*HEADER    STRUCTURAL PROTEIN                      30-APR-19   6RK3              
*TITLE     SOLUTION STRUCTURE OF THE RIBOSOME ELONGATION FACTOR P (EF-P) FROM    
*TITLE    2 STAPHYLOCOCCUS AUREUS                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ELONGATION FACTOR P;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: EF-P;                                                       
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS;                          
*SOURCE   3 ORGANISM_TAXID: 1280;                                                
*SOURCE   4 GENE: EFP, EFP_1, BN1321_260166, BTN44_04530, CSC83_09570,           
*SOURCE   5 CSC87_09360, CV021_16705, EP54_01240, EQ90_12570, ERS072840_00894,   
*SOURCE   6 HMPREF3211_01680, M1K003_1282, NCTC10654_01594, NCTC13131_01960,     
*SOURCE   7 NCTC13196_02506, NCTC6133_02039, NCTC7878_01463, RK64_08215,         
*SOURCE   8 SAMEA1466939_00955, SAMEA1708674_01996;                              
*SOURCE   9 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE  10 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    EF-P, STAPHYLOCOCCUS AUREUS, RIBOSOME, STRUCTURAL PROTEIN             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    K.USACHEV,B.FATKHULLIN,A.GABDULKHAKOV,I.KHUSAINOV,A.GOLUBEV,          
*AUTHOR   2 S.VALIDOV,G.YUSUPOVA,M.YUSUPOV                                       
*REVDAT   1   11-MAR-20 6RK3    0                                                
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assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   	158	and name N  )
     ( resid 	158	and name HN )    0.301		0.200
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   	159	and name N  )
     ( resid 	159	and name HN )   -0.816		0.200
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   	161	and name N  )
     ( resid 	161	and name HN )   -2.697		0.200
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   	162	and name N  )
     ( resid 	162	and name HN )   -0.019		0.200
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   	164	and name N  )
     ( resid 	164	and name HN )    0.106		0.200
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   	165	and name N  )
     ( resid 	165	and name HN )   -2.412		0.200
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   	166	and name N  )
     ( resid 	166	and name HN )   -0.832		0.200
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   	167	and name N  )
     ( resid 	167	and name HN )   -0.470		0.200
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   	168	and name N  )
     ( resid 	168	and name HN )   -0.937		0.200
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   	169	and name N  )
     ( resid 	169	and name HN )   -1.619		0.200
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   	170	and name N  )
     ( resid 	170	and name HN )    0.939		0.200
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   	171	and name N  )
     ( resid 	171	and name HN )    0.966		0.200
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   	172	and name N  )
     ( resid 	172	and name HN )   -0.558		0.200
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   	173	and name N  )
     ( resid 	173	and name HN )   -0.249		0.200
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   	174	and name N  )
     ( resid 	174	and name HN )   -0.249		0.200
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   	176	and name N  )
     ( resid 	176	and name HN )    0.447		0.200
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   	177	and name N  )
     ( resid 	177	and name HN )    0.916		0.200
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   	178	and name N  )
     ( resid 	178	and name HN )   -0.992		0.200
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   	179	and name N  )
     ( resid 	179	and name HN )   -0.041		0.200
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   	180	and name N  )
     ( resid 	180	and name HN )   -0.928		0.200
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   	181	and name N  )
     ( resid 	181	and name HN )    2.310		0.200
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   	182	and name N  )
     ( resid 	182	and name HN )    0.981		0.200
END								
# Restraints file 2: 13Cnoesy.tbl
 ASSI {   27}
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 11   and name  HB2 ))
      3.446     1.723     1.723 peak    27 weight  1.00000E+00 volume  5.47144E+05 ppm1      1.377 ppm2      7.971

 ASSI {   28}
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 11   and name  HB2 ))
      2.943     1.223     1.472 peak    28 weight  1.00000E+00 volume  1.40837E+06 ppm1      1.379 ppm2      7.151

 ASSI {   29}
   (( segid "   A" and resid 11   and name  HB2 ))
   (( segid "   A" and resid 8    and name  HN  ))
      3.765     1.882     1.882 peak    29 weight  1.00000E+00 volume  2.62735E+04 ppm1      1.369 ppm2      6.140

 ASSI {   30}
   (( segid "   A" and resid 11   and name  HA  ))
   (( segid "   A" and resid 11   and name  HB2 ))
      3.088     1.368     1.544 peak    30 weight  1.00000E+00 volume  1.05513E+06 ppm1      1.367 ppm2      4.234

 ASSI {   34}
   (( segid "   A" and resid 14   and name  HB2 ))
   (( segid "   A" and resid 14   and name  HB1 ))
      2.776     1.056     1.388 peak    34 weight  1.00000E+00 volume  1.19720E+05 ppm1      3.484 ppm2      3.700

 ASSI {   38}
   (( segid "   A" and resid 14   and name  HB2 ))
   (( segid "   A" and resid 13   and name  HA  ))
      3.784     1.892     1.892 peak    38 weight  1.00000E+00 volume  2.61372E+04 ppm1      3.490 ppm2      5.054

 ASSI {   39}
   (( segid "   A" and resid 14   and name  HB2 ))
   (( segid "   A" and resid 14   and name  HA  ))
      3.330     1.610     1.665 peak    39 weight  1.00000E+00 volume  4.08014E+04 ppm1      3.481 ppm2      5.609

 ASSI {   40}
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 14   and name  HB2 ))
      3.505     1.753     1.753 peak    40 weight  1.00000E+00 volume  4.93473E+05 ppm1      3.492 ppm2      8.832

 ASSI {   41}
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 14   and name  HB1 ))
      3.306     1.586     1.653 peak    41 weight  1.00000E+00 volume  7.00678E+05 ppm1      3.689 ppm2      8.838

 ASSI {   42}
   (( segid "   A" and resid 14   and name  HB1 ))
   (( segid "   A" and resid 14   and name  HA  ))
      3.571     1.786     1.786 peak    42 weight  1.00000E+00 volume  4.41471E+05 ppm1      3.695 ppm2      5.599

 ASSI {   43}
   (( segid "   A" and resid 14   and name  HB1 ))
   (( segid "   A" and resid 13   and name  HA  ))
      3.840     1.920     1.920 peak    43 weight  1.00000E+00 volume  2.85353E+05 ppm1      3.692 ppm2      5.055

 ASSI {   44}
   (( segid "   A" and resid 14   and name  HB2 ))
   (( segid "   A" and resid 14   and name  HB1 ))
      2.670     0.950     1.335 peak    44 weight  1.00000E+00 volume  1.34962E+05 ppm1      3.694 ppm2      3.490

 ASSI {   47}
   (( segid "   A" and resid 14   and name  HB2 ))
   (( segid "   A" and resid 14   and name  HA  ))
      4.020     2.010     2.010 peak    47 weight  1.00000E+00 volume  1.84148E+04 ppm1      5.607 ppm2      3.490

 ASSI {   48}
   (( segid "   A" and resid 14   and name  HB1 ))
   (( segid "   A" and resid 14   and name  HA  ))
      3.490     1.745     1.745 peak    48 weight  1.00000E+00 volume  2.09691E+04 ppm1      5.593 ppm2      3.694

 ASSI {   49}
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 14   and name  HA  ))
      3.325     1.605     1.662 peak    49 weight  1.00000E+00 volume  4.29511E+04 ppm1      5.595 ppm2      5.090

 ASSI {   50}
   (( segid "   A" and resid 20   and name  HD1 ))
   (( segid "   A" and resid 14   and name  HA  ))
      3.637     1.818     1.818 peak    50 weight  1.00000E+00 volume  2.66871E+04 ppm1      5.598 ppm2      7.105

 ASSI {   51}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 14   and name  HA  ))
      3.115     1.395     1.558 peak    51 weight  1.00000E+00 volume  1.00185E+06 ppm1      5.598 ppm2      8.631

 ASSI {   52}
   (( segid "   A" and resid 13   and name  HA  ))
   (  segid "   A" and resid 13   and name  HD1#)
      3.011     1.291     1.506 peak    52 weight  1.00000E+00 volume  1.22817E+06 ppm1      5.030 ppm2      0.468

 ASSI {   56}
   (( segid "   A" and resid 13   and name  HA  ))
   (  segid "   A" and resid 13   and name  HD1#)
      2.799     1.079     1.399 peak    56 weight  1.00000E+00 volume  1.18199E+05 ppm1      0.458 ppm2      5.026

 ASSI {   58}
   (( segid "   A" and resid 13   and name  HA  ))
   (( segid "   A" and resid 63   and name  HN  ))
      3.364     1.644     1.682 peak    58 weight  1.00000E+00 volume  4.09764E+04 ppm1      5.035 ppm2      7.829

 ASSI {   60}
   (  segid "   A" and resid 13   and name  HD1#)
   (( segid "   A" and resid 12   and name  HN  ))
      4.115     2.057     2.057 peak    60 weight  1.00000E+00 volume  3.41676E+04 ppm1      0.459 ppm2      7.981

 ASSI {   61}
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 13   and name  HA  ))
      3.120     1.400     1.560 peak    61 weight  1.00000E+00 volume  5.55165E+04 ppm1      5.029 ppm2      8.835

 ASSI {   62}
   (( segid "   A" and resid 14   and name  HN  ))
   (  segid "   A" and resid 13   and name  HD1#)
      3.047     1.327     1.524 peak    62 weight  1.00000E+00 volume  8.24344E+04 ppm1      0.459 ppm2      8.837

 ASSI {   63}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 12   and name  HA  ))
      3.087     1.367     1.544 peak    63 weight  1.00000E+00 volume  6.82839E+04 ppm1      5.642 ppm2      9.078

 ASSI {   64}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 12   and name  HB  ))
      3.313     1.593     1.656 peak    64 weight  1.00000E+00 volume  4.38901E+04 ppm1      3.977 ppm2      9.061

 ASSI {   65}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 12   and name  HA  ))
      3.471     1.735     1.735 peak    65 weight  1.00000E+00 volume  3.08110E+04 ppm1      5.642 ppm2      8.927

 ASSI {   68}
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 12   and name  HA  ))
      3.794     1.897     1.897 peak    68 weight  1.00000E+00 volume  3.06989E+05 ppm1      5.636 ppm2      7.972

 ASSI {   69}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 12   and name  HB  ))
      3.140     1.420     1.570 peak    69 weight  1.00000E+00 volume  9.54610E+05 ppm1      3.971 ppm2      5.630

 ASSI {   70}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 12   and name  HB  ))
      3.239     1.519     1.620 peak    70 weight  1.00000E+00 volume  7.92631E+05 ppm1      5.638 ppm2      3.973

 ASSI {   71}
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 12   and name  HA  ))
      3.388     1.668     1.694 peak    71 weight  1.00000E+00 volume  6.05600E+05 ppm1      5.631 ppm2      5.245

 ASSI {   77}
   (  segid "   A" and resid 13   and name  HD1#)
   (( segid "   A" and resid 12   and name  HA  ))
      3.812     1.906     1.906 peak    77 weight  1.00000E+00 volume  2.98251E+05 ppm1      5.635 ppm2      0.479

 ASSI {   79}
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 11   and name  HA  ))
      2.863     1.143     1.432 peak    79 weight  1.00000E+00 volume  1.31094E+05 ppm1      4.225 ppm2      7.972

 ASSI {   80}
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 11   and name  HA  ))
      2.763     1.043     1.381 peak    80 weight  1.00000E+00 volume  1.60265E+05 ppm1      4.239 ppm2      7.133

 ASSI {   81}
   (( segid "   A" and resid 22   and name  HB  ))
   (( segid "   A" and resid 11   and name  HB2 ))
      3.480     1.740     1.740 peak    81 weight  1.00000E+00 volume  4.57469E+04 ppm1      1.370 ppm2      2.159

 ASSI {   84}
   (( segid "   A" and resid 10   and name  HA2 ))
   (( segid "   A" and resid 10   and name  HA1 ))
      3.524     1.762     1.762 peak    84 weight  1.00000E+00 volume  4.78049E+05 ppm1      3.814 ppm2      4.423

 ASSI {   93}
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 7    and name  HA  ))
      3.529     1.764     1.764 peak    93 weight  1.00000E+00 volume  4.74121E+05 ppm1      3.792 ppm2      7.072

 ASSI {   94}
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 7    and name  HB2 ))
      3.320     1.600     1.660 peak    94 weight  1.00000E+00 volume  2.93154E+04 ppm1      2.420 ppm2      7.067

 ASSI {   95}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 7    and name  HA  ))
      3.490     1.745     1.745 peak    95 weight  1.00000E+00 volume  2.70702E+04 ppm1      3.799 ppm2      7.933

 ASSI {   97}
   (( segid "   A" and resid 7    and name  HA  ))
   (  segid "   A" and resid 7    and name  HE# )
      3.117     1.397     1.559 peak    97 weight  1.00000E+00 volume  9.97990E+05 ppm1      3.795 ppm2      6.558

 ASSI {   98}
   (( segid "   A" and resid 8    and name  HN  ))
   (( segid "   A" and resid 7    and name  HA  ))
      2.888     1.168     1.444 peak    98 weight  1.00000E+00 volume  1.57807E+06 ppm1      3.795 ppm2      6.126

 ASSI {  100}
   (( segid "   A" and resid 5    and name  HA  ))
   (( segid "   A" and resid 5    and name  HB2 ))
      3.276     1.556     1.638 peak   100 weight  1.00000E+00 volume  7.41263E+05 ppm1      2.476 ppm2      4.284

 ASSI {  107}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 15   and name  HA  ))
      3.250     1.530     1.625 peak   107 weight  1.00000E+00 volume  5.63529E+04 ppm1      4.502 ppm2      8.633

 ASSI {  108}
   (( segid "   A" and resid 15   and name  HA  ))
   (( segid "   A" and resid 17   and name  HN  ))
      3.971     1.986     1.986 peak   108 weight  1.00000E+00 volume  2.60661E+04 ppm1      4.509 ppm2      8.860

 ASSI {  111}
   (( segid "   A" and resid 17   and name  HB2 ))
   (( segid "   A" and resid 17   and name  HB1 ))
      2.221     0.501     1.111 peak   111 weight  1.00000E+00 volume  5.15079E+05 ppm1      3.114 ppm2      2.907

 ASSI {  112}
   (( segid "   A" and resid 17   and name  HB2 ))
   (( segid "   A" and resid 17   and name  HB1 ))
      2.213     0.493     1.107 peak   112 weight  1.00000E+00 volume  5.24576E+05 ppm1      2.903 ppm2      3.117

 ASSI {  113}
   (( segid "   A" and resid 17   and name  HB1 ))
   (( segid "   A" and resid 17   and name  HN  ))
      3.917     1.959     1.959 peak   113 weight  1.00000E+00 volume  2.49738E+04 ppm1      2.902 ppm2      8.866

 ASSI {  114}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 17   and name  HB1 ))
      3.709     1.854     1.854 peak   114 weight  1.00000E+00 volume  2.90642E+04 ppm1      2.900 ppm2      7.883

 ASSI {  117}
   (( segid "   A" and resid 17   and name  HB1 ))
   (( segid "   A" and resid 17   and name  HA  ))
      2.924     1.204     1.462 peak   117 weight  1.00000E+00 volume  8.66051E+04 ppm1      2.900 ppm2      4.297

 ASSI {  118}
   (( segid "   A" and resid 17   and name  HB2 ))
   (( segid "   A" and resid 17   and name  HA  ))
      2.805     1.085     1.403 peak   118 weight  1.00000E+00 volume  1.87853E+06 ppm1      3.119 ppm2      4.290

 ASSI {  120}
   (( segid "   A" and resid 18   and name  HA  ))
   (  segid "   A" and resid 18   and name  HB# )
      2.646     0.926     1.323 peak   120 weight  1.00000E+00 volume  2.66698E+06 ppm1      4.485 ppm2      1.110

 ASSI {  123}
   (( segid "   A" and resid 19   and name  HN  ))
   (( segid "   A" and resid 18   and name  HA  ))
      2.879     1.159     1.439 peak   123 weight  1.00000E+00 volume  7.92416E+04 ppm1      4.487 ppm2      7.546

 ASSI {  124}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 18   and name  HA  ))
      3.385     1.665     1.693 peak   124 weight  1.00000E+00 volume  2.44545E+04 ppm1      4.482 ppm2      7.881

 ASSI {  125}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 19   and name  HA  ))
      3.181     1.461     1.591 peak   125 weight  1.00000E+00 volume  8.82922E+05 ppm1      5.086 ppm2      8.961

 ASSI {  126}
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 20   and name  HD1 ))
      3.693     1.846     1.846 peak   126 weight  1.00000E+00 volume  3.61150E+05 ppm1      5.084 ppm2      7.101

 ASSI {  127}
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 14   and name  HA  ))
      3.287     1.567     1.644 peak   127 weight  1.00000E+00 volume  7.25562E+05 ppm1      5.087 ppm2      5.597

 ASSI {  128}
   (( segid "   A" and resid 19   and name  HA  ))
   (  segid "   A" and resid 18   and name  HB# )
      3.185     1.465     1.593 peak   128 weight  1.00000E+00 volume  8.76380E+05 ppm1      5.090 ppm2      1.139

 ASSI {  130}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 21   and name  HB2 ))
      3.461     1.730     1.730 peak   130 weight  1.00000E+00 volume  5.32676E+05 ppm1      5.533 ppm2      1.560

 ASSI {  131}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 43   and name  HA  ))
      3.533     1.766     1.766 peak   131 weight  1.00000E+00 volume  4.70929E+05 ppm1      5.540 ppm2      3.956

 ASSI {  132}
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 20   and name  HA  ))
      3.691     1.846     1.846 peak   132 weight  1.00000E+00 volume  3.62052E+05 ppm1      5.533 ppm2      8.374

 ASSI {  133}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 21   and name  HA  ))
      2.584     0.864     1.292 peak   133 weight  1.00000E+00 volume  3.07738E+06 ppm1      5.210 ppm2      9.096

 ASSI {  136}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 21   and name  HB1 ))
      3.541     1.770     1.770 peak   136 weight  1.00000E+00 volume  4.64508E+05 ppm1      1.672 ppm2      8.925

 ASSI {  142}
   (( segid "   A" and resid 22   and name  HB  ))
   (  segid "   A" and resid 22   and name  HG2#)
      3.380     1.660     1.690 peak   142 weight  1.00000E+00 volume  6.52694E+04 ppm1      2.157 ppm2      0.337

 ASSI {  143}
   (( segid "   A" and resid 22   and name  HB  ))
   (( segid "   A" and resid 11   and name  HB2 ))
      3.571     1.786     1.786 peak   143 weight  1.00000E+00 volume  3.11200E+04 ppm1      2.157 ppm2      1.391

 ASSI {  145}
   (( segid "   A" and resid 22   and name  HB  ))
   (  segid "   A" and resid 22   and name  HG2#)
      2.723     1.003     1.361 peak   145 weight  1.00000E+00 volume  1.97086E+05 ppm1      0.323 ppm2      2.166

 ASSI {  147}
   (( segid "   A" and resid 22   and name  HN  ))
   (  segid "   A" and resid 22   and name  HG2#)
      2.764     1.044     1.382 peak   147 weight  1.00000E+00 volume  1.77669E+05 ppm1      0.330 ppm2      8.917

 ASSI {  148}
   (( segid "   A" and resid 23   and name  HN  ))
   (  segid "   A" and resid 22   and name  HG2#)
      3.165     1.445     1.582 peak   148 weight  1.00000E+00 volume  6.45111E+04 ppm1      0.325 ppm2      9.098

 ASSI {  149}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 23   and name  HB  ))
      3.278     1.558     1.639 peak   149 weight  1.00000E+00 volume  5.86396E+04 ppm1      1.916 ppm2      9.089

 ASSI {  150}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 23   and name  HB  ))
      3.146     1.426     1.573 peak   150 weight  1.00000E+00 volume  6.49675E+04 ppm1      1.914 ppm2      8.012

 ASSI {  151}
   (( segid "   A" and resid 23   and name  HA  ))
   (( segid "   A" and resid 23   and name  HB  ))
      3.211     1.491     1.605 peak   151 weight  1.00000E+00 volume  5.82836E+04 ppm1      1.922 ppm2      4.399

 ASSI {  154}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 23   and name  HG12))
      3.357     1.637     1.678 peak   154 weight  1.00000E+00 volume  3.73092E+04 ppm1      1.255 ppm2      8.042

 ASSI {  155}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 23   and name  HG12))
      3.382     1.662     1.691 peak   155 weight  1.00000E+00 volume  4.00558E+04 ppm1      1.263 ppm2      9.087

 ASSI {  156}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 23   and name  HG11))
      3.361     1.641     1.681 peak   156 weight  1.00000E+00 volume  4.65781E+04 ppm1      1.353 ppm2      9.089

 ASSI {  157}
   (( segid "   A" and resid 42   and name  HA  ))
   (( segid "   A" and resid 23   and name  HG11))
      3.639     1.819     1.819 peak   157 weight  1.00000E+00 volume  3.94437E+05 ppm1      1.355 ppm2      5.347

 ASSI {  159}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 24   and name  HA  ))
      3.096     1.376     1.548 peak   159 weight  1.00000E+00 volume  5.86820E+04 ppm1      4.789 ppm2      7.963

 ASSI {  164}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 25   and name  HA  ))
      3.028     1.308     1.514 peak   164 weight  1.00000E+00 volume  1.18838E+06 ppm1      5.456 ppm2      8.716

 ASSI {  168}
   (( segid "   A" and resid 26   and name  HA  ))
   (( segid "   A" and resid 26   and name  HB2 ))
      2.754     1.034     1.377 peak   168 weight  1.00000E+00 volume  2.09862E+06 ppm1      5.196 ppm2      1.832

 ASSI {  171}
   (( segid "   A" and resid 27   and name  HA  ))
   (( segid "   A" and resid 27   and name  HB2 ))
      2.931     1.211     1.466 peak   171 weight  1.00000E+00 volume  1.44360E+06 ppm1      4.813 ppm2      2.953

 ASSI {  175}
   (( segid "   A" and resid 28   and name  HA  ))
   (  segid "   A" and resid 28   and name  HG1#)
      2.857     1.137     1.428 peak   175 weight  1.00000E+00 volume  8.61239E+04 ppm1      3.946 ppm2      0.605

 ASSI {  177}
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 36   and name  HA  ))
      3.032     1.312     1.516 peak   177 weight  1.00000E+00 volume  8.30235E+04 ppm1      5.174 ppm2      9.311

 ASSI {  180}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 36   and name  HA  ))
      3.716     1.858     1.858 peak   180 weight  1.00000E+00 volume  2.26214E+04 ppm1      5.176 ppm2      7.991

 ASSI {  181}
   (( segid "   A" and resid 36   and name  HA  ))
   (  segid "   A" and resid 36   and name  HD# )
      3.550     1.775     1.775 peak   181 weight  1.00000E+00 volume  2.58562E+04 ppm1      5.180 ppm2      7.063

 ASSI {  183}
   (( segid "   A" and resid 36   and name  HA  ))
   (( segid "   A" and resid 36   and name  HB2 ))
      3.014     1.294     1.507 peak   183 weight  1.00000E+00 volume  7.19694E+04 ppm1      5.177 ppm2      3.035

 ASSI {  184}
   (( segid "   A" and resid 36   and name  HA  ))
   (( segid "   A" and resid 36   and name  HB2 ))
      3.637     1.819     1.819 peak   184 weight  1.00000E+00 volume  3.95388E+05 ppm1      3.016 ppm2      5.191

 ASSI {  185}
   (  segid "   A" and resid 36   and name  HD# )
   (( segid "   A" and resid 36   and name  HB2 ))
      3.199     1.479     1.600 peak   185 weight  1.00000E+00 volume  8.53573E+05 ppm1      3.011 ppm2      7.071

 ASSI {  186}
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 37   and name  HA  ))
      2.960     1.240     1.480 peak   186 weight  1.00000E+00 volume  7.17144E+04 ppm1      4.832 ppm2      8.889

 ASSI {  189}
   (( segid "   A" and resid 37   and name  HA  ))
   (  segid "   A" and resid 37   and name  HG1#)
      2.836     1.116     1.418 peak   189 weight  1.00000E+00 volume  9.31314E+04 ppm1      4.838 ppm2      0.572

 ASSI {  190}
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 38   and name  HA  ))
      2.874     1.154     1.437 peak   190 weight  1.00000E+00 volume  1.62409E+06 ppm1      4.906 ppm2      9.005

 ASSI {  191}
   (( segid "   A" and resid 53   and name  HA  ))
   (( segid "   A" and resid 38   and name  HA  ))
      3.632     1.816     1.816 peak   191 weight  1.00000E+00 volume  3.99108E+05 ppm1      4.907 ppm2      5.193

 ASSI {  192}
   (( segid "   A" and resid 38   and name  HA  ))
   (( segid "   A" and resid 38   and name  HB2 ))
      3.071     1.351     1.535 peak   192 weight  1.00000E+00 volume  1.09172E+06 ppm1      4.910 ppm2      1.894

 ASSI {  193}
   (( segid "   A" and resid 38   and name  HA  ))
   (( segid "   A" and resid 38   and name  HB1 ))
      3.335     1.615     1.668 peak   193 weight  1.00000E+00 volume  3.44616E+04 ppm1      4.893 ppm2      1.701

 ASSI {  195}
   (( segid "   A" and resid 38   and name  HA  ))
   (  segid "   A" and resid 28   and name  HG1#)
      3.302     1.582     1.651 peak   195 weight  1.00000E+00 volume  3.34065E+04 ppm1      4.904 ppm2      0.558

 ASSI {  196}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 39   and name  HA  ))
      3.070     1.350     1.535 peak   196 weight  1.00000E+00 volume  5.53976E+04 ppm1      5.390 ppm2      8.611

 ASSI {  197}
   (( segid "   A" and resid 39   and name  HA  ))
   (( segid "   A" and resid 39   and name  HB2 ))
      3.150     1.430     1.575 peak   197 weight  1.00000E+00 volume  4.21078E+04 ppm1      5.385 ppm2      3.967

 ASSI {  200}
   (( segid "   A" and resid 39   and name  HA  ))
   (( segid "   A" and resid 39   and name  HB2 ))
      3.219     1.499     1.609 peak   200 weight  1.00000E+00 volume  5.13184E+04 ppm1      3.905 ppm2      5.390

 ASSI {  201}
   (  segid "   A" and resid 54   and name  HE# )
   (( segid "   A" and resid 39   and name  HB2 ))
      3.916     1.958     1.958 peak   201 weight  1.00000E+00 volume  1.98328E+04 ppm1      3.911 ppm2      7.169

 ASSI {  203}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 39   and name  HB2 ))
      3.442     1.721     1.721 peak   203 weight  1.00000E+00 volume  3.29616E+04 ppm1      3.900 ppm2      8.612

 ASSI {  206}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 40   and name  HB2 ))
      3.371     1.651     1.686 peak   206 weight  1.00000E+00 volume  6.23476E+05 ppm1      1.583 ppm2      8.605

 ASSI {  211}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 41   and name  HA  ))
      3.320     1.600     1.660 peak   211 weight  1.00000E+00 volume  6.84131E+05 ppm1      5.328 ppm2      9.078

 ASSI {  212}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 41   and name  HA  ))
      2.970     1.250     1.485 peak   212 weight  1.00000E+00 volume  1.33475E+06 ppm1      5.330 ppm2      9.312

 ASSI {  213}
   (  segid "   A" and resid 49   and name  HD1#)
   (( segid "   A" and resid 42   and name  HA  ))
      3.218     1.498     1.609 peak   213 weight  1.00000E+00 volume  4.79154E+04 ppm1      5.347 ppm2      0.820

 ASSI {  214}
   (( segid "   A" and resid 42   and name  HA  ))
   (( segid "   A" and resid 23   and name  HG11))
      3.310     1.590     1.655 peak   214 weight  1.00000E+00 volume  3.50996E+04 ppm1      5.349 ppm2      1.384

 ASSI {  215}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 42   and name  HA  ))
      3.105     1.385     1.553 peak   215 weight  1.00000E+00 volume  3.77084E+04 ppm1      5.346 ppm2      9.318

 ASSI {  216}
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 42   and name  HA  ))
      3.449     1.725     1.725 peak   216 weight  1.00000E+00 volume  5.43773E+05 ppm1      5.347 ppm2      9.725

 ASSI {  220}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 43   and name  HA  ))
      3.731     1.866     1.866 peak   220 weight  1.00000E+00 volume  3.39256E+05 ppm1      3.921 ppm2      5.530

 ASSI {  221}
   (( segid "   A" and resid 20   and name  HD1 ))
   (( segid "   A" and resid 43   and name  HA  ))
      3.810     1.905     1.905 peak   221 weight  1.00000E+00 volume  2.99453E+05 ppm1      3.913 ppm2      7.119

 ASSI {  223}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 43   and name  HA  ))
      3.946     1.973     1.973 peak   223 weight  1.00000E+00 volume  2.42642E+05 ppm1      3.917 ppm2      9.295

 ASSI {  224}
   (( segid "   A" and resid 44   and name  HA  ))
   (  segid "   A" and resid 44   and name  HD1#)
      2.705     0.985     1.353 peak   224 weight  1.00000E+00 volume  2.33456E+06 ppm1      4.013 ppm2      0.798

 ASSI {  226}
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 44   and name  HA  ))
      3.432     1.712     1.716 peak   226 weight  1.00000E+00 volume  4.21702E+04 ppm1      4.007 ppm2      8.364

 ASSI {  228}
   (( segid "   A" and resid 45   and name  HN  ))
   (( segid "   A" and resid 45   and name  HA  ))
      3.403     1.683     1.701 peak   228 weight  1.00000E+00 volume  5.65282E+04 ppm1      4.463 ppm2      8.205

 ASSI {  230}
   (  segid "   A" and resid 46   and name  HG2#)
   (( segid "   A" and resid 46   and name  HB  ))
      2.756     1.036     1.378 peak   230 weight  1.00000E+00 volume  1.61344E+05 ppm1      4.389 ppm2      1.058

 ASSI {  231}
   (  segid "   A" and resid 48   and name  HB# )
   (( segid "   A" and resid 46   and name  HB  ))
      3.470     1.735     1.735 peak   231 weight  1.00000E+00 volume  4.05955E+04 ppm1      4.392 ppm2      1.406

 ASSI {  233}
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 47   and name  HA2 ))
      3.342     1.622     1.671 peak   233 weight  1.00000E+00 volume  2.92734E+04 ppm1      3.647 ppm2      8.320

 ASSI {  234}
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 47   and name  HA1 ))
      3.289     1.569     1.644 peak   234 weight  1.00000E+00 volume  3.56196E+04 ppm1      4.260 ppm2      8.330

 ASSI {  235}
   (( segid "   A" and resid 47   and name  HA2 ))
   (( segid "   A" and resid 47   and name  HA1 ))
      2.791     1.071     1.395 peak   235 weight  1.00000E+00 volume  9.73680E+04 ppm1      3.640 ppm2      4.268

 ASSI {  236}
   (( segid "   A" and resid 47   and name  HA2 ))
   (( segid "   A" and resid 47   and name  HA1 ))
      2.805     1.085     1.402 peak   236 weight  1.00000E+00 volume  1.01759E+05 ppm1      4.267 ppm2      3.652

 ASSI {  237}
   (  segid "   A" and resid 49   and name  HD1#)
   (( segid "   A" and resid 48   and name  HA  ))
      3.575     1.787     1.787 peak   237 weight  1.00000E+00 volume  2.76044E+04 ppm1      4.263 ppm2      0.846

 ASSI {  238}
   (  segid "   A" and resid 48   and name  HB# )
   (( segid "   A" and resid 48   and name  HA  ))
      2.646     0.926     1.323 peak   238 weight  1.00000E+00 volume  1.87183E+05 ppm1      4.264 ppm2      1.403

 ASSI {  240}
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 48   and name  HA  ))
      3.420     1.700     1.710 peak   240 weight  1.00000E+00 volume  4.39212E+04 ppm1      4.267 ppm2      7.522

 ASSI {  241}
   (( segid "   A" and resid 49   and name  HN  ))
   (( segid "   A" and resid 48   and name  HA  ))
      2.629     0.909     1.315 peak   241 weight  1.00000E+00 volume  2.77129E+06 ppm1      4.262 ppm2      8.432

 ASSI {  242}
   (( segid "   A" and resid 49   and name  HA  ))
   (  segid "   A" and resid 49   and name  HD1#)
      2.781     1.061     1.391 peak   242 weight  1.00000E+00 volume  1.97898E+06 ppm1      5.419 ppm2      0.841

 ASSI {  244}
   (( segid "   A" and resid 49   and name  HA  ))
   (( segid "   A" and resid 42   and name  HB2 ))
      3.398     1.678     1.699 peak   244 weight  1.00000E+00 volume  5.94600E+05 ppm1      5.404 ppm2      1.832

 ASSI {  245}
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 49   and name  HA  ))
      2.955     1.235     1.477 peak   245 weight  1.00000E+00 volume  1.37628E+06 ppm1      5.412 ppm2      9.280

 ASSI {  250}
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 51   and name  HA  ))
      2.820     1.100     1.410 peak   250 weight  1.00000E+00 volume  1.82147E+06 ppm1      5.184 ppm2      8.553

 ASSI {  253}
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 53   and name  HA  ))
      2.831     1.111     1.416 peak   253 weight  1.00000E+00 volume  1.28060E+05 ppm1      5.181 ppm2      9.035

 ASSI {  254}
   (( segid "   A" and resid 53   and name  HA  ))
   (( segid "   A" and resid 38   and name  HA  ))
      3.141     1.421     1.570 peak   254 weight  1.00000E+00 volume  7.69236E+04 ppm1      5.184 ppm2      4.916

 ASSI {  258}
   (( segid "   A" and resid 53   and name  HA  ))
   (( segid "   A" and resid 53   and name  HB  ))
      3.205     1.485     1.602 peak   258 weight  1.00000E+00 volume  5.93795E+04 ppm1      4.537 ppm2      5.179

 ASSI {  260}
   (  segid "   A" and resid 54   and name  HD# )
   (( segid "   A" and resid 54   and name  HA  ))
      3.479     1.740     1.740 peak   260 weight  1.00000E+00 volume  5.17084E+04 ppm1      4.787 ppm2      7.049

 ASSI {  261}
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 54   and name  HA  ))
      3.573     1.787     1.787 peak   261 weight  1.00000E+00 volume  2.83690E+04 ppm1      4.770 ppm2      9.028

 ASSI {  263}
   (( segid "   A" and resid 56   and name  HN  ))
   (  segid "   A" and resid 56   and name  HB# )
      2.783     1.063     1.392 peak   263 weight  1.00000E+00 volume  8.16265E+04 ppm1      1.299 ppm2      7.981

 ASSI {  264}
   (  segid "   A" and resid 56   and name  HB# )
   (( segid "   A" and resid 56   and name  HA  ))
      2.538     0.818     1.269 peak   264 weight  1.00000E+00 volume  1.55540E+05 ppm1      1.295 ppm2      4.708

 ASSI {  267}
   (  segid "   A" and resid 56   and name  HB# )
   (( segid "   A" and resid 34   and name  HB2 ))
      2.859     1.139     1.430 peak   267 weight  1.00000E+00 volume  1.67584E+06 ppm1      1.293 ppm2      3.864

 ASSI {  269}
   (( segid "   A" and resid 62   and name  HB2 ))
   (( segid "   A" and resid 62   and name  HA  ))
      3.017     1.297     1.509 peak   269 weight  1.00000E+00 volume  1.21292E+06 ppm1      4.596 ppm2      1.936

 ASSI {  270}
   (( segid "   A" and resid 62   and name  HB1 ))
   (( segid "   A" and resid 62   and name  HA  ))
      3.182     1.462     1.591 peak   270 weight  1.00000E+00 volume  5.00164E+04 ppm1      4.601 ppm2      2.216

 ASSI {  272}
   (( segid "   A" and resid 13   and name  HA  ))
   (( segid "   A" and resid 62   and name  HA  ))
      3.432     1.712     1.716 peak   272 weight  1.00000E+00 volume  5.60734E+05 ppm1      4.598 ppm2      5.032

 ASSI {  273}
   (( segid "   A" and resid 63   and name  HN  ))
   (( segid "   A" and resid 62   and name  HA  ))
      3.042     1.322     1.521 peak   273 weight  1.00000E+00 volume  1.15547E+06 ppm1      4.604 ppm2      7.832

 ASSI {  280}
   (( segid "   A" and resid 63   and name  HA  ))
   (  segid "   A" and resid 63   and name  HB# )
      2.901     1.181     1.450 peak   280 weight  1.00000E+00 volume  1.53596E+06 ppm1      4.601 ppm2      0.852

 ASSI {  287}
   (( segid "   A" and resid 67   and name  HA  ))
   (( segid "   A" and resid 67   and name  HB2 ))
      3.188     1.468     1.594 peak   287 weight  1.00000E+00 volume  8.71826E+05 ppm1      2.554 ppm2      5.354

 ASSI {  288}
   (( segid "   A" and resid 68   and name  HN  ))
   (( segid "   A" and resid 67   and name  HB2 ))
      3.484     1.742     1.742 peak   288 weight  1.00000E+00 volume  5.11631E+05 ppm1      2.550 ppm2      8.800

 ASSI {  289}
   (( segid "   A" and resid 68   and name  HN  ))
   (( segid "   A" and resid 68   and name  HA  ))
      2.979     1.259     1.490 peak   289 weight  1.00000E+00 volume  1.30864E+06 ppm1      4.612 ppm2      8.818

 ASSI {  297}
   (( segid "   A" and resid 71   and name  HN  ))
   (( segid "   A" and resid 71   and name  HB2 ))
      2.858     1.138     1.429 peak   297 weight  1.00000E+00 volume  1.68000E+06 ppm1      1.998 ppm2      9.091

 ASSI {  298}
   (  segid "   A" and resid 82   and name  HD# )
   (( segid "   A" and resid 72   and name  HB2 ))
      4.067     2.034     2.034 peak   298 weight  1.00000E+00 volume  2.02172E+05 ppm1      2.745 ppm2      6.983

 ASSI {  304}
   (( segid "   A" and resid 75   and name  HN  ))
   (( segid "   A" and resid 74   and name  HA  ))
      2.935     1.215     1.467 peak   304 weight  1.00000E+00 volume  1.43336E+06 ppm1      4.186 ppm2      8.425

 ASSI {  306}
   (( segid "   A" and resid 74   and name  HN  ))
   (( segid "   A" and resid 74   and name  HA  ))
      3.375     1.655     1.687 peak   306 weight  1.00000E+00 volume  4.03504E+04 ppm1      4.193 ppm2      6.334

 ASSI {  307}
   (( segid "   A" and resid 74   and name  HA  ))
   (( segid "   A" and resid 74   and name  HB2 ))
      3.044     1.324     1.522 peak   307 weight  1.00000E+00 volume  9.94488E+04 ppm1      4.184 ppm2      3.333

 ASSI {  308}
   (( segid "   A" and resid 74   and name  HA  ))
   (( segid "   A" and resid 74   and name  HB1 ))
      3.052     1.332     1.526 peak   308 weight  1.00000E+00 volume  8.77334E+04 ppm1      4.187 ppm2      2.833

 ASSI {  309}
   (  segid "   A" and resid 74   and name  HE# )
   (( segid "   A" and resid 74   and name  HB1 ))
      3.380     1.660     1.690 peak   309 weight  1.00000E+00 volume  4.37489E+04 ppm1      2.841 ppm2      6.602

 ASSI {  310}
   (( segid "   A" and resid 75   and name  HN  ))
   (( segid "   A" and resid 74   and name  HB1 ))
      3.385     1.665     1.692 peak   310 weight  1.00000E+00 volume  3.85569E+04 ppm1      2.847 ppm2      8.426

 ASSI {  311}
   (( segid "   A" and resid 75   and name  HN  ))
   (( segid "   A" and resid 74   and name  HB2 ))
      3.342     1.622     1.671 peak   311 weight  1.00000E+00 volume  4.22040E+04 ppm1      3.334 ppm2      8.430

 ASSI {  312}
   (  segid "   A" and resid 74   and name  HE# )
   (( segid "   A" and resid 74   and name  HB2 ))
      3.252     1.532     1.626 peak   312 weight  1.00000E+00 volume  4.64432E+04 ppm1      3.336 ppm2      6.605

 ASSI {  313}
   (( segid "   A" and resid 74   and name  HA  ))
   (( segid "   A" and resid 74   and name  HB2 ))
      3.192     1.472     1.596 peak   313 weight  1.00000E+00 volume  5.63356E+04 ppm1      3.333 ppm2      4.187

 ASSI {  314}
   (( segid "   A" and resid 74   and name  HA  ))
   (( segid "   A" and resid 74   and name  HB1 ))
      3.271     1.551     1.635 peak   314 weight  1.00000E+00 volume  6.65239E+04 ppm1      2.826 ppm2      4.182

 ASSI {  315}
   (( segid "   A" and resid 74   and name  HB2 ))
   (( segid "   A" and resid 74   and name  HB1 ))
      3.064     1.344     1.532 peak   315 weight  1.00000E+00 volume  7.66751E+04 ppm1      2.837 ppm2      3.328

 ASSI {  316}
   (( segid "   A" and resid 74   and name  HB2 ))
   (( segid "   A" and resid 74   and name  HB1 ))
      2.913     1.193     1.456 peak   316 weight  1.00000E+00 volume  8.75491E+04 ppm1      3.339 ppm2      2.834

 ASSI {  317}
   (( segid "   A" and resid 76   and name  HN  ))
   (( segid "   A" and resid 76   and name  HB2 ))
      3.680     1.840     1.840 peak   317 weight  1.00000E+00 volume  3.68881E+05 ppm1      2.371 ppm2      8.840

 ASSI {  318}
   (( segid "   A" and resid 76   and name  HB2 ))
   (  segid "   A" and resid 74   and name  HE# )
      3.436     1.716     1.718 peak   318 weight  1.00000E+00 volume  5.56396E+05 ppm1      2.366 ppm2      6.592

 ASSI {  324}
   (( segid "   A" and resid 79   and name  HA  ))
   (( segid "   A" and resid 79   and name  HB1 ))
      3.456     1.728     1.728 peak   324 weight  1.00000E+00 volume  3.57162E+04 ppm1      5.193 ppm2      2.432

