.257  -8.672
  407    HB3  SER  54           HB1      SER  54   2.919   4.882  -8.195
  408    HG   SER  54           HG       SER  54   4.522   2.635  -8.827
  409    H    VAL  55           HN       VAL  55   2.999   5.364  -5.009
  410    HA   VAL  55           HA       VAL  55   0.151   5.008  -4.421
  411    HB   VAL  55           HB       VAL  55   2.265   6.143  -2.606
  412   HG11  VAL  55          HG11      VAL  55  -0.463   5.004  -2.027
  413   HG12  VAL  55          HG12      VAL  55  -0.037   6.715  -2.032
  414   HG13  VAL  55          HG13      VAL  55   0.679   5.631  -0.839
  415   HG21  VAL  55          HG21      VAL  55   2.243   3.875  -1.546
  416   HG22  VAL  55          HG22      VAL  55   2.975   3.933  -3.152
  417   HG23  VAL  55          HG23      VAL  55   1.342   3.296  -2.949
  418    H    ASN  56           HN       ASN  56  -1.020   6.504  -5.336
  419    HA   ASN  56           HA       ASN  56  -0.102   9.202  -5.810
  420    HB2  ASN  56           HB2      ASN  56  -2.448   7.575  -6.583
  421    HB3  ASN  56           HB1      ASN  56  -2.794   9.282  -6.307
  422   HD21  ASN  56          HD21      ASN  56  -2.816   7.599  -8.731
  423   HD22  ASN  56          HD22      ASN  56  -1.781   8.425  -9.869
  424    H    TRP  57           HN       TRP  57   0.256  10.074  -3.891
  425    HA   TRP  57           HA       TRP  57  -1.777  10.095  -1.852
  426    HB2  TRP  57           HB2      TRP  57   0.177   9.660  -0.750
  427    HB3  TRP  57           HB1      TRP  57   1.142  10.515  -1.939
  428    HD1  TRP  57           HD1      TRP  57  -1.515  12.669  -0.438
  429    HE1  TRP  57           HE1      TRP  57  -0.447  14.338   1.167
  430    HE3  TRP  57           HE3      TRP  57   3.082  10.527  -0.014
  431    HZ2  TRP  57           HZ2      TRP  57   1.936  14.685   2.374
  432    HZ3  TRP  57           HZ3      TRP  57   4.716  11.649   1.470
  433    HH2  TRP  57           HH2      TRP  57   4.153  13.682   2.660
  434    H    ASP  58           HN       ASP  58  -2.882  11.947  -1.280
  435    HA   ASP  58           HA       ASP  58  -3.871  13.938  -2.424
  436    HB2  ASP  58           HB2      ASP  58  -2.060  14.339  -0.060
  437    HB3  ASP  58           HB1      ASP  58  -3.082  15.629  -0.685
  438    H    GLY  59           HN       GLY  59  -0.499  14.916  -1.438
  439    HA2  GLY  59           HA2      GLY  59  -0.369  16.922  -3.275
  440    HA3  GLY  59           HA1      GLY  59   1.060  16.071  -2.701
  441    H    LYS  60           HN       LYS  60   0.285  13.534  -4.136
  442    HA   LYS  60           HA       LYS  60   0.454  13.809  -6.841
  443    HB2  LYS  60           HB2      LYS  60   2.798  13.941  -7.342
  444    HB3  LYS  60           HB1      LYS  60   2.428  15.298  -6.278
  445    HG2  LYS  60           HG2      LYS  60   3.011  13.565  -4.392
  446    HG3  LYS  60           HG1      LYS  60   3.908  12.794  -5.723
  447    HD2  LYS  60           HD2      LYS  60   5.388  14.291  -4.489
  448    HD3  LYS  60           HD1      LYS  60   5.172  14.843  -6.148
  449    HE2  LYS  60           HE2      LYS  60   3.587  16.523  -5.408
  450    HE3  LYS  60           HE1      LYS  60   3.698  15.927  -3.752
  451    HZ1  LYS  60           HZ1      LYS  60   5.983  17.044  -5.288
  452    HZ2  LYS  60           HZ2      LYS  60   5.985  16.592  -3.654
  453    HZ3  LYS  60           HZ3      LYS  60   5.062  17.920  -4.165
  454    H    ILE  61           HN       ILE  61   2.696  11.957  -7.246
  455    HA   ILE  61           HA       ILE  61   1.538   9.686  -5.880
  456    HB   ILE  61           HB       ILE  61   1.421   9.602  -8.435
  457   HG12  ILE  61          HG12      ILE  61   2.914   7.345  -7.102
  458   HG13  ILE  61          HG11      ILE  61   1.182   7.626  -6.893
  459   HG21  ILE  61          HG21      ILE  61   4.360   9.037  -8.183
  460   HG22  ILE  61          HG22      ILE  61   3.641  10.465  -8.933
  461   HG23  ILE  61          HG23      ILE  61   3.384   8.872  -9.647
  462   HD11  ILE  61          HD11      ILE  61   1.438   5.933  -8.531
  463   HD12  ILE  61          HD12      ILE  61   2.638   6.873  -9.417
  464   HD13  ILE  61          HD13      ILE  61   0.957   7.402  -9.380
  465    H    GLN  62           HN       GLN  62   2.847   9.562  -4.057
  466    HA   GLN  62           HA       GLN  62   5.315  11.103  -4.441
  467    HB2  GLN  62           HB2      GLN  62   4.174  10.871  -1.726
  468    HB3  GLN  62           HB1      GLN  62   5.092  12.166  -2.489
  469    HG2  GLN  62           HG2      GLN  62   2.888  12.429  -3.879
  470    HG3  GLN  62           HG1      GLN  62   2.192  11.684  -2.428
  471   HE21  GLN  62          HE21      GLN  62   1.103  13.630  -2.014
  472   HE22  GLN  62          HE22      GLN  62   1.925  14.998  -1.309
  473    H    CYS  63           HN       CYS  63   3.856   8.372  -2.779
  474    HA   CYS  63           HA       CYS  63   6.570   7.582  -2.089
  475    HB2  CYS  63           HB2      CYS  63   5.853   6.439  -0.104
  476    HB3  CYS  63           HB1      CYS  63   5.301   8.110   0.006
  477    H    GLN  64           HN       GLN  64   6.726   5.176  -2.082
  478    HA   GLN  64           HA       GLN  64   4.813   3.981  -3.906
  479    HB2  GLN  64           HB2      GLN  64   7.796   3.971  -4.369
  480    HB3  GLN  64           HB1      GLN  64   6.612   3.008  -5.255
  481    HG2  GLN  64           HG2      GLN  64   5.512   5.003  -6.011
  482    HG3  GLN  64           HG1      GLN  64   6.665   5.974  -5.092
  483   HE21  GLN  64          HE21      GLN  64   6.102   5.867  -8.006
  484   HE22  GLN  64          HE22      GLN  64   7.627   5.556  -8.753
  485    H    VAL  65           HN       VAL  65   5.069   1.509  -3.736
  486    HA   VAL  65           HA       VAL  65   5.818   1.345  -0.993
  487    HB   VAL  65           HB       VAL  65   3.251   0.528  -2.089
  488   HG11  VAL  65          HG11      VAL  65   4.626  -1.403  -0.221
  489   HG12  VAL  65          HG12      VAL  65   4.268  -1.715  -1.919
  490   HG13  VAL  65          HG13      VAL  65   2.951  -1.484  -0.769
  491   HG21  VAL  65          HG21      VAL  65   2.605   0.727   0.263
  492   HG22  VAL  65          HG22      VAL  65   3.514   2.131  -0.299
  493   HG23  VAL  65          HG23      VAL  65   4.304   0.909   0.698
  494    H    ASN  66           HN       ASN  66   6.995  -0.531  -0.334
  495    HA   ASN  66           HA       ASN  66   7.714  -2.273  -2.560
  496    HB2  ASN  66           HB2      ASN  66   9.085  -1.792   0.095
  497    HB3  ASN  66           HB1      ASN  66   9.638  -2.963  -1.105
  498   HD21  ASN  66          HD21      ASN  66   8.843  -1.160  -3.326
  499   HD22  ASN  66          HD22      ASN  66  10.076   0.047  -3.386
  500    H    VAL  67           HN       VAL  67   6.937  -4.311  -2.667
  501    HA   VAL  67           HA       VAL  67   5.483  -5.301  -0.315
  502    HB   VAL  67           HB       VAL  67   4.993  -6.047  -3.182
  503   HG11  VAL  67          HG11      VAL  67   3.062  -7.267  -2.318