 ASSI {  326}
   (( segid "   A" and resid 79   and name  HN  ))
   (( segid "   A" and resid 79   and name  HA  ))
      3.991     1.995     1.995 peak   326 weight  1.00000E+00 volume  2.66679E+04 ppm1      5.202 ppm2      7.729

 ASSI {  327}
   (( segid "   A" and resid 80   and name  HN  ))
   (( segid "   A" and resid 79   and name  HA  ))
      2.937     1.217     1.468 peak   327 weight  1.00000E+00 volume  6.20779E+04 ppm1      5.190 ppm2      9.054

 ASSI {  328}
   (( segid "   A" and resid 79   and name  HA  ))
   (( segid "   A" and resid 79   and name  HB2 ))
      4.027     2.013     2.013 peak   328 weight  1.00000E+00 volume  2.49444E+04 ppm1      5.196 ppm2      2.844

 ASSI {  329}
   (( segid "   A" and resid 79   and name  HN  ))
   (( segid "   A" and resid 79   and name  HB2 ))
      3.197     1.477     1.598 peak   329 weight  1.00000E+00 volume  8.58237E+05 ppm1      2.810 ppm2      7.717

 ASSI {  331}
   (( segid "   A" and resid 82   and name  HN  ))
   (( segid "   A" and resid 81   and name  HA  ))
      3.203     1.483     1.602 peak   331 weight  1.00000E+00 volume  8.47273E+05 ppm1      4.432 ppm2      9.065

 ASSI {  332}
   (( segid "   A" and resid 83   and name  HN  ))
   (( segid "   A" and resid 82   and name  HA  ))
      3.305     1.585     1.653 peak   332 weight  1.00000E+00 volume  7.02337E+05 ppm1      5.334 ppm2      9.329

 ASSI {  341}
   (( segid "   A" and resid 83   and name  HA  ))
   (( segid "   A" and resid 84   and name  HN  ))
      3.401     1.681     1.700 peak   341 weight  1.00000E+00 volume  3.84106E+04 ppm1      5.152 ppm2      8.698

 ASSI {  343}
   (( segid "   A" and resid 83   and name  HA  ))
   (( segid "   A" and resid 90   and name  HA  ))
      3.314     1.594     1.657 peak   343 weight  1.00000E+00 volume  3.97894E+04 ppm1      5.168 ppm2      5.460

 ASSI {  348}
   (( segid "   A" and resid 84   and name  HN  ))
   (( segid "   A" and resid 84   and name  HB2 ))
      3.229     1.509     1.614 peak   348 weight  1.00000E+00 volume  8.07728E+05 ppm1      2.520 ppm2      8.685

 ASSI {  350}
   (( segid "   A" and resid 89   and name  HB1 ))
   (( segid "   A" and resid 84   and name  HB2 ))
      3.347     1.627     1.674 peak   350 weight  1.00000E+00 volume  6.51045E+05 ppm1      2.524 ppm2      1.832

 ASSI {  351}
   (( segid "   A" and resid 86   and name  HN  ))
   (( segid "   A" and resid 85   and name  HB2 ))
      4.168     2.084     2.084 peak   351 weight  1.00000E+00 volume  1.74637E+05 ppm1      2.639 ppm2      8.717

 ASSI {  352}
   (( segid "   A" and resid 87   and name  HN  ))
   (( segid "   A" and resid 85   and name  HB2 ))
      3.635     1.818     1.818 peak   352 weight  1.00000E+00 volume  3.96684E+05 ppm1      2.628 ppm2      8.108

 ASSI {  354}
   (( segid "   A" and resid 85   and name  HB2 ))
   (( segid "   A" and resid 85   and name  HB1 ))
      2.469     0.749     1.234 peak   354 weight  1.00000E+00 volume  4.04411E+06 ppm1      2.637 ppm2      2.781

 ASSI {  355}
   (( segid "   A" and resid 85   and name  HB2 ))
   (( segid "   A" and resid 85   and name  HB1 ))
      2.387     0.667     1.194 peak   355 weight  1.00000E+00 volume  2.60048E+05 ppm1      2.776 ppm2      2.640

 ASSI {  356}
   (( segid "   A" and resid 86   and name  HA  ))
   (( segid "   A" and resid 85   and name  HB1 ))
      3.064     1.344     1.532 peak   356 weight  1.00000E+00 volume  4.32074E+04 ppm1      4.188 ppm2      2.830

 ASSI {  362}
   (( segid "   A" and resid 87   and name  HN  ))
   (( segid "   A" and resid 87   and name  HB2 ))
      3.875     1.937     1.937 peak   362 weight  1.00000E+00 volume  2.30234E+04 ppm1      3.669 ppm2      8.084

 ASSI {  366}
   (( segid "   A" and resid 88   and name  HB2 ))
   (( segid "   A" and resid 88   and name  HB1 ))
      2.621     0.901     1.310 peak   366 weight  1.00000E+00 volume  1.12537E+05 ppm1      3.462 ppm2      3.359

 ASSI {  367}
   (( segid "   A" and resid 88   and name  HA  ))
   (( segid "   A" and resid 88   and name  HB2 ))
      3.392     1.672     1.696 peak   367 weight  1.00000E+00 volume  6.00552E+05 ppm1      3.461 ppm2      4.436

 ASSI {  368}
   (( segid "   A" and resid 88   and name  HA  ))
   (( segid "   A" and resid 88   and name  HB1 ))
      3.474     1.737     1.737 peak   368 weight  1.00000E+00 volume  5.20933E+05 ppm1      3.340 ppm2      4.428

 ASSI {  371}
   (( segid "   A" and resid 88   and name  HB2 ))
   (  segid "   A" and resid 88   and name  HD# )
      3.520     1.760     1.760 peak   371 weight  1.00000E+00 volume  4.81423E+05 ppm1      3.457 ppm2      7.198

 ASSI {  372}
   (( segid "   A" and resid 88   and name  HB1 ))
   (  segid "   A" and resid 88   and name  HD# )
      3.585     1.793     1.793 peak   372 weight  1.00000E+00 volume  4.30928E+05 ppm1      3.359 ppm2      7.206

 ASSI {  373}
   (( segid "   A" and resid 91   and name  HN  ))
   (( segid "   A" and resid 90   and name  HA  ))
      3.298     1.578     1.649 peak   373 weight  1.00000E+00 volume  7.11608E+05 ppm1      5.423 ppm2      8.945

 ASSI {  375}
   (( segid "   A" and resid 92   and name  HN  ))
   (( segid "   A" and resid 91   and name  HA  ))
      3.056     1.336     1.528 peak   375 weight  1.00000E+00 volume  7.53686E+04 ppm1      4.571 ppm2      8.260

 ASSI {  376}
   (( segid "   A" and resid 91   and name  HN  ))
   (( segid "   A" and resid 91   and name  HA  ))
      3.101     1.381     1.550 peak   376 weight  1.00000E+00 volume  5.02452E+04 ppm1      4.565 ppm2      8.937

 ASSI {  377}
   (( segid "   A" and resid 91   and name  HA  ))
   (( segid "   A" and resid 91   and name  HB  ))
      3.200     1.480     1.600 peak   377 weight  1.00000E+00 volume  4.35411E+04 ppm1      4.575 ppm2      3.760

 ASSI {  379}
   (( segid "   A" and resid 91   and name  HA  ))
   (  segid "   A" and resid 91   and name  HG2#)
      2.958     1.238     1.479 peak   379 weight  1.00000E+00 volume  7.56960E+04 ppm1      4.570 ppm2      0.969

 ASSI {  381}
   (  segid "   A" and resid 91   and name  HG2#)
   (( segid "   A" and resid 91   and name  HB  ))
      2.603     0.883     1.301 peak   381 weight  1.00000E+00 volume  1.29758E+05 ppm1      3.763 ppm2      0.975

 ASSI {  383}
   (( segid "   A" and resid 91   and name  HA  ))
   (( segid "   A" and resid 91   and name  HB  ))
      2.906     1.186     1.453 peak   383 weight  1.00000E+00 volume  6.19940E+04 ppm1      3.762 ppm2      4.571

 ASSI {  384}
   (( segid "   A" and resid 91   and name  HB  ))
   (( segid "   A" and resid 90   and name  HA  ))
      3.898     1.949     1.949 peak   384 weight  1.00000E+00 volume  2.61123E+05 ppm1      3.758 ppm2      5.454

 ASSI {  385}
   (( segid "   A" and resid 91   and name  HN  ))
   (( segid "   A" and resid 91   and name  HB  ))
      2.973     1.253     1.487 peak   385 weight  1.00000E+00 volume  1.32478E+06 ppm1      3.763 ppm2      8.938

 ASSI {  387}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 92   and name  HA  ))
      3.012     1.292     1.506 peak   387 weight  1.00000E+00 volume  1.22618E+06 ppm1      5.582 ppm2      9.272

 ASSI {  389}
   (( segid "   A" and resid 92   and name  HA  ))
   (  segid "   A" and resid 82   and name  HD# )
      3.951     1.975     1.975 peak   389 weight  1.00000E+00 volume  2.40819E+05 ppm1      5.585 ppm2      6.996

 ASSI {  390}
   (( segid "   A" and resid 92   and name  HG2 ))
   (( segid "   A" and resid 92   and name  HA  ))
      3.431     1.711     1.715 peak   390 weight  1.00000E+00 volume  4.47978E+04 ppm1      5.589 ppm2      2.144

 ASSI {  392}
   (( segid "   A" and resid 92   and name  HA  ))
   (  segid "   A" and resid 81   and name  HG1#)
      3.183     1.463     1.592 peak   392 weight  1.00000E+00 volume  8.79766E+05 ppm1      5.588 ppm2      0.718

 ASSI {  393}
   (( segid "   A" and resid 94   and name  HN  ))
   (( segid "   A" and resid 93   and name  HA  ))
      3.301     1.581     1.650 peak   393 weight  1.00000E+00 volume  7.08022E+05 ppm1      4.847 ppm2      8.487

 ASSI {  394}
   (( segid "   A" and resid 98   and name  HN  ))
   (( segid "   A" and resid 98   and name  HA  ))
      3.590     1.795     1.795 peak   394 weight  1.00000E+00 volume  2.81712E+04 ppm1      4.844 ppm2      7.415

 ASSI {  396}
   (( segid "   A" and resid 93   and name  HA  ))
   (( segid "   A" and resid 93   and name  HB2 ))
      2.991     1.271     1.496 peak   396 weight  1.00000E+00 volume  1.02135E+05 ppm1      4.845 ppm2      1.552

 ASSI {  397}
   (( segid "   A" and resid 93   and name  HA  ))
   (  segid "   A" and resid 93   and name  HD1#)
      2.969     1.249     1.485 peak   397 weight  1.00000E+00 volume  9.99671E+04 ppm1      4.849 ppm2      0.557

 ASSI {  398}
   (( segid "   A" and resid 93   and name  HB2 ))
   (  segid "   A" and resid 93   and name  HD1#)
      3.144     1.424     1.572 peak   398 weight  1.00000E+00 volume  5.45254E+04 ppm1      1.561 ppm2      0.539

 ASSI {  399}
   (( segid "   A" and resid 93   and name  HB1 ))
   (  segid "   A" and resid 93   and name  HD1#)
      3.098     1.378     1.549 peak   399 weight  1.00000E+00 volume  6.09212E+04 ppm1      1.679 ppm2      0.548

 ASSI {  400}
   (( segid "   A" and resid 93   and name  HB2 ))
   (( segid "   A" and resid 93   and name  HB1 ))
      2.747     1.027     1.373 peak   400 weight  1.00000E+00 volume  1.01313E+05 ppm1      1.564 ppm2      1.687

 ASSI {  403}
   (( segid "   A" and resid 94   and name  HB2 ))
   (( segid "   A" and resid 94   and name  HA  ))
      3.207     1.487     1.603 peak   403 weight  1.00000E+00 volume  5.76585E+04 ppm1      5.265 ppm2      4.034

 ASSI {  404}
   (( segid "   A" and resid 95   and name  HN  ))
   (( segid "   A" and resid 94   and name  HA  ))
      3.370     1.650     1.685 peak   404 weight  1.00000E+00 volume  4.37638E+04 ppm1      5.260 ppm2      8.756

 ASSI {  406}
   (( segid "   A" and resid 94   and name  HB2 ))
   (( segid "   A" and resid 94   and name  HN  ))
      3.369     1.649     1.684 peak   406 weight  1.00000E+00 volume  3.64519E+04 ppm1      4.038 ppm2      8.503

 ASSI {  407}
   (( segid "   A" and resid 95   and name  HN  ))
   (( segid "   A" and resid 94   and name  HB2 ))
      3.280     1.560     1.640 peak   407 weight  1.00000E+00 volume  2.58194E+04 ppm1      4.039 ppm2      8.765

 ASSI {  408}
   (( segid "   A" and resid 94   and name  HB2 ))
   (( segid "   A" and resid 94   and name  HA  ))
      3.035     1.315     1.518 peak   408 weight  1.00000E+00 volume  1.17088E+06 ppm1      4.033 ppm2      5.254

 ASSI {  413}
   (( segid "   A" and resid 96   and name  HA  ))
   (( segid "   A" and resid 96   and name  HB2 ))
      2.844     1.124     1.422 peak   413 weight  1.00000E+00 volume  1.73153E+06 ppm1      2.456 ppm2      4.306

 ASSI {  414}
   (( segid "   A" and resid 97   and name  HN  ))
   (( segid "   A" and resid 96   and name  HB2 ))
      3.629     1.814     1.814 peak   414 weight  1.00000E+00 volume  2.94589E+04 ppm1      2.457 ppm2      7.874

 ASSI {  419}
   (( segid "   A" and resid 97   and name  HN  ))
   (( segid "   A" and resid 97   and name  HA  ))
      3.207     1.487     1.603 peak   419 weight  1.00000E+00 volume  5.81930E+04 ppm1      4.277 ppm2      7.877

 ASSI {  420}
   (( segid "   A" and resid 98   and name  HN  ))
   (( segid "   A" and resid 97   and name  HA  ))
      4.153     2.076     2.076 peak   420 weight  1.00000E+00 volume  3.01565E+04 ppm1      4.282 ppm2      7.455

 ASSI {  422}
   (( segid "   A" and resid 97   and name  HB2 ))
   (( segid "   A" and resid 97   and name  HA  ))
      3.057     1.337     1.529 peak   422 weight  1.00000E+00 volume  8.80106E+04 ppm1      4.283 ppm2      3.135

 ASSI {  428}
   (( segid "   A" and resid 99   and name  HN  ))
   (( segid "   A" and resid 99   and name  HA  ))
      2.985     1.265     1.493 peak   428 weight  1.00000E+00 volume  1.05122E+05 ppm1      3.849 ppm2      7.218

 ASSI {  430}
   (( segid "   A" and resid 99   and name  HA  ))
   (( segid "   A" and resid 99   and name  HG2 ))
      2.956     1.236     1.478 peak   430 weight  1.00000E+00 volume  9.12609E+04 ppm1      3.847 ppm2      1.441

 ASSI {  431}
   (  segid "   A" and resid 102  and name  HD1#)
   (( segid "   A" and resid 99   and name  HA  ))
      3.062     1.342     1.531 peak   431 weight  1.00000E+00 volume  7.42651E+04 ppm1      3.850 ppm2      0.694

 ASSI {  433}
   (( segid "   A" and resid 99   and name  HA  ))
   (( segid "   A" and resid 99   and name  HB2 ))
      2.926     1.206     1.463 peak   433 weight  1.00000E+00 volume  1.06636E+05 ppm1      1.789 ppm2      3.856

 ASSI {  434}
   (( segid "   A" and resid 99   and name  HN  ))
   (( segid "   A" and resid 99   and name  HB2 ))
      3.097     1.377     1.548 peak   434 weight  1.00000E+00 volume  1.17270E+05 ppm1      1.788 ppm2      7.221

 ASSI {  435}
   (( segid "   A" and resid 101  and name  HN  ))
   (( segid "   A" and resid 100  and name  HA  ))
      3.741     1.870     1.870 peak   435 weight  1.00000E+00 volume  2.85716E+04 ppm1      4.000 ppm2      8.914

 ASSI {  439}
   (( segid "   A" and resid 100  and name  HA  ))
   (( segid "   A" and resid 100  and name  HB2 ))
      2.848     1.128     1.424 peak   439 weight  1.00000E+00 volume  1.19099E+05 ppm1      4.004 ppm2      1.930

 ASSI {  442}
   (( segid "   A" and resid 101  and name  HA  ))
   (( segid "   A" and resid 101  and name  HN  ))
      3.519     1.760     1.760 peak   442 weight  1.00000E+00 volume  2.75145E+04 ppm1      3.963 ppm2      8.914

 ASSI {  446}
   (  segid "   A" and resid 105  and name  HD1#)
   (( segid "   A" and resid 102  and name  HA  ))
      2.818     1.098     1.409 peak   446 weight  1.00000E+00 volume  1.82974E+06 ppm1      3.814 ppm2      0.399

 ASSI {  447}
   (( segid "   A" and resid 102  and name  HA  ))
   (  segid "   A" and resid 102  and name  HD1#)
      3.294     1.574     1.647 peak   447 weight  1.00000E+00 volume  7.16096E+05 ppm1      3.818 ppm2      0.698

 ASSI {  449}
   (( segid "   A" and resid 105  and name  HB2 ))
   (( segid "   A" and resid 102  and name  HA  ))
      3.614     1.807     1.807 peak   449 weight  1.00000E+00 volume  2.13136E+04 ppm1      3.814 ppm2      1.216

 ASSI {  453}
   (( segid "   A" and resid 102  and name  HA  ))
   (( segid "   A" and resid 102  and name  HN  ))
      3.547     1.773     1.773 peak   453 weight  1.00000E+00 volume  4.59968E+05 ppm1      3.817 ppm2      7.935

 ASSI {  458}
   (( segid "   A" and resid 103  and name  HN  ))
   (( segid "   A" and resid 103  and name  HA  ))
      3.403     1.683     1.701 peak   458 weight  1.00000E+00 volume  5.89992E+05 ppm1      4.021 ppm2      7.316

 ASSI {  462}
   (( segid "   A" and resid 105  and name  HN  ))
   (( segid "   A" and resid 105  and name  HB2 ))
      3.223     1.503     1.612 peak   462 weight  1.00000E+00 volume  8.16372E+05 ppm1      1.221 ppm2      6.719

 ASSI {  463}
   (( segid "   A" and resid 106  and name  HN  ))
   (( segid "   A" and resid 105  and name  HB2 ))
      3.801     1.900     1.900 peak   463 weight  1.00000E+00 volume  2.46991E+04 ppm1      1.223 ppm2      7.143

 ASSI {  464}
   (( segid "   A" and resid 105  and name  HB2 ))
   (( segid "   A" and resid 103  and name  HN  ))
      3.741     1.871     1.871 peak   464 weight  1.00000E+00 volume  2.78029E+04 ppm1      1.219 ppm2      7.351

 ASSI {  465}
   (( segid "   A" and resid 105  and name  HA  ))
   (( segid "   A" and resid 105  and name  HB2 ))
      3.507     1.753     1.753 peak   465 weight  1.00000E+00 volume  3.62071E+04 ppm1      1.225 ppm2      4.244

 ASSI {  466}
   (( segid "   A" and resid 105  and name  HB2 ))
   (( segid "   A" and resid 102  and name  HA  ))
      3.712     1.856     1.856 peak   466 weight  1.00000E+00 volume  3.50075E+05 ppm1      1.226 ppm2      3.810

 ASSI {  468}
   (  segid "   A" and resid 105  and name  HD1#)
   (( segid "   A" and resid 105  and name  HB2 ))
      2.796     1.076     1.398 peak   468 weight  1.00000E+00 volume  1.91680E+06 ppm1      1.222 ppm2      0.421

 ASSI {  472}
   (  segid "   A" and resid 105  and name  HD1#)
   (( segid "   A" and resid 105  and name  HN  ))
      2.925     1.205     1.463 peak   472 weight  1.00000E+00 volume  1.22440E+05 ppm1      0.398 ppm2      6.690

 ASSI {  476}
   (( segid "   A" and resid 105  and name  HA  ))
   (  segid "   A" and resid 105  and name  HD1#)
      2.679     0.959     1.339 peak   476 weight  1.00000E+00 volume  2.47838E+06 ppm1      0.387 ppm2      4.243

 ASSI {  478}
   (( segid "   A" and resid 107  and name  HN  ))
   (( segid "   A" and resid 106  and name  HA  ))
      3.073     1.353     1.537 peak   478 weight  1.00000E+00 volume  1.08681E+06 ppm1      4.649 ppm2      9.091

 ASSI {  482}
   (( segid "   A" and resid 107  and name  HA  ))
   (( segid "   A" and resid 107  and name  HB2 ))
      2.907     1.187     1.454 peak   482 weight  1.00000E+00 volume  1.51613E+06 ppm1      3.538 ppm2      1.887

 ASSI {  485}
   (( segid "   A" and resid 109  and name  HN  ))
   (( segid "   A" and resid 107  and name  HA  ))
      3.895     1.948     1.948 peak   485 weight  1.00000E+00 volume  2.52156E+04 ppm1      3.545 ppm2      8.116

 ASSI {  486}
   (( segid "   A" and resid 108  and name  HN  ))
   (( segid "   A" and resid 107  and name  HA  ))
      3.001     1.281     1.500 peak   486 weight  1.00000E+00 volume  9.08430E+04 ppm1      3.545 ppm2      9.109

 ASSI {  488}
   (( segid "   A" and resid 109  and name  HN  ))
   (( segid "   A" and resid 108  and name  HA2 ))
      3.609     1.804     1.804 peak   488 weight  1.00000E+00 volume  2.52468E+04 ppm1      3.753 ppm2      8.109

 ASSI {  489}
   (( segid "   A" and resid 108  and name  HN  ))
   (( segid "   A" and resid 108  and name  HA2 ))
      3.292     1.572     1.646 peak   489 weight  1.00000E+00 volume  7.19228E+05 ppm1      3.753 ppm2      9.107

 ASSI {  490}
   (( segid "   A" and resid 108  and name  HN  ))
   (( segid "   A" and resid 108  and name  HA2 ))
      3.483     1.741     1.741 peak   490 weight  1.00000E+00 volume  5.13179E+05 ppm1      4.407 ppm2      9.113

 ASSI {  494}
   (( segid "   A" and resid 110  and name  HN  ))
   (( segid "   A" and resid 109  and name  HG2 ))
      3.022     1.302     1.511 peak   494 weight  1.00000E+00 volume  1.20097E+06 ppm1      2.639 ppm2      8.531

 ASSI {  495}
   (( segid "   A" and resid 109  and name  HG2 ))
   (( segid "   A" and resid 109  and name  HN  ))
      3.227     1.507     1.613 peak   495 weight  1.00000E+00 volume  8.11075E+05 ppm1      2.644 ppm2      8.108

 ASSI {  496}
   (( segid "   A" and resid 109  and name  HA  ))
   (( segid "   A" and resid 109  and name  HG2 ))
      2.875     1.155     1.438 peak   496 weight  1.00000E+00 volume  1.62101E+06 ppm1      2.640 ppm2      4.291

 ASSI {  499}
   (( segid "   A" and resid 111  and name  HN  ))
   (( segid "   A" and resid 110  and name  HA  ))
      2.831     1.111     1.416 peak   499 weight  1.00000E+00 volume  9.14080E+04 ppm1      5.086 ppm2      9.072

 ASSI {  501}
   (( segid "   A" and resid 110  and name  HA  ))
   (( segid "   A" and resid 110  and name  HB2 ))
      2.765     1.045     1.382 peak   501 weight  1.00000E+00 volume  1.07984E+05 ppm1      5.098 ppm2      2.029

 ASSI {  504}
   (( segid "   A" and resid 112  and name  HN  ))
   (( segid "   A" and resid 111  and name  HA  ))
      3.161     1.441     1.580 peak   504 weight  1.00000E+00 volume  9.18235E+05 ppm1      4.768 ppm2      8.060

 ASSI {  506}
   (( segid "   A" and resid 111  and name  HA  ))
   (( segid "   A" and resid 110  and name  HB2 ))
      2.986     1.266     1.493 peak   506 weight  1.00000E+00 volume  1.29125E+06 ppm1      4.766 ppm2      2.013

 ASSI {  508}
   (( segid "   A" and resid 112  and name  HN  ))
   (( segid "   A" and resid 111  and name  HB  ))
      2.801     1.081     1.400 peak   508 weight  1.00000E+00 volume  1.89770E+06 ppm1      2.032 ppm2      8.060

 ASSI {  509}
   (( segid "   A" and resid 124  and name  HN  ))
   (( segid "   A" and resid 111  and name  HB  ))
      3.492     1.746     1.746 peak   509 weight  1.00000E+00 volume  3.33686E+04 ppm1      2.037 ppm2      9.195

 ASSI {  510}
   (( segid "   A" and resid 111  and name  HN  ))
   (( segid "   A" and resid 111  and name  HB  ))
      3.260     1.540     1.630 peak   510 weight  1.00000E+00 volume  3.55659E+04 ppm1      2.034 ppm2      9.070

 ASSI {  511}
   (( segid "   A" and resid 113  and name  HN  ))
   (( segid "   A" and resid 112  and name  HA  ))
      3.089     1.369     1.545 peak   511 weight  1.00000E+00 volume  3.89664E+04 ppm1      5.087 ppm2      9.078

 ASSI {  513}
   (( segid "   A" and resid 114  and name  HN  ))
   (( segid "   A" and resid 113  and name  HA  ))
      3.474     1.737     1.737 peak   513 weight  1.00000E+00 volume  2.93834E+04 ppm1      4.438 ppm2      8.496

 ASSI {  521}
   (( segid "   A" and resid 115  and name  HN  ))
   (( segid "   A" and resid 114  and name  HA  ))
      2.737     1.017     1.368 peak   521 weight  1.00000E+00 volume  1.41180E+05 ppm1      5.224 ppm2      8.935

 ASSI {  524}
   (( segid "   A" and resid 116  and name  HN  ))
   (( segid "   A" and resid 115  and name  HA  ))
      3.023     1.303     1.511 peak   524 weight  1.00000E+00 volume  5.95490E+04 ppm1      5.341 ppm2      8.871

 ASSI {  525}
   (( segid "   A" and resid 115  and name  HA  ))
   (( segid "   A" and resid 120  and name  HA  ))
      3.371     1.651     1.685 peak   525 weight  1.00000E+00 volume  3.25970E+04 ppm1      5.346 ppm2      4.159

 ASSI {  526}
   (( segid "   A" and resid 115  and name  HA  ))
   (( segid "   A" and resid 115  and name  HB  ))
      3.285     1.565     1.642 peak   526 weight  1.00000E+00 volume  7.28747E+05 ppm1      5.343 ppm2      3.708

 ASSI {  527}
   (( segid "   A" and resid 115  and name  HA  ))
   (  segid "   A" and resid 115  and name  HG2#)
      2.981     1.261     1.491 peak   527 weight  1.00000E+00 volume  6.35792E+04 ppm1      5.338 ppm2      0.903

 ASSI {  531}
   (( segid "   A" and resid 115  and name  HB  ))
   (( segid "   A" and resid 120  and name  HA  ))
      3.865     1.932     1.932 peak   531 weight  1.00000E+00 volume  2.74676E+05 ppm1      3.699 ppm2      4.138

 ASSI {  532}
   (( segid "   A" and resid 115  and name  HA  ))
   (( segid "   A" and resid 115  and name  HB  ))
      3.093     1.373     1.546 peak   532 weight  1.00000E+00 volume  8.42101E+04 ppm1      3.706 ppm2      5.335

 ASSI {  533}
   (( segid "   A" and resid 116  and name  HN  ))
   (( segid "   A" and resid 115  and name  HB  ))
      3.059     1.339     1.530 peak   533 weight  1.00000E+00 volume  7.77084E+04 ppm1      3.700 ppm2      8.861

 ASSI {  535}
   (( segid "   A" and resid 116  and name  HN  ))
   (( segid "   A" and resid 116  and name  HA  ))
      3.181     1.461     1.591 peak   535 weight  1.00000E+00 volume  5.69986E+04 ppm1      4.884 ppm2      8.863

 ASSI {  544}
   (( segid "   A" and resid 119  and name  HA  ))
   (( segid "   A" and resid 120  and name  HN  ))
      3.607     1.804     1.804 peak   544 weight  1.00000E+00 volume  4.13391E+04 ppm1      4.567 ppm2      8.765

 ASSI {  545}
   (( segid "   A" and resid 119  and name  HN  ))
   (( segid "   A" and resid 119  and name  HA  ))
      3.188     1.468     1.594 peak   545 weight  1.00000E+00 volume  8.71372E+05 ppm1      4.566 ppm2      7.962

 ASSI {  548}
   (( segid "   A" and resid 119  and name  HN  ))
   (( segid "   A" and resid 119  and name  HB1 ))
      3.239     1.519     1.620 peak   548 weight  1.00000E+00 volume  7.92437E+05 ppm1      2.125 ppm2      7.959

 ASSI {  549}
   (( segid "   A" and resid 119  and name  HN  ))
   (( segid "   A" and resid 119  and name  HB2 ))
      3.120     1.400     1.560 peak   549 weight  1.00000E+00 volume  9.92985E+05 ppm1      1.976 ppm2      7.966

 ASSI {  551}
   (  segid "   A" and resid 121  and name  HG2#)
   (( segid "   A" and resid 120  and name  HA  ))
      2.838     1.118     1.419 peak   551 weight  1.00000E+00 volume  1.75134E+06 ppm1      4.162 ppm2      0.949

 ASSI {  552}
   (( segid "   A" and resid 115  and name  HA  ))
   (( segid "   A" and resid 120  and name  HA  ))
      3.337     1.617     1.668 peak   552 weight  1.00000E+00 volume  6.63571E+05 ppm1      4.162 ppm2      5.330

 ASSI {  553}
   (( segid "   A" and resid 122  and name  HN  ))
   (( segid "   A" and resid 120  and name  HA  ))
      3.590     1.795     1.795 peak   553 weight  1.00000E+00 volume  4.27947E+05 ppm1      4.160 ppm2      7.409

 ASSI {  554}
   (( segid "   A" and resid 121  and name  HN  ))
   (( segid "   A" and resid 120  and name  HA  ))
      3.124     1.404     1.562 peak   554 weight  1.00000E+00 volume  6.51466E+04 ppm1      4.162 ppm2      8.971

 ASSI {  557}
   (( segid "   A" and resid 121  and name  HB  ))
   (( segid "   A" and resid 121  and name  HA  ))
      2.817     1.097     1.408 peak   557 weight  1.00000E+00 volume  1.83248E+06 ppm1      1.916 ppm2      4.589

 ASSI {  560}
   (( segid "   A" and resid 121  and name  HN  ))
   (( segid "   A" and resid 121  and name  HB  ))
      3.460     1.730     1.730 peak   560 weight  1.00000E+00 volume  3.48714E+04 ppm1      1.916 ppm2      8.973

 ASSI {  564}
   (( segid "   A" and resid 123  and name  HN  ))
   (( segid "   A" and resid 122  and name  HA1 ))
      3.193     1.473     1.596 peak   564 weight  1.00000E+00 volume  6.58809E+04 ppm1      4.093 ppm2      8.328

 ASSI {  565}
   (( segid "   A" and resid 123  and name  HN  ))
   (( segid "   A" and resid 122  and name  HA2 ))
      3.255     1.535     1.627 peak   565 weight  1.00000E+00 volume  7.44640E+04 ppm1      4.170 ppm2      8.324

 ASSI {  566}
   (( segid "   A" and resid 122  and name  HN  ))
   (( segid "   A" and resid 122  and name  HA2 ))
      3.543     1.771     1.771 peak   566 weight  1.00000E+00 volume  4.62980E+05 ppm1      4.172 ppm2      7.418

 ASSI {  567}
   (( segid "   A" and resid 122  and name  HN  ))
   (( segid "   A" and resid 122  and name  HA1 ))
      3.773     1.887     1.887 peak   567 weight  1.00000E+00 volume  3.17189E+05 ppm1      4.086 ppm2      7.408

 ASSI {  573}
   (( segid "   A" and resid 125  and name  HN  ))
   (( segid "   A" and resid 124  and name  HA  ))
      3.321     1.601     1.660 peak   573 weight  1.00000E+00 volume  6.82826E+05 ppm1      4.585 ppm2      8.811

 ASSI {  579}
   (( segid "   A" and resid 125  and name  HN  ))
   (( segid "   A" and resid 125  and name  HB2 ))
      3.621     1.811     1.811 peak   579 weight  1.00000E+00 volume  4.05980E+05 ppm1      1.585 ppm2      8.833

 ASSI {  585}
   (( segid "   A" and resid 127  and name  HN  ))
   (( segid "   A" and resid 126  and name  HA  ))
      3.185     1.465     1.593 peak   585 weight  1.00000E+00 volume  8.76431E+05 ppm1      4.507 ppm2      8.624

 ASSI {  587}
   (( segid "   A" and resid 127  and name  HA  ))
   (( segid "   A" and resid 127  and name  HB2 ))
      2.803     1.083     1.401 peak   587 weight  1.00000E+00 volume  1.88938E+06 ppm1      3.776 ppm2      1.853

 ASSI {  594}
   (( segid "   A" and resid 128  and name  HN  ))
   (( segid "   A" and resid 127  and name  HA  ))
      3.622     1.811     1.811 peak   594 weight  1.00000E+00 volume  2.31575E+04 ppm1      3.772 ppm2      7.419

 ASSI {  598}
   (( segid "   A" and resid 176  and name  HN  ))
   (( segid "   A" and resid 128  and name  HA  ))
      3.832     1.916     1.916 peak   598 weight  1.00000E+00 volume  2.26422E+04 ppm1      5.434 ppm2      8.265

 ASSI {  599}
   (( segid "   A" and resid 129  and name  HN  ))
   (( segid "   A" and resid 128  and name  HA  ))
      3.055     1.335     1.527 peak   599 weight  1.00000E+00 volume  1.12659E+06 ppm1      5.434 ppm2      8.543

 ASSI {  601}
   (( segid "   A" and resid 128  and name  HB  ))
   (( segid "   A" and resid 128  and name  HA  ))
      3.194     1.474     1.597 peak   601 weight  1.00000E+00 volume  8.61825E+05 ppm1      5.432 ppm2      3.952

 ASSI {  602}
   (( segid "   A" and resid 128  and name  HA  ))
   (  segid "   A" and resid 128  and name  HG2#)
      2.998     1.278     1.499 peak   602 weight  1.00000E+00 volume  1.26068E+06 ppm1      5.436 ppm2      0.954

 ASSI {  605}
   (( segid "   A" and resid 128  and name  HB  ))
   (  segid "   A" and resid 128  and name  HG2#)
      2.949     1.229     1.474 peak   605 weight  1.00000E+00 volume  8.41892E+04 ppm1      3.955 ppm2      0.962

 ASSI {  607}
   (( segid "   A" and resid 128  and name  HB  ))
   (( segid "   A" and resid 128  and name  HA  ))
      3.238     1.518     1.619 peak   607 weight  1.00000E+00 volume  4.37202E+04 ppm1      3.959 ppm2      5.430

 ASSI {  608}
   (( segid "   A" and resid 129  and name  HN  ))
   (( segid "   A" and resid 128  and name  HB  ))
      3.473     1.736     1.736 peak   608 weight  1.00000E+00 volume  3.46194E+04 ppm1      3.959 ppm2      8.536

 ASSI {  613}
   (( segid "   A" and resid 130  and name  HN  ))
   (( segid "   A" and resid 129  and name  HA  ))
      2.903     1.183     1.452 peak   613 weight  1.00000E+00 volume  1.09828E+05 ppm1      4.626 ppm2      8.037

 ASSI {  615}
   (( segid "   A" and resid 129  and name  HA  ))
   (( segid "   A" and resid 129  and name  HB  ))
      2.775     1.055     1.388 peak   615 weight  1.00000E+00 volume  1.63776E+05 ppm1      4.621 ppm2      1.977

 ASSI {  616}
   (  segid "   A" and resid 129  and name  HG1#)
   (( segid "   A" and resid 129  and name  HA  ))
      2.852     1.132     1.426 peak   616 weight  1.00000E+00 volume  1.25232E+05 ppm1      4.626 ppm2      0.884

 ASSI {  618}
   (( segid "   A" and resid 130  and name  HN  ))
   (( segid "   A" and resid 129  and name  HB  ))
      3.147     1.427     1.574 peak   618 weight  1.00000E+00 volume  6.44511E+04 ppm1      1.999 ppm2      8.035

 ASSI {  624}
   (( segid "   A" and resid 131  and name  HA  ))
   (( segid "   A" and resid 131  and name  HB2 ))
      3.362     1.642     1.681 peak   624 weight  1.00000E+00 volume  6.33928E+05 ppm1      5.155 ppm2      1.734

 ASSI {  626}
   (( segid "   A" and resid 132  and name  HN  ))
   (( segid "   A" and resid 131  and name  HA  ))
      3.647     1.824     1.824 peak   626 weight  1.00000E+00 volume  3.88969E+05 ppm1      5.158 ppm2      9.733

 ASSI {  628}
   (( segid "   A" and resid 133  and name  HN  ))
   (( segid "   A" and resid 132  and name  HA  ))
      3.239     1.519     1.619 peak   628 weight  1.00000E+00 volume  7.93356E+05 ppm1      4.785 ppm2      9.190

 ASSI {  629}
   (( segid "   A" and resid 172  and name  HN  ))
   (( segid "   A" and resid 132  and name  HA  ))
      3.403     1.683     1.702 peak   629 weight  1.00000E+00 volume  5.89499E+05 ppm1      4.791 ppm2      9.287

 ASSI {  630}
   (  segid "   A" and resid 132  and name  HG2#)
   (( segid "   A" and resid 132  and name  HA  ))
      2.994     1.274     1.497 peak   630 weight  1.00000E+00 volume  1.27010E+06 ppm1      4.788 ppm2      1.088

 ASSI {  653}
   (( segid "   A" and resid 153  and name  HN  ))
   (( segid "   A" and resid 136  and name  HB  ))
      3.880     1.940     1.940 peak   653 weight  1.00000E+00 volume  2.68512E+05 ppm1      4.322 ppm2      9.139

 ASSI {  654}
   (( segid "   A" and resid 152  and name  HA  ))
   (( segid "   A" and resid 136  and name  HB  ))
      3.548     1.774     1.774 peak   654 weight  1.00000E+00 volume  4.58579E+05 ppm1      4.323 ppm2      4.928

 ASSI {  660}
   (( segid "   A" and resid 149  and name  HN  ))
   (( segid "   A" and resid 148  and name  HA  ))
      3.017     1.297     1.509 peak   660 weight  1.00000E+00 volume  1.16311E+05 ppm1      4.405 ppm2      7.889

 ASSI {  664}
   (( segid "   A" and resid 148  and name  HA  ))
   (  segid "   A" and resid 148  and name  HB# )
      2.267     0.547     1.134 peak   664 weight  1.00000E+00 volume  5.47066E+05 ppm1      4.403 ppm2      1.419

 ASSI {  666}
   (( segid "   A" and resid 149  and name  HN  ))
   (  segid "   A" and resid 148  and name  HB# )
      3.140     1.420     1.570 peak   666 weight  1.00000E+00 volume  1.05611E+05 ppm1      1.403 ppm2      7.882

 ASSI {  670}
   (( segid "   A" and resid 150  and name  HN  ))
   (( segid "   A" and resid 149  and name  HA  ))
      3.215     1.495     1.608 peak   670 weight  1.00000E+00 volume  5.75201E+04 ppm1      4.787 ppm2      9.085

 ASSI {  673}
   (( segid "   A" and resid 149  and name  HA  ))
   (  segid "   A" and resid 149  and name  HG2#)
      2.625     0.905     1.313 peak   673 weight  1.00000E+00 volume  1.64844E+05 ppm1      4.788 ppm2      0.834

 ASSI {  674}
   (  segid "   A" and resid 164  and name  HD1#)
   (( segid "   A" and resid 149  and name  HA  ))
      2.966     1.246     1.483 peak   674 weight  1.00000E+00 volume  1.34444E+06 ppm1      4.782 ppm2      0.627

 ASSI {  675}
   (( segid "   A" and resid 149  and name  HB  ))
   (  segid "   A" and resid 149  and name  HG2#)
      2.846     1.126     1.423 peak   675 weight  1.00000E+00 volume  1.22977E+05 ppm1      3.930 ppm2      0.822

 ASSI {  677}
   (( segid "   A" and resid 150  and name  HN  ))
   (( segid "   A" and resid 149  and name  HB  ))
      3.274     1.554     1.637 peak   677 weight  1.00000E+00 volume  7.44019E+05 ppm1      3.927 ppm2      9.085

 ASSI {  678}
   (( segid "   A" and resid 162  and name  HN  ))
   (( segid "   A" and resid 149  and name  HB  ))
      3.838     1.919     1.919 peak   678 weight  1.00000E+00 volume  2.86591E+05 ppm1      3.921 ppm2      9.278

 ASSI {  679}
   (( segid "   A" and resid 152  and name  HN  ))
   (( segid "   A" and resid 151  and name  HB2 ))
      2.981     1.261     1.491 peak   679 weight  1.00000E+00 volume  1.30437E+06 ppm1      3.606 ppm2      9.191

 ASSI {  680}
   (( segid "   A" and resid 151  and name  HB2 ))
   (( segid "   A" and resid 151  and name  HN  ))
      2.864     1.144     1.432 peak   680 weight  1.00000E+00 volume  1.65979E+06 ppm1      3.604 ppm2      8.530

 ASSI {  683}
   (( segid "   A" and resid 152  and name  HA  ))
   (  segid "   A" and resid 152  and name  HB# )
      3.269     1.549     1.635 peak   683 weight  1.00000E+00 volume  7.49623E+05 ppm1      4.925 ppm2      1.221

 ASSI {  685}
   (( segid "   A" and resid 153  and name  HN  ))
   (( segid "   A" and resid 152  and name  HA  ))
      3.433     1.713     1.717 peak   685 weight  1.00000E+00 volume  5.59085E+05 ppm1      4.927 ppm2      9.126