  504   HG12  VAL  67          HG12      VAL  67   3.511  -6.824  -0.671
  505   HG13  VAL  67          HG13      VAL  67   4.557  -7.883  -1.619
  506   HG21  VAL  67          HG21      VAL  67   3.330  -4.375  -1.305
  507   HG22  VAL  67          HG22      VAL  67   2.870  -4.871  -2.935
  508   HG23  VAL  67          HG23      VAL  67   4.235  -3.781  -2.697
  509    HA   PRO  68           HA       PRO  68   9.041  -8.002  -0.170
  510    HB2  PRO  68           HB2      PRO  68   8.219  -9.264   2.124
  511    HB3  PRO  68           HB1      PRO  68   9.105  -7.736   2.092
  512    HG2  PRO  68           HG2      PRO  68   6.168  -8.220   2.396
  513    HG3  PRO  68           HG1      PRO  68   7.209  -7.066   3.251
  514    HD2  PRO  68           HD2      PRO  68   5.609  -6.299   1.239
  515    HD3  PRO  68           HD1      PRO  68   7.207  -5.568   1.490
  516    H    GLU  69           HN       GLU  69   9.388 -10.273  -0.260
  517    HA   GLU  69           HA       GLU  69   7.474 -11.463  -2.039
  518    HB2  GLU  69           HB2      GLU  69  10.082 -11.473  -2.081
  519    HB3  GLU  69           HB1      GLU  69   9.927 -12.828  -0.976
  520    HG2  GLU  69           HG2      GLU  69  10.188 -13.746  -3.116
  521    HG3  GLU  69           HG1      GLU  69   8.482 -13.930  -2.714
  522    H    THR  70           HN       THR  70   7.478 -11.390   1.223
  523    HA   THR  70           HA       THR  70   6.441 -14.133   1.452
  524    HB   THR  70           HB       THR  70   8.627 -13.861   2.504
  525    HG1  THR  70           HG1      THR  70   7.188 -13.949   4.839
  526   HG21  THR  70          HG21      THR  70   8.550 -11.467   2.950
  527   HG22  THR  70          HG22      THR  70   8.926 -12.358   4.426
  528   HG23  THR  70          HG23      THR  70   7.302 -11.721   4.170
  529    H    ALA  71           HN       ALA  71   5.162 -11.141   1.386
  530    HA   ALA  71           HA       ALA  71   3.815 -11.324   3.993
  531    HB1  ALA  71           HB1      ALA  71   3.327  -8.952   3.822
  532    HB2  ALA  71           HB2      ALA  71   4.128  -8.886   2.252
  533    HB3  ALA  71           HB3      ALA  71   5.063  -9.239   3.704
  534    H    ILE  72           HN       ILE  72   1.623 -11.024   4.126
  535    HA   ILE  72           HA       ILE  72  -0.015 -10.842   1.760
  536    HB   ILE  72           HB       ILE  72   0.746 -13.243   2.012
  537   HG12  ILE  72          HG12      ILE  72  -1.528 -14.194   1.645
  538   HG13  ILE  72          HG11      ILE  72  -2.226 -12.677   2.200
  539   HG21  ILE  72          HG21      ILE  72   0.748 -13.432   4.400
  540   HG22  ILE  72          HG22      ILE  72  -0.396 -14.597   3.732
  541   HG23  ILE  72          HG23      ILE  72  -0.984 -13.106   4.468
  542   HD11  ILE  72          HD11      ILE  72  -1.179 -11.514   0.325
  543   HD12  ILE  72          HD12      ILE  72  -2.236 -12.818  -0.219
  544   HD13  ILE  72          HD13      ILE  72  -0.486 -13.039  -0.229
  545    H    SER  73           HN       SER  73  -2.502 -11.042   2.613
  546    HA   SER  73           HA       SER  73  -2.453  -9.584   5.144
  547    HB2  SER  73           HB2      SER  73  -4.093  -8.713   2.770
  548    HB3  SER  73           HB1      SER  73  -4.053  -7.946   4.358
  549    HG   SER  73           HG       SER  73  -1.562  -8.169   3.508
  550    H    ASP  74           HN       ASP  74  -5.442  -9.905   3.264
  551    HA   ASP  74           HA       ASP  74  -7.481 -10.630   3.960
  552    HB2  ASP  74           HB2      ASP  74  -6.387 -12.866   3.973
  553    HB3  ASP  74           HB1      ASP  74  -5.939 -12.613   5.654
  554    H    GLN  75           HN       GLN  75  -5.622  -8.811   5.540
  555    HA   GLN  75           HA       GLN  75  -7.244  -8.088   7.694
  556    HB2  GLN  75           HB2      GLN  75  -5.638  -8.722   9.536
  557    HB3  GLN  75           HB1      GLN  75  -6.525 -10.062   8.827
  558    HG2  GLN  75           HG2      GLN  75  -4.527 -10.530   7.404
  559    HG3  GLN  75           HG1      GLN  75  -3.658  -9.305   8.325
  560   HE21  GLN  75          HE21      GLN  75  -6.014 -11.498   9.720
  561   HE22  GLN  75          HE22      GLN  75  -4.883 -12.394  10.683
  562    H    GLN  76           HN       GLN  76  -4.999  -7.191   9.324
  563    HA   GLN  76           HA       GLN  76  -4.022  -4.972   7.803
  564    HB2  GLN  76           HB2      GLN  76  -3.399  -5.995  10.569
  565    HB3  GLN  76           HB1      GLN  76  -2.532  -4.640   9.865
  566    HG2  GLN  76           HG2      GLN  76  -4.722  -3.486   9.592
  567    HG3  GLN  76           HG1      GLN  76  -5.461  -4.802  10.502
  568   HE21  GLN  76          HE21      GLN  76  -3.125  -5.119  12.219
  569   HE22  GLN  76          HE22      GLN  76  -3.148  -3.771  13.314
  570    H    LEU  77           HN       LEU  77  -2.061  -4.639   6.917
  571    HA   LEU  77           HA       LEU  77   0.047  -6.590   7.392
  572    HB2  LEU  77           HB2      LEU  77  -0.995  -7.130   5.163
  573    HB3  LEU  77           HB1      LEU  77  -0.599  -5.508   4.633
  574    HG   LEU  77           HG       LEU  77   1.798  -6.010   4.893
  575   HD11  LEU  77          HD11      LEU  77   1.654  -7.664   6.668
  576   HD12  LEU  77          HD12      LEU  77   2.517  -8.319   5.277
  577   HD13  LEU  77          HD13      LEU  77   0.843  -8.788   5.576
  578   HD21  LEU  77          HD21      LEU  77   1.983  -7.542   2.999
  579   HD22  LEU  77          HD22      LEU  77   0.711  -6.349   2.739
  580   HD23  LEU  77          HD23      LEU  77   0.291  -7.998   3.199
  581    H    LEU  78           HN       LEU  78   2.069  -5.197   6.038
  582    HA   LEU  78           HA       LEU  78   1.585  -2.482   6.615
  583    HB2  LEU  78           HB2      LEU  78   3.643  -2.163   8.054
  584    HB3  LEU  78           HB1      LEU  78   2.259  -2.920   8.824
  585    HG   LEU  78           HG       LEU  78   3.546  -5.139   8.137
  586   HD11  LEU  78          HD11      LEU  78   5.970  -4.849   8.425
  587   HD12  LEU  78          HD12      LEU  78   5.749  -3.099   8.397
  588   HD13  LEU  78          HD13      LEU  78   5.366  -4.059   6.969
  589   HD21  LEU  78          HD21      LEU  78   2.891  -4.460  10.397
  590   HD22  LEU  78          HD22      LEU  78   4.320  -3.431  10.495
  591   HD23  LEU  78          HD23      LEU  78   4.500  -5.181  10.366
  592    H    LEU  79           HN       LEU  79   3.041  -1.086   5.485
  593    HA   LEU  79           HA       LEU  79   4.927  -2.461   3.740
  594    HB2  LEU  79           HB2      LEU  79   2.504  -0.994   2.783
  595    HB3  LEU  79           HB1      LEU  79   3.958  -0.986   1.813
  596    HG   LEU  79           HG       LEU  79   2.641  -2.693   0.913
  597   HD11  LEU  79          HD11      LEU  79   4.956  -3.359   1.230
  598   HD12  LEU  79          HD12      LEU  79   3.871  -4.745   1.343
  599   HD13  LEU  79          HD13      LEU  79   4.554  -4.039   2.808
  600   HD21  LEU  79          HD21      LEU  79   1.594  -4.474   2.220