 ASSI {  687}
   (  segid "   A" and resid 160  and name  HD1#)
   (  segid "   A" and resid 152  and name  HB# )
      2.418     0.698     1.209 peak   687 weight  1.00000E+00 volume  4.58068E+06 ppm1      1.226 ppm2      0.739

 ASSI {  688}
   (  segid "   A" and resid 162  and name  HG1#)
   (  segid "   A" and resid 152  and name  HB# )
      2.890     1.170     1.445 peak   688 weight  1.00000E+00 volume  1.57061E+06 ppm1      1.222 ppm2      0.537

 ASSI {  691}
   (( segid "   A" and resid 154  and name  HN  ))
   (( segid "   A" and resid 153  and name  HA  ))
      3.418     1.698     1.709 peak   691 weight  1.00000E+00 volume  5.74081E+05 ppm1      5.115 ppm2      8.762

 ASSI {  693}
   (( segid "   A" and resid 155  and name  HN  ))
   (( segid "   A" and resid 154  and name  HA  ))
      3.337     1.617     1.669 peak   693 weight  1.00000E+00 volume  6.62638E+05 ppm1      4.252 ppm2      8.415

 ASSI {  699}
   (( segid "   A" and resid 155  and name  HG2 ))
   (( segid "   A" and resid 155  and name  HA  ))
      2.883     1.163     1.442 peak   699 weight  1.00000E+00 volume  1.59417E+06 ppm1      4.274 ppm2      2.451

 ASSI {  702}
   (( segid "   A" and resid 156  and name  HN  ))
   (( segid "   A" and resid 156  and name  HA  ))
      3.394     1.674     1.697 peak   702 weight  1.00000E+00 volume  5.98534E+05 ppm1      4.473 ppm2      6.734

 ASSI {  724}
   (( segid "   A" and resid 159  and name  HA  ))
   (( segid "   A" and resid 159  and name  HB  ))
      3.542     1.771     1.771 peak   724 weight  1.00000E+00 volume  1.78938E+04 ppm1      3.642 ppm2      5.217

 ASSI {  725}
   (( segid "   A" and resid 159  and name  HN  ))
   (( segid "   A" and resid 159  and name  HB  ))
      3.070     1.350     1.535 peak   725 weight  1.00000E+00 volume  4.55259E+04 ppm1      3.642 ppm2      7.257

 ASSI {  729}
   (( segid "   A" and resid 162  and name  HN  ))
   (( segid "   A" and resid 161  and name  HA  ))
      2.988     1.268     1.494 peak   729 weight  1.00000E+00 volume  8.33305E+04 ppm1      5.313 ppm2      9.278

 ASSI {  730}
   (( segid "   A" and resid 161  and name  HA  ))
   (( segid "   A" and resid 151  and name  HA  ))
      3.046     1.326     1.523 peak   730 weight  1.00000E+00 volume  5.21594E+04 ppm1      5.313 ppm2      4.685

 ASSI {  737}
   (( segid "   A" and resid 164  and name  HN  ))
   (( segid "   A" and resid 163  and name  HA  ))
      3.202     1.482     1.601 peak   737 weight  1.00000E+00 volume  3.89388E+04 ppm1      4.278 ppm2      7.815

 ASSI {  742}
   (( segid "   A" and resid 164  and name  HA  ))
   (  segid "   A" and resid 164  and name  HD2#)
      3.234     1.514     1.617 peak   742 weight  1.00000E+00 volume  8.00077E+05 ppm1      3.527 ppm2      0.844

 ASSI {  743}
   (( segid "   A" and resid 164  and name  HA  ))
   (  segid "   A" and resid 164  and name  HD1#)
      3.238     1.518     1.619 peak   743 weight  1.00000E+00 volume  7.94386E+05 ppm1      3.523 ppm2      0.627

 ASSI {  748}
   (( segid "   A" and resid 165  and name  HA  ))
   (( segid "   A" and resid 165  and name  HB2 ))
      3.268     1.548     1.634 peak   748 weight  1.00000E+00 volume  7.51635E+05 ppm1      3.480 ppm2      4.498

 ASSI {  749}
   (( segid "   A" and resid 165  and name  HB2 ))
   (  segid "   A" and resid 165  and name  HD# )
      3.425     1.705     1.713 peak   749 weight  1.00000E+00 volume  5.66906E+05 ppm1      3.465 ppm2      7.101

 ASSI {  750}
   (( segid "   A" and resid 167  and name  HN  ))
   (( segid "   A" and resid 166  and name  HA  ))
      2.944     1.224     1.472 peak   750 weight  1.00000E+00 volume  1.40643E+06 ppm1      3.810 ppm2      9.136

 ASSI {  753}
   (( segid "   A" and resid 166  and name  HA  ))
   (  segid "   A" and resid 166  and name  HG1#)
      2.902     1.182     1.451 peak   753 weight  1.00000E+00 volume  1.53188E+06 ppm1      3.809 ppm2      0.682

 ASSI {  754}
   (( segid "   A" and resid 168  and name  HN  ))
   (( segid "   A" and resid 167  and name  HA  ))
      3.068     1.348     1.534 peak   754 weight  1.00000E+00 volume  7.91560E+04 ppm1      5.053 ppm2      8.793

 ASSI {  755}
   (( segid "   A" and resid 167  and name  HA  ))
   (( segid "   A" and resid 167  and name  HN  ))
      3.760     1.880     1.880 peak   755 weight  1.00000E+00 volume  3.61126E+04 ppm1      5.054 ppm2      9.153

 ASSI {  757}
   (( segid "   A" and resid 167  and name  HA  ))
   (( segid "   A" and resid 167  and name  HB2 ))
      3.206     1.486     1.603 peak   757 weight  1.00000E+00 volume  8.43675E+05 ppm1      5.056 ppm2      2.670

 ASSI {  759}
   (( segid "   A" and resid 167  and name  HA  ))
   (( segid "   A" and resid 167  and name  HB1 ))
      3.707     1.853     1.853 peak   759 weight  1.00000E+00 volume  3.52969E+05 ppm1      2.603 ppm2      5.057

 ASSI {  760}
   (( segid "   A" and resid 168  and name  HN  ))
   (( segid "   A" and resid 167  and name  HB1 ))
      3.520     1.760     1.760 peak   760 weight  1.00000E+00 volume  4.80962E+05 ppm1      2.608 ppm2      8.789

 ASSI {  761}
   (( segid "   A" and resid 168  and name  HN  ))
   (( segid "   A" and resid 167  and name  HB2 ))
      3.350     1.630     1.675 peak   761 weight  1.00000E+00 volume  6.47398E+05 ppm1      2.692 ppm2      8.785

 ASSI {  762}
   (( segid "   A" and resid 167  and name  HA  ))
   (( segid "   A" and resid 167  and name  HB2 ))
      3.586     1.793     1.793 peak   762 weight  1.00000E+00 volume  4.30852E+05 ppm1      2.693 ppm2      5.045

 ASSI {  765}
   (( segid "   A" and resid 169  and name  HN  ))
   (( segid "   A" and resid 169  and name  HA1 ))
      3.500     1.750     1.750 peak   765 weight  1.00000E+00 volume  4.98121E+05 ppm1      3.475 ppm2      8.797

 ASSI {  766}
   (( segid "   A" and resid 169  and name  HN  ))
   (( segid "   A" and resid 169  and name  HA2 ))
      3.812     1.906     1.906 peak   766 weight  1.00000E+00 volume  2.98511E+05 ppm1      4.386 ppm2      8.792

 ASSI {  767}
   (( segid "   A" and resid 169  and name  HA2 ))
   (( segid "   A" and resid 169  and name  HA1 ))
      2.938     1.218     1.469 peak   767 weight  1.00000E+00 volume  1.42287E+06 ppm1      3.469 ppm2      4.391

 ASSI {  768}
   (( segid "   A" and resid 169  and name  HA2 ))
   (  segid "   A" and resid 132  and name  HG2#)
      3.413     1.693     1.707 peak   768 weight  1.00000E+00 volume  5.78935E+05 ppm1      4.387 ppm2      1.089

 ASSI {  769}
   (( segid "   A" and resid 169  and name  HA1 ))
   (  segid "   A" and resid 132  and name  HG2#)
      3.710     1.855     1.855 peak   769 weight  1.00000E+00 volume  3.51067E+05 ppm1      3.467 ppm2      1.093

 ASSI {  772}
   (( segid "   A" and resid 171  and name  HN  ))
   (( segid "   A" and resid 170  and name  HA  ))
      3.288     1.568     1.644 peak   772 weight  1.00000E+00 volume  5.94299E+04 ppm1      4.643 ppm2      8.654

 ASSI {  776}
   (( segid "   A" and resid 172  and name  HN  ))
   (( segid "   A" and resid 171  and name  HA  ))
      3.388     1.668     1.694 peak   776 weight  1.00000E+00 volume  4.71632E+04 ppm1      4.329 ppm2      9.318

 ASSI {  777}
   (( segid "   A" and resid 173  and name  HN  ))
   (( segid "   A" and resid 172  and name  HA  ))
      3.401     1.681     1.700 peak   777 weight  1.00000E+00 volume  5.91698E+05 ppm1      4.988 ppm2      8.783

 ASSI {  782}
   (( segid "   A" and resid 182  and name  HN  ))
   (( segid "   A" and resid 174  and name  HA  ))
      2.684     0.964     1.342 peak   782 weight  1.00000E+00 volume  2.44949E+06 ppm1      4.611 ppm2      8.480

 ASSI {  785}
   (( segid "   A" and resid 176  and name  HN  ))
   (( segid "   A" and resid 175  and name  HA  ))
      3.291     1.571     1.645 peak   785 weight  1.00000E+00 volume  4.79959E+04 ppm1      4.818 ppm2      8.284

 ASSI {  786}
   (( segid "   A" and resid 175  and name  HN  ))
   (( segid "   A" and resid 175  and name  HA  ))
      3.792     1.896     1.896 peak   786 weight  1.00000E+00 volume  1.87240E+04 ppm1      4.824 ppm2      8.871

 ASSI {  787}
   (( segid "   A" and resid 128  and name  HB  ))
   (( segid "   A" and resid 175  and name  HA  ))
      3.050     1.330     1.525 peak   787 weight  1.00000E+00 volume  4.14134E+04 ppm1      4.824 ppm2      3.985

 ASSI {  792}
   (( segid "   A" and resid 176  and name  HA  ))
   (( segid "   A" and resid 176  and name  HB  ))
      3.002     1.282     1.501 peak   792 weight  1.00000E+00 volume  5.26170E+04 ppm1      2.878 ppm2      3.768

 ASSI {  794}
   (( segid "   A" and resid 176  and name  HA  ))
   (( segid "   A" and resid 176  and name  HB  ))
      3.087     1.367     1.544 peak   794 weight  1.00000E+00 volume  5.96035E+04 ppm1      3.755 ppm2      2.886

 ASSI {  804}
   (( segid "   A" and resid 180  and name  HB2 ))
   (( segid "   A" and resid 180  and name  HA  ))
      2.973     1.253     1.487 peak   804 weight  1.00000E+00 volume  6.26944E+04 ppm1      4.600 ppm2      3.867

 ASSI {  805}
   (( segid "   A" and resid 180  and name  HN  ))
   (( segid "   A" and resid 180  and name  HA  ))
      3.622     1.811     1.811 peak   805 weight  1.00000E+00 volume  2.22632E+04 ppm1      4.588 ppm2      8.091

 ASSI {  810}
   (( segid "   A" and resid 182  and name  HN  ))
   (( segid "   A" and resid 181  and name  HA  ))
      2.703     0.983     1.351 peak   810 weight  1.00000E+00 volume  1.73025E+05 ppm1      4.621 ppm2      8.486

 ASSI {  816}
   (( segid "   A" and resid 182  and name  HA  ))
   (  segid "   A" and resid 182  and name  HD1#)
      3.189     1.469     1.594 peak   816 weight  1.00000E+00 volume  8.70702E+05 ppm1      4.010 ppm2      0.998

 ASSI {  817}
   (  segid "   A" and resid 48   and name  HB# )
   (( segid "   A" and resid 43   and name  HB2 ))
      3.396     1.676     1.698 peak   817 weight  1.00000E+00 volume  5.37936E+04 ppm1      1.401 ppm2      2.905

 ASSI {  821}
   (( segid "   A" and resid 68   and name  HB2 ))
   (( segid "   A" and resid 113  and name  HB  ))
      2.623     0.903     1.311 peak   821 weight  1.00000E+00 volume  1.17128E+05 ppm1      1.654 ppm2      1.802

 ASSI {  822}
   (( segid "   A" and resid 85   and name  HB2 ))
   (( segid "   A" and resid 69   and name  HB2 ))
      3.741     1.871     1.871 peak   822 weight  1.00000E+00 volume  3.33766E+05 ppm1      2.638 ppm2      1.758

 ASSI {  824}
   (  segid "   A" and resid 129  and name  HG1#)
   (( segid "   A" and resid 104  and name  HB2 ))
      3.846     1.923     1.923 peak   824 weight  1.00000E+00 volume  -2.82784E+05 ppm1      0.918 ppm2      3.166

 ASSI {  825}
   (  segid "   A" and resid 129  and name  HG1#)
   (( segid "   A" and resid 104  and name  HB2 ))
      3.574     1.787     1.787 peak   825 weight  1.00000E+00 volume  1.77116E+04 ppm1      3.159 ppm2      0.920

 ASSI {  827}
   (( segid "   A" and resid 166  and name  HB  ))
   (( segid "   A" and resid 162  and name  HB  ))
      3.055     1.335     1.528 peak   827 weight  1.00000E+00 volume  2.51828E+04 ppm1      1.727 ppm2      2.258

 ASSI {  828}
   (( segid "   A" and resid 166  and name  HB  ))
   (( segid "   A" and resid 162  and name  HB  ))
      3.120     1.400     1.560 peak   828 weight  1.00000E+00 volume  2.27095E+04 ppm1      2.256 ppm2      1.724

 ASSI {  829}
   (  segid "   A" and resid 166  and name  HG1#)
   (( segid "   A" and resid 162  and name  HB  ))
      2.790     1.070     1.395 peak   829 weight  1.00000E+00 volume  9.90955E+04 ppm1      0.674 ppm2      2.263

 ASSI {  830}
   (  segid "   A" and resid 166  and name  HG1#)
   (( segid "   A" and resid 162  and name  HB  ))
      3.006     1.286     1.503 peak   830 weight  1.00000E+00 volume  3.00552E+04 ppm1      2.259 ppm2      0.669

 ASSI {  831}
   (  segid "   A" and resid 166  and name  HG1#)
   (  segid "   A" and resid 152  and name  HB# )
      2.607     0.887     1.304 peak   831 weight  1.00000E+00 volume  1.90868E+05 ppm1      1.223 ppm2      0.682

 ASSI {  836}
   (  segid "   A" and resid 152  and name  HB# )
   (  segid "   A" and resid 133  and name  HG1#)
      2.403     0.683     1.201 peak   836 weight  1.00000E+00 volume  4.76059E+06 ppm1      0.974 ppm2      1.225

 ASSI {  837}
   (  segid "   A" and resid 152  and name  HB# )
   (  segid "   A" and resid 133  and name  HG1#)
      2.890     1.170     1.445 peak   837 weight  1.00000E+00 volume  1.57063E+06 ppm1      1.222 ppm2      0.975

 ASSI {  839}
   (  segid "   A" and resid 22   and name  HG1#)
   (  segid "   A" and resid 22   and name  HG2#)
      2.729     1.009     1.365 peak   839 weight  1.00000E+00 volume  2.21523E+06 ppm1      0.700 ppm2      0.343

 ASSI {  840}
   (  segid "   A" and resid 22   and name  HG1#)
   (( segid "   A" and resid 7    and name  HB2 ))
      3.804     1.902     1.902 peak   840 weight  1.00000E+00 volume  3.13822E+04 ppm1      2.430 ppm2      0.701

 ASSI {  841}
   (  segid "   A" and resid 22   and name  HG1#)
   (  segid "   A" and resid 7    and name  HE# )
      2.804     1.084     1.402 peak   841 weight  1.00000E+00 volume  1.88811E+05 ppm1      0.706 ppm2      6.554

 ASSI {  842}
   (  segid "   A" and resid 22   and name  HG2#)
   (  segid "   A" and resid 7    and name  HE# )
      3.661     1.830     1.830 peak   842 weight  1.00000E+00 volume  4.69112E+04 ppm1      0.325 ppm2      6.560

 ASSI {  843}
   (  segid "   A" and resid 22   and name  HG2#)
   (  segid "   A" and resid 7    and name  HD# )
      3.433     1.713     1.717 peak   843 weight  1.00000E+00 volume  4.63981E+04 ppm1      0.333 ppm2      6.714

 ASSI {  845}
   (( segid "   A" and resid 54   and name  HB2 ))
   (  segid "   A" and resid 7    and name  HD# )
      7.475     3.737     0.525 peak   845 weight  1.00000E+00 volume  2.75281E+04 ppm1      2.976 ppm2      6.710

 ASSI {  848}
   (( segid "   A" and resid 39   and name  HB2 ))
   (  segid "   A" and resid 7    and name  HD# )
      3.656     1.828     1.828 peak   848 weight  1.00000E+00 volume  2.00306E+04 ppm1      3.903 ppm2      6.708

 ASSI {  851}
   (  segid "   A" and resid 37   and name  HG1#)
   (  segid "   A" and resid 7    and name  HD# )
      2.932     1.212     1.466 peak   851 weight  1.00000E+00 volume  5.43546E+04 ppm1      0.566 ppm2      6.754

 ASSI {  852}
   (  segid "   A" and resid 37   and name  HG1#)
   (  segid "   A" and resid 7    and name  HE# )
      3.421     1.701     1.710 peak   852 weight  1.00000E+00 volume  1.97280E+04 ppm1      0.565 ppm2      6.585

 ASSI {  853}
   (  segid "   A" and resid 7    and name  HE# )
   (( segid "   A" and resid 37   and name  HB  ))
      4.053     2.026     2.026 peak   853 weight  1.00000E+00 volume  2.06692E+05 ppm1      1.670 ppm2      6.624

 ASSI {  855}
   (( segid "   A" and resid 54   and name  HB2 ))
   (( segid "   A" and resid 4    and name  HB  ))
      3.299     1.579     1.649 peak   855 weight  1.00000E+00 volume  5.56021E+04 ppm1      2.986 ppm2      1.900

 ASSI {  856}
   (( segid "   A" and resid 54   and name  HB2 ))
   (( segid "   A" and resid 4    and name  HB  ))
      3.942     1.971     1.971 peak   856 weight  1.00000E+00 volume  1.61960E+04 ppm1      1.911 ppm2      2.990

 ASSI {  857}
   (( segid "   A" and resid 54   and name  HB2 ))
   (( segid "   A" and resid 37   and name  HB  ))
      3.292     1.572     1.646 peak   857 weight  1.00000E+00 volume  7.19353E+05 ppm1      1.662 ppm2      2.990

 ASSI {  860}
   (  segid "   A" and resid 54   and name  HD# )
   (( segid "   A" and resid 37   and name  HB  ))
      3.438     1.718     1.719 peak   860 weight  1.00000E+00 volume  5.54551E+05 ppm1      1.672 ppm2      7.040

 ASSI {  861}
   (( segid "   A" and resid 25   and name  HA  ))
   (( segid "   A" and resid 25   and name  HB2 ))
      3.615     1.807     1.807 peak   861 weight  1.00000E+00 volume  4.10455E+05 ppm1      5.448 ppm2      3.187

 ASSI {  862}
   (( segid "   A" and resid 25   and name  HA  ))
   (( segid "   A" and resid 25   and name  HB1 ))
      3.638     1.819     1.819 peak   862 weight  1.00000E+00 volume  3.95224E+05 ppm1      5.460 ppm2      2.713

 ASSI {  863}
   (( segid "   A" and resid 7    and name  HB1 ))
   (( segid "   A" and resid 25   and name  HB2 ))
      4.002     2.001     2.001 peak   863 weight  1.00000E+00 volume  -2.22940E+05 ppm1      2.311 ppm2      3.179

 ASSI {  864}
   (  segid "   A" and resid 22   and name  HG1#)
   (( segid "   A" and resid 25   and name  HB2 ))
      3.080     1.360     1.540 peak   864 weight  1.00000E+00 volume  -1.07261E+06 ppm1      0.701 ppm2      3.178

 ASSI {  865}
   (  segid "   A" and resid 22   and name  HG1#)
   (( segid "   A" and resid 25   and name  HB2 ))
      3.509     1.755     1.755 peak   865 weight  1.00000E+00 volume  4.90348E+05 ppm1      3.185 ppm2      0.690

 ASSI {  866}
   (( segid "   A" and resid 28   and name  HA  ))
   (( segid "   A" and resid 28   and name  HB  ))
      3.491     1.746     1.746 peak   866 weight  1.00000E+00 volume  5.05564E+05 ppm1      3.971 ppm2      2.083

 ASSI {  869}
   (  segid "   A" and resid 54   and name  HE# )
   (  segid "   A" and resid 22   and name  HG2#)
      3.501     1.751     1.751 peak   869 weight  1.00000E+00 volume  4.96971E+05 ppm1      0.330 ppm2      7.168

 ASSI {  870}
   (  segid "   A" and resid 54   and name  HD# )
   (  segid "   A" and resid 22   and name  HG2#)
      5.400     2.700     2.600 peak   870 weight  1.00000E+00 volume  2.30180E+04 ppm1      0.330 ppm2      7.043

 ASSI {  871}
   (  segid "   A" and resid 22   and name  HG2#)
   (( segid "   A" and resid 11   and name  HB2 ))
      2.615     0.895     1.307 peak   871 weight  1.00000E+00 volume  2.86620E+06 ppm1      0.323 ppm2      1.380

 ASSI {  872}
   (  segid "   A" and resid 13   and name  HD1#)
   (  segid "   A" and resid 7    and name  HE# )
      4.362     2.181     2.181 peak   872 weight  1.00000E+00 volume  1.32832E+05 ppm1      0.458 ppm2      6.565

 ASSI {  880}
   (( segid "   A" and resid 39   and name  HB2 ))
   (( segid "   A" and resid 41   and name  HB2 ))
      4.054     2.027     2.027 peak   880 weight  1.00000E+00 volume  1.52871E+04 ppm1      3.913 ppm2      1.585

 ASSI {  882}
   (( segid "   A" and resid 2    and name  HB  ))
   (( segid "   A" and resid 2    and name  HA  ))
      3.220     1.500     1.610 peak   882 weight  1.00000E+00 volume  5.86662E+04 ppm1      1.734 ppm2      4.331

 ASSI {  883}
   (  segid "   A" and resid 7    and name  HE# )
   (( segid "   A" and resid 2    and name  HB  ))
      4.701     2.350     2.350 peak   883 weight  1.00000E+00 volume  1.82660E+04 ppm1      1.728 ppm2      6.610

 ASSI {  887}
   (  segid "   A" and resid 54   and name  HE# )
   (( segid "   A" and resid 15   and name  HB  ))
      3.470     1.735     1.735 peak   887 weight  1.00000E+00 volume  5.24799E+05 ppm1      2.096 ppm2      7.170

 ASSI {  889}
   (( segid "   A" and resid 14   and name  HB2 ))
   (  segid "   A" and resid 63   and name  HB# )
      3.674     1.837     1.837 peak   889 weight  1.00000E+00 volume  3.72075E+05 ppm1      0.857 ppm2      3.489

 ASSI {  890}
   (( segid "   A" and resid 14   and name  HB2 ))
   (  segid "   A" and resid 63   and name  HB# )
      3.489     1.745     1.745 peak   890 weight  1.00000E+00 volume  5.07144E+05 ppm1      3.490 ppm2      0.854

 ASSI {  891}
   (( segid "   A" and resid 12   and name  HB  ))
   (  segid "   A" and resid 63   and name  HB# )
      3.054     1.334     1.527 peak   891 weight  1.00000E+00 volume  1.12805E+06 ppm1      0.854 ppm2      3.973

 ASSI {  892}
   (( segid "   A" and resid 12   and name  HB  ))
   (  segid "   A" and resid 63   and name  HB# )
      2.907     1.187     1.454 peak   892 weight  1.00000E+00 volume  1.51573E+06 ppm1      3.971 ppm2      0.854

 ASSI {  895}
   (  segid "   A" and resid 63   and name  HB# )
   (( segid "   A" and resid 19   and name  HB  ))
      2.450     0.730     1.225 peak   895 weight  1.00000E+00 volume  4.23834E+06 ppm1      1.765 ppm2      0.860

 ASSI {  896}
   (( segid "   A" and resid 44   and name  HB2 ))
   (( segid "   A" and resid 19   and name  HB  ))
      3.048     1.328     1.524 peak   896 weight  1.00000E+00 volume  1.14092E+06 ppm1      1.772 ppm2      1.455

 ASSI {  897}
   (( segid "   A" and resid 43   and name  HB2 ))
   (  segid "   A" and resid 18   and name  HB# )
      3.661     1.831     1.831 peak   897 weight  1.00000E+00 volume  -3.80244E+05 ppm1      1.107 ppm2      2.916

 ASSI {  898}
   (( segid "   A" and resid 16   and name  HA  ))
   (( segid "   A" and resid 16   and name  HB2 ))
      2.664     0.944     1.332 peak   898 weight  1.00000E+00 volume  2.56406E+06 ppm1      4.531 ppm2      2.864

 ASSI {  899}
   (( segid "   A" and resid 45   and name  HB2 ))
   (( segid "   A" and resid 43   and name  HB2 ))
      4.901     2.451     2.451 peak   899 weight  1.00000E+00 volume  -6.60254E+04 ppm1      1.790 ppm2      2.897

 ASSI {  901}
   (( segid "   A" and resid 38   and name  HB1 ))
   (( segid "   A" and resid 26   and name  HB2 ))
      2.131     0.411     1.066 peak   901 weight  1.00000E+00 volume  3.77648E+05 ppm1      1.695 ppm2      1.853

 ASSI {  902}
   (( segid "   A" and resid 38   and name  HB1 ))
   (  segid "   A" and resid 28   and name  HG1#)
      2.329     0.609     1.165 peak   902 weight  1.00000E+00 volume  4.33609E+05 ppm1      0.580 ppm2      1.694

 ASSI {  904}
   (( segid "   A" and resid 40   and name  HB2 ))
   (( segid "   A" and resid 24   and name  HB2 ))
      3.774     1.887     1.887 peak   904 weight  1.00000E+00 volume  3.16637E+05 ppm1      2.796 ppm2      1.596

 ASSI {  906}
   (( segid "   A" and resid 23   and name  HB  ))
   (( segid "   A" and resid 24   and name  HB2 ))
      3.770     1.885     1.885 peak   906 weight  1.00000E+00 volume  3.19052E+05 ppm1      2.791 ppm2      1.903

 ASSI {  907}
   (( segid "   A" and resid 23   and name  HB  ))
   (( segid "   A" and resid 40   and name  HB2 ))
      2.768     1.048     1.384 peak   907 weight  1.00000E+00 volume  2.03473E+06 ppm1      1.597 ppm2      1.912

 ASSI {  908}
   (( segid "   A" and resid 23   and name  HB  ))
   (( segid "   A" and resid 40   and name  HB2 ))
      2.899     1.179     1.449 peak   908 weight  1.00000E+00 volume  1.54316E+06 ppm1      1.914 ppm2      1.596

 ASSI {  911}
   (( segid "   A" and resid 42   and name  HB2 ))
   (( segid "   A" and resid 23   and name  HG11))
      2.443     0.723     1.222 peak   911 weight  1.00000E+00 volume  4.30464E+06 ppm1      1.811 ppm2      1.370

 ASSI {  915}
   (  segid "   A" and resid 37   and name  HG1#)
   (( segid "   A" and resid 27   and name  HB2 ))
      4.005     2.003     2.003 peak   915 weight  1.00000E+00 volume  2.21841E+05 ppm1      2.967 ppm2      0.545

 ASSI {  921}
   (( segid "   A" and resid 116  and name  HA  ))
   (( segid "   A" and resid 116  and name  HB2 ))
      3.932     1.966     1.966 peak   921 weight  1.00000E+00 volume  2.59079E+04 ppm1      4.903 ppm2      2.913

 ASSI {  923}
   (  segid "   A" and resid 121  and name  HG2#)
   (( segid "   A" and resid 116  and name  HB2 ))
      3.195     1.475     1.598 peak   923 weight  1.00000E+00 volume  8.60459E+05 ppm1      2.891 ppm2      0.939

 ASSI {  924}
   (  segid "   A" and resid 121  and name  HG2#)
   (( segid "   A" and resid 116  and name  HB2 ))
      3.084     1.364     1.542 peak   924 weight  1.00000E+00 volume  1.14084E+05 ppm1      0.932 ppm2      2.893

 ASSI {  926}
   (( segid "   A" and resid 114  and name  HA  ))
   (( segid "   A" and resid 114  and name  HB2 ))
      3.000     1.280     1.500 peak   926 weight  1.00000E+00 volume  1.02596E+05 ppm1      5.209 ppm2      2.206

 ASSI {  929}
   (( segid "   A" and resid 112  and name  HA  ))
   (( segid "   A" and resid 112  and name  HB2 ))
      3.310     1.590     1.655 peak   929 weight  1.00000E+00 volume  6.95750E+05 ppm1      5.086 ppm2      2.019

 ASSI {  932}
   (( segid "   A" and resid 119  and name  HB2 ))
   (( segid "   A" and resid 116  and name  HB2 ))
      3.708     1.854     1.854 peak   932 weight  1.00000E+00 volume  3.52172E+05 ppm1      2.900 ppm2      1.971

 ASSI {  933}
   (( segid "   A" and resid 70   and name  HB2 ))
   (( segid "   A" and resid 82   and name  HB2 ))
      2.426     0.706     1.213 peak   933 weight  1.00000E+00 volume  4.49554E+06 ppm1      2.911 ppm2      1.627

 ASSI {  937}
   (( segid "   A" and resid 101  and name  HA  ))
   (( segid "   A" and resid 101  and name  HB2 ))
      3.133     1.413     1.567 peak   937 weight  1.00000E+00 volume  9.67355E+05 ppm1      3.966 ppm2      2.260

 ASSI {  938}
   (( segid "   A" and resid 101  and name  HA  ))
   (( segid "   A" and resid 101  and name  HB1 ))
      3.474     1.737     1.737 peak   938 weight  1.00000E+00 volume  5.21125E+05 ppm1      3.969 ppm2      2.064

 ASSI {  939}
   (( segid "   A" and resid 101  and name  HA  ))
   (( segid "   A" and resid 101  and name  HB2 ))
      3.304     1.584     1.652 peak   939 weight  1.00000E+00 volume  7.04250E+05 ppm1      2.240 ppm2      3.928

 ASSI {  943}
   (  segid "   A" and resid 123  and name  HG1#)
   (( segid "   A" and resid 111  and name  HB  ))
      2.859     1.139     1.430 peak   943 weight  1.00000E+00 volume  1.67637E+06 ppm1      2.029 ppm2      0.557

 ASSI {  944}
   (  segid "   A" and resid 98   and name  HD1#)
   (( segid "   A" and resid 93   and name  HB1 ))
      3.348     1.628     1.674 peak   944 weight  1.00000E+00 volume  3.79864E+04 ppm1      1.680 ppm2      0.663

 ASSI {  945}
   (( segid "   A" and resid 93   and name  HB1 ))
   (  segid "   A" and resid 82   and name  HD# )
      3.737     1.868     1.868 peak   945 weight  1.00000E+00 volume  3.36383E+05 ppm1      1.663 ppm2      6.965

 ASSI {  946}
   (( segid "   A" and resid 83   and name  HN  ))
   (( segid "   A" and resid 70   and name  HB1 ))
      3.406     1.686     1.703 peak   946 weight  1.00000E+00 volume  5.86159E+05 ppm1      1.795 ppm2      9.326

 ASSI {  949}
   (( segid "   A" and resid 109  and name  HB1 ))
   (( segid "   A" and resid 72   and name  HB2 ))
      4.778     2.389     2.389 peak   949 weight  1.00000E+00 volume  7.69315E+04 ppm1      2.105 ppm2      2.722

 ASSI {  950}
   (( segid "   A" and resid 109  and name  HB1 ))
   (( segid "   A" and resid 72   and name  HB2 ))
      3.581     1.790     1.790 peak   950 weight  1.00000E+00 volume  4.34165E+05 ppm1      2.745 ppm2      2.108

 ASSI {  953}
   (  segid "   A" and resid 105  and name  HD1#)
   (( segid "   A" and resid 72   and name  HB2 ))
      4.986     2.493     2.493 peak   953 weight  1.00000E+00 volume  -5.95744E+04 ppm1      0.371 ppm2      2.726

 ASSI {  955}
   (  segid "   A" and resid 129  and name  HG1#)
   (( segid "   A" and resid 105  and name  HA  ))
      3.129     1.409     1.565 peak   955 weight  1.00000E+00 volume  9.75478E+05 ppm1      4.286 ppm2      0.909

 ASSI {  957}
   (  segid "   A" and resid 105  and name  HD1#)
   (  segid "   A" and resid 98   and name  HD1#)
      2.679     0.959     1.340 peak   957 weight  1.00000E+00 volume  7.88622E+04 ppm1      0.664 ppm2      0.401

 ASSI {  961}
   (( segid "   A" and resid 80   and name  HA  ))
   (( segid "   A" and resid 80   and name  HB2 ))
      2.622     0.902     1.311 peak   961 weight  1.00000E+00 volume  2.81656E+06 ppm1      4.520 ppm2      2.889

 ASSI {  962}
   (( segid "   A" and resid 80   and name  HA  ))
   (( segid "   A" and resid 80   and name  HB1 ))
      2.509     0.789     1.255 peak   962 weight  1.00000E+00 volume  3.66963E+06 ppm1      4.523 ppm2      2.942

 ASSI {  964}
   (( segid "   A" and resid 93   and name  HB1 ))
   (( segid "   A" and resid 80   and name  HB1 ))
      3.551     1.776     1.776 peak   964 weight  1.00000E+00 volume  2.29436E+04 ppm1      1.678 ppm2      2.951

 ASSI {  965}
   (  segid "   A" and resid 82   and name  HD# )
   (( segid "   A" and resid 80   and name  HB1 ))
      3.700     1.850     1.850 peak   965 weight  1.00000E+00 volume  3.45114E+04 ppm1      2.951 ppm2      6.988

 ASSI {  967}
   (  segid "   A" and resid 82   and name  HD# )
   (( segid "   A" and resid 72   and name  HA  ))
      3.777     1.889     1.889 peak   967 weight  1.00000E+00 volume  3.15241E+05 ppm1      4.122 ppm2      6.967

 ASSI {  973}
   (( segid "   A" and resid 112  and name  HA  ))
   (( segid "   A" and resid 69   and name  HB2 ))
      3.910     1.955     1.955 peak   973 weight  1.00000E+00 volume  2.56146E+05 ppm1      1.743 ppm2      5.074

 ASSI {  974}
   (( segid "   A" and resid 112  and name  HA  ))
   (( segid "   A" and resid 69   and name  HB2 ))
      3.610     1.805     1.805 peak   974 weight  1.00000E+00 volume  4.13586E+05 ppm1      5.078 ppm2      1.747

 ASSI {  975}
   (( segid "   A" and resid 71   and name  HB1 ))
   (( segid "   A" and resid 83   and name  HB2 ))
      2.136     0.416     1.068 peak   975 weight  1.00000E+00 volume  9.64360E+06 ppm1      1.811 ppm2      2.000

 ASSI {  976}
   (( segid "   A" and resid 71   and name  HB1 ))
   (( segid "   A" and resid 83   and name  HB2 ))
      2.322     0.602     1.161 peak   976 weight  1.00000E+00 volume  5.84171E+06 ppm1      1.998 ppm2      1.814

 ASSI {  978}
   (( segid "   A" and resid 81   and name  HB  ))
   (( segid "   A" and resid 73   and name  HB2 ))
      2.931     1.211     1.465 peak   978 weight  1.00000E+00 volume  1.44465E+06 ppm1      2.041 ppm2      1.706

 ASSI {  986}
   (( segid "   A" and resid 79   and name  HB2 ))
   (( segid "   A" and resid 76   and name  HB2 ))
      3.466     1.733     1.733 peak   986 weight  1.00000E+00 volume  2.85440E+04 ppm1      2.370 ppm2      2.799

 ASSI {  987}
   (( segid "   A" and resid 92   and name  HB2 ))
   (  segid "   A" and resid 81   and name  HG1#)
      2.741     1.021     1.370 peak   987 weight  1.00000E+00 volume  2.15931E+06 ppm1      0.716 ppm2      1.896

 ASSI {  988}
   (( segid "   A" and resid 92   and name  HB2 ))
   (  segid "   A" and resid 81   and name  HG1#)
      2.837     1.117     1.418 peak   988 weight  1.00000E+00 volume  1.75598E+06 ppm1      1.885 ppm2      0.722

 ASSI {  990}
   (  segid "   A" and resid 81   and name  HG1#)
   (( segid "   A" and resid 73   and name  HB2 ))
      3.434     1.714     1.717 peak   990 weight  1.00000E+00 volume  6.91188E+03 ppm1      1.695 ppm2      0.719

 ASSI {  991}
   (  segid "   A" and resid 81   and name  HG1#)
   (( segid "   A" and resid 73   and name  HB2 ))
      3.051     1.331     1.526 peak   991 weight  1.00000E+00 volume  2.60212E+03 ppm1      0.723 ppm2      1.699

 ASSI { 1002}
   (  segid "   A" and resid 129  and name  HG1#)
   (( segid "   A" and resid 106  and name  HB2 ))
      3.327     1.607     1.663 peak  1002 weight  1.00000E+00 volume  3.03338E+04 ppm1      1.692 ppm2      0.906

 ASSI { 1013}
   (  segid "   A" and resid 129  and name  HG1#)
   (( segid "   A" and resid 109  and name  HG2 ))
      3.441     1.721     1.721 peak  1013 weight  1.00000E+00 volume  4.13541E+04 ppm1      2.651 ppm2      0.914

 ASSI { 1014}
   (( segid "   A" and resid 154  and name  HA  ))
   (( segid "   A" and resid 154  and name  HB  ))
      3.404     1.684     1.702 peak  1014 weight  1.00000E+00 volume  4.12751E+04 ppm1      4.263 ppm2      1.956

 ASSI { 1015}
   (( segid "   A" and resid 131  and name  HB2 ))
   (( segid "   A" and resid 154  and name  HB  ))
      3.235     1.515     1.617 peak  1015 weight  1.00000E+00 volume  3.08951E+04 ppm1      1.764 ppm2      1.956

 ASSI { 1016}
   (( segid "   A" and resid 131  and name  HB2 ))
   (( segid "   A" and resid 154  and name  HB  ))
      2.575     0.855     1.287 peak  1016 weight  1.00000E+00 volume  1.10441E+05 ppm1      1.954 ppm2      1.762

 ASSI { 1017}
   (  segid "   A" and resid 156  and name  HG2#)
   (( segid "   A" and resid 104  and name  HA  ))
      3.837     1.919     1.919 peak  1017 weight  1.00000E+00 volume  2.86830E+05 ppm1      4.731 ppm2      1.160

 ASSI { 1018}
   (  segid "   A" and resid 156  and name  HG2#)
   (( segid "   A" and resid 104  and name  HA  ))
      2.673     0.953     1.337 peak  1018 weight  1.00000E+00 volume  2.50792E+06 ppm1      1.166 ppm2      4.708

 ASSI { 1021}
   (( segid "   A" and resid 158  and name  HB2 ))
   (( segid "   A" and resid 103  and name  HB2 ))
      2.968     1.248     1.484 peak  1021 weight  1.00000E+00 volume  1.33914E+06 ppm1      3.063 ppm2      2.880

 ASSI { 1022}
   (( segid "   A" and resid 158  and name  HB2 ))
   (( segid "   A" and resid 103  and name  HB2 ))
      2.610     0.890     1.305 peak  1022 weight  1.00000E+00 volume  1.76131E+05 ppm1      2.889 ppm2      3.065

 ASSI { 1023}
   (( segid "   A" and resid 158  and name  HB2 ))
   (( segid "   A" and resid 103  and name  HA  ))
      4.989     2.495     2.495 peak  1023 weight  1.00000E+00 volume  2.12626E+04 ppm1      3.055 ppm2      4.005

 ASSI { 1024}
   (( segid "   A" and resid 127  and name  HB2 ))
   (  segid "   A" and resid 128  and name  HG2#)
      2.498     0.778     1.249 peak  1024 weight  1.00000E+00 volume  1.78786E+05 ppm1      0.955 ppm2      1.835

 ASSI { 1025}
   (  segid "   A" and resid 128  and name  HG2#)
   (( segid "   A" and resid 175  and name  HB2 ))
      4.106     2.053     2.053 peak  1025 weight  1.00000E+00 volume  4.17612E+03 ppm1      3.154 ppm2      0.962

 ASSI { 1027}
   (  segid "   A" and resid 182  and name  HD1#)
   (( segid "   A" and resid 128  and name  HB  ))
      3.129     1.409     1.565 peak  1027 weight  1.00000E+00 volume  5.07431E+04 ppm1      3.957 ppm2      1.002

 ASSI { 1028}
   (( segid "   A" and resid 173  and name  HA  ))
   (( segid "   A" and resid 173  and name  HB  ))
      2.678     0.958     1.339 peak  1028 weight  1.00000E+00 volume  1.18812E+05 ppm1      1.882 ppm2      4.694

 ASSI { 1029}
   (( segid "   A" and resid 155  and name  HA  ))
   (( segid "   A" and resid 155  and name  HB2 ))
      2.975     1.255     1.487 peak  1029 weight  1.00000E+00 volume  5.91924E+04 ppm1      4.264 ppm2      2.036

 ASSI { 1030}
   (( segid "   A" and resid 155  and name  HB2 ))
   (( segid "   A" and resid 132  and name  HB  ))
      2.825     1.105     1.413 peak  1030 weight  1.00000E+00 volume  1.07009E+05 ppm1      2.040 ppm2      4.275

 ASSI { 1038}
   (  segid "   A" and resid 152  and name  HB# )
   (( segid "   A" and resid 133  and name  HB  ))
      3.848     1.924     1.924 peak  1038 weight  1.00000E+00 volume  2.81976E+05 ppm1      1.222 ppm2      1.900

 ASSI { 1043}
   (( segid "   A" and resid 161  and name  HB2 ))
   (( segid "   A" and resid 149  and name  HB  ))
      4.032     2.016     2.016 peak  1043 weight  1.00000E+00 volume  1.99621E+04 ppm1      3.918 ppm2      2.647

 ASSI { 1045}
   (  segid "   A" and resid 162  and name  HG1#)
   (( segid "   A" and resid 133  and name  HB  ))
      4.338     2.169     2.169 peak  1045 weight  1.00000E+00 volume  3.89570E+04 ppm1      0.548 ppm2      1.898

 ASSI { 1047}
   (  segid "   A" and resid 162  and name  HG1#)
   (  segid "   A" and resid 160  and name  HD1#)
      2.810     1.090     1.405 peak  1047 weight  1.00000E+00 volume  4.35579E+04 ppm1      0.709 ppm2      0.550

 ASSI { 1048}
   (( segid "   A" and resid 181  and name  HB2 ))
   (  segid "   A" and resid 162  and name  HG1#)
      4.290     2.145     2.145 peak  1048 weight  1.00000E+00 volume  2.38811E+04 ppm1      0.542 ppm2      3.093

 ASSI { 1056}
   (  segid "   A" and resid 166  and name  HG1#)
   (  segid "   A" and resid 162  and name  HG1#)
      1.996     0.276     0.998 peak  1056 weight  1.00000E+00 volume  5.50011E+05 ppm1      0.547 ppm2      0.680

 ASSI { 1057}
   (  segid "   A" and resid 166  and name  HG1#)
   (  segid "   A" and resid 162  and name  HG1#)
      2.121     0.401     1.061 peak  1057 weight  1.00000E+00 volume  1.00436E+07 ppm1      0.681 ppm2      0.552

 ASSI { 1058}
   (  segid "   A" and resid 166  and name  HG1#)
   (  segid "   A" and resid 133  and name  HG1#)
      2.138     0.418     1.069 peak  1058 weight  1.00000E+00 volume  9.58910E+06 ppm1      0.973 ppm2      0.682

 ASSI { 1060}
   (( segid "   A" and resid 170  and name  HB2 ))
   (( segid "   A" and resid 167  and name  HB1 ))
      5.699     2.849     2.301 peak  1060 weight  1.00000E+00 volume  -2.67256E+04 ppm1      2.980 ppm2      2.611

 ASSI { 1061}
   (( segid "   A" and resid 170  and name  HB2 ))
   (( segid "   A" and resid 167  and name  HB2 ))
      4.118     2.059     2.059 peak  1061 weight  1.00000E+00 volume  1.87828E+05 ppm1      2.980 ppm2      2.692

 ASSI { 1062}
   (( segid "   A" and resid 170  and name  HB2 ))
   (  segid "   A" and resid 166  and name  HG1#)
      3.535     1.767     1.767 peak  1062 weight  1.00000E+00 volume  4.69178E+05 ppm1      2.987 ppm2      0.687

 ASSI { 1063}
   (( segid "   A" and resid 170  and name  HB2 ))
   (  segid "   A" and resid 166  and name  HG1#)
      2.731     1.011     1.366 peak  1063 weight  1.00000E+00 volume  -2.20473E+06 ppm1      0.682 ppm2      2.986

 ASSI { 1067}
   (( segid "   A" and resid 173  and name  HB  ))
   (( segid "   A" and resid 182  and name  HB  ))
      2.301     0.581     1.151 peak  1067 weight  1.00000E+00 volume  2.03715E+05 ppm1      1.901 ppm2      1.798

 ASSI { 1068}
   (( segid "   A" and resid 174  and name  HB  ))
   (  segid "   A" and resid 129  and name  HG2#)
      2.971     1.251     1.486 peak  1068 weight  1.00000E+00 volume  4.78221E+04 ppm1      0.702 ppm2      1.535

 ASSI { 1069}
   (( segid "   A" and resid 174  and name  HB  ))
   (  segid "   A" and resid 129  and name  HG2#)
      2.726     1.006     1.363 peak  1069 weight  1.00000E+00 volume  1.21944E+05 ppm1      1.537 ppm2      0.698

 ASSI { 1071}
   (  segid "   A" and resid 182  and name  HD1#)
   (( segid "   A" and resid 175  and name  HB2 ))
      3.942     1.971     1.971 peak  1071 weight  1.00000E+00 volume  9.46612E+03 ppm1      3.155 ppm2      1.005

 ASSI { 1072}
   (( segid "   A" and resid 180  and name  HB2 ))
   (( segid "   A" and resid 175  and name  HB2 ))
      4.383     2.192     2.192 peak  1072 weight  1.00000E+00 volume  1.29090E+05 ppm1      3.835 ppm2      3.179

 ASSI { 1075}
   (( segid "   A" and resid 128  and name  HA  ))
   (( segid "   A" and resid 175  and name  HB2 ))
      3.805     1.903     1.903 peak  1075 weight  1.00000E+00 volume  3.01456E+05 ppm1      3.160 ppm2      5.412

 ASSI { 1076}
   (( segid "   A" and resid 180  and name  HB2 ))
   (  segid "   A" and resid 182  and name  HD1#)
      8.000     4.000     0.000 peak  1076 weight  1.00000E+00 volume  -2.17875E+03 ppm1      1.008 ppm2      3.836

 ASSI { 1078}
   (( segid "   A" and resid 2    and name  HA  ))
   (( segid "   A" and resid 2    and name  HN  ))
      3.855     1.928     1.928 peak  1078 weight  1.00000E+00 volume  2.78922E+05 ppm1      4.338 ppm2      9.001

 ASSI { 1079}
   (( segid "   A" and resid 3    and name  HN  ))
   (( segid "   A" and resid 2    and name  HA  ))
      3.762     1.881     1.881 peak  1079 weight  1.00000E+00 volume  3.22764E+05 ppm1      4.334 ppm2      8.957

 ASSI { 1081}
   (( segid "   A" and resid 2    and name  HB  ))
   (( segid "   A" and resid 2    and name  HA  ))
      3.208     1.488     1.604 peak  1081 weight  1.00000E+00 volume  8.40134E+05 ppm1      4.328 ppm2      1.733

 ASSI { 1082}
   (( segid "   A" and resid 6    and name  HB2 ))
   (( segid "   A" and resid 2    and name  HA  ))
      5.044     2.522     2.522 peak  1082 weight  1.00000E+00 volume  -5.55894E+04 ppm1      4.338 ppm2      2.894

 ASSI { 1083}
   (  segid "   A" and resid 13   and name  HD1#)
   (( segid "   A" and resid 2    and name  HB  ))
      3.669     1.835     1.835 peak  1083 weight  1.00000E+00 volume  3.75134E+05 ppm1      1.732 ppm2      0.467

 ASSI { 1086}
   (( segid "   A" and resid 3    and name  HN  ))
   (( segid "   A" and resid 2    and name  HB  ))
      3.977     1.989     1.989 peak  1086 weight  1.00000E+00 volume  1.72728E+04 ppm1      1.734 ppm2      8.957

 ASSI { 1087}
   (( segid "   A" and resid 2    and name  HB  ))
   (( segid "   A" and resid 2    and name  HN  ))
      4.110     2.055     2.055 peak  1087 weight  1.00000E+00 volume  1.89821E+05 ppm1      1.734 ppm2      9.002

 ASSI { 1088}
   (( segid "   A" and resid 4    and name  HN  ))
   (( segid "   A" and resid 4    and name  HA  ))
      4.246     2.123     2.123 peak  1088 weight  1.00000E+00 volume  8.19375E+03 ppm1      4.452 ppm2      8.327

 ASSI { 1089}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 4    and name  HA  ))
      4.239     2.119     2.119 peak  1089 weight  1.00000E+00 volume  5.23900E+03 ppm1      4.457 ppm2      7.932

 ASSI { 1090}
   (( segid "   A" and resid 4    and name  HA  ))
   (( segid "   A" and resid 5    and name  HN  ))
      4.397     2.199     2.199 peak  1090 weight  1.00000E+00 volume  1.10871E+04 ppm1      4.463 ppm2      7.859

 ASSI { 1091}
   (  segid "   A" and resid 7    and name  HD# )
   (( segid "   A" and resid 4    and name  HA  ))
      4.162     2.081     2.081 peak  1091 weight  1.00000E+00 volume  7.60338E+03 ppm1      4.450 ppm2      6.717

 ASSI { 1092}
   (( segid "   A" and resid 5    and name  HA  ))
   (( segid "   A" and resid 4    and name  HA  ))
      3.104     1.384     1.552 peak  1092 weight  1.00000E+00 volume  1.02308E+06 ppm1      4.459 ppm2      4.262

 ASSI { 1093}
   (( segid "   A" and resid 4    and name  HB  ))
   (( segid "   A" and resid 4    and name  HA  ))
      2.790     1.070     1.395 peak  1093 weight  1.00000E+00 volume  1.93921E+06 ppm1      4.450 ppm2      1.907

 ASSI { 1094}
   (  segid "   A" and resid 4    and name  HG1#)
   (( segid "   A" and resid 4    and name  HA  ))
      2.933     1.213     1.466 peak  1094 weight  1.00000E+00 volume  1.43815E+06 ppm1      4.450 ppm2      0.699

 ASSI { 1095}
   (  segid "   A" and resid 37   and name  HG1#)
   (( segid "   A" and resid 4    and name  HA  ))
      5.100     2.550     2.550 peak  1095 weight  1.00000E+00 volume  1.07244E+04 ppm1      4.451 ppm2      0.569

 ASSI { 1096}
   (  segid "   A" and resid 4    and name  HG2#)
   (( segid "   A" and resid 4    and name  HB  ))
      4.055     2.028     2.028 peak  1096 weight  1.00000E+00 volume  1.63486E+04 ppm1      1.901 ppm2      0.230

 ASSI { 1097}
   (  segid "   A" and resid 4    and name  HG1#)
   (( segid "   A" and resid 4    and name  HB  ))
      3.316     1.596     1.658 peak  1097 weight  1.00000E+00 volume  2.41196E+04 ppm1      1.906 ppm2      0.700

 ASSI { 1098}
   (( segid "   A" and resid 55   and name  HN  ))
   (  segid "   A" and resid 4    and name  HG2#)
      4.016     2.008     2.008 peak  1098 weight  1.00000E+00 volume  2.18204E+05 ppm1      0.226 ppm2      9.314

 ASSI { 1099}
   (( segid "   A" and resid 54   and name  HN  ))
   (  segid "   A" and resid 4    and name  HG2#)
      4.343     2.171     2.171 peak  1099 weight  1.00000E+00 volume  1.65960E+04 ppm1      0.224 ppm2      9.051

 ASSI { 1100}
   (( segid "   A" and resid 4    and name  HN  ))
   (  segid "   A" and resid 4    and name  HG2#)
      3.593     1.797     1.797 peak  1100 weight  1.00000E+00 volume  4.25242E+05 ppm1      0.225 ppm2      8.341

 ASSI { 1101}
   (( segid "   A" and resid 56   and name  HN  ))
   (  segid "   A" and resid 4    and name  HG2#)
      4.512     2.256     2.256 peak  1101 weight  1.00000E+00 volume  1.08510E+05 ppm1      0.229 ppm2      7.984

 ASSI { 1102}
   (( segid "   A" and resid 6    and name  HN  ))
   (  segid "   A" and resid 4    and name  HG2#)
      4.557     2.278     2.278 peak  1102 weight  1.00000E+00 volume  1.02257E+05 ppm1      0.230 ppm2      7.942

 ASSI { 1106}
   (( segid "   A" and resid 56   and name  HA  ))
   (  segid "   A" and resid 4    and name  HG2#)
      2.693     0.973     1.346 peak  1106 weight  1.00000E+00 volume  1.56531E+05 ppm1      0.224 ppm2      4.703

 ASSI { 1108}
   (( segid "   A" and resid 55   and name  HA  ))
   (  segid "   A" and resid 4    and name  HG2#)
      7.392     3.696     0.608 peak  1108 weight  1.00000E+00 volume  1.29921E+04 ppm1      0.224 ppm2      4.396

 ASSI { 1109}
   (  segid "   A" and resid 4    and name  HG2#)
   (( segid "   A" and resid 5    and name  HA  ))
      5.159     2.579     2.579 peak  1109 weight  1.00000E+00 volume  9.68312E+03 ppm1      0.232 ppm2      4.264

 ASSI { 1110}
   (  segid "   A" and resid 4    and name  HG2#)
   (( segid "   A" and resid 5    and name  HB2 ))
      3.658     1.829     1.829 peak  1110 weight  1.00000E+00 volume  3.82039E+05 ppm1      0.228 ppm2      2.459

 ASSI { 1112}
   (  segid "   A" and resid 4    and name  HG2#)
   (( segid "   A" and resid 37   and name  HB  ))
      3.426     1.706     1.713 peak  1112 weight  1.00000E+00 volume  4.67471E+04 ppm1      0.226 ppm2      1.669

 ASSI { 1113}
   (  segid "   A" and resid 56   and name  HB# )
   (  segid "   A" and resid 4    and name  HG2#)
      2.484     0.764     1.242 peak  1113 weight  1.00000E+00 volume  2.54616E+05 ppm1      0.226 ppm2      1.295

 ASSI { 1114}
   (  segid "   A" and resid 4    and name  HG1#)
   (  segid "   A" and resid 4    and name  HG2#)
      2.413     0.693     1.206 peak  1114 weight  1.00000E+00 volume  3.61307E+05 ppm1      0.696 ppm2      0.222

 ASSI { 1119}
   (  segid "   A" and resid 4    and name  HG1#)
   (( segid "   A" and resid 37   and name  HB  ))
      2.461     0.741     1.230 peak  1119 weight  1.00000E+00 volume  1.21238E+05 ppm1      0.698 ppm2      1.673

 ASSI { 1122}
   (( segid "   A" and resid 54   and name  HB2 ))
   (  segid "   A" and resid 4    and name  HG1#)
      3.860     1.930     1.930 peak  1122 weight  1.00000E+00 volume  2.45546E+04 ppm1      0.693 ppm2      2.987

 ASSI { 1124}
   (( segid "   A" and resid 55   and name  HA  ))
   (  segid "   A" and resid 4    and name  HG1#)
      2.936     1.216     1.468 peak  1124 weight  1.00000E+00 volume  1.42929E+06 ppm1      0.705 ppm2      4.398

 ASSI { 1125}
   (  segid "   A" and resid 4    and name  HG1#)
   (( segid "   A" and resid 4    and name  HA  ))
      2.904     1.184     1.452 peak  1125 weight  1.00000E+00 volume  1.52588E+06 ppm1      0.690 ppm2      4.443

 ASSI { 1126}
   (( segid "   A" and resid 54   and name  HA  ))
   (  segid "   A" and resid 4    and name  HG1#)
      2.980     1.260     1.490 peak  1126 weight  1.00000E+00 volume  7.52766E+04 ppm1      0.699 ppm2      4.790

 ASSI { 1127}
   (  segid "   A" and resid 7    and name  HE# )
   (  segid "   A" and resid 4    and name  HG1#)
      3.883     1.941     1.941 peak  1127 weight  1.00000E+00 volume  1.65305E+04 ppm1      0.697 ppm2      6.572

 ASSI { 1128}
   (  segid "   A" and resid 4    and name  HG1#)
   (  segid "   A" and resid 7    and name  HD# )
      4.423     2.212     2.212 peak  1128 weight  1.00000E+00 volume  1.22243E+05 ppm1      0.697 ppm2      6.736

 ASSI { 1129}
   (  segid "   A" and resid 54   and name  HD# )
   (  segid "   A" and resid 4    and name  HG1#)
      3.417     1.697     1.708 peak  1129 weight  1.00000E+00 volume  5.75279E+05 ppm1      0.696 ppm2      7.039

 ASSI { 1130}
   (  segid "   A" and resid 54   and name  HE# )
   (  segid "   A" and resid 4    and name  HG1#)
      4.805     2.402     2.402 peak  1130 weight  1.00000E+00 volume  7.44101E+04 ppm1      0.696 ppm2      7.174

 ASSI { 1131}
   (  segid "   A" and resid 4    and name  HG1#)
   (( segid "   A" and resid 5    and name  HN  ))
      4.361     2.180     2.180 peak  1131 weight  1.00000E+00 volume  -1.33108E+05 ppm1      0.714 ppm2      7.859

 ASSI { 1132}
   (( segid "   A" and resid 56   and name  HN  ))
   (  segid "   A" and resid 4    and name  HG1#)
      5.404     2.702     2.596 peak  1132 weight  1.00000E+00 volume  -3.67655E+04 ppm1      0.698 ppm2      7.984

 ASSI { 1133}
   (( segid "   A" and resid 4    and name  HN  ))
   (  segid "   A" and resid 4    and name  HG1#)
      3.525     1.763     1.763 peak  1133 weight  1.00000E+00 volume  4.77122E+05 ppm1      0.700 ppm2      8.343

 ASSI { 1134}
   (( segid "   A" and resid 54   and name  HN  ))
   (  segid "   A" and resid 4    and name  HG1#)
      3.054     1.334     1.527 peak  1134 weight  1.00000E+00 volume  1.12803E+06 ppm1      0.701 ppm2      9.051

 ASSI { 1135}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 5    and name  HA  ))
      3.287     1.567     1.644 peak  1135 weight  1.00000E+00 volume  7.25823E+05 ppm1      4.263 ppm2      7.930

 ASSI { 1136}
   (( segid "   A" and resid 5    and name  HA  ))
   (( segid "   A" and resid 5    and name  HN  ))
      4.229     2.114     2.114 peak  1136 weight  1.00000E+00 volume  1.69880E+04 ppm1      4.261 ppm2      7.858

 ASSI { 1137}
   (( segid "   A" and resid 6    and name  HA  ))
   (( segid "   A" and resid 5    and name  HA  ))
      3.090     1.370     1.545 peak  1137 weight  1.00000E+00 volume  1.05073E+06 ppm1      4.262 ppm2      4.757

 ASSI { 1139}
   (( segid "   A" and resid 5    and name  HA  ))
   (( segid "   A" and resid 4    and name  HA  ))
      3.059     1.339     1.529 peak  1139 weight  1.00000E+00 volume  -1.11737E+06 ppm1      4.288 ppm2      4.450

 ASSI { 1140}
   (( segid "   A" and resid 5    and name  HA  ))
   (( segid "   A" and resid 5    and name  HB2 ))
      3.283     1.563     1.641 peak  1140 weight  1.00000E+00 volume  7.31470E+05 ppm1      4.275 ppm2      2.474

 ASSI { 1144}
   (  segid "   A" and resid 4    and name  HG2#)
   (( segid "   A" and resid 5    and name  HB2 ))
      5.550     2.775     2.450 peak  1144 weight  1.00000E+00 volume  6.48275E+03 ppm1      2.480 ppm2      0.235

 ASSI { 1146}
   (  segid "   A" and resid 4    and name  HG1#)
   (( segid "   A" and resid 5    and name  HB2 ))
      4.149     2.075     2.075 peak  1146 weight  1.00000E+00 volume  5.81375E+03 ppm1      2.484 ppm2      0.701

 ASSI { 1147}
   (( segid "   A" and resid 6    and name  HB2 ))
   (( segid "   A" and resid 5    and name  HB2 ))
      4.744     2.372     2.372 peak  1147 weight  1.00000E+00 volume  1.00769E+04 ppm1      2.478 ppm2      2.883

 ASSI { 1150}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 5    and name  HB2 ))
      3.975     1.988     1.988 peak  1150 weight  1.00000E+00 volume  2.32021E+05 ppm1      2.476 ppm2      7.929

 ASSI { 1151}
   (( segid "   A" and resid 4    and name  HN  ))
   (( segid "   A" and resid 5    and name  HB2 ))
      4.324     2.162     2.162 peak  1151 weight  1.00000E+00 volume  1.40074E+05 ppm1      2.473 ppm2      8.349

 ASSI { 1152}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 6    and name  HA  ))
      3.652     1.826     1.826 peak  1152 weight  1.00000E+00 volume  3.85676E+05 ppm1      4.766 ppm2      7.933

 ASSI { 1153}
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 6    and name  HA  ))
      5.123     2.561     2.561 peak  1153 weight  1.00000E+00 volume  5.06658E+04 ppm1      4.754 ppm2      7.063

 ASSI { 1154}
   (( segid "   A" and resid 6    and name  HA  ))
   (  segid "   A" and resid 7    and name  HD# )
      4.976     2.488     2.488 peak  1154 weight  1.00000E+00 volume  1.18509E+04 ppm1      4.763 ppm2      6.716

 ASSI { 1156}
   (( segid "   A" and resid 6    and name  HA  ))
   (( segid "   A" and resid 6    and name  HB2 ))
      3.099     1.379     1.549 peak  1156 weight  1.00000E+00 volume  3.49614E+04 ppm1      4.761 ppm2      2.902

 ASSI { 1157}
   (( segid "   A" and resid 6    and name  HA  ))
   (( segid "   A" and resid 5    and name  HB2 ))
      3.539     1.770     1.770 peak  1157 weight  1.00000E+00 volume  2.73788E+04 ppm1      4.761 ppm2      2.477

 ASSI { 1159}
   (( segid "   A" and resid 7    and name  HB1 ))
   (( segid "   A" and resid 6    and name  HA  ))
      3.640     1.820     1.820 peak  1159 weight  1.00000E+00 volume  3.93624E+05 ppm1      4.753 ppm2      2.316

 ASSI { 1161}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 6    and name  HB2 ))
      4.206     2.103     2.103 peak  1161 weight  1.00000E+00 volume  6.61362E+03 ppm1      2.903 ppm2      3.788

 ASSI { 1162}
   (( segid "   A" and resid 6    and name  HB2 ))
   (( segid "   A" and resid 2    and name  HA  ))
      5.309     2.655     2.655 peak  1162 weight  1.00000E+00 volume  5.05525E+03 ppm1      2.882 ppm2      4.332

 ASSI { 1163}
   (( segid "   A" and resid 6    and name  HA  ))
   (( segid "   A" and resid 6    and name  HB2 ))
      2.539     0.819     1.269 peak  1163 weight  1.00000E+00 volume  4.18816E+04 ppm1      2.890 ppm2      4.754

 ASSI { 1164}
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 6    and name  HB2 ))
      3.708     1.854     1.854 peak  1164 weight  1.00000E+00 volume  7.95100E+03 ppm1      2.884 ppm2      7.061

 ASSI { 1165}
   (( segid "   A" and resid 6    and name  HB2 ))
   (( segid "   A" and resid 5    and name  HN  ))
      4.516     2.258     2.258 peak  1165 weight  1.00000E+00 volume  1.07899E+05 ppm1      2.884 ppm2      7.859

 ASSI { 1166}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 6    and name  HB2 ))
      4.196     2.098     2.098 peak  1166 weight  1.00000E+00 volume  1.67826E+05 ppm1      2.882 ppm2      7.926

 ASSI { 1167}
   (( segid "   A" and resid 7    and name  HA  ))
   (  segid "   A" and resid 7    and name  HD# )
      3.710     1.855     1.855 peak  1167 weight  1.00000E+00 volume  3.51186E+05 ppm1      3.789 ppm2      6.734

 ASSI { 1168}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 6    and name  HA  ))
      3.393     1.673     1.696 peak  1168 weight  1.00000E+00 volume  6.00384E+05 ppm1      3.787 ppm2      4.755

 ASSI { 1169}
   (( segid "   A" and resid 8    and name  HA  ))
   (( segid "   A" and resid 7    and name  HA  ))
      3.236     1.516     1.618 peak  1169 weight  1.00000E+00 volume  2.09118E+04 ppm1      3.787 ppm2      4.678

 ASSI { 1172}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 6    and name  HB2 ))
      4.493     2.247     2.247 peak  1172 weight  1.00000E+00 volume  5.95450E+03 ppm1      3.768 ppm2      2.894

 ASSI { 1173}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 7    and name  HB2 ))
      3.609     1.805     1.805 peak  1173 weight  1.00000E+00 volume  1.98456E+04 ppm1      3.784 ppm2      2.426

 ASSI { 1174}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 7    and name  HB1 ))
      5.453     2.726     2.547 peak  1174 weight  1.00000E+00 volume  -3.48219E+04 ppm1      3.801 ppm2      2.329

 ASSI { 1175}
   (( segid "   A" and resid 22   and name  HB  ))
   (( segid "   A" and resid 7    and name  HA  ))
      4.357     2.178     2.178 peak  1175 weight  1.00000E+00 volume  5.16200E+03 ppm1      3.806 ppm2      2.167

 ASSI { 1176}
   (( segid "   A" and resid 11   and name  HB2 ))
   (( segid "   A" and resid 7    and name  HA  ))
      3.266     1.546     1.633 peak  1176 weight  1.00000E+00 volume  4.80389E+04 ppm1      3.791 ppm2      1.386

 ASSI { 1179}
   (  segid "   A" and resid 22   and name  HG2#)
   (( segid "   A" and resid 7    and name  HA  ))
      3.598     1.799     1.799 peak  1179 weight  1.00000E+00 volume  1.13831E+04 ppm1      3.795 ppm2      0.336

 ASSI { 1181}
   (  segid "   A" and resid 37   and name  HG1#)
   (( segid "   A" and resid 7    and name  HB1 ))
      4.175     2.087     2.087 peak  1181 weight  1.00000E+00 volume  1.29120E+04 ppm1      2.316 ppm2      0.570

 ASSI { 1182}
   (  segid "   A" and resid 22   and name  HG1#)
   (( segid "   A" and resid 7    and name  HB1 ))
      6.249     3.125     1.751 peak  1182 weight  1.00000E+00 volume  1.53725E+04 ppm1      2.316 ppm2      0.701

 ASSI { 1183}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 7    and name  HB1 ))
      3.609     1.805     1.805 peak  1183 weight  1.00000E+00 volume  4.14053E+05 ppm1      2.318 ppm2      3.788

 ASSI { 1184}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 7    and name  HB2 ))
      3.971     1.985     1.985 peak  1184 weight  1.00000E+00 volume  2.33507E+05 ppm1      2.423 ppm2      3.788

 ASSI { 1186}
   (( segid "   A" and resid 7    and name  HB2 ))
   (( segid "   A" and resid 25   and name  HB1 ))
      3.531     1.765     1.765 peak  1186 weight  1.00000E+00 volume  4.72654E+05 ppm1      2.425 ppm2      2.709

 ASSI { 1187}
   (( segid "   A" and resid 11   and name  HB2 ))
   (( segid "   A" and resid 7    and name  HB2 ))
      4.318     2.159     2.159 peak  1187 weight  1.00000E+00 volume  8.04800E+03 ppm1      2.427 ppm2      1.383

 ASSI { 1188}
   (  segid "   A" and resid 37   and name  HG1#)
   (( segid "   A" and resid 7    and name  HB2 ))
      3.691     1.845     1.845 peak  1188 weight  1.00000E+00 volume  3.66746E+04 ppm1      2.424 ppm2      0.569

 ASSI { 1189}
   (( segid "   A" and resid 8    and name  HA  ))
   (( segid "   A" and resid 7    and name  HB2 ))
      3.201     1.481     1.601 peak  1189 weight  1.00000E+00 volume  5.00219E+04 ppm1      2.422 ppm2      4.675

 ASSI { 1193}
   (( segid "   A" and resid 25   and name  HA  ))
   (( segid "   A" and resid 7    and name  HB2 ))
      4.819     2.409     2.409 peak  1193 weight  1.00000E+00 volume  1.58495E+04 ppm1      2.421 ppm2      5.450

 ASSI { 1194}
   (( segid "   A" and resid 8    and name  HN  ))
   (( segid "   A" and resid 7    and name  HB2 ))
      3.867     1.934     1.934 peak  1194 weight  1.00000E+00 volume  1.51671E+04 ppm1      2.425 ppm2      6.122

 ASSI { 1195}
   (( segid "   A" and resid 7    and name  HB2 ))
   (  segid "   A" and resid 7    and name  HD# )
      4.351     2.176     2.176 peak  1195 weight  1.00000E+00 volume  8.38838E+03 ppm1      2.423 ppm2      6.731

 ASSI { 1197}
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 8    and name  HA  ))
      3.912     1.956     1.956 peak  1197 weight  1.00000E+00 volume  3.82812E+03 ppm1      4.665 ppm2      7.156

 ASSI { 1198}
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 8    and name  HA  ))
      3.746     1.873     1.873 peak  1198 weight  1.00000E+00 volume  3.31240E+05 ppm1      4.660 ppm2      7.059

 ASSI { 1199}
   (( segid "   A" and resid 8    and name  HA  ))
   (( segid "   A" and resid 7    and name  HB2 ))
      3.348     1.628     1.674 peak  1199 weight  1.00000E+00 volume  6.49624E+05 ppm1      4.669 ppm2      2.424

 ASSI { 1200}
   (  segid "   A" and resid 22   and name  HG1#)
   (( segid "   A" and resid 8    and name  HA  ))
      4.482     2.241     2.241 peak  1200 weight  1.00000E+00 volume  1.12934E+05 ppm1      4.666 ppm2      0.693

 ASSI { 1201}
   (  segid "   A" and resid 22   and name  HG2#)
   (( segid "   A" and resid 8    and name  HA  ))
      8.000     4.000     0.000 peak  1201 weight  1.00000E+00 volume  7.61950E+03 ppm1      4.663 ppm2      0.331

 ASSI { 1224}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 10   and name  HA2 ))
      3.534     1.767     1.767 peak  1224 weight  1.00000E+00 volume  4.09706E+04 ppm1      4.430 ppm2      9.188

 ASSI { 1225}
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 10   and name  HA1 ))
      5.081     2.541     2.541 peak  1225 weight  1.00000E+00 volume  6.65212E+03 ppm1      3.818 ppm2      7.152

 ASSI { 1226}
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 10   and name  HA2 ))
      3.897     1.948     1.948 peak  1226 weight  1.00000E+00 volume  2.06420E+04 ppm1      4.417 ppm2      7.149

 ASSI { 1227}
   (( segid "   A" and resid 10   and name  HA1 ))
   (( segid "   A" and resid 23   and name  HA  ))
      3.678     1.839     1.839 peak  1227 weight  1.00000E+00 volume  2.09702E+04 ppm1      3.815 ppm2      4.390

 ASSI { 1228}
   (( segid "   A" and resid 10   and name  HA1 ))
   (( segid "   A" and resid 11   and name  HA  ))
      3.858     1.929     1.929 peak  1228 weight  1.00000E+00 volume  3.31550E+03 ppm1      3.809 ppm2      4.230

 ASSI { 1231}
   (( segid "   A" and resid 11   and name  HA  ))
   (( segid "   A" and resid 11   and name  HB2 ))
      2.795     1.075     1.397 peak  1231 weight  1.00000E+00 volume  1.92235E+06 ppm1      4.228 ppm2      1.382

 ASSI { 1232}
   (( segid "   A" and resid 10   and name  HA1 ))
   (( segid "   A" and resid 11   and name  HA  ))
      4.808     2.404     2.404 peak  1232 weight  1.00000E+00 volume  7.41279E+04 ppm1      4.228 ppm2      3.809

 ASSI { 1233}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 11   and name  HA  ))
      5.060     2.530     2.530 peak  1233 weight  1.00000E+00 volume  9.36550E+03 ppm1      4.231 ppm2      5.643

 ASSI { 1234}
   (( segid "   A" and resid 11   and name  HA  ))
   (( segid "   A" and resid 8    and name  HN  ))
      5.475     2.737     2.525 peak  1234 weight  1.00000E+00 volume  2.11260E+04 ppm1      4.230 ppm2      6.123

 ASSI { 1235}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 11   and name  HB2 ))
      4.132     2.066     2.066 peak  1235 weight  1.00000E+00 volume  8.08525E+03 ppm1      1.382 ppm2      9.187

 ASSI { 1236}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 11   and name  HB2 ))
      3.734     1.867     1.867 peak  1236 weight  1.00000E+00 volume  1.77959E+04 ppm1      1.381 ppm2      8.916

 ASSI { 1237}
   (( segid "   A" and resid 11   and name  HB2 ))
   (  segid "   A" and resid 7    and name  HD# )
      4.224     2.112     2.112 peak  1237 weight  1.00000E+00 volume  1.05255E+04 ppm1      1.367 ppm2      6.732

 ASSI { 1239}
   (( segid "   A" and resid 11   and name  HB2 ))
   (( segid "   A" and resid 7    and name  HA  ))
      3.950     1.975     1.975 peak  1239 weight  1.00000E+00 volume  1.26152E+04 ppm1      1.380 ppm2      3.790

 ASSI { 1240}
   (( segid "   A" and resid 11   and name  HB2 ))
   (( segid "   A" and resid 7    and name  HB2 ))
      4.345     2.173     2.173 peak  1240 weight  1.00000E+00 volume  6.31675E+03 ppm1      1.391 ppm2      2.396

 ASSI { 1241}
   (( segid "   A" and resid 11   and name  HB2 ))
   (( segid "   A" and resid 7    and name  HB1 ))
      5.005     2.502     2.502 peak  1241 weight  1.00000E+00 volume  1.08856E+04 ppm1      1.403 ppm2      2.309

 ASSI { 1242}
   (  segid "   A" and resid 22   and name  HG1#)
   (( segid "   A" and resid 11   and name  HB2 ))
      2.798     1.078     1.399 peak  1242 weight  1.00000E+00 volume  1.90945E+06 ppm1      1.383 ppm2      0.702

 ASSI { 1244}
   (  segid "   A" and resid 22   and name  HG2#)
   (( segid "   A" and resid 11   and name  HB2 ))
      3.184     1.464     1.592 peak  1244 weight  1.00000E+00 volume  8.79365E+05 ppm1      1.383 ppm2      0.331

 ASSI { 1245}
   (  segid "   A" and resid 22   and name  HG2#)
   (( segid "   A" and resid 12   and name  HA  ))
      4.998     2.499     2.499 peak  1245 weight  1.00000E+00 volume  8.16862E+03 ppm1      5.643 ppm2      0.332

 ASSI { 1247}
   (( segid "   A" and resid 12   and name  HA  ))
   (  segid "   A" and resid 63   and name  HB# )
      3.348     1.628     1.674 peak  1247 weight  1.00000E+00 volume  3.75612E+04 ppm1      5.633 ppm2      0.849

 ASSI { 1248}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 11   and name  HB2 ))
      4.012     2.006     2.006 peak  1248 weight  1.00000E+00 volume  8.42562E+03 ppm1      5.639 ppm2      1.382

 ASSI { 1249}
   (( segid "   A" and resid 21   and name  HB2 ))
   (( segid "   A" and resid 12   and name  HA  ))
      4.335     2.168     2.168 peak  1249 weight  1.00000E+00 volume  9.94688E+03 ppm1      5.642 ppm2      1.564

 ASSI { 1250}
   (( segid "   A" and resid 21   and name  HB1 ))
   (( segid "   A" and resid 12   and name  HA  ))
      4.293     2.146     2.146 peak  1250 weight  1.00000E+00 volume  7.82025E+03 ppm1      5.653 ppm2      1.670

 ASSI { 1251}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 13   and name  HB  ))
      4.305     2.152     2.152 peak  1251 weight  1.00000E+00 volume  4.86188E+03 ppm1      5.640 ppm2      1.770

 ASSI { 1252}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 11   and name  HA  ))
      4.069     2.034     2.034 peak  1252 weight  1.00000E+00 volume  1.04488E+04 ppm1      5.637 ppm2      4.228

 ASSI { 1253}
   (( segid "   A" and resid 13   and name  HA  ))
   (( segid "   A" and resid 12   and name  HA  ))
      4.264     2.132     2.132 peak  1253 weight  1.00000E+00 volume  1.52370E+05 ppm1      5.632 ppm2      5.038

 ASSI { 1254}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 12   and name  HA  ))
      3.509     1.754     1.754 peak  1254 weight  1.00000E+00 volume  4.90517E+05 ppm1      5.638 ppm2      8.956

 ASSI { 1255}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 12   and name  HA  ))
      4.343     2.172     2.172 peak  1255 weight  1.00000E+00 volume  1.36346E+05 ppm1      5.631 ppm2      9.290

 ASSI { 1256}
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 12   and name  HB  ))
      3.846     1.923     1.923 peak  1256 weight  1.00000E+00 volume  1.18974E+04 ppm1      3.973 ppm2      7.974

 ASSI { 1257}
   (( segid "   A" and resid 12   and name  HB  ))
   (( segid "   A" and resid 63   and name  HN  ))
      5.128     2.564     2.564 peak  1257 weight  1.00000E+00 volume  6.05525E+03 ppm1      3.974 ppm2      7.862

 ASSI { 1258}
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 12   and name  HB  ))
      4.045     2.022     2.022 peak  1258 weight  1.00000E+00 volume  1.21479E+04 ppm1      3.969 ppm2      5.228

 ASSI { 1262}
   (( segid "   A" and resid 13   and name  HA  ))
   (  segid "   A" and resid 63   and name  HB# )
      3.295     1.575     1.647 peak  1262 weight  1.00000E+00 volume  7.15865E+05 ppm1      5.034 ppm2      0.848

 ASSI { 1263}
   (( segid "   A" and resid 13   and name  HA  ))
   (( segid "   A" and resid 13   and name  HB  ))
      3.247     1.527     1.623 peak  1263 weight  1.00000E+00 volume  7.81283E+05 ppm1      5.031 ppm2      1.757

 ASSI { 1264}
   (( segid "   A" and resid 13   and name  HA  ))
   (( segid "   A" and resid 62   and name  HB2 ))
      3.660     1.830     1.830 peak  1264 weight  1.00000E+00 volume  3.80883E+05 ppm1      5.033 ppm2      1.939

 ASSI { 1265}
   (( segid "   A" and resid 13   and name  HA  ))
   (( segid "   A" and resid 62   and name  HB1 ))
      4.417     2.209     2.209 peak  1265 weight  1.00000E+00 volume  1.23218E+05 ppm1      5.033 ppm2      2.224

 ASSI { 1266}
   (( segid "   A" and resid 14   and name  HB1 ))
   (( segid "   A" and resid 13   and name  HA  ))
      3.594     1.797     1.797 peak  1266 weight  1.00000E+00 volume  4.25114E+05 ppm1      5.037 ppm2      3.699

 ASSI { 1267}
   (( segid "   A" and resid 13   and name  HA  ))
   (( segid "   A" and resid 12   and name  HB  ))
      3.997     1.999     1.999 peak  1267 weight  1.00000E+00 volume  1.06272E+04 ppm1      5.030 ppm2      3.970

 ASSI { 1268}
   (( segid "   A" and resid 13   and name  HA  ))
   (( segid "   A" and resid 12   and name  HA  ))
      3.826     1.913     1.913 peak  1268 weight  1.00000E+00 volume  1.27789E+04 ppm1      5.035 ppm2      5.639

 ASSI { 1269}
   (( segid "   A" and resid 13   and name  HA  ))
   (( segid "   A" and resid 14   and name  HA  ))
      3.736     1.868     1.868 peak  1269 weight  1.00000E+00 volume  3.36826E+05 ppm1      5.035 ppm2      5.599

 ASSI { 1270}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 13   and name  HA  ))
      4.383     2.192     2.192 peak  1270 weight  1.00000E+00 volume  1.29129E+05 ppm1      5.033 ppm2      8.957

 ASSI { 1271}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 13   and name  HA  ))
      3.885     1.943     1.943 peak  1271 weight  1.00000E+00 volume  2.66073E+05 ppm1      5.028 ppm2      9.091

 ASSI { 1272}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 13   and name  HB  ))
      4.213     2.106     2.106 peak  1272 weight  1.00000E+00 volume  1.63780E+05 ppm1      1.756 ppm2      9.093

 ASSI { 1273}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 13   and name  HB  ))
      5.852     2.926     2.148 peak  1273 weight  1.00000E+00 volume  2.27882E+04 ppm1      1.767 ppm2      8.937

 ASSI { 1274}
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 13   and name  HB  ))
      3.334     1.614     1.667 peak  1274 weight  1.00000E+00 volume  6.66825E+05 ppm1      1.763 ppm2      8.833

 ASSI { 1275}
   (  segid "   A" and resid 7    and name  HE# )
   (( segid "   A" and resid 13   and name  HB  ))
      5.120     2.560     2.560 peak  1275 weight  1.00000E+00 volume  -5.07930E+04 ppm1      1.762 ppm2      6.606

 ASSI { 1276}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 13   and name  HB  ))
      5.367     2.684     2.633 peak  1276 weight  1.00000E+00 volume  3.82872E+04 ppm1      1.766 ppm2      5.652

 ASSI { 1277}
   (( segid "   A" and resid 13   and name  HA  ))
   (( segid "   A" and resid 13   and name  HB  ))
      3.465     1.733     1.733 peak  1277 weight  1.00000E+00 volume  5.28730E+05 ppm1      1.761 ppm2      5.037

 ASSI { 1278}
   (( segid "   A" and resid 62   and name  HA  ))
   (( segid "   A" and resid 13   and name  HB  ))
      3.672     1.836     1.836 peak  1278 weight  1.00000E+00 volume  3.73747E+05 ppm1      1.763 ppm2      4.605

 ASSI { 1279}
   (( segid "   A" and resid 13   and name  HB  ))
   (( segid "   A" and resid 20   and name  HB2 ))
      5.236     2.618     2.618 peak  1279 weight  1.00000E+00 volume  5.94038E+03 ppm1      1.770 ppm2      2.598

 ASSI { 1282}
   (  segid "   A" and resid 13   and name  HD1#)
   (( segid "   A" and resid 13   and name  HB  ))
      2.899     1.179     1.449 peak  1282 weight  1.00000E+00 volume  1.54335E+06 ppm1      1.757 ppm2      0.466

 ASSI { 1284}
   (  segid "   A" and resid 22   and name  HG2#)
   (  segid "   A" and resid 13   and name  HD1#)
      2.949     1.229     1.475 peak  1284 weight  1.00000E+00 volume  1.39109E+06 ppm1      0.464 ppm2      0.320

 ASSI { 1286}
   (  segid "   A" and resid 13   and name  HD1#)
   (( segid "   A" and resid 7    and name  HA  ))
      5.585     2.793     2.415 peak  1286 weight  1.00000E+00 volume  3.01539E+04 ppm1      0.462 ppm2      3.778