  601   HD22  LEU  79          HD22      LEU  79   0.990  -2.881   2.675
  602   HD23  LEU  79          HD23      LEU  79   2.157  -3.710   3.707
  603    HA   PRO  80           HA       PRO  80   7.110   1.426   4.179
  604    HB2  PRO  80           HB2      PRO  80   9.226   0.809   2.635
  605    HB3  PRO  80           HB1      PRO  80   9.014   0.120   4.249
  606    HG2  PRO  80           HG2      PRO  80   8.537  -1.110   1.579
  607    HG3  PRO  80           HG1      PRO  80   9.145  -1.856   3.071
  608    HD2  PRO  80           HD2      PRO  80   6.533  -2.026   2.118
  609    HD3  PRO  80           HD1      PRO  80   7.049  -2.364   3.779
  610    H    CYS  81           HN       CYS  81   6.658   3.229   3.117
  611    HA   CYS  81           HA       CYS  81   6.061   3.102   0.216
  612    HB2  CYS  81           HB2      CYS  81   4.395   3.956   2.241
  613    HB3  CYS  81           HB1      CYS  81   5.159   5.468   1.749
  614    H    THR  82           HN       THR  82   8.151   3.558  -0.518
  615    HA   THR  82           HA       THR  82   9.903   5.387   0.875
  616    HB   THR  82           HB       THR  82  10.873   3.431  -0.223
  617    HG1  THR  82           HG1      THR  82  11.627   5.819  -1.597
  618   HG21  THR  82          HG21      THR  82   9.297   3.153  -2.055
  619   HG22  THR  82          HG22      THR  82  10.945   3.258  -2.674
  620   HG23  THR  82          HG23      THR  82   9.866   4.649  -2.793
  621    HA   PRO  83           HA       PRO  83   8.659   9.125  -1.185
  622    HB2  PRO  83           HB2      PRO  83  11.131  10.347  -1.305
  623    HB3  PRO  83           HB1      PRO  83  10.070  10.363   0.106
  624    HG2  PRO  83           HG2      PRO  83  12.430   8.623  -0.470
  625    HG3  PRO  83           HG1      PRO  83  11.938   9.380   1.057
  626    HD2  PRO  83           HD2      PRO  83  11.494   6.777   0.575
  627    HD3  PRO  83           HD1      PRO  83  10.331   7.762   1.487
  628    H    GLN  84           HN       GLN  84   8.596   9.920  -3.264
  629    HA   GLN  84           HA       GLN  84   9.507   8.377  -5.319
  630    HB2  GLN  84           HB2      GLN  84   8.824  10.187  -6.845
  631    HB3  GLN  84           HB1      GLN  84   7.625   9.881  -5.593
  632    HG2  GLN  84           HG2      GLN  84   8.304  11.848  -4.392
  633    HG3  GLN  84           HG1      GLN  84   9.644  12.114  -5.503
  634   HE21  GLN  84          HE21      GLN  84   6.457  11.079  -6.514
  635   HE22  GLN  84          HE22      GLN  84   6.038  12.549  -7.344
  636    H    LYS  85           HN       LYS  85  11.152  11.127  -3.867
  637    HA   LYS  85           HA       LYS  85  13.392  10.574  -5.634
  638    HB2  LYS  85           HB2      LYS  85  11.985  12.678  -6.355
  639    HB3  LYS  85           HB1      LYS  85  12.843  13.447  -5.028
  640    HG2  LYS  85           HG2      LYS  85  14.176  13.946  -6.846
  641    HG3  LYS  85           HG1      LYS  85  14.968  12.519  -6.179
  642    HD2  LYS  85           HD2      LYS  85  12.981  12.473  -8.452
  643    HD3  LYS  85           HD1      LYS  85  14.732  12.469  -8.658
  644    HE2  LYS  85           HE2      LYS  85  14.928  10.337  -7.618
  645    HE3  LYS  85           HE1      LYS  85  13.255  10.381  -7.067
  646    HZ1  LYS  85           HZ1      LYS  85  12.638  10.419  -9.494
  647    HZ2  LYS  85           HZ2      LYS  85  13.287   8.966  -8.916
  648    HZ3  LYS  85           HZ3      LYS  85  14.253  10.014  -9.836