 ASSI { 1287}
   (  segid "   A" and resid 13   and name  HD1#)
   (( segid "   A" and resid 4    and name  HA  ))
      5.437     2.718     2.563 peak  1287 weight  1.00000E+00 volume  3.54448E+04 ppm1      0.453 ppm2      4.443

 ASSI { 1289}
   (  segid "   A" and resid 13   and name  HD1#)
   (( segid "   A" and resid 12   and name  HA  ))
      3.579     1.789     1.789 peak  1289 weight  1.00000E+00 volume  4.35901E+05 ppm1      0.458 ppm2      5.626

 ASSI { 1290}
   (  segid "   A" and resid 13   and name  HD1#)
   (  segid "   A" and resid 7    and name  HD# )
      3.417     1.697     1.708 peak  1290 weight  1.00000E+00 volume  4.13520E+04 ppm1      0.459 ppm2      6.723

 ASSI { 1291}
   (( segid "   A" and resid 13   and name  HN  ))
   (  segid "   A" and resid 13   and name  HD1#)
      3.176     1.456     1.588 peak  1291 weight  1.00000E+00 volume  4.40998E+04 ppm1      0.458 ppm2      9.089

 ASSI { 1292}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 14   and name  HA  ))
      3.917     1.958     1.958 peak  1292 weight  1.00000E+00 volume  1.33014E+04 ppm1      5.600 ppm2      9.091

 ASSI { 1293}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 14   and name  HA  ))
      3.476     1.738     1.738 peak  1293 weight  1.00000E+00 volume  5.19102E+05 ppm1      5.596 ppm2      8.957

 ASSI { 1294}
   (( segid "   A" and resid 13   and name  HA  ))
   (( segid "   A" and resid 14   and name  HA  ))
      3.511     1.755     1.755 peak  1294 weight  1.00000E+00 volume  4.89124E+05 ppm1      5.597 ppm2      5.039

 ASSI { 1295}
   (( segid "   A" and resid 14   and name  HA  ))
   (( segid "   A" and resid 15   and name  HB  ))
      3.576     1.788     1.788 peak  1295 weight  1.00000E+00 volume  1.58462E+04 ppm1      5.600 ppm2      2.099

 ASSI { 1296}
   (( segid "   A" and resid 14   and name  HA  ))
   (  segid "   A" and resid 63   and name  HB# )
      3.544     1.772     1.772 peak  1296 weight  1.00000E+00 volume  2.38539E+04 ppm1      5.599 ppm2      0.853

 ASSI { 1298}
   (  segid "   A" and resid 19   and name  HD1#)
   (( segid "   A" and resid 14   and name  HB2 ))
      4.305     2.153     2.153 peak  1298 weight  1.00000E+00 volume  1.43797E+05 ppm1      3.503 ppm2      0.712

 ASSI { 1299}
   (( segid "   A" and resid 14   and name  HB2 ))
   (( segid "   A" and resid 63   and name  HA  ))
      4.115     2.058     2.058 peak  1299 weight  1.00000E+00 volume  1.88518E+05 ppm1      3.488 ppm2      4.608

 ASSI { 1300}
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 14   and name  HB2 ))
      3.950     1.975     1.975 peak  1300 weight  1.00000E+00 volume  2.41164E+05 ppm1      3.486 ppm2      5.087

 ASSI { 1301}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 14   and name  HB2 ))
      3.874     1.937     1.937 peak  1301 weight  1.00000E+00 volume  2.70843E+05 ppm1      3.492 ppm2      8.636

 ASSI { 1302}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 14   and name  HB1 ))
      5.404     2.702     2.596 peak  1302 weight  1.00000E+00 volume  3.67630E+04 ppm1      3.696 ppm2      8.631

 ASSI { 1303}
   (( segid "   A" and resid 14   and name  HB1 ))
   (( segid "   A" and resid 63   and name  HN  ))
      5.116     2.558     2.558 peak  1303 weight  1.00000E+00 volume  5.10852E+04 ppm1      3.696 ppm2      7.838

 ASSI { 1304}
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 14   and name  HB1 ))
      4.404     2.202     2.202 peak  1304 weight  1.00000E+00 volume  1.26910E+04 ppm1      3.696 ppm2      5.089

 ASSI { 1305}
   (( segid "   A" and resid 14   and name  HB1 ))
   (( segid "   A" and resid 63   and name  HA  ))
      3.535     1.767     1.767 peak  1305 weight  1.00000E+00 volume  4.69294E+05 ppm1      3.691 ppm2      4.602

 ASSI { 1307}
   (( segid "   A" and resid 14   and name  HB1 ))
   (  segid "   A" and resid 63   and name  HB# )
      3.891     1.946     1.946 peak  1307 weight  1.00000E+00 volume  2.68906E+04 ppm1      3.694 ppm2      0.848

 ASSI { 1308}
   (( segid "   A" and resid 15   and name  HA  ))
   (( segid "   A" and resid 15   and name  HB  ))
      2.834     1.114     1.417 peak  1308 weight  1.00000E+00 volume  5.74656E+04 ppm1      4.502 ppm2      2.100

 ASSI { 1309}
   (( segid "   A" and resid 15   and name  HA  ))
   (( segid "   A" and resid 14   and name  HB1 ))
      4.428     2.214     2.214 peak  1309 weight  1.00000E+00 volume  1.21490E+05 ppm1      4.496 ppm2      3.697

 ASSI { 1310}
   (( segid "   A" and resid 15   and name  HA  ))
   (( segid "   A" and resid 14   and name  HA  ))
      4.407     2.204     2.204 peak  1310 weight  1.00000E+00 volume  1.24896E+05 ppm1      4.503 ppm2      5.600

 ASSI { 1311}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 15   and name  HA  ))
      4.748     2.374     2.374 peak  1311 weight  1.00000E+00 volume  7.99066E+04 ppm1      4.506 ppm2      7.881

 ASSI { 1312}
   (( segid "   A" and resid 20   and name  HE1 ))
   (( segid "   A" and resid 15   and name  HB  ))
      3.225     1.505     1.613 peak  1312 weight  1.00000E+00 volume  5.83489E+04 ppm1      2.099 ppm2     10.150

 ASSI { 1313}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 15   and name  HB  ))
      3.249     1.529     1.625 peak  1313 weight  1.00000E+00 volume  2.99931E+04 ppm1      2.100 ppm2      8.632

 ASSI { 1315}
   (( segid "   A" and resid 20   and name  HD1 ))
   (( segid "   A" and resid 15   and name  HB  ))
      3.262     1.542     1.631 peak  1315 weight  1.00000E+00 volume  6.49756E+04 ppm1      2.099 ppm2      7.107

 ASSI { 1316}
   (( segid "   A" and resid 14   and name  HA  ))
   (( segid "   A" and resid 15   and name  HB  ))
      3.989     1.995     1.995 peak  1316 weight  1.00000E+00 volume  2.27082E+05 ppm1      2.101 ppm2      5.599

 ASSI { 1317}
   (( segid "   A" and resid 15   and name  HA  ))
   (( segid "   A" and resid 15   and name  HB  ))
      2.905     1.185     1.453 peak  1317 weight  1.00000E+00 volume  4.36274E+04 ppm1      2.100 ppm2      4.503

 ASSI { 1321}
   (( segid "   A" and resid 17   and name  HB2 ))
   (( segid "   A" and resid 16   and name  HA  ))
      5.262     2.631     2.631 peak  1321 weight  1.00000E+00 volume  4.31420E+04 ppm1      4.535 ppm2      3.112

 ASSI { 1323}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 16   and name  HA  ))
      4.066     2.033     2.033 peak  1323 weight  1.00000E+00 volume  6.86025E+03 ppm1      4.545 ppm2      7.883

 ASSI { 1324}
   (( segid "   A" and resid 17   and name  HN  ))
   (( segid "   A" and resid 16   and name  HA  ))
      3.787     1.893     1.893 peak  1324 weight  1.00000E+00 volume  2.18905E+04 ppm1      4.548 ppm2      8.875

 ASSI { 1325}
   (( segid "   A" and resid 20   and name  HE1 ))
   (( segid "   A" and resid 16   and name  HB2 ))
      5.197     2.598     2.598 peak  1325 weight  1.00000E+00 volume  1.10285E+04 ppm1      2.863 ppm2     10.149

 ASSI { 1326}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 16   and name  HB2 ))
      4.486     2.243     2.243 peak  1326 weight  1.00000E+00 volume  9.62288E+03 ppm1      2.858 ppm2      7.866

 ASSI { 1327}
   (( segid "   A" and resid 16   and name  HA  ))
   (( segid "   A" and resid 16   and name  HB2 ))
      5.546     2.773     2.454 peak  1327 weight  1.00000E+00 volume  3.14535E+04 ppm1      2.861 ppm2      4.536

 ASSI { 1328}
   (( segid "   A" and resid 15   and name  HA  ))
   (( segid "   A" and resid 16   and name  HB2 ))
      5.343     2.672     2.657 peak  1328 weight  1.00000E+00 volume  3.93348E+04 ppm1      2.862 ppm2      4.503

 ASSI { 1330}
   (( segid "   A" and resid 15   and name  HB  ))
   (( segid "   A" and resid 16   and name  HB2 ))
      5.171     2.586     2.586 peak  1330 weight  1.00000E+00 volume  -6.28362E+03 ppm1      2.860 ppm2      2.095

 ASSI { 1331}
   (  segid "   A" and resid 18   and name  HB# )
   (( segid "   A" and resid 16   and name  HB2 ))
      4.158     2.079     2.079 peak  1331 weight  1.00000E+00 volume  -1.94875E+03 ppm1      2.864 ppm2      1.107

 ASSI { 1332}
   (( segid "   A" and resid 17   and name  HB1 ))
   (( segid "   A" and resid 16   and name  HA  ))
      3.865     1.932     1.932 peak  1332 weight  1.00000E+00 volume  1.72465E+04 ppm1      2.900 ppm2      4.537

 ASSI { 1333}
   (( segid "   A" and resid 18   and name  HA  ))
   (( segid "   A" and resid 17   and name  HB1 ))
      3.460     1.730     1.730 peak  1333 weight  1.00000E+00 volume  1.56420E+04 ppm1      2.904 ppm2      4.477

 ASSI { 1334}
   (  segid "   A" and resid 18   and name  HB# )
   (( segid "   A" and resid 17   and name  HB1 ))
      4.354     2.177     2.177 peak  1334 weight  1.00000E+00 volume  1.01735E+04 ppm1      2.907 ppm2      1.107

 ASSI { 1335}
   (  segid "   A" and resid 18   and name  HB# )
   (( segid "   A" and resid 17   and name  HB2 ))
      4.575     2.287     2.287 peak  1335 weight  1.00000E+00 volume  1.12945E+04 ppm1      3.120 ppm2      1.128

 ASSI { 1337}
   (( segid "   A" and resid 18   and name  HA  ))
   (( segid "   A" and resid 17   and name  HB2 ))
      4.036     2.018     2.018 peak  1337 weight  1.00000E+00 volume  1.11491E+04 ppm1      3.106 ppm2      4.476

 ASSI { 1338}
   (( segid "   A" and resid 17   and name  HB2 ))
   (( segid "   A" and resid 16   and name  HA  ))
      4.037     2.018     2.018 peak  1338 weight  1.00000E+00 volume  8.82200E+03 ppm1      3.104 ppm2      4.536

 ASSI { 1339}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 17   and name  HB2 ))
      3.763     1.882     1.882 peak  1339 weight  1.00000E+00 volume  1.39885E+04 ppm1      3.111 ppm2      7.866

 ASSI { 1340}
   (( segid "   A" and resid 17   and name  HB2 ))
   (( segid "   A" and resid 17   and name  HN  ))
      5.240     2.620     2.620 peak  1340 weight  1.00000E+00 volume  1.38628E+04 ppm1      3.117 ppm2      8.874

 ASSI { 1342}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 18   and name  HA  ))
      4.301     2.150     2.150 peak  1342 weight  1.00000E+00 volume  1.44660E+05 ppm1      4.497 ppm2      8.616

 ASSI { 1343}
   (( segid "   A" and resid 45   and name  HN  ))
   (( segid "   A" and resid 18   and name  HA  ))
      4.528     2.264     2.264 peak  1343 weight  1.00000E+00 volume  1.28336E+04 ppm1      4.472 ppm2      8.185

 ASSI { 1344}
   (( segid "   A" and resid 18   and name  HA  ))
   (( segid "   A" and resid 20   and name  HD1 ))
      4.844     2.422     2.422 peak  1344 weight  1.00000E+00 volume  5.88825E+03 ppm1      4.478 ppm2      7.098

 ASSI { 1345}
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 18   and name  HA  ))
      4.374     2.187     2.187 peak  1345 weight  1.00000E+00 volume  8.35275E+03 ppm1      4.496 ppm2      5.092

 ASSI { 1346}
   (( segid "   A" and resid 18   and name  HA  ))
   (( segid "   A" and resid 17   and name  HA  ))
      3.618     1.809     1.809 peak  1346 weight  1.00000E+00 volume  1.64111E+04 ppm1      4.483 ppm2      4.284

 ASSI { 1347}
   (( segid "   A" and resid 18   and name  HA  ))
   (( segid "   A" and resid 17   and name  HB1 ))
      3.884     1.942     1.942 peak  1347 weight  1.00000E+00 volume  1.86179E+04 ppm1      4.479 ppm2      2.876

 ASSI { 1349}
   (( segid "   A" and resid 18   and name  HA  ))
   (  segid "   A" and resid 19   and name  HD1#)
      3.731     1.865     1.865 peak  1349 weight  1.00000E+00 volume  1.49555E+04 ppm1      4.479 ppm2      0.716

 ASSI { 1350}
   (  segid "   A" and resid 18   and name  HB# )
   (( segid "   A" and resid 19   and name  HB  ))
      3.982     1.991     1.991 peak  1350 weight  1.00000E+00 volume  2.29583E+05 ppm1      1.119 ppm2      1.771

 ASSI { 1351}
   (( segid "   A" and resid 45   and name  HB2 ))
   (  segid "   A" and resid 18   and name  HB# )
      5.546     2.773     2.454 peak  1351 weight  1.00000E+00 volume  3.14640E+04 ppm1      1.120 ppm2      1.799

 ASSI { 1352}
   (  segid "   A" and resid 18   and name  HB# )
   (( segid "   A" and resid 16   and name  HB2 ))
      5.913     2.956     2.087 peak  1352 weight  1.00000E+00 volume  2.14264E+04 ppm1      1.121 ppm2      2.864

 ASSI { 1353}
   (  segid "   A" and resid 18   and name  HB# )
   (( segid "   A" and resid 17   and name  HB1 ))
      8.000     4.000     0.000 peak  1353 weight  1.00000E+00 volume  -1.73512E+03 ppm1      1.121 ppm2      2.894

 ASSI { 1354}
   (  segid "   A" and resid 18   and name  HB# )
   (( segid "   A" and resid 17   and name  HB2 ))
      4.250     2.125     2.125 peak  1354 weight  1.00000E+00 volume  1.55363E+05 ppm1      1.108 ppm2      3.117

 ASSI { 1355}
   (  segid "   A" and resid 18   and name  HB# )
   (( segid "   A" and resid 43   and name  HA  ))
      4.657     2.329     2.329 peak  1355 weight  1.00000E+00 volume  1.53244E+04 ppm1      1.120 ppm2      3.924

 ASSI { 1356}
   (  segid "   A" and resid 18   and name  HB# )
   (( segid "   A" and resid 17   and name  HA  ))
      3.324     1.604     1.662 peak  1356 weight  1.00000E+00 volume  2.18890E+04 ppm1      1.115 ppm2      4.284

 ASSI { 1358}
   (( segid "   A" and resid 19   and name  HA  ))
   (  segid "   A" and resid 18   and name  HB# )
      3.626     1.813     1.813 peak  1358 weight  1.00000E+00 volume  1.56991E+04 ppm1      1.120 ppm2      5.088

 ASSI { 1359}
   (( segid "   A" and resid 20   and name  HA  ))
   (  segid "   A" and resid 18   and name  HB# )
      5.885     2.943     2.115 peak  1359 weight  1.00000E+00 volume  7.35762E+03 ppm1      1.123 ppm2      5.542

 ASSI { 1360}
   (  segid "   A" and resid 18   and name  HB# )
   (( segid "   A" and resid 20   and name  HD1 ))
      3.243     1.523     1.621 peak  1360 weight  1.00000E+00 volume  6.19661E+04 ppm1      1.115 ppm2      7.109

 ASSI { 1361}
   (( segid "   A" and resid 46   and name  HN  ))
   (  segid "   A" and resid 18   and name  HB# )
      6.396     3.198     1.604 peak  1361 weight  1.00000E+00 volume  1.33670E+04 ppm1      1.131 ppm2      7.297

 ASSI { 1362}
   (( segid "   A" and resid 19   and name  HN  ))
   (  segid "   A" and resid 18   and name  HB# )
      2.544     0.824     1.272 peak  1362 weight  1.00000E+00 volume  3.37741E+06 ppm1      1.120 ppm2      7.540

 ASSI { 1363}
   (( segid "   A" and resid 18   and name  HN  ))
   (  segid "   A" and resid 18   and name  HB# )
      2.701     0.981     1.350 peak  1363 weight  1.00000E+00 volume  2.35812E+06 ppm1      1.121 ppm2      7.871

 ASSI { 1364}
   (( segid "   A" and resid 44   and name  HN  ))
   (  segid "   A" and resid 18   and name  HB# )
      4.282     2.141     2.141 peak  1364 weight  1.00000E+00 volume  1.48429E+05 ppm1      1.125 ppm2      8.361

 ASSI { 1365}
   (( segid "   A" and resid 15   and name  HN  ))
   (  segid "   A" and resid 18   and name  HB# )
      3.749     1.875     1.875 peak  1365 weight  1.00000E+00 volume  2.47002E+04 ppm1      1.120 ppm2      8.631

 ASSI { 1366}
   (  segid "   A" and resid 18   and name  HB# )
   (( segid "   A" and resid 17   and name  HN  ))
      3.931     1.966     1.966 peak  1366 weight  1.00000E+00 volume  2.48106E+05 ppm1      1.109 ppm2      8.871

 ASSI { 1368}
   (( segid "   A" and resid 20   and name  HN  ))
   (  segid "   A" and resid 18   and name  HB# )
      4.049     2.024     2.024 peak  1368 weight  1.00000E+00 volume  2.07898E+05 ppm1      1.119 ppm2      8.956

 ASSI { 1369}
   (  segid "   A" and resid 18   and name  HB# )
   (( segid "   A" and resid 20   and name  HE1 ))
      2.691     0.971     1.345 peak  1369 weight  1.00000E+00 volume  2.41304E+06 ppm1      1.120 ppm2     10.152

 ASSI { 1370}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 19   and name  HA  ))
      3.893     1.946     1.946 peak  1370 weight  1.00000E+00 volume  1.35442E+04 ppm1      5.088 ppm2      9.087

 ASSI { 1371}
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 19   and name  HA  ))
      3.725     1.863     1.863 peak  1371 weight  1.00000E+00 volume  1.36621E+04 ppm1      5.089 ppm2      8.830

 ASSI { 1372}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 19   and name  HA  ))
      3.714     1.857     1.857 peak  1372 weight  1.00000E+00 volume  1.98975E+04 ppm1      5.088 ppm2      8.633

 ASSI { 1373}
   (( segid "   A" and resid 19   and name  HN  ))
   (( segid "   A" and resid 19   and name  HA  ))
      3.965     1.982     1.982 peak  1373 weight  1.00000E+00 volume  2.35776E+05 ppm1      5.094 ppm2      7.543

 ASSI { 1374}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 19   and name  HA  ))
      3.513     1.757     1.757 peak  1374 weight  1.00000E+00 volume  4.86688E+05 ppm1      5.088 ppm2      5.536

 ASSI { 1375}
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 18   and name  HA  ))
      3.191     1.471     1.595 peak  1375 weight  1.00000E+00 volume  8.67186E+05 ppm1      5.088 ppm2      4.480

 ASSI { 1377}
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 14   and name  HB1 ))
      3.715     1.857     1.857 peak  1377 weight  1.00000E+00 volume  3.48266E+05 ppm1      5.097 ppm2      3.702

 ASSI { 1378}
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 14   and name  HB2 ))
      6.560     3.280     1.440 peak  1378 weight  1.00000E+00 volume  1.14928E+04 ppm1      5.091 ppm2      3.498

 ASSI { 1379}
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 20   and name  HB2 ))
      6.694     3.347     1.306 peak  1379 weight  1.00000E+00 volume  4.76925E+03 ppm1      5.080 ppm2      2.606

 ASSI { 1380}
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 19   and name  HB  ))
      4.048     2.024     2.024 peak  1380 weight  1.00000E+00 volume  8.30375E+03 ppm1      5.071 ppm2      1.767

 ASSI { 1381}
   (( segid "   A" and resid 44   and name  HB2 ))
   (( segid "   A" and resid 19   and name  HA  ))
      5.630     2.815     2.370 peak  1381 weight  1.00000E+00 volume  -2.87485E+04 ppm1      5.090 ppm2      1.462

 ASSI { 1382}
   (( segid "   A" and resid 19   and name  HA  ))
   (  segid "   A" and resid 63   and name  HB# )
      3.751     1.876     1.876 peak  1382 weight  1.00000E+00 volume  3.28684E+05 ppm1      5.090 ppm2      0.849

 ASSI { 1383}
   (  segid "   A" and resid 44   and name  HD1#)
   (( segid "   A" and resid 19   and name  HA  ))
      3.747     1.873     1.873 peak  1383 weight  1.00000E+00 volume  3.30984E+05 ppm1      5.088 ppm2      0.787

 ASSI { 1384}
   (( segid "   A" and resid 19   and name  HA  ))
   (  segid "   A" and resid 19   and name  HD1#)
      3.936     1.968     1.968 peak  1384 weight  1.00000E+00 volume  2.01384E+04 ppm1      5.089 ppm2      0.715

 ASSI { 1385}
   (  segid "   A" and resid 44   and name  HD1#)
   (( segid "   A" and resid 19   and name  HB  ))
      2.644     0.924     1.322 peak  1385 weight  1.00000E+00 volume  1.31402E+05 ppm1      1.768 ppm2      0.786

 ASSI { 1387}
   (( segid "   A" and resid 12   and name  HB  ))
   (( segid "   A" and resid 19   and name  HB  ))
      4.214     2.107     2.107 peak  1387 weight  1.00000E+00 volume  5.45775E+03 ppm1      1.765 ppm2      3.943

 ASSI { 1388}
   (( segid "   A" and resid 18   and name  HA  ))
   (( segid "   A" and resid 19   and name  HB  ))
      4.179     2.090     2.090 peak  1388 weight  1.00000E+00 volume  6.37625E+02 ppm1      1.768 ppm2      4.473

 ASSI { 1390}
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 19   and name  HB  ))
      5.316     2.658     2.658 peak  1390 weight  1.00000E+00 volume  4.05699E+04 ppm1      1.769 ppm2      8.365

 ASSI { 1391}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 19   and name  HB  ))
      4.143     2.072     2.072 peak  1391 weight  1.00000E+00 volume  1.80955E+05 ppm1      1.759 ppm2      8.957

 ASSI { 1392}
   (( segid "   A" and resid 20   and name  HN  ))
   (  segid "   A" and resid 19   and name  HD1#)
      3.197     1.477     1.598 peak  1392 weight  1.00000E+00 volume  3.06956E+04 ppm1      0.716 ppm2      8.952

 ASSI { 1394}
   (( segid "   A" and resid 19   and name  HA  ))
   (  segid "   A" and resid 19   and name  HD1#)
      4.338     2.169     2.169 peak  1394 weight  1.00000E+00 volume  1.37378E+05 ppm1      0.707 ppm2      5.086

 ASSI { 1397}
   (  segid "   A" and resid 19   and name  HD1#)
   (( segid "   A" and resid 14   and name  HB1 ))
      5.169     2.584     2.584 peak  1397 weight  1.00000E+00 volume  1.14294E+04 ppm1      0.716 ppm2      3.697

 ASSI { 1398}
   (( segid "   A" and resid 20   and name  HA  ))
   (  segid "   A" and resid 41   and name  HD1#)
      3.429     1.709     1.714 peak  1398 weight  1.00000E+00 volume  3.40426E+04 ppm1      5.536 ppm2      0.792

 ASSI { 1399}
   (( segid "   A" and resid 20   and name  HA  ))
   (  segid "   A" and resid 18   and name  HB# )
      4.354     2.177     2.177 peak  1399 weight  1.00000E+00 volume  9.23500E+03 ppm1      5.536 ppm2      1.121

 ASSI { 1400}
   (( segid "   A" and resid 44   and name  HB2 ))
   (( segid "   A" and resid 20   and name  HA  ))
      3.811     1.905     1.905 peak  1400 weight  1.00000E+00 volume  1.92774E+04 ppm1      5.536 ppm2      1.478

 ASSI { 1401}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 41   and name  HB2 ))
      3.411     1.691     1.705 peak  1401 weight  1.00000E+00 volume  4.18799E+04 ppm1      5.542 ppm2      1.586

 ASSI { 1402}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 21   and name  HB1 ))
      3.710     1.855     1.855 peak  1402 weight  1.00000E+00 volume  2.60000E+04 ppm1      5.539 ppm2      1.679

 ASSI { 1403}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 20   and name  HB2 ))
      4.493     2.246     2.246 peak  1403 weight  1.00000E+00 volume  1.11318E+05 ppm1      5.539 ppm2      2.611

 ASSI { 1404}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 19   and name  HA  ))
      4.198     2.099     2.099 peak  1404 weight  1.00000E+00 volume  1.40698E+04 ppm1      5.531 ppm2      5.089

 ASSI { 1405}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 21   and name  HA  ))
      3.438     1.718     1.719 peak  1405 weight  1.00000E+00 volume  3.02981E+04 ppm1      5.537 ppm2      5.224

 ASSI { 1406}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 20   and name  HD1 ))
      4.277     2.138     2.138 peak  1406 weight  1.00000E+00 volume  1.45236E+04 ppm1      5.530 ppm2      7.105

 ASSI { 1407}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 20   and name  HA  ))
      3.854     1.927     1.927 peak  1407 weight  1.00000E+00 volume  1.64194E+04 ppm1      5.537 ppm2      9.088

 ASSI { 1408}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 20   and name  HA  ))
      3.245     1.525     1.622 peak  1408 weight  1.00000E+00 volume  4.91195E+04 ppm1      5.537 ppm2      9.275

 ASSI { 1409}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 20   and name  HA  ))
      3.926     1.963     1.963 peak  1409 weight  1.00000E+00 volume  1.39979E+04 ppm1      5.538 ppm2      9.339

 ASSI { 1410}
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 20   and name  HA  ))
      5.291     2.646     2.646 peak  1410 weight  1.00000E+00 volume  6.17000E+03 ppm1      5.555 ppm2      9.734

 ASSI { 1411}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 20   and name  HB2 ))
      5.385     2.693     2.615 peak  1411 weight  1.00000E+00 volume  5.34888E+03 ppm1      2.622 ppm2      9.342

 ASSI { 1412}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 20   and name  HB2 ))
      4.624     2.312     2.312 peak  1412 weight  1.00000E+00 volume  1.07940E+04 ppm1      2.619 ppm2      9.275

 ASSI { 1413}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 20   and name  HB2 ))
      4.448     2.224     2.224 peak  1413 weight  1.00000E+00 volume  7.57600E+03 ppm1      2.607 ppm2      9.090

 ASSI { 1414}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 20   and name  HB2 ))
      3.999     1.999     1.999 peak  1414 weight  1.00000E+00 volume  9.38362E+03 ppm1      2.605 ppm2      8.954

 ASSI { 1415}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 20   and name  HB2 ))
      4.178     2.089     2.089 peak  1415 weight  1.00000E+00 volume  1.42168E+04 ppm1      2.593 ppm2      8.918

 ASSI { 1416}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 20   and name  HB2 ))
      5.019     2.510     2.510 peak  1416 weight  1.00000E+00 volume  5.72404E+04 ppm1      2.611 ppm2      8.606

 ASSI { 1417}
   (( segid "   A" and resid 20   and name  HD1 ))
   (( segid "   A" and resid 20   and name  HB2 ))
      3.815     1.908     1.908 peak  1417 weight  1.00000E+00 volume  2.96815E+05 ppm1      2.601 ppm2      7.093

 ASSI { 1418}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 20   and name  HB2 ))
      4.376     2.188     2.188 peak  1418 weight  1.00000E+00 volume  1.03799E+04 ppm1      2.606 ppm2      5.611

 ASSI { 1419}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 20   and name  HB2 ))
      3.708     1.854     1.854 peak  1419 weight  1.00000E+00 volume  2.64418E+04 ppm1      2.604 ppm2      5.539

 ASSI { 1420}
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 20   and name  HB2 ))
      7.769     3.884     0.231 peak  1420 weight  1.00000E+00 volume  6.28475E+03 ppm1      2.622 ppm2      5.184

 ASSI { 1421}
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 20   and name  HB2 ))
      5.719     2.860     2.281 peak  1421 weight  1.00000E+00 volume  2.61585E+04 ppm1      2.604 ppm2      5.091

 ASSI { 1422}
   (( segid "   A" and resid 13   and name  HA  ))
   (( segid "   A" and resid 20   and name  HB2 ))
      6.443     3.221     1.557 peak  1422 weight  1.00000E+00 volume  -1.27979E+04 ppm1      2.610 ppm2      5.021

 ASSI { 1424}
   (( segid "   A" and resid 13   and name  HB  ))
   (( segid "   A" and resid 20   and name  HB2 ))
      4.476     2.238     2.238 peak  1424 weight  1.00000E+00 volume  1.13778E+05 ppm1      2.620 ppm2      1.772

 ASSI { 1425}
   (( segid "   A" and resid 41   and name  HB2 ))
   (( segid "   A" and resid 20   and name  HB2 ))
      3.693     1.846     1.846 peak  1425 weight  1.00000E+00 volume  3.61038E+05 ppm1      2.612 ppm2      1.565

 ASSI { 1426}
   (  segid "   A" and resid 41   and name  HD1#)
   (( segid "   A" and resid 20   and name  HB2 ))
      3.659     1.829     1.829 peak  1426 weight  1.00000E+00 volume  3.81537E+05 ppm1      2.604 ppm2      0.789

 ASSI { 1428}
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 21   and name  HB2 ))
      3.166     1.446     1.583 peak  1428 weight  1.00000E+00 volume  3.52840E+04 ppm1      5.224 ppm2      1.563

 ASSI { 1430}
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 21   and name  HB1 ))
      3.286     1.566     1.643 peak  1430 weight  1.00000E+00 volume  3.02664E+04 ppm1      5.224 ppm2      1.676

 ASSI { 1432}
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 12   and name  HB  ))
      4.270     2.135     2.135 peak  1432 weight  1.00000E+00 volume  5.62838E+03 ppm1      5.220 ppm2      3.971

 ASSI { 1433}
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 21   and name  HA  ))
      4.352     2.176     2.176 peak  1433 weight  1.00000E+00 volume  5.73125E+03 ppm1      5.220 ppm2      3.993

 ASSI { 1434}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 21   and name  HA  ))
      4.104     2.052     2.052 peak  1434 weight  1.00000E+00 volume  1.13988E+04 ppm1      5.224 ppm2      5.538

 ASSI { 1435}
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 12   and name  HA  ))
      3.487     1.744     1.744 peak  1435 weight  1.00000E+00 volume  3.60949E+04 ppm1      5.223 ppm2      5.640

 ASSI { 1436}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 21   and name  HA  ))
      2.759     1.039     1.379 peak  1436 weight  1.00000E+00 volume  7.75035E+04 ppm1      5.226 ppm2      8.916

 ASSI { 1438}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 21   and name  HA  ))
      2.622     0.902     1.311 peak  1438 weight  1.00000E+00 volume  1.29901E+05 ppm1      5.225 ppm2      9.089

 ASSI { 1439}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 21   and name  HA  ))
      3.655     1.827     1.827 peak  1439 weight  1.00000E+00 volume  2.70385E+04 ppm1      5.224 ppm2      9.276

 ASSI { 1440}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 21   and name  HA  ))
      3.951     1.975     1.975 peak  1440 weight  1.00000E+00 volume  2.40692E+05 ppm1      5.222 ppm2      9.347

 ASSI { 1441}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 21   and name  HB1 ))
      3.587     1.794     1.794 peak  1441 weight  1.00000E+00 volume  4.29765E+05 ppm1      1.669 ppm2      9.349

 ASSI { 1442}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 21   and name  HB2 ))
      3.825     1.912     1.912 peak  1442 weight  1.00000E+00 volume  1.17141E+04 ppm1      1.559 ppm2      9.275

 ASSI { 1443}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 21   and name  HB1 ))
      3.288     1.568     1.644 peak  1443 weight  1.00000E+00 volume  7.24483E+05 ppm1      1.678 ppm2      9.277

 ASSI { 1444}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 21   and name  HB2 ))
      4.041     2.020     2.020 peak  1444 weight  1.00000E+00 volume  2.10270E+05 ppm1      1.565 ppm2      8.917

 ASSI { 1446}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 21   and name  HB1 ))
      5.289     2.644     2.644 peak  1446 weight  1.00000E+00 volume  -4.18364E+04 ppm1      1.660 ppm2      5.544

 ASSI { 1447}
   (( segid "   A" and resid 21   and name  HB2 ))
   (( segid "   A" and resid 12   and name  HA  ))
      5.195     2.597     2.597 peak  1447 weight  1.00000E+00 volume  4.65795E+04 ppm1      1.540 ppm2      5.638

 ASSI { 1448}
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 21   and name  HB1 ))
      3.626     1.813     1.813 peak  1448 weight  1.00000E+00 volume  4.02733E+05 ppm1      1.677 ppm2      5.223

 ASSI { 1449}
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 21   and name  HB2 ))
      3.729     1.865     1.865 peak  1449 weight  1.00000E+00 volume  3.40234E+05 ppm1      1.562 ppm2      5.224

 ASSI { 1451}
   (  segid "   A" and resid 44   and name  HD1#)
   (( segid "   A" and resid 21   and name  HB2 ))
      2.986     1.266     1.493 peak  1451 weight  1.00000E+00 volume  1.29248E+06 ppm1      1.564 ppm2      0.788

 ASSI { 1453}
   (( segid "   A" and resid 22   and name  HA  ))
   (  segid "   A" and resid 22   and name  HG2#)
      3.419     1.699     1.709 peak  1453 weight  1.00000E+00 volume  5.73251E+05 ppm1      3.984 ppm2      0.331

 ASSI { 1454}
   (( segid "   A" and resid 22   and name  HA  ))
   (  segid "   A" and resid 22   and name  HG1#)
      2.586     0.866     1.293 peak  1454 weight  1.00000E+00 volume  3.06249E+06 ppm1      3.985 ppm2      0.699

 ASSI { 1455}
   (( segid "   A" and resid 22   and name  HA  ))
   (  segid "   A" and resid 41   and name  HD1#)
      2.918     1.198     1.459 peak  1455 weight  1.00000E+00 volume  1.48286E+06 ppm1      3.984 ppm2      0.792

 ASSI { 1456}
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 23   and name  HG12))
      4.405     2.202     2.202 peak  1456 weight  1.00000E+00 volume  9.46300E+03 ppm1      3.992 ppm2      1.259

 ASSI { 1457}
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 23   and name  HG11))
      4.045     2.023     2.023 peak  1457 weight  1.00000E+00 volume  2.08949E+05 ppm1      3.992 ppm2      1.366

 ASSI { 1458}
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 41   and name  HB2 ))
      4.348     2.174     2.174 peak  1458 weight  1.00000E+00 volume  5.83200E+03 ppm1      3.982 ppm2      1.585

 ASSI { 1459}
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 23   and name  HB  ))
      4.080     2.040     2.040 peak  1459 weight  1.00000E+00 volume  6.12575E+03 ppm1      3.993 ppm2      1.914

 ASSI { 1460}
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 22   and name  HB  ))
      4.438     2.219     2.219 peak  1460 weight  1.00000E+00 volume  7.50700E+03 ppm1      3.984 ppm2      2.148

 ASSI { 1461}
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 21   and name  HA  ))
      4.116     2.058     2.058 peak  1461 weight  1.00000E+00 volume  1.88316E+05 ppm1      3.965 ppm2      5.222

 ASSI { 1462}
   (( segid "   A" and resid 41   and name  HA  ))
   (( segid "   A" and resid 22   and name  HA  ))
      3.936     1.968     1.968 peak  1462 weight  1.00000E+00 volume  2.46352E+05 ppm1      3.957 ppm2      5.330

 ASSI { 1463}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 22   and name  HA  ))
      3.766     1.883     1.883 peak  1463 weight  1.00000E+00 volume  3.21081E+05 ppm1      3.978 ppm2      7.992

 ASSI { 1464}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 22   and name  HA  ))
      3.738     1.869     1.869 peak  1464 weight  1.00000E+00 volume  3.35606E+05 ppm1      3.981 ppm2      8.915

 ASSI { 1465}
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 22   and name  HA  ))
      3.726     1.863     1.863 peak  1465 weight  1.00000E+00 volume  2.68220E+04 ppm1      3.980 ppm2      9.013

 ASSI { 1466}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 22   and name  HA  ))
      3.239     1.519     1.619 peak  1466 weight  1.00000E+00 volume  5.97402E+04 ppm1      3.980 ppm2      9.090

 ASSI { 1467}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 22   and name  HA  ))
      3.949     1.974     1.974 peak  1467 weight  1.00000E+00 volume  2.41486E+05 ppm1      3.971 ppm2      9.188

 ASSI { 1468}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 22   and name  HA  ))
      6.620     3.310     1.380 peak  1468 weight  1.00000E+00 volume  1.08786E+04 ppm1      3.969 ppm2      9.277

 ASSI { 1469}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 22   and name  HA  ))
      4.464     2.232     2.232 peak  1469 weight  1.00000E+00 volume  1.15666E+05 ppm1      3.973 ppm2      9.350

 ASSI { 1470}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 22   and name  HB  ))
      4.739     2.370     2.370 peak  1470 weight  1.00000E+00 volume  8.07975E+04 ppm1      2.162 ppm2      9.187

 ASSI { 1471}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 22   and name  HB  ))
      4.269     2.134     2.134 peak  1471 weight  1.00000E+00 volume  1.51330E+05 ppm1      2.163 ppm2      9.092

 ASSI { 1472}
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 22   and name  HB  ))
      3.649     1.825     1.825 peak  1472 weight  1.00000E+00 volume  3.87558E+05 ppm1      2.161 ppm2      7.151

 ASSI { 1473}
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 22   and name  HB  ))
      3.861     1.931     1.931 peak  1473 weight  1.00000E+00 volume  2.76249E+05 ppm1      2.164 ppm2      5.226

 ASSI { 1475}
   (( segid "   A" and resid 23   and name  HA  ))
   (( segid "   A" and resid 22   and name  HB  ))
      3.902     1.951     1.951 peak  1475 weight  1.00000E+00 volume  2.59423E+05 ppm1      2.164 ppm2      4.393

 ASSI { 1476}
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 22   and name  HB  ))
      4.506     2.253     2.253 peak  1476 weight  1.00000E+00 volume  1.09381E+05 ppm1      2.159 ppm2      3.992

 ASSI { 1477}
   (( segid "   A" and resid 22   and name  HB  ))
   (( segid "   A" and resid 7    and name  HA  ))
      4.646     2.323     2.323 peak  1477 weight  1.00000E+00 volume  9.10044E+04 ppm1      2.163 ppm2      3.793

 ASSI { 1480}
   (( segid "   A" and resid 22   and name  HB  ))
   (  segid "   A" and resid 22   and name  HG1#)
      2.910     1.190     1.455 peak  1480 weight  1.00000E+00 volume  9.23409E+04 ppm1      2.164 ppm2      0.701

 ASSI { 1483}
   (  segid "   A" and resid 22   and name  HG2#)
   (( segid "   A" and resid 13   and name  HB  ))
      3.670     1.835     1.835 peak  1483 weight  1.00000E+00 volume  3.74752E+05 ppm1      0.330 ppm2      1.761

 ASSI { 1485}
   (  segid "   A" and resid 22   and name  HG2#)
   (( segid "   A" and resid 7    and name  HB1 ))
      5.049     2.524     2.524 peak  1485 weight  1.00000E+00 volume  -5.52852E+04 ppm1      0.319 ppm2      2.314

 ASSI { 1486}
   (  segid "   A" and resid 22   and name  HG2#)
   (( segid "   A" and resid 20   and name  HB2 ))
      4.610     2.305     2.305 peak  1486 weight  1.00000E+00 volume  -9.54300E+04 ppm1      0.342 ppm2      2.601

 ASSI { 1487}
   (  segid "   A" and resid 22   and name  HG2#)
   (( segid "   A" and resid 25   and name  HB1 ))
      4.068     2.034     2.034 peak  1487 weight  1.00000E+00 volume  -2.02114E+05 ppm1      0.330 ppm2      2.718

 ASSI { 1489}
   (  segid "   A" and resid 22   and name  HG2#)
   (( segid "   A" and resid 7    and name  HA  ))
      3.741     1.870     1.870 peak  1489 weight  1.00000E+00 volume  2.38541E+04 ppm1      0.336 ppm2      3.792

 ASSI { 1490}
   (( segid "   A" and resid 39   and name  HB2 ))
   (  segid "   A" and resid 22   and name  HG2#)
      3.164     1.444     1.582 peak  1490 weight  1.00000E+00 volume  7.13079E+04 ppm1      0.335 ppm2      3.922

 ASSI { 1491}
   (( segid "   A" and resid 22   and name  HA  ))
   (  segid "   A" and resid 22   and name  HG2#)
      2.933     1.213     1.467 peak  1491 weight  1.00000E+00 volume  1.05340E+05 ppm1      0.331 ppm2      3.993

 ASSI { 1492}
   (( segid "   A" and resid 23   and name  HA  ))
   (  segid "   A" and resid 22   and name  HG2#)
      4.061     2.031     2.031 peak  1492 weight  1.00000E+00 volume  1.54929E+04 ppm1      0.327 ppm2      4.396

 ASSI { 1496}
   (( segid "   A" and resid 21   and name  HA  ))
   (  segid "   A" and resid 22   and name  HG2#)
      3.365     1.645     1.683 peak  1496 weight  1.00000E+00 volume  6.30136E+05 ppm1      0.331 ppm2      5.225

 ASSI { 1497}
   (( segid "   A" and resid 41   and name  HA  ))
   (  segid "   A" and resid 22   and name  HG2#)
      3.838     1.919     1.919 peak  1497 weight  1.00000E+00 volume  1.61140E+04 ppm1      0.331 ppm2      5.328

 ASSI { 1498}
   (( segid "   A" and resid 39   and name  HA  ))
   (  segid "   A" and resid 22   and name  HG2#)
      5.766     2.883     2.234 peak  1498 weight  1.00000E+00 volume  1.10951E+04 ppm1      0.330 ppm2      5.385

 ASSI { 1500}
   (  segid "   A" and resid 22   and name  HG2#)
   (( segid "   A" and resid 12   and name  HA  ))
      6.530     3.265     1.470 peak  1500 weight  1.00000E+00 volume  1.18065E+04 ppm1      0.334 ppm2      5.629

 ASSI { 1501}
   (  segid "   A" and resid 22   and name  HG2#)
   (( segid "   A" and resid 8    and name  HN  ))
      3.784     1.892     1.892 peak  1501 weight  1.00000E+00 volume  3.11734E+05 ppm1      0.330 ppm2      6.124

 ASSI { 1502}
   (( segid "   A" and resid 11   and name  HN  ))
   (  segid "   A" and resid 22   and name  HG2#)
      3.413     1.693     1.706 peak  1502 weight  1.00000E+00 volume  5.79725E+05 ppm1      0.331 ppm2      7.150

 ASSI { 1503}
   (( segid "   A" and resid 24   and name  HN  ))
   (  segid "   A" and resid 22   and name  HG2#)
      3.800     1.900     1.900 peak  1503 weight  1.00000E+00 volume  3.03999E+05 ppm1      0.324 ppm2      7.991

 ASSI { 1504}
   (  segid "   A" and resid 22   and name  HG2#)
   (( segid "   A" and resid 25   and name  HN  ))
      5.492     2.746     2.508 peak  1504 weight  1.00000E+00 volume  -3.33686E+04 ppm1      0.337 ppm2      8.154

 ASSI { 1505}
   (( segid "   A" and resid 40   and name  HN  ))
   (  segid "   A" and resid 22   and name  HG2#)
      4.632     2.316     2.316 peak  1505 weight  1.00000E+00 volume  -9.27082E+04 ppm1      0.329 ppm2      8.603

 ASSI { 1507}
   (( segid "   A" and resid 10   and name  HN  ))
   (  segid "   A" and resid 22   and name  HG2#)
      3.604     1.802     1.802 peak  1507 weight  1.00000E+00 volume  2.86104E+04 ppm1      0.331 ppm2      9.188

 ASSI { 1508}
   (( segid "   A" and resid 21   and name  HN  ))
   (  segid "   A" and resid 22   and name  HG2#)
      4.377     2.188     2.188 peak  1508 weight  1.00000E+00 volume  1.63728E+04 ppm1      0.330 ppm2      9.274

 ASSI { 1509}
   (( segid "   A" and resid 42   and name  HN  ))
   (  segid "   A" and resid 22   and name  HG2#)
      4.826     2.413     2.413 peak  1509 weight  1.00000E+00 volume  7.24945E+04 ppm1      0.329 ppm2      9.348

 ASSI { 1510}
   (( segid "   A" and resid 24   and name  HN  ))
   (  segid "   A" and resid 22   and name  HG1#)
      4.183     2.091     2.091 peak  1510 weight  1.00000E+00 volume  1.70961E+05 ppm1      0.698 ppm2      7.996

 ASSI { 1511}
   (( segid "   A" and resid 23   and name  HA  ))
   (  segid "   A" and resid 22   and name  HG1#)
      3.176     1.456     1.588 peak  1511 weight  1.00000E+00 volume  8.91244E+05 ppm1      4.389 ppm2      0.700

 ASSI { 1512}
   (( segid "   A" and resid 23   and name  HA  ))
   (  segid "   A" and resid 23   and name  HG2#)
      3.058     1.338     1.529 peak  1512 weight  1.00000E+00 volume  1.12006E+06 ppm1      4.392 ppm2      0.724

 ASSI { 1514}
   (( segid "   A" and resid 23   and name  HA  ))
   (( segid "   A" and resid 23   and name  HG12))
      3.272     1.552     1.636 peak  1514 weight  1.00000E+00 volume  7.46350E+05 ppm1      4.392 ppm2      1.260

 ASSI { 1515}
   (( segid "   A" and resid 23   and name  HA  ))
   (( segid "   A" and resid 23   and name  HG11))
      3.167     1.447     1.583 peak  1515 weight  1.00000E+00 volume  2.87872E+04 ppm1      4.389 ppm2      1.366

 ASSI { 1516}
   (( segid "   A" and resid 23   and name  HA  ))
   (( segid "   A" and resid 23   and name  HB  ))
      3.227     1.507     1.614 peak  1516 weight  1.00000E+00 volume  3.25905E+04 ppm1      4.390 ppm2      1.908

 ASSI { 1518}
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 23   and name  HA  ))
      3.906     1.953     1.953 peak  1518 weight  1.00000E+00 volume  1.86646E+04 ppm1      4.387 ppm2      3.993

 ASSI { 1520}
   (( segid "   A" and resid 24   and name  HA  ))
   (( segid "   A" and resid 23   and name  HA  ))
      3.297     1.577     1.648 peak  1520 weight  1.00000E+00 volume  2.79368E+04 ppm1      4.392 ppm2      4.781

 ASSI { 1521}
   (( segid "   A" and resid 41   and name  HA  ))
   (( segid "   A" and resid 23   and name  HA  ))
      4.405     2.203     2.203 peak  1521 weight  1.00000E+00 volume  1.31561E+04 ppm1      4.391 ppm2      5.331

 ASSI { 1522}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 23   and name  HA  ))
      3.609     1.804     1.804 peak  1522 weight  1.00000E+00 volume  4.14345E+05 ppm1      4.385 ppm2      8.013

 ASSI { 1523}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 23   and name  HA  ))
      3.367     1.647     1.683 peak  1523 weight  1.00000E+00 volume  6.28644E+05 ppm1      4.389 ppm2      9.091

 ASSI { 1524}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 23   and name  HA  ))
      3.676     1.838     1.838 peak  1524 weight  1.00000E+00 volume  1.24148E+04 ppm1      4.391 ppm2      9.183

 ASSI { 1525}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 23   and name  HB  ))
      4.251     2.126     2.126 peak  1525 weight  1.00000E+00 volume  1.19249E+04 ppm1      1.915 ppm2      9.357

 ASSI { 1526}
   (( segid "   A" and resid 41   and name  HA  ))
   (( segid "   A" and resid 23   and name  HB  ))
      4.294     2.147     2.147 peak  1526 weight  1.00000E+00 volume  1.08672E+04 ppm1      1.922 ppm2      5.330

 ASSI { 1527}
   (( segid "   A" and resid 24   and name  HA  ))
   (( segid "   A" and resid 23   and name  HB  ))
      3.360     1.640     1.680 peak  1527 weight  1.00000E+00 volume  6.36698E+05 ppm1      1.915 ppm2      4.778

 ASSI { 1528}
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 23   and name  HB  ))
      3.573     1.787     1.787 peak  1528 weight  1.00000E+00 volume  4.39938E+05 ppm1      1.916 ppm2      3.990

 ASSI { 1529}
   (( segid "   A" and resid 23   and name  HB  ))
   (( segid "   A" and resid 24   and name  HB2 ))
      5.947     2.973     2.053 peak  1529 weight  1.00000E+00 volume  2.06971E+04 ppm1      1.914 ppm2      2.795

 ASSI { 1531}
   (( segid "   A" and resid 23   and name  HB  ))
   (( segid "   A" and resid 23   and name  HG12))
      2.869     1.149     1.435 peak  1531 weight  1.00000E+00 volume  1.64006E+06 ppm1      1.914 ppm2      1.265

 ASSI { 1532}
   (( segid "   A" and resid 23   and name  HB  ))
   (  segid "   A" and resid 22   and name  HG2#)
      4.658     2.329     2.329 peak  1532 weight  1.00000E+00 volume  8.96579E+04 ppm1      1.930 ppm2      0.311

 ASSI { 1536}
   (( segid "   A" and resid 24   and name  HA  ))
   (( segid "   A" and resid 25   and name  HB1 ))
      3.290     1.570     1.645 peak  1536 weight  1.00000E+00 volume  6.21674E+04 ppm1      4.790 ppm2      2.701

 ASSI { 1537}
   (( segid "   A" and resid 24   and name  HA  ))
   (( segid "   A" and resid 24   and name  HB2 ))
      3.386     1.666     1.693 peak  1537 weight  1.00000E+00 volume  4.75101E+04 ppm1      4.789 ppm2      2.801

 ASSI { 1541}
   (( segid "   A" and resid 24   and name  HA  ))
   (( segid "   A" and resid 25   and name  HN  ))
      4.078     2.039     2.039 peak  1541 weight  1.00000E+00 volume  1.99065E+05 ppm1      4.794 ppm2      8.168

 ASSI { 1544}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 24   and name  HB2 ))
      4.596     2.298     2.298 peak  1544 weight  1.00000E+00 volume  9.71922E+04 ppm1      2.803 ppm2      8.582

 ASSI { 1546}
   (( segid "   A" and resid 24   and name  HB2 ))
   (( segid "   A" and resid 25   and name  HN  ))
      4.927     2.463     2.463 peak  1546 weight  1.00000E+00 volume  6.40018E+04 ppm1      2.784 ppm2      8.151

 ASSI { 1547}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 24   and name  HB2 ))
      3.888     1.944     1.944 peak  1547 weight  1.00000E+00 volume  2.64930E+05 ppm1      2.790 ppm2      8.001

 ASSI { 1550}
   (( segid "   A" and resid 24   and name  HA  ))
   (( segid "   A" and resid 24   and name  HB2 ))
      3.205     1.485     1.602 peak  1550 weight  1.00000E+00 volume  8.45396E+05 ppm1      2.794 ppm2      4.781

 ASSI { 1552}
   (  segid "   A" and resid 37   and name  HG1#)
   (( segid "   A" and resid 25   and name  HA  ))
      3.496     1.748     1.748 peak  1552 weight  1.00000E+00 volume  5.01296E+05 ppm1      5.451 ppm2      0.580

 ASSI { 1553}
   (( segid "   A" and resid 25   and name  HA  ))
   (  segid "   A" and resid 22   and name  HG1#)
      3.262     1.542     1.631 peak  1553 weight  1.00000E+00 volume  7.60409E+05 ppm1      5.452 ppm2      0.700

 ASSI { 1554}
   (( segid "   A" and resid 25   and name  HA  ))
   (( segid "   A" and resid 26   and name  HB2 ))
      3.645     1.822     1.822 peak  1554 weight  1.00000E+00 volume  8.71350E+03 ppm1      5.455 ppm2      1.856

 ASSI { 1556}
   (( segid "   A" and resid 39   and name  HB2 ))
   (( segid "   A" and resid 25   and name  HA  ))
      3.502     1.751     1.751 peak  1556 weight  1.00000E+00 volume  8.54550E+03 ppm1      5.449 ppm2      3.922

 ASSI { 1557}
   (( segid "   A" and resid 25   and name  HA  ))
   (( segid "   A" and resid 24   and name  HA  ))
      3.410     1.690     1.705 peak  1557 weight  1.00000E+00 volume  5.82612E+05 ppm1      5.450 ppm2      4.776

 ASSI { 1558}
   (( segid "   A" and resid 26   and name  HA  ))
   (( segid "   A" and resid 25   and name  HA  ))
      3.549     1.774     1.774 peak  1558 weight  1.00000E+00 volume  4.58464E+05 ppm1      5.443 ppm2      5.209

 ASSI { 1559}
   (( segid "   A" and resid 39   and name  HA  ))
   (( segid "   A" and resid 25   and name  HA  ))
      2.766     1.046     1.383 peak  1559 weight  1.00000E+00 volume  2.04513E+06 ppm1      5.449 ppm2      5.384

 ASSI { 1560}
   (( segid "   A" and resid 25   and name  HA  ))
   (  segid "   A" and resid 7    and name  HD# )
      3.860     1.930     1.930 peak  1560 weight  1.00000E+00 volume  2.76586E+05 ppm1      5.463 ppm2      6.719

 ASSI { 1561}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 25   and name  HA  ))
      4.446     2.223     2.223 peak  1561 weight  1.00000E+00 volume  1.18608E+05 ppm1      5.435 ppm2      7.997

 ASSI { 1562}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 25   and name  HA  ))
      3.277     1.557     1.638 peak  1562 weight  1.00000E+00 volume  7.39636E+05 ppm1      5.451 ppm2      8.600

 ASSI { 1563}
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 25   and name  HA  ))
      3.521     1.761     1.761 peak  1563 weight  1.00000E+00 volume  6.55512E+03 ppm1      5.461 ppm2      8.982

 ASSI { 1564}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 25   and name  HB1 ))
      4.689     2.344     2.344 peak  1564 weight  1.00000E+00 volume  1.29594E+04 ppm1      2.707 ppm2      8.601

 ASSI { 1565}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 25   and name  HB1 ))
      4.478     2.239     2.239 peak  1565 weight  1.00000E+00 volume  2.04255E+04 ppm1      2.706 ppm2      8.722

 ASSI { 1566}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 25   and name  HB2 ))
      3.715     1.857     1.857 peak  1566 weight  1.00000E+00 volume  1.54990E+04 ppm1      3.180 ppm2      8.721

 ASSI { 1569}
   (  segid "   A" and resid 7    and name  HD# )
   (( segid "   A" and resid 25   and name  HB1 ))
      5.290     2.645     2.645 peak  1569 weight  1.00000E+00 volume  4.17640E+04 ppm1      2.709 ppm2      6.734

 ASSI { 1570}
   (  segid "   A" and resid 7    and name  HD# )
   (( segid "   A" and resid 25   and name  HB2 ))
      3.659     1.830     1.830 peak  1570 weight  1.00000E+00 volume  3.81314E+05 ppm1      3.180 ppm2      6.734

 ASSI { 1571}
   (( segid "   A" and resid 39   and name  HA  ))
   (( segid "   A" and resid 25   and name  HB1 ))
      3.837     1.919     1.919 peak  1571 weight  1.00000E+00 volume  2.86880E+05 ppm1      2.709 ppm2      5.385

 ASSI { 1572}
   (( segid "   A" and resid 39   and name  HA  ))
   (( segid "   A" and resid 25   and name  HB2 ))
      4.403     2.202     2.202 peak  1572 weight  1.00000E+00 volume  1.25579E+05 ppm1      3.179 ppm2      5.386

 ASSI { 1573}
   (( segid "   A" and resid 24   and name  HA  ))
   (( segid "   A" and resid 25   and name  HB2 ))
      3.764     1.882     1.882 peak  1573 weight  1.00000E+00 volume  3.22007E+05 ppm1      3.180 ppm2      4.778

 ASSI { 1574}
   (( segid "   A" and resid 24   and name  HA  ))
   (( segid "   A" and resid 25   and name  HB1 ))
      3.105     1.385     1.552 peak  1574 weight  1.00000E+00 volume  1.02172E+06 ppm1      2.710 ppm2      4.776

 ASSI { 1575}
   (( segid "   A" and resid 39   and name  HB2 ))
   (( segid "   A" and resid 25   and name  HB1 ))
      4.688     2.344     2.344 peak  1575 weight  1.00000E+00 volume  1.04848E+04 ppm1      2.704 ppm2      3.921

 ASSI { 1576}
   (  segid "   A" and resid 22   and name  HG1#)
   (( segid "   A" and resid 25   and name  HB1 ))
      3.487     1.743     1.743 peak  1576 weight  1.00000E+00 volume  1.48305E+04 ppm1      2.705 ppm2      0.698

 ASSI { 1577}
   (  segid "   A" and resid 37   and name  HG1#)
   (( segid "   A" and resid 25   and name  HB1 ))
      3.802     1.901     1.901 peak  1577 weight  1.00000E+00 volume  1.57890E+04 ppm1      2.709 ppm2      0.569

 ASSI { 1578}
   (  segid "   A" and resid 37   and name  HG1#)
   (( segid "   A" and resid 25   and name  HB2 ))
      3.325     1.605     1.662 peak  1578 weight  1.00000E+00 volume  6.77605E+05 ppm1      3.179 ppm2      0.570

 ASSI { 1582}
   (( segid "   A" and resid 26   and name  HA  ))
   (( segid "   A" and resid 25   and name  HA  ))
      3.566     1.783     1.783 peak  1582 weight  1.00000E+00 volume  4.45560E+05 ppm1      5.199 ppm2      5.451

 ASSI { 1583}
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 26   and name  HA  ))
      2.842     1.122     1.421 peak  1583 weight  1.00000E+00 volume  1.73671E+06 ppm1      5.207 ppm2      8.921

 ASSI { 1585}
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 26   and name  HB2 ))
      3.926     1.963     1.963 peak  1585 weight  1.00000E+00 volume  5.14786E+04 ppm1      1.853 ppm2      8.881

 ASSI { 1586}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 26   and name  HB2 ))
      3.286     1.566     1.643 peak  1586 weight  1.00000E+00 volume  6.11390E+04 ppm1      1.853 ppm2      8.719

 ASSI { 1587}
   (( segid "   A" and resid 25   and name  HA  ))
   (( segid "   A" and resid 26   and name  HB2 ))
      3.988     1.994     1.994 peak  1587 weight  1.00000E+00 volume  2.27576E+05 ppm1      1.854 ppm2      5.449

 ASSI { 1588}
   (( segid "   A" and resid 39   and name  HA  ))
   (( segid "   A" and resid 26   and name  HB2 ))
      5.136     2.568     2.568 peak  1588 weight  1.00000E+00 volume  -4.99032E+04 ppm1      1.855 ppm2      5.384

 ASSI { 1589}
   (( segid "   A" and resid 26   and name  HA  ))
   (( segid "   A" and resid 26   and name  HB2 ))
      3.162     1.442     1.581 peak  1589 weight  1.00000E+00 volume  9.15864E+05 ppm1      1.854 ppm2      5.207

 ASSI { 1592}
   (  segid "   A" and resid 37   and name  HG1#)
   (( segid "   A" and resid 27   and name  HA  ))
      3.194     1.474     1.597 peak  1592 weight  1.00000E+00 volume  8.62950E+05 ppm1      4.826 ppm2      0.561

 ASSI { 1593}
   (( segid "   A" and resid 27   and name  HA  ))
   (  segid "   A" and resid 28   and name  HG1#)
      3.244     1.524     1.622 peak  1593 weight  1.00000E+00 volume  7.85678E+05 ppm1      4.826 ppm2      0.585

 ASSI { 1594}
   (  segid "   A" and resid 35   and name  HB# )
   (( segid "   A" and resid 27   and name  HA  ))
      3.964     1.982     1.982 peak  1594 weight  1.00000E+00 volume  2.35934E+05 ppm1      4.817 ppm2      1.435

 ASSI { 1595}
   (( segid "   A" and resid 27   and name  HA  ))
   (( segid "   A" and resid 28   and name  HB  ))
      3.510     1.755     1.755 peak  1595 weight  1.00000E+00 volume  4.89215E+05 ppm1      4.815 ppm2      2.081

 ASSI { 1596}
   (( segid "   A" and resid 27   and name  HA  ))
   (( segid "   A" and resid 28   and name  HA  ))
      3.603     1.801     1.801 peak  1596 weight  1.00000E+00 volume  8.82850E+03 ppm1      4.813 ppm2      3.945

 ASSI { 1597}
   (( segid "   A" and resid 37   and name  HA  ))
   (( segid "   A" and resid 27   and name  HA  ))
      2.409     0.689     1.204 peak  1597 weight  1.00000E+00 volume  1.44018E+05 ppm1      4.813 ppm2      4.841

 ASSI { 1598}
   (( segid "   A" and resid 27   and name  HA  ))
   (( segid "   A" and resid 26   and name  HA  ))
      4.199     2.100     2.100 peak  1598 weight  1.00000E+00 volume  -1.66940E+05 ppm1      4.815 ppm2      5.207

 ASSI { 1599}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 27   and name  HA  ))
      5.769     2.885     2.231 peak  1599 weight  1.00000E+00 volume  -1.25294E+04 ppm1      4.817 ppm2      8.716

 ASSI { 1600}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 27   and name  HA  ))
      3.142     1.422     1.571 peak  1600 weight  1.00000E+00 volume  9.51928E+05 ppm1      4.817 ppm2      8.841

 ASSI { 1601}
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 27   and name  HA  ))
      3.272     1.552     1.636 peak  1601 weight  1.00000E+00 volume  7.46124E+05 ppm1      4.815 ppm2      8.881

 ASSI { 1602}
   (( segid "   A" and resid 27   and name  HA  ))
   (( segid "   A" and resid 27   and name  HN  ))
      4.012     2.006     2.006 peak  1602 weight  1.00000E+00 volume  2.19607E+05 ppm1      4.815 ppm2      8.919

 ASSI { 1603}
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 27   and name  HB2 ))
      4.111     2.055     2.055 peak  1603 weight  1.00000E+00 volume  7.77275E+03 ppm1      2.969 ppm2      8.921

 ASSI { 1604}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 27   and name  HB2 ))
      6.636     3.318     1.364 peak  1604 weight  1.00000E+00 volume  2.22464E+04 ppm1      2.965 ppm2      8.839

 ASSI { 1605}
   (( segid "   A" and resid 27   and name  HA  ))
   (( segid "   A" and resid 27   and name  HB2 ))
      3.795     1.898     1.898 peak  1605 weight  1.00000E+00 volume  4.00889E+04 ppm1      2.961 ppm2      4.834

 ASSI { 1606}
   (  segid "   A" and resid 35   and name  HB# )
   (( segid "   A" and resid 28   and name  HA  ))
      5.917     2.958     2.083 peak  1606 weight  1.00000E+00 volume  1.68062E+03 ppm1      3.941 ppm2      1.450

 ASSI { 1607}
   (( segid "   A" and resid 28   and name  HA  ))
   (( segid "   A" and resid 27   and name  HB2 ))
      5.253     2.626     2.626 peak  1607 weight  1.00000E+00 volume  4.35761E+04 ppm1      3.936 ppm2      2.971

 ASSI { 1608}
   (( segid "   A" and resid 27   and name  HA  ))
   (( segid "   A" and resid 28   and name  HA  ))
      3.509     1.755     1.755 peak  1608 weight  1.00000E+00 volume  4.90202E+05 ppm1      3.939 ppm2      4.812

 ASSI { 1610}
   (( segid "   A" and resid 36   and name  HN  ))
   (( segid "   A" and resid 28   and name  HA  ))
      6.887     3.444     1.113 peak  1610 weight  1.00000E+00 volume  4.55375E+03 ppm1      3.929 ppm2      8.608

 ASSI { 1611}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 28   and name  HA  ))
      3.739     1.869     1.869 peak  1611 weight  1.00000E+00 volume  3.35104E+05 ppm1      3.935 ppm2      8.839

 ASSI { 1612}
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 28   and name  HB  ))
      5.736     2.868     2.264 peak  1612 weight  1.00000E+00 volume  2.56922E+04 ppm1      2.081 ppm2      8.884

 ASSI { 1613}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 28   and name  HB  ))
      4.394     2.197     2.197 peak  1613 weight  1.00000E+00 volume  -1.27219E+05 ppm1      2.083 ppm2      8.837

 ASSI { 1614}
   (( segid "   A" and resid 28   and name  HB  ))
   (( segid "   A" and resid 29   and name  HN  ))
      4.183     2.091     2.091 peak  1614 weight  1.00000E+00 volume  1.70957E+05 ppm1      2.072 ppm2      8.449

 ASSI { 1615}
   (( segid "   A" and resid 27   and name  HA  ))
   (( segid "   A" and resid 28   and name  HB  ))
      3.802     1.901     1.901 peak  1615 weight  1.00000E+00 volume  3.03316E+05 ppm1      2.078 ppm2      4.815

 ASSI { 1616}
   (( segid "   A" and resid 28   and name  HA  ))
   (( segid "   A" and resid 28   and name  HB  ))
      3.696     1.848     1.848 peak  1616 weight  1.00000E+00 volume  3.58989E+05 ppm1      2.077 ppm2      3.966

 ASSI { 1617}
   (( segid "   A" and resid 36   and name  HB2 ))
   (( segid "   A" and resid 28   and name  HB  ))
      3.745     1.872     1.872 peak  1617 weight  1.00000E+00 volume  -3.32012E+05 ppm1      2.066 ppm2      3.022

 ASSI { 1619}
   (  segid "   A" and resid 28   and name  HG1#)
   (( segid "   A" and resid 28   and name  HB  ))
      3.406     1.686     1.703 peak  1619 weight  1.00000E+00 volume  2.07162E+03 ppm1      2.081 ppm2      0.583

 ASSI { 1622}
   (  segid "   A" and resid 28   and name  HG1#)
   (( segid "   A" and resid 28   and name  HB  ))
      3.990     1.995     1.995 peak  1622 weight  1.00000E+00 volume  2.26893E+05 ppm1      0.581 ppm2      2.081

 ASSI { 1624}
   (( segid "   A" and resid 28   and name  HA  ))
   (  segid "   A" and resid 28   and name  HG1#)
      2.927     1.207     1.463 peak  1624 weight  1.00000E+00 volume  6.93869E+04 ppm1      0.581 ppm2      3.943

 ASSI { 1626}
   (( segid "   A" and resid 37   and name  HA  ))
   (  segid "   A" and resid 28   and name  HG1#)
      2.587     0.867     1.294 peak  1626 weight  1.00000E+00 volume  3.05365E+06 ppm1      0.580 ppm2      4.816

 ASSI { 1627}
   (( segid "   A" and resid 37   and name  HA  ))
   (  segid "   A" and resid 28   and name  HG1#)
      2.622     0.902     1.311 peak  1627 weight  1.00000E+00 volume  2.81675E+06 ppm1      0.580 ppm2      4.833

 ASSI { 1630}
   (  segid "   A" and resid 36   and name  HD# )
   (  segid "   A" and resid 28   and name  HG1#)
      2.745     1.025     1.373 peak  1630 weight  1.00000E+00 volume  2.13818E+06 ppm1      0.581 ppm2      7.065

 ASSI { 1631}
   (( segid "   A" and resid 36   and name  HN  ))
   (  segid "   A" and resid 28   and name  HG1#)
      3.480     1.740     1.740 peak  1631 weight  1.00000E+00 volume  5.15336E+05 ppm1      0.580 ppm2      8.638

 ASSI { 1632}
   (( segid "   A" and resid 28   and name  HN  ))
   (  segid "   A" and resid 28   and name  HG1#)
      2.845     1.125     1.423 peak  1632 weight  1.00000E+00 volume  1.72651E+06 ppm1      0.580 ppm2      8.839

 ASSI { 1633}
   (( segid "   A" and resid 38   and name  HN  ))
   (  segid "   A" and resid 28   and name  HG1#)
      2.720     1.000     1.360 peak  1633 weight  1.00000E+00 volume  2.26013E+06 ppm1      0.580 ppm2      8.880

 ASSI { 1634}
   (( segid "   A" and resid 37   and name  HN  ))
   (  segid "   A" and resid 28   and name  HG1#)
      4.231     2.116     2.116 peak  1634 weight  1.00000E+00 volume  1.51804E+04 ppm1      0.581 ppm2      9.300

 ASSI { 1637}
   (  segid "   A" and resid 35   and name  HB# )
   (( segid "   A" and resid 34   and name  HB2 ))
      4.104     2.052     2.052 peak  1637 weight  1.00000E+00 volume  1.37278E+04 ppm1      3.842 ppm2      1.433

 ASSI { 1638}
   (  segid "   A" and resid 56   and name  HB# )
   (( segid "   A" and resid 34   and name  HB2 ))
      5.128     2.564     2.564 peak  1638 weight  1.00000E+00 volume  1.25111E+04 ppm1      3.854 ppm2      1.301

 ASSI { 1639}
   (( segid "   A" and resid 35   and name  HA  ))
   (  segid "   A" and resid 28   and name  HG1#)
      4.681     2.340     2.340 peak  1639 weight  1.00000E+00 volume  8.69188E+03 ppm1      4.725 ppm2      0.577

 ASSI { 1640}
   (  segid "   A" and resid 56   and name  HB# )
   (( segid "   A" and resid 35   and name  HA  ))
      3.835     1.917     1.917 peak  1640 weight  1.00000E+00 volume  2.18592E+04 ppm1      4.741 ppm2      1.294

 ASSI { 1641}
   (  segid "   A" and resid 35   and name  HB# )
   (( segid "   A" and resid 35   and name  HA  ))
      3.168     1.448     1.584 peak  1641 weight  1.00000E+00 volume  9.05905E+05 ppm1      4.735 ppm2      1.434

 ASSI { 1642}
   (( segid "   A" and resid 36   and name  HB2 ))
   (( segid "   A" and resid 35   and name  HA  ))
      3.849     1.924     1.924 peak  1642 weight  1.00000E+00 volume  2.81759E+05 ppm1      4.731 ppm2      3.027

 ASSI { 1643}
   (( segid "   A" and resid 35   and name  HA  ))
   (( segid "   A" and resid 34   and name  HB2 ))
      3.982     1.991     1.991 peak  1643 weight  1.00000E+00 volume  2.29753E+05 ppm1      4.722 ppm2      3.853

 ASSI { 1644}
   (  segid "   A" and resid 36   and name  HD# )
   (( segid "   A" and resid 35   and name  HA  ))
      3.440     1.720     1.720 peak  1644 weight  1.00000E+00 volume  5.52338E+05 ppm1      4.738 ppm2      7.058

 ASSI { 1645}
   (( segid "   A" and resid 36   and name  HN  ))
   (( segid "   A" and resid 35   and name  HA  ))
      3.572     1.786     1.786 peak  1645 weight  1.00000E+00 volume  4.40724E+05 ppm1      4.733 ppm2      8.632

 ASSI { 1646}
   (( segid "   A" and resid 28   and name  HN  ))
   (  segid "   A" and resid 35   and name  HB# )
      5.817     2.909     2.183 peak  1646 weight  1.00000E+00 volume  -2.36260E+04 ppm1      1.433 ppm2      8.839

 ASSI { 1647}
   (( segid "   A" and resid 36   and name  HN  ))
   (  segid "   A" and resid 35   and name  HB# )
      2.772     1.052     1.386 peak  1647 weight  1.00000E+00 volume  2.02007E+06 ppm1      1.439 ppm2      8.632

 ASSI { 1648}
   (  segid "   A" and resid 35   and name  HB# )
   (( segid "   A" and resid 29   and name  HN  ))
      5.004     2.502     2.502 peak  1648 weight  1.00000E+00 volume  -5.82904E+04 ppm1      1.449 ppm2      8.452

 ASSI { 1649}
   (  segid "   A" and resid 35   and name  HB# )
   (( segid "   A" and resid 35   and name  HN  ))
      3.653     1.826     1.826 peak  1649 weight  1.00000E+00 volume  3.85539E+05 ppm1      1.451 ppm2      8.324

 ASSI { 1651}
   (  segid "   A" and resid 36   and name  HD# )
   (  segid "   A" and resid 35   and name  HB# )
      3.823     1.911     1.911 peak  1651 weight  1.00000E+00 volume  2.93313E+05 ppm1      1.443 ppm2      7.065

 ASSI { 1652}
   (( segid "   A" and resid 36   and name  HA  ))
   (  segid "   A" and resid 35   and name  HB# )
      4.559     2.279     2.279 peak  1652 weight  1.00000E+00 volume  1.01968E+05 ppm1      1.442 ppm2      5.177

 ASSI { 1655}
   (  segid "   A" and resid 35   and name  HB# )
   (( segid "   A" and resid 35   and name  HA  ))
      2.120     0.400     1.060 peak  1655 weight  1.00000E+00 volume  1.00914E+07 ppm1      1.442 ppm2      4.717

 ASSI { 1656}
   (  segid "   A" and resid 35   and name  HB# )
   (( segid "   A" and resid 28   and name  HA  ))
      6.103     3.052     1.897 peak  1656 weight  1.00000E+00 volume  1.77124E+04 ppm1      1.448 ppm2      3.944

 ASSI { 1657}
   (  segid "   A" and resid 35   and name  HB# )
   (( segid "   A" and resid 34   and name  HB2 ))
      5.266     2.633     2.633 peak  1657 weight  1.00000E+00 volume  -4.29132E+04 ppm1      1.446 ppm2      3.857

 ASSI { 1658}
   (( segid "   A" and resid 36   and name  HB2 ))
   (  segid "   A" and resid 35   and name  HB# )
      4.314     2.157     2.157 peak  1658 weight  1.00000E+00 volume  1.42015E+05 ppm1      1.447 ppm2      3.022

 ASSI { 1659}
   (  segid "   A" and resid 35   and name  HB# )
   (( segid "   A" and resid 27   and name  HB2 ))
      4.154     2.077     2.077 peak  1659 weight  1.00000E+00 volume  2.74000E+03 ppm1      1.450 ppm2      2.964

 ASSI { 1665}
   (  segid "   A" and resid 19   and name  HD1#)
   (( segid "   A" and resid 116  and name  HB2 ))
      4.128     2.064     2.064 peak  1665 weight  1.00000E+00 volume  -1.85127E+05 ppm1      0.752 ppm2      2.901

 ASSI { 1666}
   (( segid "   A" and resid 36   and name  HA  ))
   (  segid "   A" and resid 56   and name  HB# )
      4.851     2.425     2.425 peak  1666 weight  1.00000E+00 volume  1.08035E+04 ppm1      5.174 ppm2      1.295

 ASSI { 1667}
   (( segid "   A" and resid 36   and name  HA  ))
   (  segid "   A" and resid 35   and name  HB# )
      4.174     2.087     2.087 peak  1667 weight  1.00000E+00 volume  8.96438E+03 ppm1      5.175 ppm2      1.441

 ASSI { 1668}
   (( segid "   A" and resid 36   and name  HA  ))
   (( segid "   A" and resid 37   and name  HB  ))
      3.383     1.663     1.692 peak  1668 weight  1.00000E+00 volume  2.41784E+04 ppm1      5.176 ppm2      1.668

 ASSI { 1669}
   (( segid "   A" and resid 36   and name  HA  ))
   (( segid "   A" and resid 55   and name  HA  ))
      2.743     1.023     1.371 peak  1669 weight  1.00000E+00 volume  1.16709E+05 ppm1      5.173 ppm2      4.394

 ASSI { 1671}
   (( segid "   A" and resid 36   and name  HA  ))
   (( segid "   A" and resid 37   and name  HA  ))
      3.357     1.637     1.679 peak  1671 weight  1.00000E+00 volume  4.25261E+04 ppm1      5.175 ppm2      4.831

 ASSI { 1672}
   (( segid "   A" and resid 36   and name  HN  ))
   (( segid "   A" and resid 36   and name  HA  ))
      3.091     1.371     1.546 peak  1672 weight  1.00000E+00 volume  4.30998E+04 ppm1      5.176 ppm2      8.632

 ASSI { 1673}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 36   and name  HA  ))
      4.017     2.008     2.008 peak  1673 weight  1.00000E+00 volume  8.21425E+03 ppm1      5.175 ppm2      8.836

 ASSI { 1674}
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 36   and name  HB2 ))
      3.738     1.869     1.869 peak  1674 weight  1.00000E+00 volume  3.11932E+04 ppm1      3.021 ppm2      9.300

 ASSI { 1675}
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 36   and name  HB2 ))
      5.085     2.543     2.543 peak  1675 weight  1.00000E+00 volume  1.90962E+04 ppm1      3.006 ppm2      9.054

 ASSI { 1676}
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 36   and name  HB2 ))
      6.192     3.096     1.808 peak  1676 weight  1.00000E+00 volume  5.03775E+03 ppm1      3.020 ppm2      8.875

 ASSI { 1677}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 36   and name  HB2 ))
      6.091     3.046     1.909 peak  1677 weight  1.00000E+00 volume  1.79248E+04 ppm1      3.021 ppm2      8.840

 ASSI { 1678}
   (( segid "   A" and resid 36   and name  HN  ))
   (( segid "   A" and resid 36   and name  HB2 ))
      3.938     1.969     1.969 peak  1678 weight  1.00000E+00 volume  1.41922E+04 ppm1      3.021 ppm2      8.635

 ASSI { 1680}
   (( segid "   A" and resid 37   and name  HA  ))
   (( segid "   A" and resid 36   and name  HB2 ))
      3.884     1.942     1.942 peak  1680 weight  1.00000E+00 volume  2.66696E+05 ppm1      3.019 ppm2      4.833

 ASSI { 1681}
   (( segid "   A" and resid 55   and name  HA  ))
   (( segid "   A" and resid 36   and name  HB2 ))
      4.088     2.044     2.044 peak  1681 weight  1.00000E+00 volume  1.96049E+05 ppm1      3.015 ppm2      4.397

 ASSI { 1684}
   (( segid "   A" and resid 36   and name  HB2 ))
   (  segid "   A" and resid 28   and name  HG1#)
      4.256     2.128     2.128 peak  1684 weight  1.00000E+00 volume  1.54116E+05 ppm1      3.020 ppm2      0.568

 ASSI { 1685}
   (( segid "   A" and resid 36   and name  HB2 ))
   (  segid "   A" and resid 28   and name  HG1#)
      4.256     2.128     2.128 peak  1685 weight  1.00000E+00 volume  1.54116E+05 ppm1      3.020 ppm2      0.577

 ASSI { 1686}
   (( segid "   A" and resid 37   and name  HA  ))
   (  segid "   A" and resid 28   and name  HG1#)
      2.867     1.147     1.433 peak  1686 weight  1.00000E+00 volume  1.64915E+06 ppm1      4.833 ppm2      0.581

 ASSI { 1687}
   (( segid "   A" and resid 37   and name  HA  ))
   (  segid "   A" and resid 35   and name  HB# )
      4.280     2.140     2.140 peak  1687 weight  1.00000E+00 volume  1.48868E+05 ppm1      4.839 ppm2      1.439

 ASSI { 1688}
   (( segid "   A" and resid 37   and name  HA  ))
   (( segid "   A" and resid 37   and name  HB  ))
      3.490     1.745     1.745 peak  1688 weight  1.00000E+00 volume  5.06268E+05 ppm1      4.833 ppm2      1.670

 ASSI { 1689}
   (( segid "   A" and resid 37   and name  HA  ))
   (( segid "   A" and resid 37   and name  HB  ))
      3.463     1.731     1.731 peak  1689 weight  1.00000E+00 volume  5.31255E+05 ppm1      4.832 ppm2      1.693

 ASSI { 1691}
   (( segid "   A" and resid 37   and name  HA  ))
   (( segid "   A" and resid 27   and name  HB2 ))
      3.817     1.908     1.908 peak  1691 weight  1.00000E+00 volume  2.96111E+05 ppm1      4.832 ppm2      2.963

 ASSI { 1692}
   (( segid "   A" and resid 37   and name  HA  ))
   (( segid "   A" and resid 36   and name  HB2 ))
      3.841     1.920     1.920 peak  1692 weight  1.00000E+00 volume  1.99456E+04 ppm1      4.835 ppm2      2.983

 ASSI { 1693}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 37   and name  HA  ))
      3.944     1.972     1.972 peak  1693 weight  1.00000E+00 volume  9.19162E+03 ppm1      4.835 ppm2      8.719

 ASSI { 1694}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 37   and name  HA  ))
      3.121     1.401     1.561 peak  1694 weight  1.00000E+00 volume  4.85934E+04 ppm1      4.835 ppm2      8.835

 ASSI { 1696}
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 37   and name  HA  ))
      4.339     2.170     2.170 peak  1696 weight  1.00000E+00 volume  6.77625E+03 ppm1      4.830 ppm2      9.051

 ASSI { 1697}
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 37   and name  HA  ))
      3.989     1.994     1.994 peak  1697 weight  1.00000E+00 volume  2.27269E+05 ppm1      4.837 ppm2      9.313

 ASSI { 1698}
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 37   and name  HB  ))
      4.055     2.027     2.027 peak  1698 weight  1.00000E+00 volume  2.05989E+05 ppm1      1.669 ppm2      9.057

 ASSI { 1699}
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 37   and name  HB  ))
      3.801     1.901     1.901 peak  1699 weight  1.00000E+00 volume  3.03438E+05 ppm1      1.667 ppm2      8.881

 ASSI { 1700}
   (  segid "   A" and resid 7    and name  HD# )
   (( segid "   A" and resid 37   and name  HB  ))
      7.115     3.557     0.885 peak  1700 weight  1.00000E+00 volume  7.05775E+03 ppm1      1.675 ppm2      6.733

 ASSI { 1701}
   (( segid "   A" and resid 36   and name  HA  ))
   (( segid "   A" and resid 37   and name  HB  ))
      3.683     1.842     1.842 peak  1701 weight  1.00000E+00 volume  2.55894E+04 ppm1      1.672 ppm2      5.174

 ASSI { 1702}
   (( segid "   A" and resid 38   and name  HA  ))
   (( segid "   A" and resid 37   and name  HB  ))
      3.519     1.760     1.760 peak  1702 weight  1.00000E+00 volume  1.92266E+04 ppm1      1.668 ppm2      4.906

 ASSI { 1703}
   (( segid "   A" and resid 37   and name  HA  ))
   (( segid "   A" and resid 37   and name  HB  ))
      3.245     1.525     1.622 peak  1703 weight  1.00000E+00 volume  3.22942E+04 ppm1      1.670 ppm2      4.834

 ASSI { 1706}
   (  segid "   A" and resid 37   and name  HG1#)
   (( segid "   A" and resid 37   and name  HB  ))
      2.282     0.562     1.141 peak  1706 weight  1.00000E+00 volume  6.49070E+06 ppm1      1.668 ppm2      0.568

 ASSI { 1707}
   (  segid "   A" and resid 4    and name  HG2#)
   (( segid "   A" and resid 37   and name  HB  ))
      5.556     2.778     2.444 peak  1707 weight  1.00000E+00 volume  6.37875E+03 ppm1      1.661 ppm2      0.214

 ASSI { 1708}
   (  segid "   A" and resid 54   and name  HD# )
   (( segid "   A" and resid 38   and name  HA  ))
      3.932     1.966     1.966 peak  1708 weight  1.00000E+00 volume  1.13076E+04 ppm1      4.901 ppm2      7.044

 ASSI { 1709}
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 38   and name  HA  ))
      3.416     1.696     1.708 peak  1709 weight  1.00000E+00 volume  2.29638E+04 ppm1      4.910 ppm2      8.878

 ASSI { 1710}
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 38   and name  HA  ))
      3.039     1.319     1.520 peak  1710 weight  1.00000E+00 volume  1.16177E+06 ppm1      4.906 ppm2      9.050

 ASSI { 1711}
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 38   and name  HA  ))
      4.972     2.486     2.486 peak  1711 weight  1.00000E+00 volume  6.06041E+04 ppm1      4.893 ppm2      9.306

 ASSI { 1713}
   (( segid "   A" and resid 38   and name  HA  ))
   (( segid "   A" and resid 38   and name  HB1 ))
      3.306     1.586     1.653 peak  1713 weight  1.00000E+00 volume  7.01538E+05 ppm1      4.894 ppm2      1.667

 ASSI { 1715}
   (( segid "   A" and resid 38   and name  HB1 ))
   (  segid "   A" and resid 28   and name  HG1#)
      3.334     1.614     1.667 peak  1715 weight  1.00000E+00 volume  3.69210E+04 ppm1      1.697 ppm2      0.582

 ASSI { 1718}
   (( segid "   A" and resid 37   and name  HA  ))
   (( segid "   A" and resid 38   and name  HB1 ))
      3.680     1.840     1.840 peak  1718 weight  1.00000E+00 volume  3.68711E+05 ppm1      1.693 ppm2      4.836

 ASSI { 1719}
   (( segid "   A" and resid 38   and name  HA  ))
   (( segid "   A" and resid 38   and name  HB1 ))
      3.570     1.785     1.785 peak  1719 weight  1.00000E+00 volume  2.68936E+04 ppm1      1.692 ppm2      4.906

 ASSI { 1720}
   (( segid "   A" and resid 38   and name  HA  ))
   (( segid "   A" and resid 38   and name  HB2 ))
      3.051     1.331     1.526 peak  1720 weight  1.00000E+00 volume  1.13486E+06 ppm1      1.895 ppm2      4.905

 ASSI { 1721}
   (( segid "   A" and resid 53   and name  HA  ))
   (( segid "   A" and resid 38   and name  HB1 ))
      4.012     2.006     2.006 peak  1721 weight  1.00000E+00 volume  2.19513E+05 ppm1      1.694 ppm2      5.187

 ASSI { 1722}
   (( segid "   A" and resid 53   and name  HA  ))
   (( segid "   A" and resid 38   and name  HB1 ))
      4.378     2.189     2.189 peak  1722 weight  1.00000E+00 volume  1.30014E+05 ppm1      1.694 ppm2      5.206

 ASSI { 1724}
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 38   and name  HB1 ))
      3.677     1.838     1.838 peak  1724 weight  1.00000E+00 volume  3.70560E+05 ppm1      1.692 ppm2      8.841

 ASSI { 1725}
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 38   and name  HB1 ))
      3.480     1.740     1.740 peak  1725 weight  1.00000E+00 volume  5.15466E+05 ppm1      1.692 ppm2      8.880

 ASSI { 1726}
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 38   and name  HB1 ))
      3.974     1.987     1.987 peak  1726 weight  1.00000E+00 volume  2.32405E+05 ppm1      1.690 ppm2      8.987

 ASSI { 1727}
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 39   and name  HA  ))
      3.598     1.799     1.799 peak  1727 weight  1.00000E+00 volume  2.49940E+04 ppm1      5.372 ppm2      8.987

 ASSI { 1728}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 39   and name  HA  ))
      3.639     1.820     1.820 peak  1728 weight  1.00000E+00 volume  2.21194E+04 ppm1      5.375 ppm2      8.716

 ASSI { 1729}
   (( segid "   A" and resid 39   and name  HA  ))
   (( segid "   A" and resid 25   and name  HN  ))
      5.817     2.909     2.183 peak  1729 weight  1.00000E+00 volume  6.13800E+03 ppm1      5.398 ppm2      8.147

 ASSI { 1730}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 39   and name  HA  ))
      4.278     2.139     2.139 peak  1730 weight  1.00000E+00 volume  5.61125E+03 ppm1      5.383 ppm2      7.996

 ASSI { 1731}
   (( segid "   A" and resid 39   and name  HA  ))
   (( segid "   A" and resid 25   and name  HA  ))
      2.962     1.242     1.481 peak  1731 weight  1.00000E+00 volume  1.35430E+06 ppm1      5.380 ppm2      5.451

 ASSI { 1732}
   (( segid "   A" and resid 39   and name  HA  ))
   (( segid "   A" and resid 38   and name  HA  ))
      4.435     2.217     2.217 peak  1732 weight  1.00000E+00 volume  1.20313E+05 ppm1      5.382 ppm2      4.909

 ASSI { 1733}
   (( segid "   A" and resid 39   and name  HA  ))
   (( segid "   A" and resid 40   and name  HA  ))
      3.322     1.602     1.661 peak  1733 weight  1.00000E+00 volume  1.98992E+04 ppm1      5.383 ppm2      4.750

 ASSI { 1734}
   (( segid "   A" and resid 39   and name  HA  ))
   (( segid "   A" and resid 25   and name  HB2 ))
      4.304     2.152     2.152 peak  1734 weight  1.00000E+00 volume  7.27125E+03 ppm1      5.387 ppm2      3.182

 ASSI { 1735}
   (( segid "   A" and resid 39   and name  HA  ))
   (( segid "   A" and resid 38   and name  HB2 ))
      4.109     2.054     2.054 peak  1735 weight  1.00000E+00 volume  8.94788E+03 ppm1      5.382 ppm2      1.898

 ASSI { 1736}
   (( segid "   A" and resid 39   and name  HA  ))
   (( segid "   A" and resid 40   and name  HB2 ))
      4.002     2.001     2.001 peak  1736 weight  1.00000E+00 volume  1.92356E+04 ppm1      5.386 ppm2      1.595

 ASSI { 1737}
   (( segid "   A" and resid 39   and name  HA  ))
   (  segid "   A" and resid 22   and name  HG1#)
      3.547     1.774     1.774 peak  1737 weight  1.00000E+00 volume  2.03041E+04 ppm1      5.385 ppm2      0.700

 ASSI { 1738}
   (( segid "   A" and resid 39   and name  HA  ))
   (  segid "   A" and resid 37   and name  HG1#)
      4.308     2.154     2.154 peak  1738 weight  1.00000E+00 volume  9.05638E+03 ppm1      5.383 ppm2      0.570

 ASSI { 1739}
   (( segid "   A" and resid 39   and name  HB2 ))
   (  segid "   A" and resid 37   and name  HG1#)
      3.392     1.672     1.696 peak  1739 weight  1.00000E+00 volume  3.58509E+04 ppm1      3.913 ppm2      0.570

 ASSI { 1740}
   (( segid "   A" and resid 39   and name  HB2 ))
   (  segid "   A" and resid 22   and name  HG1#)
      3.239     1.519     1.620 peak  1740 weight  1.00000E+00 volume  4.58080E+04 ppm1      3.915 ppm2      0.704

 ASSI { 1741}
   (( segid "   A" and resid 39   and name  HB2 ))
   (  segid "   A" and resid 41   and name  HD1#)
      3.834     1.917     1.917 peak  1741 weight  1.00000E+00 volume  1.63329E+04 ppm1      3.918 ppm2      0.792

 ASSI { 1743}
   (( segid "   A" and resid 39   and name  HB2 ))
   (( segid "   A" and resid 25   and name  HB2 ))
      3.686     1.843     1.843 peak  1743 weight  1.00000E+00 volume  3.65022E+05 ppm1      3.908 ppm2      3.185

 ASSI { 1747}
   (( segid "   A" and resid 39   and name  HB2 ))
   (( segid "   A" and resid 25   and name  HA  ))
      3.471     1.735     1.735 peak  1747 weight  1.00000E+00 volume  5.23677E+05 ppm1      3.914 ppm2      5.449

 ASSI { 1748}
   (( segid "   A" and resid 39   and name  HB2 ))
   (  segid "   A" and resid 7    and name  HE# )
      4.003     2.002     2.002 peak  1748 weight  1.00000E+00 volume  9.10688E+03 ppm1      3.911 ppm2      6.579

 ASSI { 1749}
   (  segid "   A" and resid 54   and name  HD# )
   (( segid "   A" and resid 39   and name  HB2 ))
      4.950     2.475     2.475 peak  1749 weight  1.00000E+00 volume  1.12979E+04 ppm1      3.911 ppm2      7.040

 ASSI { 1753}
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 40   and name  HA  ))
      3.830     1.915     1.915 peak  1753 weight  1.00000E+00 volume  2.89941E+05 ppm1      4.755 ppm2      9.010

 ASSI { 1754}
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 40   and name  HA  ))
      3.704     1.852     1.852 peak  1754 weight  1.00000E+00 volume  3.54424E+05 ppm1      4.748 ppm2      8.604

 ASSI { 1755}
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 40   and name  HA  ))
      3.515     1.757     1.757 peak  1755 weight  1.00000E+00 volume  4.85749E+05 ppm1      4.746 ppm2      8.555

 ASSI { 1756}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 40   and name  HA  ))
      3.593     1.797     1.797 peak  1756 weight  1.00000E+00 volume  4.25339E+05 ppm1      4.750 ppm2      8.596

 ASSI { 1757}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 40   and name  HA  ))
      4.765     2.383     2.383 peak  1757 weight  1.00000E+00 volume  7.82018E+04 ppm1      4.743 ppm2      7.999

 ASSI { 1759}
   (( segid "   A" and resid 41   and name  HA  ))
   (( segid "   A" and resid 40   and name  HA  ))
      3.981     1.990     1.990 peak  1759 weight  1.00000E+00 volume  -2.30040E+05 ppm1      4.744 ppm2      5.338

 ASSI { 1761}
   (( segid "   A" and resid 51   and name  HA  ))
   (( segid "   A" and resid 40   and name  HA  ))
      3.735     1.867     1.867 peak  1761 weight  1.00000E+00 volume  -3.37355E+05 ppm1      4.746 ppm2      5.185

 ASSI { 1764}
   (( segid "   A" and resid 51   and name  HB1 ))
   (( segid "   A" and resid 40   and name  HA  ))
      3.647     1.823     1.823 peak  1764 weight  1.00000E+00 volume  2.82038E+04 ppm1      4.745 ppm2      1.890

 ASSI { 1765}
   (( segid "   A" and resid 51   and name  HB2 ))
   (( segid "   A" and resid 40   and name  HA  ))
      3.249     1.529     1.624 peak  1765 weight  1.00000E+00 volume  3.26710E+04 ppm1      4.745 ppm2      1.739

 ASSI { 1766}
   (( segid "   A" and resid 40   and name  HA  ))
   (( segid "   A" and resid 40   and name  HB2 ))
      4.013     2.007     2.007 peak  1766 weight  1.00000E+00 volume  4.65462E+03 ppm1      4.746 ppm2      1.586

 ASSI { 1767}
   (( segid "   A" and resid 40   and name  HA  ))
   (  segid "   A" and resid 41   and name  HD1#)
      3.586     1.793     1.793 peak  1767 weight  1.00000E+00 volume  4.30722E+05 ppm1      4.752 ppm2      0.792

 ASSI { 1770}
   (( segid "   A" and resid 40   and name  HB2 ))
   (( segid "   A" and resid 24   and name  HB2 ))
      4.854     2.427     2.427 peak  1770 weight  1.00000E+00 volume  7.00111E+04 ppm1      1.593 ppm2      2.796

 ASSI { 1771}
   (( segid "   A" and resid 40   and name  HA  ))
   (( segid "   A" and resid 40   and name  HB2 ))
      2.909     1.189     1.455 peak  1771 weight  1.00000E+00 volume  7.19252E+04 ppm1      1.595 ppm2      4.745

 ASSI { 1773}
   (( segid "   A" and resid 51   and name  HA  ))
   (( segid "   A" and resid 40   and name  HB2 ))
      4.082     2.041     2.041 peak  1773 weight  1.00000E+00 volume  3.73625E+02 ppm1      1.594 ppm2      5.184

 ASSI { 1775}
   (( segid "   A" and resid 39   and name  HA  ))
   (( segid "   A" and resid 40   and name  HB2 ))
      3.679     1.839     1.839 peak  1775 weight  1.00000E+00 volume  3.69306E+05 ppm1      1.595 ppm2      5.387

 ASSI { 1776}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 40   and name  HB2 ))
      3.840     1.920     1.920 peak  1776 weight  1.00000E+00 volume  2.85444E+05 ppm1      1.595 ppm2      7.998

 ASSI { 1777}
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 40   and name  HB2 ))
      3.710     1.855     1.855 peak  1777 weight  1.00000E+00 volume  3.51032E+05 ppm1      1.593 ppm2      9.012

 ASSI { 1778}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 40   and name  HB2 ))
      3.619     1.810     1.810 peak  1778 weight  1.00000E+00 volume  4.07175E+05 ppm1      1.593 ppm2      9.090

 ASSI { 1781}
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 41   and name  HA  ))
      3.513     1.756     1.756 peak  1781 weight  1.00000E+00 volume  4.87113E+05 ppm1      5.328 ppm2      9.014

 ASSI { 1783}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 41   and name  HA  ))
      8.000     4.000     0.000 peak  1783 weight  1.00000E+00 volume  -8.22500E+02 ppm1      5.326 ppm2      8.599

 ASSI { 1784}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 41   and name  HA  ))
      4.803     2.401     2.401 peak  1784 weight  1.00000E+00 volume  7.46066E+04 ppm1      5.328 ppm2      7.998

 ASSI { 1785}
   (( segid "   A" and resid 41   and name  HA  ))
   (( segid "   A" and resid 40   and name  HA  ))
      3.398     1.678     1.699 peak  1785 weight  1.00000E+00 volume  5.95189E+05 ppm1      5.329 ppm2      4.747

 ASSI { 1787}
   (( segid "   A" and resid 41   and name  HA  ))
   (( segid "   A" and resid 22   and name  HA  ))
      3.866     1.933     1.933 peak  1787 weight  1.00000E+00 volume  2.20726E+04 ppm1      5.328 ppm2      3.994

 ASSI { 1788}
   (( segid "   A" and resid 41   and name  HA  ))
   (( segid "   A" and resid 23   and name  HB  ))
      6.901     3.451     1.099 peak  1788 weight  1.00000E+00 volume  4.08550E+03 ppm1      5.327 ppm2      1.916

 ASSI { 1789}
   (( segid "   A" and resid 41   and name  HA  ))
   (( segid "   A" and resid 42   and name  HB2 ))
      4.147     2.074     2.074 peak  1789 weight  1.00000E+00 volume  1.79938E+05 ppm1      5.328 ppm2      1.811

 ASSI { 1790}
   (( segid "   A" and resid 41   and name  HA  ))
   (( segid "   A" and resid 41   and name  HB2 ))
      3.329     1.609     1.665 peak  1790 weight  1.00000E+00 volume  6.72187E+05 ppm1      5.328 ppm2      1.595

 ASSI { 1791}
   (( segid "   A" and resid 41   and name  HA  ))
   (( segid "   A" and resid 23   and name  HG11))
      3.624     1.812     1.812 peak  1791 weight  1.00000E+00 volume  4.04392E+05 ppm1      5.328 ppm2      1.365

 ASSI { 1792}
   (( segid "   A" and resid 41   and name  HA  ))
   (( segid "   A" and resid 23   and name  HG12))
      3.812     1.906     1.906 peak  1792 weight  1.00000E+00 volume  2.98561E+05 ppm1      5.328 ppm2      1.259

 ASSI { 1793}
   (( segid "   A" and resid 41   and name  HA  ))
   (  segid "   A" and resid 41   and name  HD1#)
      3.420     1.700     1.710 peak  1793 weight  1.00000E+00 volume  5.72166E+05 ppm1      5.329 ppm2      0.836

 ASSI { 1794}
   (( segid "   A" and resid 41   and name  HA  ))
   (  segid "   A" and resid 41   and name  HD1#)
      3.191     1.471     1.596 peak  1794 weight  1.00000E+00 volume  8.66384E+05 ppm1      5.327 ppm2      0.791

 ASSI { 1795}
   (( segid "   A" and resid 41   and name  HA  ))
   (  segid "   A" and resid 22   and name  HG1#)
      3.097     1.377     1.549 peak  1795 weight  1.00000E+00 volume  1.03706E+06 ppm1      5.328 ppm2      0.700

 ASSI { 1796}
   (( segid "   A" and resid 41   and name  HB2 ))
   (  segid "   A" and resid 22   and name  HG2#)
      4.373     2.187     2.187 peak  1796 weight  1.00000E+00 volume  1.30878E+05 ppm1      1.583 ppm2      0.333

 ASSI { 1798}
   (( segid "   A" and resid 41   and name  HB2 ))
   (  segid "   A" and resid 41   and name  HD1#)
      3.646     1.823     1.823 peak  1798 weight  1.00000E+00 volume  2.13585E+04 ppm1      1.585 ppm2      0.790

 ASSI { 1800}
   (( segid "   A" and resid 41   and name  HB2 ))
   (( segid "   A" and resid 22   and name  HB  ))
      5.840     2.920     2.160 peak  1800 weight  1.00000E+00 volume  -2.30688E+04 ppm1      1.577 ppm2      2.166

 ASSI { 1802}
   (( segid "   A" and resid 41   and name  HB2 ))
   (( segid "   A" and resid 21   and name  HA  ))
      4.339     2.170     2.170 peak  1802 weight  1.00000E+00 volume  1.37182E+05 ppm1      1.590 ppm2      5.236

 ASSI { 1803}
   (( segid "   A" and resid 41   and name  HA  ))
   (( segid "   A" and resid 41   and name  HB2 ))
      4.041     2.021     2.021 peak  1803 weight  1.00000E+00 volume  5.91662E+03 ppm1      1.588 ppm2      5.319

 ASSI { 1804}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 41   and name  HB2 ))
      4.638     2.319     2.319 peak  1804 weight  1.00000E+00 volume  7.12550E+03 ppm1      1.581 ppm2      5.541

 ASSI { 1808}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 41   and name  HB2 ))
      4.018     2.009     2.009 peak  1808 weight  1.00000E+00 volume  9.47762E+03 ppm1      1.587 ppm2      8.918

 ASSI { 1809}
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 41   and name  HB2 ))
      3.857     1.928     1.928 peak  1809 weight  1.00000E+00 volume  1.29935E+04 ppm1      1.581 ppm2      9.013

 ASSI { 1810}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 41   and name  HB2 ))
      4.749     2.375     2.375 peak  1810 weight  1.00000E+00 volume  6.40525E+03 ppm1      1.584 ppm2      9.090

 ASSI { 1811}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 41   and name  HB2 ))
      4.300     2.150     2.150 peak  1811 weight  1.00000E+00 volume  6.05125E+03 ppm1      1.576 ppm2      9.277

 ASSI { 1812}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 41   and name  HB2 ))
      4.819     2.410     2.410 peak  1812 weight  1.00000E+00 volume  5.30925E+03 ppm1      1.598 ppm2      9.349

 ASSI { 1813}
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 42   and name  HA  ))
      3.218     1.498     1.609 peak  1813 weight  1.00000E+00 volume  2.80825E+04 ppm1      5.346 ppm2      9.288

 ASSI { 1815}
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 42   and name  HA  ))
      3.417     1.697     1.709 peak  1815 weight  1.00000E+00 volume  1.82521E+04 ppm1      5.346 ppm2      9.012

 ASSI { 1816}
   (( segid "   A" and resid 42   and name  HA  ))
   (( segid "   A" and resid 43   and name  HA  ))
      4.676     2.338     2.338 peak  1816 weight  1.00000E+00 volume  9.68812E+03 ppm1      5.348 ppm2      3.927

 ASSI { 1818}
   (( segid "   A" and resid 42   and name  HA  ))
   (( segid "   A" and resid 42   and name  HB2 ))
      3.446     1.723     1.723 peak  1818 weight  1.00000E+00 volume  5.46571E+05 ppm1      5.352 ppm2      1.808

 ASSI { 1819}
   (( segid "   A" and resid 42   and name  HA  ))
   (( segid "   A" and resid 41   and name  HB2 ))
      3.290     1.570     1.645 peak  1819 weight  1.00000E+00 volume  7.22440E+05 ppm1      5.348 ppm2      1.587

 ASSI { 1820}
   (( segid "   A" and resid 42   and name  HA  ))
   (( segid "   A" and resid 23   and name  HG12))
      3.461     1.731     1.731 peak  1820 weight  1.00000E+00 volume  2.21102E+04 ppm1      5.348 ppm2      1.259

 ASSI { 1822}
   (  segid "   A" and resid 49   and name  HD1#)
   (( segid "   A" and resid 42   and name  HB2 ))
      3.048     1.328     1.524 peak  1822 weight  1.00000E+00 volume  1.14128E+06 ppm1      1.808 ppm2      0.836

 ASSI { 1823}
   (( segid "   A" and resid 42   and name  HB2 ))
   (( segid "   A" and resid 23   and name  HG12))
      2.745     1.025     1.372 peak  1823 weight  1.00000E+00 volume  2.14036E+06 ppm1      1.809 ppm2      1.259

 ASSI { 1825}
   (( segid "   A" and resid 42   and name  HA  ))
   (( segid "   A" and resid 42   and name  HB2 ))
      4.384     2.192     2.192 peak  1825 weight  1.00000E+00 volume  1.28891E+05 ppm1      1.810 ppm2      5.346

 ASSI { 1826}
   (( segid "   A" and resid 49   and name  HA  ))
   (( segid "   A" and resid 42   and name  HB2 ))
      5.173     2.586     2.586 peak  1826 weight  1.00000E+00 volume  4.77868E+04 ppm1      1.810 ppm2      5.410

 ASSI { 1827}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 42   and name  HB2 ))
      4.982     2.491     2.491 peak  1827 weight  1.00000E+00 volume  2.86084E+04 ppm1      1.809 ppm2      9.273

 ASSI { 1828}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 42   and name  HB2 ))
      4.515     2.258     2.258 peak  1828 weight  1.00000E+00 volume  2.34620E+04 ppm1      1.810 ppm2      9.348

 ASSI { 1829}
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 43   and name  HA  ))
      3.857     1.929     1.929 peak  1829 weight  1.00000E+00 volume  1.59661E+04 ppm1      3.925 ppm2      9.729

 ASSI { 1830}
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 43   and name  HA  ))
      3.255     1.535     1.628 peak  1830 weight  1.00000E+00 volume  5.98444E+04 ppm1      3.924 ppm2      8.369

 ASSI { 1831}
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 43   and name  HA  ))
      3.496     1.748     1.748 peak  1831 weight  1.00000E+00 volume  5.01768E+05 ppm1      3.928 ppm2      8.316

 ASSI { 1832}
   (( segid "   A" and resid 45   and name  HN  ))
   (( segid "   A" and resid 43   and name  HA  ))
      4.508     2.254     2.254 peak  1832 weight  1.00000E+00 volume  9.82400E+03 ppm1      3.925 ppm2      8.205

 ASSI { 1833}
   (( segid "   A" and resid 42   and name  HA  ))
   (( segid "   A" and resid 43   and name  HA  ))
      4.192     2.096     2.096 peak  1833 weight  1.00000E+00 volume  1.37975E+04 ppm1      3.921 ppm2      5.349

 ASSI { 1835}
   (( segid "   A" and resid 43   and name  HB2 ))
   (( segid "   A" and resid 43   and name  HA  ))
      4.106     2.053     2.053 peak  1835 weight  1.00000E+00 volume  1.46168E+04 ppm1      3.921 ppm2      2.908

 ASSI { 1836}
   (( segid "   A" and resid 44   and name  HB2 ))
   (( segid "   A" and resid 43   and name  HA  ))
      3.602     1.801     1.801 peak  1836 weight  1.00000E+00 volume  2.17022E+04 ppm1      3.921 ppm2      1.470

 ASSI { 1837}
   (  segid "   A" and resid 18   and name  HB# )
   (( segid "   A" and resid 43   and name  HA  ))
      4.531     2.266     2.266 peak  1837 weight  1.00000E+00 volume  1.04010E+04 ppm1      3.922 ppm2      1.121

 ASSI { 1840}
   (  segid "   A" and resid 46   and name  HG2#)
   (( segid "   A" and resid 43   and name  HB2 ))
      4.218     2.109     2.109 peak  1840 weight  1.00000E+00 volume  1.62613E+05 ppm1      2.906 ppm2      1.063

 ASSI { 1841}
   (( segid "   A" and resid 43   and name  HB2 ))
   (  segid "   A" and resid 18   and name  HB# )
      4.412     2.206     2.206 peak  1841 weight  1.00000E+00 volume  1.24117E+05 ppm1      2.910 ppm2      1.120

 ASSI { 1842}
   (  segid "   A" and resid 48   and name  HB# )
   (( segid "   A" and resid 43   and name  HB2 ))
      3.596     1.798     1.798 peak  1842 weight  1.00000E+00 volume  4.23218E+05 ppm1      2.906 ppm2      1.400

 ASSI { 1843}
   (( segid "   A" and resid 43   and name  HB2 ))
   (( segid "   A" and resid 43   and name  HA  ))
      4.121     2.061     2.061 peak  1843 weight  1.00000E+00 volume  -1.86831E+05 ppm1      2.901 ppm2      3.923

 ASSI { 1844}
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 43   and name  HB2 ))
      6.377     3.188     1.623 peak  1844 weight  1.00000E+00 volume  1.11226E+04 ppm1      2.904 ppm2      7.296

 ASSI { 1845}
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 43   and name  HB2 ))
      5.106     2.553     2.553 peak  1845 weight  1.00000E+00 volume  8.20450E+03 ppm1      2.904 ppm2      7.530

 ASSI { 1846}
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 43   and name  HB2 ))
      6.257     3.129     1.743 peak  1846 weight  1.00000E+00 volume  -1.52524E+04 ppm1      2.904 ppm2      8.317

 ASSI { 1847}
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 43   and name  HB2 ))
      4.054     2.027     2.027 peak  1847 weight  1.00000E+00 volume  2.06154E+05 ppm1      2.906 ppm2      8.365

 ASSI { 1849}
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 44   and name  HA  ))
      3.736     1.868     1.868 peak  1849 weight  1.00000E+00 volume  2.48652E+04 ppm1      4.006 ppm2      8.316

 ASSI { 1850}
   (( segid "   A" and resid 45   and name  HN  ))
   (( segid "   A" and resid 44   and name  HA  ))
      4.640     2.320     2.320 peak  1850 weight  1.00000E+00 volume  7.27738E+03 ppm1      4.005 ppm2      8.208

 ASSI { 1852}
   (( segid "   A" and resid 44   and name  HA  ))
   (( segid "   A" and resid 44   and name  HB2 ))
      3.215     1.495     1.608 peak  1852 weight  1.00000E+00 volume  4.51962E+04 ppm1      4.000 ppm2      1.474

 ASSI { 1853}
   (( segid "   A" and resid 44   and name  HB2 ))
   (  segid "   A" and resid 19   and name  HD1#)
      2.947     1.227     1.473 peak  1853 weight  1.00000E+00 volume  5.95174E+04 ppm1      1.469 ppm2      0.716

 ASSI { 1854}
   (( segid "   A" and resid 44   and name  HB2 ))
   (  segid "   A" and resid 44   and name  HD1#)
      2.924     1.204     1.462 peak  1854 weight  1.00000E+00 volume  6.61271E+04 ppm1      1.472 ppm2      0.789

 ASSI { 1855}
   (( segid "   A" and resid 44   and name  HB2 ))
   (( segid "   A" and resid 19   and name  HB  ))
      3.155     1.435     1.577 peak  1855 weight  1.00000E+00 volume  3.78008E+04 ppm1      1.471 ppm2      1.772

 ASSI { 1856}
   (( segid "   A" and resid 44   and name  HA  ))
   (( segid "   A" and resid 44   and name  HB2 ))
      3.896     1.948     1.948 peak  1856 weight  1.00000E+00 volume  1.60884E+04 ppm1      1.458 ppm2      3.995

 ASSI { 1857}
   (( segid "   A" and resid 44   and name  HB2 ))
   (( segid "   A" and resid 19   and name  HN  ))
      4.926     2.463     2.463 peak  1857 weight  1.00000E+00 volume  5.98875E+03 ppm1      1.454 ppm2      7.517

 ASSI { 1858}
   (( segid "   A" and resid 45   and name  HN  ))
   (( segid "   A" and resid 44   and name  HB2 ))
      8.000     4.000     0.000 peak  1858 weight  1.00000E+00 volume  -2.50625E+03 ppm1      1.464 ppm2      8.211

 ASSI { 1859}
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 44   and name  HB2 ))
      4.022     2.011     2.011 peak  1859 weight  1.00000E+00 volume  2.16369E+05 ppm1      1.456 ppm2      8.361

 ASSI { 1860}
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 45   and name  HA  ))
      3.681     1.840     1.840 peak  1860 weight  1.00000E+00 volume  3.04091E+04 ppm1      4.455 ppm2      7.300

 ASSI { 1861}
   (( segid "   A" and resid 45   and name  HA  ))
   (( segid "   A" and resid 45   and name  HB2 ))
      3.013     1.293     1.507 peak  1861 weight  1.00000E+00 volume  7.94491E+04 ppm1      4.456 ppm2      1.799

 ASSI { 1862}
   (  segid "   A" and resid 46   and name  HG2#)
   (( segid "   A" and resid 45   and name  HB2 ))
      4.045     2.023     2.023 peak  1862 weight  1.00000E+00 volume  2.08926E+05 ppm1      1.796 ppm2      1.063

 ASSI { 1863}
   (( segid "   A" and resid 45   and name  HB2 ))
   (  segid "   A" and resid 18   and name  HB# )
      4.458     2.229     2.229 peak  1863 weight  1.00000E+00 volume  1.16654E+05 ppm1      1.796 ppm2      1.119

 ASSI { 1864}
   (( segid "   A" and resid 45   and name  HA  ))
   (( segid "   A" and resid 45   and name  HB2 ))
      3.069     1.349     1.535 peak  1864 weight  1.00000E+00 volume  1.09509E+06 ppm1      1.796 ppm2      4.455

 ASSI { 1866}
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 45   and name  HB2 ))
      4.112     2.056     2.056 peak  1866 weight  1.00000E+00 volume  8.93738E+03 ppm1      1.784 ppm2      7.295

 ASSI { 1867}
   (( segid "   A" and resid 45   and name  HB2 ))
   (( segid "   A" and resid 19   and name  HN  ))
      4.430     2.215     2.215 peak  1867 weight  1.00000E+00 volume  8.16375E+03 ppm1      1.790 ppm2      7.533

 ASSI { 1869}
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 46   and name  HA  ))
      4.797     2.398     2.398 peak  1869 weight  1.00000E+00 volume  7.51745E+04 ppm1      4.435 ppm2      8.316

 ASSI { 1870}
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 46   and name  HA  ))
      4.205     2.102     2.102 peak  1870 weight  1.00000E+00 volume  1.65661E+05 ppm1      4.435 ppm2      7.298

 ASSI { 1871}
   (( segid "   A" and resid 46   and name  HA  ))
   (  segid "   A" and resid 46   and name  HG2#)
      2.649     0.929     1.325 peak  1871 weight  1.00000E+00 volume  1.02127E+05 ppm1      4.433 ppm2      1.065

 ASSI { 1872}
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 46   and name  HB  ))
      4.039     2.020     2.020 peak  1872 weight  1.00000E+00 volume  1.60289E+04 ppm1      4.389 ppm2      7.298

 ASSI { 1873}
   (( segid "   A" and resid 43   and name  HN  ))
   (  segid "   A" and resid 46   and name  HG2#)
      4.339     2.169     2.169 peak  1873 weight  1.00000E+00 volume  1.37266E+05 ppm1      1.071 ppm2      9.725

 ASSI { 1874}
   (( segid "   A" and resid 47   and name  HN  ))
   (  segid "   A" and resid 46   and name  HG2#)
      3.823     1.912     1.912 peak  1874 weight  1.00000E+00 volume  7.73111E+04 ppm1      1.064 ppm2      8.318

 ASSI { 1875}
   (( segid "   A" and resid 45   and name  HN  ))
   (  segid "   A" and resid 46   and name  HG2#)
      3.506     1.753     1.753 peak  1875 weight  1.00000E+00 volume  1.65680E+04 ppm1      1.063 ppm2      8.202

 ASSI { 1876}
   (( segid "   A" and resid 48   and name  HN  ))
   (  segid "   A" and resid 46   and name  HG2#)
      3.457     1.728     1.728 peak  1876 weight  1.00000E+00 volume  2.84985E+04 ppm1      1.062 ppm2      7.524

 ASSI { 1877}
   (( segid "   A" and resid 46   and name  HN  ))
   (  segid "   A" and resid 46   and name  HG2#)
      2.830     1.110     1.415 peak  1877 weight  1.00000E+00 volume  1.52809E+05 ppm1      1.061 ppm2      7.297

 ASSI { 1878}
   (  segid "   A" and resid 46   and name  HG2#)
   (( segid "   A" and resid 46   and name  HB  ))
      2.209     0.489     1.104 peak  1878 weight  1.00000E+00 volume  4.31304E+05 ppm1      1.063 ppm2      4.439

 ASSI { 1881}
   (  segid "   A" and resid 46   and name  HG2#)
   (( segid "   A" and resid 43   and name  HB2 ))
      4.124     2.062     2.062 peak  1881 weight  1.00000E+00 volume  7.67462E+03 ppm1      1.054 ppm2      2.907

 ASSI { 1882}
   (  segid "   A" and resid 46   and name  HG2#)
   (( segid "   A" and resid 45   and name  HB2 ))
      2.836     1.116     1.418 peak  1882 weight  1.00000E+00 volume  1.20196E+05 ppm1      1.058 ppm2      1.801

 ASSI { 1883}
   (( segid "   A" and resid 47   and name  HA2 ))
   (  segid "   A" and resid 46   and name  HG2#)
      4.345     2.173     2.173 peak  1883 weight  1.00000E+00 volume  7.64725E+03 ppm1      3.633 ppm2      1.063

 ASSI { 1884}
   (( segid "   A" and resid 47   and name  HA1 ))
   (  segid "   A" and resid 46   and name  HG2#)
      4.502     2.251     2.251 peak  1884 weight  1.00000E+00 volume  9.29350E+03 ppm1      4.262 ppm2      1.062

 ASSI { 1887}
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 47   and name  HA1 ))
      4.234     2.117     2.117 peak  1887 weight  1.00000E+00 volume  1.58842E+05 ppm1      4.262 ppm2      7.521

 ASSI { 1888}
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 47   and name  HA2 ))
      4.134     2.067     2.067 peak  1888 weight  1.00000E+00 volume  1.83513E+05 ppm1      3.632 ppm2      7.520

 ASSI { 1889}
   (  segid "   A" and resid 48   and name  HB# )
   (  segid "   A" and resid 46   and name  HG2#)
      2.978     1.258     1.489 peak  1889 weight  1.00000E+00 volume  1.31363E+06 ppm1      1.402 ppm2      1.063

 ASSI { 1891}
   (  segid "   A" and resid 48   and name  HB# )
   (( segid "   A" and resid 48   and name  HA  ))
      2.315     0.595     1.158 peak  1891 weight  1.00000E+00 volume  5.94439E+06 ppm1      1.402 ppm2      4.264

 ASSI { 1892}
   (( segid "   A" and resid 48   and name  HN  ))
   (  segid "   A" and resid 48   and name  HB# )
      2.507     0.787     1.253 peak  1892 weight  1.00000E+00 volume  3.69068E+06 ppm1      1.397 ppm2      7.525

 ASSI { 1893}
   (( segid "   A" and resid 49   and name  HN  ))
   (  segid "   A" and resid 48   and name  HB# )
      2.677     0.957     1.338 peak  1893 weight  1.00000E+00 volume  2.48846E+06 ppm1      1.399 ppm2      8.424

 ASSI { 1894}
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 49   and name  HA  ))
      5.086     2.543     2.543 peak  1894 weight  1.00000E+00 volume  5.28939E+04 ppm1      5.410 ppm2      9.726

 ASSI { 1895}
   (( segid "   A" and resid 49   and name  HA  ))
   (( segid "   A" and resid 49   and name  HN  ))
      3.848     1.924     1.924 peak  1895 weight  1.00000E+00 volume  2.82167E+05 ppm1      5.409 ppm2      8.427

 ASSI { 1896}
   (  segid "   A" and resid 49   and name  HD1#)
   (( segid "   A" and resid 49   and name  HB  ))
      2.285     0.565     1.143 peak  1896 weight  1.00000E+00 volume  6.42424E+06 ppm1      1.794 ppm2      0.835

 ASSI { 1897}
   (( segid "   A" and resid 49   and name  HA  ))
   (( segid "   A" and resid 49   and name  HB  ))
      3.413     1.693     1.707 peak  1897 weight  1.00000E+00 volume  4.01912E+04 ppm1      1.792 ppm2      5.412

 ASSI { 1898}
   (( segid "   A" and resid 49   and name  HN  ))
   (( segid "   A" and resid 49   and name  HB  ))
      3.018     1.298     1.509 peak  1898 weight  1.00000E+00 volume  5.31204E+04 ppm1      1.795 ppm2      8.424

 ASSI { 1900}
   (  segid "   A" and resid 49   and name  HD1#)
   (( segid "   A" and resid 49   and name  HN  ))
      3.456     1.728     1.728 peak  1900 weight  1.00000E+00 volume  5.15221E+04 ppm1      0.838 ppm2      8.424

 ASSI { 1902}
   (( segid "   A" and resid 50   and name  HA  ))
   (( segid "   A" and resid 50   and name  HB2 ))
      2.805     1.085     1.402 peak  1902 weight  1.00000E+00 volume  1.87970E+06 ppm1      4.764 ppm2      1.862

 ASSI { 1903}
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 50   and name  HA  ))
      3.345     1.625     1.672 peak  1903 weight  1.00000E+00 volume  3.81699E+04 ppm1      4.766 ppm2      8.608

 ASSI { 1904}
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 50   and name  HA  ))
      4.091     2.046     2.046 peak  1904 weight  1.00000E+00 volume  6.79738E+03 ppm1      4.781 ppm2      9.312

 ASSI { 1905}
   (( segid "   A" and resid 51   and name  HA  ))
   (( segid "   A" and resid 51   and name  HB2 ))
      3.089     1.369     1.545 peak  1905 weight  1.00000E+00 volume  4.53836E+04 ppm1      5.175 ppm2      1.739

 ASSI { 1906}
   (( segid "   A" and resid 51   and name  HA  ))
   (( segid "   A" and resid 51   and name  HB1 ))
      2.815     1.095     1.408 peak  1906 weight  1.00000E+00 volume  1.83936E+06 ppm1      5.179 ppm2      1.890

 ASSI { 1907}
   (( segid "   A" and resid 51   and name  HA  ))
   (( segid "   A" and resid 40   and name  HA  ))
      2.678     0.958     1.339 peak  1907 weight  1.00000E+00 volume  2.48088E+06 ppm1      5.183 ppm2      4.749

 ASSI { 1908}
   (( segid "   A" and resid 51   and name  HA  ))
   (( segid "   A" and resid 51   and name  HN  ))
      2.882     1.162     1.441 peak  1908 weight  1.00000E+00 volume  1.59639E+06 ppm1      5.183 ppm2      8.604

 ASSI { 1909}
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 51   and name  HA  ))
      2.800     1.080     1.400 peak  1909 weight  1.00000E+00 volume  9.18724E+04 ppm1      5.185 ppm2      9.012

 ASSI { 1910}
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 51   and name  HB2 ))
      3.824     1.912     1.912 peak  1910 weight  1.00000E+00 volume  1.41002E+04 ppm1      1.736 ppm2      8.602

 ASSI { 1911}
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 51   and name  HB1 ))
      3.953     1.976     1.976 peak  1911 weight  1.00000E+00 volume  6.39238E+03 ppm1      1.890 ppm2      8.554

 ASSI { 1912}
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 51   and name  HB2 ))
      4.282     2.141     2.141 peak  1912 weight  1.00000E+00 volume  -1.48555E+05 ppm1      1.731 ppm2      8.556

 ASSI { 1913}
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 51   and name  HB1 ))
      4.048     2.024     2.024 peak  1913 weight  1.00000E+00 volume  2.08127E+05 ppm1      1.891 ppm2      8.602

 ASSI { 1915}
   (( segid "   A" and resid 51   and name  HA  ))
   (( segid "   A" and resid 51   and name  HB2 ))
      3.721     1.860     1.860 peak  1915 weight  1.00000E+00 volume  2.10859E+04 ppm1      1.738 ppm2      5.182

 ASSI { 1916}
   (( segid "   A" and resid 52   and name  HA  ))
   (( segid "   A" and resid 52   and name  HB2 ))
      2.913     1.193     1.457 peak  1916 weight  1.00000E+00 volume  3.65864E+04 ppm1      4.403 ppm2      1.916

 ASSI { 1917}
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 52   and name  HA  ))
      3.623     1.812     1.812 peak  1917 weight  1.00000E+00 volume  1.78608E+04 ppm1      4.401 ppm2      8.556

 ASSI { 1918}
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 52   and name  HB2 ))
      4.038     2.019     2.019 peak  1918 weight  1.00000E+00 volume  1.59216E+04 ppm1      1.913 ppm2      8.556

 ASSI { 1919}
   (  segid "   A" and resid 54   and name  HE# )
   (( segid "   A" and resid 52   and name  HB2 ))
      4.712     2.356     2.356 peak  1919 weight  1.00000E+00 volume  6.85700E+03 ppm1      1.916 ppm2      7.174

 ASSI { 1920}
   (( segid "   A" and resid 52   and name  HA  ))
   (( segid "   A" and resid 52   and name  HB2 ))
      3.672     1.836     1.836 peak  1920 weight  1.00000E+00 volume  1.40390E+04 ppm1      1.907 ppm2      4.408

 ASSI { 1921}
   (( segid "   A" and resid 52   and name  HB2 ))
   (  segid "   A" and resid 41   and name  HD1#)
      2.962     1.242     1.481 peak  1921 weight  1.00000E+00 volume  3.72295E+04 ppm1      1.919 ppm2      0.792

 ASSI { 1922}
   (  segid "   A" and resid 54   and name  HD# )
   (( segid "   A" and resid 53   and name  HA  ))
      3.868     1.934     1.934 peak  1922 weight  1.00000E+00 volume  1.88524E+04 ppm1      5.190 ppm2      7.041

 ASSI { 1923}
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 53   and name  HA  ))
      2.891     1.171     1.446 peak  1923 weight  1.00000E+00 volume  1.12240E+05 ppm1      5.182 ppm2      8.986

 ASSI { 1924}
   (( segid "   A" and resid 54   and name  HA  ))
   (  segid "   A" and resid 4    and name  HG1#)
      3.646     1.823     1.823 peak  1924 weight  1.00000E+00 volume  3.89763E+05 ppm1      4.789 ppm2      0.699

 ASSI { 1925}
   (( segid "   A" and resid 54   and name  HA  ))
   (( segid "   A" and resid 54   and name  HB2 ))
      2.965     1.245     1.483 peak  1925 weight  1.00000E+00 volume  1.34675E+06 ppm1      4.776 ppm2      2.975

 ASSI { 1926}
   (( segid "   A" and resid 55   and name  HN  ))
   (( segid "   A" and resid 54   and name  HA  ))
      3.107     1.387     1.554 peak  1926 weight  1.00000E+00 volume  3.11474E+04 ppm1      4.784 ppm2      9.312

 ASSI { 1927}
   (( segid "   A" and resid 55   and name  HN  ))
   (( segid "   A" and resid 54   and name  HB2 ))
      3.487     1.744     1.744 peak  1927 weight  1.00000E+00 volume  2.34799E+04 ppm1      2.982 ppm2      9.300

 ASSI { 1928}
   (  segid "   A" and resid 54   and name  HD# )
   (( segid "   A" and resid 54   and name  HB2 ))
      3.255     1.535     1.628 peak  1928 weight  1.00000E+00 volume  3.53640E+04 ppm1      2.978 ppm2      7.037

 ASSI { 1929}
   (( segid "   A" and resid 54   and name  HB2 ))
   (  segid "   A" and resid 7    and name  HE# )
      4.342     2.171     2.171 peak  1929 weight  1.00000E+00 volume  5.49600E+03 ppm1      2.982 ppm2      6.578

 ASSI { 1930}
   (( segid "   A" and resid 54   and name  HB2 ))
   (( segid "   A" and resid 37   and name  HB  ))
      1.969     0.249     0.985 peak  1930 weight  1.00000E+00 volume  1.01857E+06 ppm1      2.981 ppm2      1.671

 ASSI { 1931}
   (( segid "   A" and resid 54   and name  HB2 ))
   (  segid "   A" and resid 4    and name  HG1#)
      3.597     1.798     1.798 peak  1931 weight  1.00000E+00 volume  5.21336E+04 ppm1      2.977 ppm2      0.699

 ASSI { 1932}
   (( segid "   A" and resid 54   and name  HB2 ))
   (  segid "   A" and resid 37   and name  HG1#)
      3.266     1.546     1.633 peak  1932 weight  1.00000E+00 volume  4.96861E+04 ppm1      2.980 ppm2      0.568

 ASSI { 1933}
   (( segid "   A" and resid 54   and name  HB2 ))
   (  segid "   A" and resid 4    and name  HG2#)
      7.656     3.828     0.344 peak  1933 weight  1.00000E+00 volume  1.17766E+04 ppm1      2.970 ppm2      0.227

 ASSI { 1934}
   (( segid "   A" and resid 55   and name  HA  ))
   (( segid "   A" and resid 55   and name  HB2 ))
      2.800     1.080     1.400 peak  1934 weight  1.00000E+00 volume  8.10786E+04 ppm1      4.383 ppm2      1.847

 ASSI { 1935}
   (( segid "   A" and resid 55   and name  HA  ))
   (( segid "   A" and resid 36   and name  HB2 ))
      3.320     1.600     1.660 peak  1935 weight  1.00000E+00 volume  6.83503E+05 ppm1      4.377 ppm2      3.031

 ASSI { 1936}
   (( segid "   A" and resid 36   and name  HA  ))
   (( segid "   A" and resid 55   and name  HA  ))
      3.156     1.436     1.578 peak  1936 weight  1.00000E+00 volume  9.27294E+05 ppm1      4.394 ppm2      5.177

 ASSI { 1937}
   (( segid "   A" and resid 55   and name  HA  ))
   (  segid "   A" and resid 36   and name  HD# )
      3.910     1.955     1.955 peak  1937 weight  1.00000E+00 volume  2.56081E+05 ppm1      4.397 ppm2      7.072

 ASSI { 1938}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 55   and name  HA  ))
      3.440     1.720     1.720 peak  1938 weight  1.00000E+00 volume  2.96101E+04 ppm1      4.386 ppm2      7.989

 ASSI { 1939}
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 55   and name  HA  ))
      3.424     1.704     1.712 peak  1939 weight  1.00000E+00 volume  5.12306E+04 ppm1      4.397 ppm2      9.293

 ASSI { 1940}
   (( segid "   A" and resid 55   and name  HA  ))
   (( segid "   A" and resid 55   and name  HN  ))
      3.433     1.713     1.717 peak  1940 weight  1.00000E+00 volume  4.54916E+04 ppm1      4.392 ppm2      9.314

 ASSI { 1941}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 55   and name  HB2 ))
      4.159     2.079     2.079 peak  1941 weight  1.00000E+00 volume  7.52838E+03 ppm1      1.851 ppm2      7.984

 ASSI { 1942}
   (  segid "   A" and resid 36   and name  HD# )
   (( segid "   A" and resid 55   and name  HB2 ))
      4.290     2.145     2.145 peak  1942 weight  1.00000E+00 volume  8.40538E+03 ppm1      1.852 ppm2      7.079

 ASSI { 1943}
   (( segid "   A" and resid 55   and name  HA  ))
   (( segid "   A" and resid 55   and name  HB2 ))
      3.173     1.453     1.587 peak  1943 weight  1.00000E+00 volume  8.96645E+05 ppm1      1.850 ppm2      4.396

 ASSI { 1946}
   (( segid "   A" and resid 56   and name  HA  ))
   (  segid "   A" and resid 4    and name  HG2#)
      4.087     2.044     2.044 peak  1946 weight  1.00000E+00 volume  1.96400E+05 ppm1      4.681 ppm2      0.231

 ASSI { 1948}
   (( segid "   A" and resid 37   and name  HN  ))
   (  segid "   A" and resid 56   and name  HB# )
      4.072     2.036     2.036 peak  1948 weight  1.00000E+00 volume  2.00825E+05 ppm1      1.300 ppm2      9.303

 ASSI { 1949}
   (  segid "   A" and resid 56   and name  HB# )
   (( segid "   A" and resid 35   and name  HN  ))
      4.643     2.322     2.322 peak  1949 weight  1.00000E+00 volume  9.10112E+03 ppm1      1.324 ppm2      8.338

 ASSI { 1950}
   (( segid "   A" and resid 36   and name  HA  ))
   (  segid "   A" and resid 56   and name  HB# )
      3.426     1.706     1.713 peak  1950 weight  1.00000E+00 volume  9.75725E+03 ppm1      1.300 ppm2      5.167

 ASSI { 1951}
   (  segid "   A" and resid 56   and name  HB# )
   (( segid "   A" and resid 5    and name  HA  ))
      5.844     2.922     2.156 peak  1951 weight  1.00000E+00 volume  2.29809E+04 ppm1      1.285 ppm2      4.263

 ASSI { 1954}
   (  segid "   A" and resid 56   and name  HB# )
   (  segid "   A" and resid 4    and name  HG1#)
      3.489     1.744     1.744 peak  1954 weight  1.00000E+00 volume  5.07735E+05 ppm1      1.303 ppm2      0.683

 ASSI { 1955}
   (  segid "   A" and resid 56   and name  HB# )
   (  segid "   A" and resid 4    and name  HG2#)
      3.944     1.972     1.972 peak  1955 weight  1.00000E+00 volume  2.43207E+05 ppm1      1.295 ppm2      0.222

 ASSI { 1956}
   (( segid "   A" and resid 63   and name  HN  ))
   (( segid "   A" and resid 62   and name  HB2 ))
      4.082     2.041     2.041 peak  1956 weight  1.00000E+00 volume  -1.97760E+05 ppm1      1.931 ppm2      7.837

 ASSI { 1957}
   (( segid "   A" and resid 63   and name  HN  ))
   (( segid "   A" and resid 62   and name  HB1 ))
      3.522     1.761     1.761 peak  1957 weight  1.00000E+00 volume  4.79829E+05 ppm1      2.220 ppm2      7.837

 ASSI { 1958}
   (( segid "   A" and resid 62   and name  HB1 ))
   (( segid "   A" and resid 62   and name  HA  ))
      2.909     1.189     1.454 peak  1958 weight  1.00000E+00 volume  1.51106E+06 ppm1      2.217 ppm2      4.602

 ASSI { 1959}
   (( segid "   A" and resid 14   and name  HB2 ))
   (( segid "   A" and resid 63   and name  HA  ))
      4.444     2.222     2.222 peak  1959 weight  1.00000E+00 volume  1.18902E+05 ppm1      4.604 ppm2      3.495

 ASSI { 1961}
   (( segid "   A" and resid 14   and name  HB1 ))
   (( segid "   A" and resid 63   and name  HA  ))
      4.454     2.227     2.227 peak  1961 weight  1.00000E+00 volume  1.17339E+05 ppm1      4.592 ppm2      3.706

 ASSI { 1962}
   (( segid "   A" and resid 63   and name  HN  ))
   (( segid "   A" and resid 63   and name  HA  ))
      3.471     1.736     1.736 peak  1962 weight  1.00000E+00 volume  3.20670E+04 ppm1      4.602 ppm2      7.827

 ASSI { 1963}
   (( segid "   A" and resid 14   and name  HN  ))
   (  segid "   A" and resid 63   and name  HB# )
      3.482     1.741     1.741 peak  1963 weight  1.00000E+00 volume  6.49706E+04 ppm1      0.851 ppm2      8.832

 ASSI { 1964}
   (( segid "   A" and resid 13   and name  HN  ))
   (  segid "   A" and resid 63   and name  HB# )
      3.642     1.821     1.821 peak  1964 weight  1.00000E+00 volume  3.92566E+05 ppm1      0.854 ppm2      9.088

 ASSI { 1965}
   (( segid "   A" and resid 63   and name  HN  ))
   (  segid "   A" and resid 63   and name  HB# )
      2.814     1.094     1.407 peak  1965 weight  1.00000E+00 volume  1.84473E+06 ppm1      0.850 ppm2      7.835

 ASSI { 1966}
   (( segid "   A" and resid 14   and name  HA  ))
   (  segid "   A" and resid 63   and name  HB# )
      4.352     2.176     2.176 peak  1966 weight  1.00000E+00 volume  1.34697E+05 ppm1      0.849 ppm2      5.601

 ASSI { 1967}
   (( segid "   A" and resid 13   and name  HA  ))
   (  segid "   A" and resid 63   and name  HB# )
      3.044     1.324     1.522 peak  1967 weight  1.00000E+00 volume  1.15008E+06 ppm1      0.852 ppm2      5.034

 ASSI { 1968}
   (( segid "   A" and resid 63   and name  HA  ))
   (  segid "   A" and resid 63   and name  HB# )
      2.449     0.729     1.224 peak  1968 weight  1.00000E+00 volume  4.24564E+06 ppm1      0.852 ppm2      4.602

 ASSI { 1969}
   (( segid "   A" and resid 14   and name  HB1 ))
   (  segid "   A" and resid 63   and name  HB# )
      3.896     1.948     1.948 peak  1969 weight  1.00000E+00 volume  2.61894E+05 ppm1      0.850 ppm2      3.697

 ASSI { 1970}
   (( segid "   A" and resid 67   and name  HB2 ))
   (( segid "   A" and resid 112  and name  HB2 ))
      3.944     1.972     1.972 peak  1970 weight  1.00000E+00 volume  1.41051E+04 ppm1      2.555 ppm2      2.015

 ASSI { 1971}
   (( segid "   A" and resid 68   and name  HA  ))
   (( segid "   A" and resid 68   and name  HG2 ))
      3.018     1.298     1.509 peak  1971 weight  1.00000E+00 volume  5.86832E+04 ppm1      4.621 ppm2      1.607

 ASSI { 1972}
   (( segid "   A" and resid 68   and name  HA  ))
   (( segid "   A" and resid 68   and name  HB2 ))
      2.828     1.108     1.414 peak  1972 weight  1.00000E+00 volume  6.03015E+04 ppm1      4.621 ppm2      1.804

 ASSI { 1973}
   (( segid "   A" and resid 69   and name  HN  ))
   (( segid "   A" and resid 68   and name  HA  ))
      3.320     1.600     1.660 peak  1973 weight  1.00000E+00 volume  6.83205E+05 ppm1      4.622 ppm2      8.690

 ASSI { 1975}
   (( segid "   A" and resid 113  and name  HN  ))
   (( segid "   A" and resid 68   and name  HB2 ))
      3.925     1.963     1.963 peak  1975 weight  1.00000E+00 volume  2.50394E+05 ppm1      1.809 ppm2      9.078

 ASSI { 1976}
   (( segid "   A" and resid 68   and name  HN  ))
   (( segid "   A" and resid 68   and name  HB2 ))
      3.485     1.743     1.743 peak  1976 weight  1.00000E+00 volume  1.57771E+04 ppm1      1.803 ppm2      8.789

 ASSI { 1977}
   (( segid "   A" and resid 69   and name  HN  ))
   (( segid "   A" and resid 68   and name  HB2 ))
      3.586     1.793     1.793 peak  1977 weight  1.00000E+00 volume  1.73992E+04 ppm1      1.802 ppm2      8.693

 ASSI { 1978}
   (( segid "   A" and resid 70   and name  HA  ))
   (( segid "   A" and resid 71   and name  HN  ))
      2.831     1.111     1.415 peak  1978 weight  1.00000E+00 volume  1.12029E+05 ppm1      5.174 ppm2      9.081

 ASSI { 1979}
   (( segid "   A" and resid 70   and name  HN  ))
   (( segid "   A" and resid 70   and name  HA  ))
      3.186     1.466     1.593 peak  1979 weight  1.00000E+00 volume  4.24070E+04 ppm1      5.176 ppm2      8.919

 ASSI { 1980}
   (( segid "   A" and resid 85   and name  HN  ))
   (( segid "   A" and resid 70   and name  HA  ))
      3.109     1.389     1.555 peak  1980 weight  1.00000E+00 volume  6.18915E+04 ppm1      5.176 ppm2      8.692

 ASSI { 1981}
   (( segid "   A" and resid 70   and name  HA  ))
   (( segid "   A" and resid 84   and name  HB2 ))
      5.459     2.730     2.541 peak  1981 weight  1.00000E+00 volume  3.45738E+04 ppm1      5.168 ppm2      2.519

 ASSI { 1982}
   (( segid "   A" and resid 70   and name  HA  ))
   (( segid "   A" and resid 70   and name  HB1 ))
      2.777     1.057     1.388 peak  1982 weight  1.00000E+00 volume  1.99748E+06 ppm1      5.177 ppm2      1.798

 ASSI { 1983}
   (( segid "   A" and resid 70   and name  HA  ))
   (( segid "   A" and resid 70   and name  HB2 ))
      3.350     1.630     1.675 peak  1983 weight  1.00000E+00 volume  6.47469E+05 ppm1      5.176 ppm2      1.613

 ASSI { 1985}
   (( segid "   A" and resid 70   and name  HB2 ))
   (( segid "   A" and resid 82   and name  HB2 ))
      4.327     2.163     2.163 peak  1985 weight  1.00000E+00 volume  1.39579E+05 ppm1      1.617 ppm2      2.912

 ASSI { 1986}
   (( segid "   A" and resid 70   and name  HB2 ))
   (( segid "   A" and resid 82   and name  HB1 ))
      4.275     2.138     2.138 peak  1986 weight  1.00000E+00 volume  1.49982E+05 ppm1      1.615 ppm2      2.971

 ASSI { 1987}
   (( segid "   A" and resid 70   and name  HA  ))
   (( segid "   A" and resid 70   and name  HB1 ))
      3.383     1.663     1.692 peak  1987 weight  1.00000E+00 volume  6.10194E+05 ppm1      1.799 ppm2      5.177

 ASSI { 1988}
   (( segid "   A" and resid 70   and name  HA  ))
   (( segid "   A" and resid 70   and name  HB2 ))
      3.982     1.991     1.991 peak  1988 weight  1.00000E+00 volume  1.33728E+04 ppm1      1.610 ppm2      5.177

 ASSI { 1989}
   (( segid "   A" and resid 82   and name  HA  ))
   (( segid "   A" and resid 70   and name  HB2 ))
      8.000     4.000     0.000 peak  1989 weight  1.00000E+00 volume  -2.91800E+03 ppm1      1.617 ppm2      5.345

 ASSI { 1990}
   (( segid "   A" and resid 82   and name  HA  ))
   (( segid "   A" and resid 70   and name  HB1 ))
      3.471     1.735     1.735 peak  1990 weight  1.00000E+00 volume  5.23775E+05 ppm1      1.798 ppm2      5.346

 ASSI { 1991}
   (  segid "   A" and resid 82   and name  HD# )
   (( segid "   A" and resid 70   and name  HB2 ))
      4.177     2.088     2.088 peak  1991 weight  1.00000E+00 volume  1.72420E+05 ppm1      1.614 ppm2      6.995

 ASSI { 1992}
   (  segid "   A" and resid 82   and name  HD# )
   (( segid "   A" and resid 70   and name  HB1 ))
      5.121     2.561     2.561 peak  1992 weight  1.00000E+00 volume  5.07399E+04 ppm1      1.801 ppm2      6.995

 ASSI { 1993}
   (( segid "   A" and resid 70   and name  HN  ))
   (( segid "   A" and resid 70   and name  HB1 ))
      4.231     2.115     2.115 peak  1993 weight  1.00000E+00 volume  8.58862E+03 ppm1      1.798 ppm2      8.923

 ASSI { 1994}
   (( segid "   A" and resid 70   and name  HN  ))
   (( segid "   A" and resid 70   and name  HB2 ))
      4.098     2.049     2.049 peak  1994 weight  1.00000E+00 volume  1.02178E+04 ppm1      1.613 ppm2      8.920

 ASSI { 1995}
   (( segid "   A" and resid 71   and name  HN  ))
   (( segid "   A" and resid 70   and name  HB2 ))
      3.681     1.841     1.841 peak  1995 weight  1.00000E+00 volume  1.84215E+04 ppm1      1.614 ppm2      9.084

 ASSI { 1996}
   (( segid "   A" and resid 71   and name  HN  ))
   (( segid "   A" and resid 70   and name  HB1 ))
      3.733     1.866     1.866 peak  1996 weight  1.00000E+00 volume  1.72369E+04 ppm1      1.794 ppm2      9.080

 ASSI { 1997}
   (( segid "   A" and resid 83   and name  HN  ))
   (( segid "   A" and resid 70   and name  HB2 ))
      4.839     2.420     2.420 peak  1997 weight  1.00000E+00 volume  8.33588E+03 ppm1      1.616 ppm2      9.325

 ASSI { 1998}
   (( segid "   A" and resid 72   and name  HN  ))
   (( segid "   A" and resid 71   and name  HA  ))
      2.741     1.021     1.371 peak  1998 weight  1.00000E+00 volume  1.08247E+05 ppm1      5.212 ppm2      9.126

 ASSI { 1999}
   (( segid "   A" and resid 71   and name  HN  ))
   (( segid "   A" and resid 71   and name  HA  ))
      2.583     0.863     1.292 peak  1999 weight  1.00000E+00 volume  1.40742E+05 ppm1      5.209 ppm2      9.082

 ASSI { 2000}
   (( segid "   A" and resid 111  and name  HN  ))
   (( segid "   A" and resid 71   and name  HA  ))
      2.596     0.876     1.298 peak  2000 weight  1.00000E+00 volume  2.99207E+06 ppm1      5.210 ppm2      9.068

 ASSI { 2001}
   (( segid "   A" and resid 71   and name  HA  ))
   (( segid "   A" and resid 71   and name  HG2 ))
      3.001     1.281     1.500 peak  2001 weight  1.00000E+00 volume  1.25391E+06 ppm1      5.209 ppm2      2.214

 ASSI { 2002}
   (( segid "   A" and resid 71   and name  HA  ))
   (( segid "   A" and resid 71   and name  HB2 ))
      2.715     0.995     1.358 peak  2002 weight  1.00000E+00 volume  8.33722E+04 ppm1      5.207 ppm2      2.000

 ASSI { 2003}
   (( segid "   A" and resid 71   and name  HA  ))
   (( segid "   A" and resid 71   and name  HB1 ))
      2.904     1.184     1.452 peak  2003 weight  1.00000E+00 volume  3.59244E+04 ppm1      5.205 ppm2      1.811

 ASSI { 2004}
   (( segid "   A" and resid 108  and name  HA2 ))
   (( segid "   A" and resid 71   and name  HG2 ))
      4.309     2.154     2.154 peak  2004 weight  1.00000E+00 volume  2.45982E+04 ppm1      2.214 ppm2      3.751

 ASSI { 2005}
   (( segid "   A" and resid 109  and name  HA  ))
   (( segid "   A" and resid 71   and name  HG2 ))
      4.867     2.433     2.433 peak  2005 weight  1.00000E+00 volume  3.35564E+04 ppm1      2.210 ppm2      4.292

 ASSI { 2006}
   (( segid "   A" and resid 71   and name  HG2 ))
   (( segid "   A" and resid 108  and name  HA2 ))
      3.258     1.538     1.629 peak  2006 weight  1.00000E+00 volume  4.35056E+04 ppm1      2.208 ppm2      4.411

 ASSI { 2007}
   (( segid "   A" and resid 110  and name  HA  ))
   (( segid "   A" and resid 71   and name  HG2 ))
      3.876     1.938     1.938 peak  2007 weight  1.00000E+00 volume  1.63080E+04 ppm1      2.210 ppm2      5.092

 ASSI { 2008}
   (( segid "   A" and resid 71   and name  HA  ))
   (( segid "   A" and resid 71   and name  HG2 ))
      3.170     1.450     1.585 peak  2008 weight  1.00000E+00 volume  5.60645E+04 ppm1      2.205 ppm2      5.211

 ASSI { 2009}
   (( segid "   A" and resid 110  and name  HN  ))
   (( segid "   A" and resid 71   and name  HG2 ))
      4.800     2.400     2.400 peak  2009 weight  1.00000E+00 volume  1.60121E+04 ppm1      2.207 ppm2      8.527

 ASSI { 2010}
   (( segid "   A" and resid 108  and name  HN  ))
   (( segid "   A" and resid 71   and name  HG2 ))
      3.339     1.619     1.670 peak  2010 weight  1.00000E+00 volume  4.59395E+04 ppm1      2.209 ppm2      9.096

 ASSI { 2011}
   (( segid "   A" and resid 72   and name  HN  ))
   (( segid "   A" and resid 71   and name  HG2 ))
      3.454     1.727     1.727 peak  2011 weight  1.00000E+00 volume  5.39510E+05 ppm1      2.211 ppm2      9.131

 ASSI { 2012}
   (( segid "   A" and resid 83   and name  HN  ))
   (( segid "   A" and resid 72   and name  HA  ))
      4.468     2.234     2.234 peak  2012 weight  1.00000E+00 volume  1.15066E+05 ppm1      4.118 ppm2      9.323

 ASSI { 2013}
   (( segid "   A" and resid 72   and name  HN  ))
   (( segid "   A" and resid 72   and name  HA  ))
      4.390     2.195     2.195 peak  2013 weight  1.00000E+00 volume  1.27883E+05 ppm1      4.102 ppm2      9.123

 ASSI { 2014}
   (( segid "   A" and resid 73   and name  HN  ))
   (( segid "   A" and resid 72   and name  HA  ))
      4.277     2.139     2.139 peak  2014 weight  1.00000E+00 volume  1.46494E+04 ppm1      4.107 ppm2      8.788

 ASSI { 2015}
   (( segid "   A" and resid 82   and name  HA  ))
   (( segid "   A" and resid 72   and name  HA  ))
      3.851     1.925     1.925 peak  2015 weight  1.00000E+00 volume  2.12180E+04 ppm1      4.110 ppm2      5.348

 ASSI { 2016}
   (( segid "   A" and resid 72   and name  HB2 ))
   (( segid "   A" and resid 72   and name  HA  ))
      4.324     2.162     2.162 peak  2016 weight  1.00000E+00 volume  1.40167E+05 ppm1      4.117 ppm2      2.714

 ASSI { 2017}
   (  segid "   A" and resid 105  and name  HD1#)
   (( segid "   A" and resid 72   and name  HB2 ))
      6.342     3.171     1.658 peak  2017 weight  1.00000E+00 volume  1.40696E+04 ppm1      2.715 ppm2      0.400

 ASSI { 2019}
   (( segid "   A" and resid 109  and name  HB2 ))
   (( segid "   A" and resid 72   and name  HB2 ))
      3.543     1.771     1.771 peak  2019 weight  1.00000E+00 volume  2.52812E+04 ppm1      2.726 ppm2      2.346

 ASSI { 2020}
   (( segid "   A" and resid 107  and name  HA  ))
   (( segid "   A" and resid 72   and name  HB2 ))
      5.209     2.604     2.604 peak  2020 weight  1.00000E+00 volume  3.71500E+03 ppm1      2.746 ppm2      3.553

 ASSI { 2021}
   (( segid "   A" and resid 72   and name  HB2 ))
   (( segid "   A" and resid 72   and name  HA  ))
      4.725     2.362     2.362 peak  2021 weight  1.00000E+00 volume  6.36412E+03 ppm1      2.759 ppm2      4.116

 ASSI { 2022}
   (( segid "   A" and resid 109  and name  HN  ))
   (( segid "   A" and resid 72   and name  HB2 ))
      4.327     2.164     2.164 peak  2022 weight  1.00000E+00 volume  9.37788E+03 ppm1      2.744 ppm2      8.122

 ASSI { 2023}
   (( segid "   A" and resid 73   and name  HN  ))
   (( segid "   A" and resid 72   and name  HB2 ))
      4.461     2.231     2.231 peak  2023 weight  1.00000E+00 volume  7.10388E+03 ppm1      2.729 ppm2      8.788

 ASSI { 2024}
   (( segid "   A" and resid 108  and name  HN  ))
   (( segid "   A" and resid 72   and name  HB2 ))
      4.103     2.051     2.051 peak  2024 weight  1.00000E+00 volume  6.07038E+03 ppm1      2.724 ppm2      9.090

 ASSI { 2025}
   (( segid "   A" and resid 72   and name  HN  ))
   (( segid "   A" and resid 72   and name  HB2 ))
      4.072     2.036     2.036 peak  2025 weight  1.00000E+00 volume  5.62112E+03 ppm1      2.722 ppm2      9.126

 ASSI { 2026}
   (( segid "   A" and resid 108  and name  HN  ))
   (( segid "   A" and resid 73   and name  HA  ))
      4.642     2.321     2.321 peak  2026 weight  1.00000E+00 volume  9.15132E+04 ppm1      4.232 ppm2      9.103

 ASSI { 2027}
   (( segid "   A" and resid 73   and name  HN  ))
   (( segid "   A" and resid 73   and name  HA  ))
      4.076     2.038     2.038 peak  2027 weight  1.00000E+00 volume  1.19519E+04 ppm1      4.211 ppm2      8.790

 ASSI { 2028}
   (( segid "   A" and resid 74   and name  HN  ))
   (( segid "   A" and resid 73   and name  HA  ))
      3.814     1.907     1.907 peak  2028 weight  1.00000E+00 volume  1.61825E+04 ppm1      4.228 ppm2      6.319

 ASSI { 2029}
   (( segid "   A" and resid 73   and name  HA  ))
   (( segid "   A" and resid 73   and name  HB2 ))
      5.386     2.693     2.614 peak  2029 weight  1.00000E+00 volume  -3.75018E+04 ppm1      4.235 ppm2      1.703

 ASSI { 2030}
   (  segid "   A" and resid 73   and name  HD1#)
   (( segid "   A" and resid 73   and name  HA  ))
      3.898     1.949     1.949 peak  2030 weight  1.00000E+00 volume  2.61140E+05 ppm1      4.227 ppm2      1.127

 ASSI { 2031}
   (  segid "   A" and resid 73   and name  HD2#)
   (( segid "   A" and resid 73   and name  HA  ))
      3.630     1.815     1.815 peak  2031 weight  1.00000E+00 volume  3.99889E+05 ppm1      4.225 ppm2      0.948

 ASSI { 2032}
   (  segid "   A" and resid 73   and name  HD2#)
   (( segid "   A" and resid 73   and name  HB2 ))
      4.112     2.056     2.056 peak  2032 weight  1.00000E+00 volume  1.89258E+05 ppm1      1.701 ppm2      0.950

 ASSI { 2033}
   (  segid "   A" and resid 73   and name  HD1#)
   (( segid "   A" and resid 73   and name  HB2 ))
      4.000     2.000     2.000 peak  2033 weight  1.00000E+00 volume  2.23532E+05 ppm1      1.700 ppm2      1.126

 ASSI { 2037}
   (( segid "   A" and resid 73   and name  HN  ))
   (( segid "   A" and resid 73   and name  HB2 ))
      4.134     2.067     2.067 peak  2037 weight  1.00000E+00 volume  1.83495E+05 ppm1      1.699 ppm2      8.787

 ASSI { 2038}
   (( segid "   A" and resid 74   and name  HB1 ))
   (  segid "   A" and resid 73   and name  HD1#)
      3.974     1.987     1.987 peak  2038 weight  1.00000E+00 volume  -2.32274E+05 ppm1      1.114 ppm2      2.840

 ASSI { 2039}
   (  segid "   A" and resid 73   and name  HD1#)
   (( segid "   A" and resid 81   and name  HB  ))
      4.417     2.209     2.209 peak  2039 weight  1.00000E+00 volume  1.23250E+05 ppm1      1.126 ppm2      2.042

 ASSI { 2040}
   (  segid "   A" and resid 73   and name  HD1#)
   (( segid "   A" and resid 83   and name  HB2 ))
      4.022     2.011     2.011 peak  2040 weight  1.00000E+00 volume  2.16164E+05 ppm1      1.124 ppm2      2.001

 ASSI { 2043}
   (  segid "   A" and resid 75   and name  HB# )
   (( segid "   A" and resid 74   and name  HA  ))
      3.694     1.847     1.847 peak  2043 weight  1.00000E+00 volume  3.60453E+05 ppm1      4.187 ppm2      1.273

 ASSI { 2046}
   (( segid "   A" and resid 74   and name  HN  ))
   (( segid "   A" and resid 74   and name  HB1 ))
      3.737     1.868     1.868 peak  2046 weight  1.00000E+00 volume  1.46095E+04 ppm1      2.838 ppm2      6.325

 ASSI { 2047}
   (( segid "   A" and resid 74   and name  HN  ))
   (( segid "   A" and resid 74   and name  HB2 ))
      4.138     2.069     2.069 peak  2047 weight  1.00000E+00 volume  1.34954E+04 ppm1      3.329 ppm2      6.319

 ASSI { 2048}
   (( segid "   A" and resid 74   and name  HB1 ))
   (  segid "   A" and resid 73   and name  HD2#)
      5.138     2.569     2.569 peak  2048 weight  1.00000E+00 volume  6.28975E+03 ppm1      2.831 ppm2      0.948

 ASSI { 2050}
   (( segid "   A" and resid 74   and name  HB1 ))
   (  segid "   A" and resid 73   and name  HD1#)
      6.702     3.351     1.298 peak  2050 weight  1.00000E+00 volume  1.01050E+04 ppm1      2.831 ppm2      1.120

 ASSI { 2052}
   (( segid "   A" and resid 75   and name  HA  ))
   (( segid "   A" and resid 80   and name  HB2 ))
      4.547     2.273     2.273 peak  2052 weight  1.00000E+00 volume  1.03652E+05 ppm1      4.717 ppm2      2.863

 ASSI { 2053}
   (( segid "   A" and resid 75   and name  HA  ))
   (( segid "   A" and resid 80   and name  HB1 ))
      3.872     1.936     1.936 peak  2053 weight  1.00000E+00 volume  7.53938E+03 ppm1      4.748 ppm2      2.944

 ASSI { 2054}
   (( segid "   A" and resid 80   and name  HA  ))
   (( segid "   A" and resid 75   and name  HA  ))
      3.208     1.488     1.604 peak  2054 weight  1.00000E+00 volume  8.40680E+05 ppm1      4.734 ppm2      4.542

 ASSI { 2055}
   (( segid "   A" and resid 75   and name  HA  ))
   (( segid "   A" and resid 75   and name  HN  ))
      3.797     1.899     1.899 peak  2055 weight  1.00000E+00 volume  3.05355E+05 ppm1      4.752 ppm2      8.420

 ASSI { 2056}
   (( segid "   A" and resid 81   and name  HN  ))
   (( segid "   A" and resid 75   and name  HA  ))
      4.174     2.087     2.087 peak  2056 weight  1.00000E+00 volume  1.73227E+05 ppm1      4.752 ppm2      8.475

 ASSI { 2057}
   (( segid "   A" and resid 75   and name  HA  ))
   (( segid "   A" and resid 77   and name  HN  ))
      3.816     1.908     1.908 peak  2057 weight  1.00000E+00 volume  2.96524E+05 ppm1      4.733 ppm2      8.612

 ASSI { 2058}
   (( segid "   A" and resid 76   and name  HN  ))
   (( segid "   A" and resid 75   and name  HA  ))
      4.645     2.323     2.323 peak  2058 weight  1.00000E+00 volume  9.11349E+04 ppm1      4.738 ppm2      8.826

 ASSI { 2059}
   (( segid "   A" and resid 76   and name  HN  ))
   (  segid "   A" and resid 75   and name  HB# )
      2.779     1.059     1.390 peak  2059 weight  1.00000E+00 volume  1.98737E+06 ppm1      1.266 ppm2      8.822

 ASSI { 2060}
   (  segid "   A" and resid 75   and name  HB# )
   (( segid "   A" and resid 77   and name  HN  ))
      4.747     2.374     2.374 peak  2060 weight  1.00000E+00 volume  7.99835E+04 ppm1      1.266 ppm2      8.609

 ASSI { 2061}
   (  segid "   A" and resid 75   and name  HB# )
   (( segid "   A" and resid 75   and name  HN  ))
      2.566     0.846     1.283 peak  2061 weight  1.00000E+00 volume  3.20772E+06 ppm1      1.267 ppm2      8.422

 ASSI { 2062}
   (( segid "   A" and resid 75   and name  HA  ))
   (  segid "   A" and resid 75   and name  HB# )
      2.290     0.570     1.145 peak  2062 weight  1.00000E+00 volume  6.35083E+06 ppm1      1.268 ppm2      4.717

 ASSI { 2063}
   (  segid "   A" and resid 75   and name  HB# )
   (( segid "   A" and resid 74   and name  HA  ))
      3.214     1.494     1.607 peak  2063 weight  1.00000E+00 volume  8.30888E+05 ppm1      1.259 ppm2      4.186

 ASSI { 2064}
   (( segid "   A" and resid 107  and name  HB2 ))
   (  segid "   A" and resid 75   and name  HB# )
      5.198     2.599     2.599 peak  2064 weight  1.00000E+00 volume  4.63991E+04 ppm1      1.275 ppm2      1.896

 ASSI { 2065}
   (  segid "   A" and resid 74   and name  HE# )
   (( segid "   A" and resid 76   and name  HA  ))
      4.580     2.290     2.290 peak  2065 weight  1.00000E+00 volume  9.91975E+04 ppm1      4.722 ppm2      6.602

 ASSI { 2066}
   (( segid "   A" and resid 76   and name  HA  ))
   (( segid "   A" and resid 77   and name  HN  ))
      4.039     2.019     2.019 peak  2066 weight  1.00000E+00 volume  2.17015E+04 ppm1      4.732 ppm2      8.603

 ASSI { 2067}
   (( segid "   A" and resid 76   and name  HN  ))
   (( segid "   A" and resid 76   and name  HB1 ))
      3.459     1.729     1.729 peak  2067 weight  1.00000E+00 volume  2.19106E+04 ppm1      2.710 ppm2      8.825

 ASSI { 2069}
   (( segid "   A" and resid 79   and name  HN  ))
   (( segid "   A" and resid 76   and name  HB2 ))
      5.890     2.945     2.110 peak  2069 weight  1.00000E+00 volume  2.19374E+04 ppm1      2.367 ppm2      7.722

 ASSI { 2070}
   (( segid "   A" and resid 79   and name  HN  ))
   (( segid "   A" and resid 76   and name  HB1 ))
      4.281     2.141     2.141 peak  2070 weight  1.00000E+00 volume  -1.48660E+05 ppm1      2.711 ppm2      7.733

 ASSI { 2071}
   (( segid "   A" and resid 76   and name  HB1 ))
   (  segid "   A" and resid 74   and name  HE# )
      3.513     1.757     1.757 peak  2071 weight  1.00000E+00 volume  4.86862E+05 ppm1      2.703 ppm2      6.606

 ASSI { 2072}
   (( segid "   A" and resid 76   and name  HB2 ))
   (( segid "   A" and resid 76   and name  HA  ))
      3.053     1.333     1.527 peak  2072 weight  1.00000E+00 volume  6.17950E+04 ppm1      2.366 ppm2      4.717

 ASSI { 2073}
   (( segid "   A" and resid 76   and name  HB1 ))
   (( segid "   A" and resid 76   and name  HA  ))
      2.773     1.053     1.387 peak  2073 weight  1.00000E+00 volume  1.33035E+05 ppm1      2.708 ppm2      4.720

 ASSI { 2075}
   (  segid "   A" and resid 81   and name  HG1#)
   (( segid "   A" and resid 76   and name  HB2 ))
      3.422     1.702     1.711 peak  2075 weight  1.00000E+00 volume  2.65490E+04 ppm1      2.368 ppm2      0.717

 ASSI { 2076}
   (  segid "   A" and resid 81   and name  HG1#)
   (( segid "   A" and resid 76   and name  HB1 ))
      3.381     1.661     1.690 peak  2076 weight  1.00000E+00 volume  6.12909E+05 ppm1      2.707 ppm2      0.712

 ASSI { 2077}
   (( segid "   A" and resid 77   and name  HA1 ))
   (( segid "   A" and resid 77   and name  HN  ))
      4.715     2.358     2.358 peak  2077 weight  1.00000E+00 volume  8.33019E+04 ppm1      3.571 ppm2      8.619

 ASSI { 2078}
   (( segid "   A" and resid 79   and name  HN  ))
   (( segid "   A" and resid 78   and name  HA  ))
      4.079     2.040     2.040 peak  2078 weight  1.00000E+00 volume  1.98692E+05 ppm1      4.745 ppm2      7.732

 ASSI { 2079}
   (( segid "   A" and resid 78   and name  HA  ))
   (( segid "   A" and resid 95   and name  HB2 ))
      3.785     1.893     1.893 peak  2079 weight  1.00000E+00 volume  1.51446E+04 ppm1      4.746 ppm2      4.038

 ASSI { 2080}
   (( segid "   A" and resid 78   and name  HA  ))
   (( segid "   A" and resid 78   and name  HB2 ))
      3.114     1.394     1.557 peak  2080 weight  1.00000E+00 volume  6.34940E+04 ppm1      4.750 ppm2      2.920

 ASSI { 2081}
   (( segid "   A" and resid 78   and name  HA  ))
   (( segid "   A" and resid 78   and name  HB1 ))
      3.479     1.739     1.739 peak  2081 weight  1.00000E+00 volume  5.16555E+05 ppm1      4.744 ppm2      2.542

 ASSI { 2082}
   (( segid "   A" and resid 78   and name  HB2 ))
   (( segid "   A" and resid 78   and name  HB1 ))
      2.580     0.860     1.290 peak  2082 weight  1.00000E+00 volume  3.10718E+06 ppm1      2.539 ppm2      2.921

 ASSI { 2083}
   (( segid "   A" and resid 78   and name  HB2 ))
   (( segid "   A" and resid 78   and name  HB1 ))
      2.395     0.675     1.198 peak  2083 weight  1.00000E+00 volume  4.14818E+05 ppm1      2.918 ppm2      2.542

 ASSI { 2084}
   (( segid "   A" and resid 95   and name  HB2 ))
   (( segid "   A" and resid 78   and name  HB1 ))
      5.845     2.923     2.155 peak  2084 weight  1.00000E+00 volume  1.01459E+04 ppm1      2.542 ppm2      4.042

 ASSI { 2086}
   (( segid "   A" and resid 78   and name  HA  ))
   (( segid "   A" and resid 78   and name  HB1 ))
      2.451     0.731     1.225 peak  2086 weight  1.00000E+00 volume  2.58601E+05 ppm1      2.541 ppm2      4.730

 ASSI { 2087}
   (( segid "   A" and resid 78   and name  HA  ))
   (( segid "   A" and resid 78   and name  HB2 ))
      2.179     0.459     1.090 peak  2087 weight  1.00000E+00 volume  8.54780E+06 ppm1      2.917 ppm2      4.729

 ASSI { 2088}
   (( segid "   A" and resid 79   and name  HN  ))
   (( segid "   A" and resid 78   and name  HB2 ))
      4.077     2.038     2.038 peak  2088 weight  1.00000E+00 volume  1.99380E+05 ppm1      2.916 ppm2      7.734

 ASSI { 2089}
   (( segid "   A" and resid 79   and name  HN  ))
   (( segid "   A" and resid 78   and name  HB1 ))
      4.187     2.094     2.094 peak  2089 weight  1.00000E+00 volume  1.69870E+05 ppm1      2.534 ppm2      7.733

 ASSI { 2090}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 79   and name  HA  ))
      3.889     1.944     1.944 peak  2090 weight  1.00000E+00 volume  2.64718E+05 ppm1      5.180 ppm2      9.247

 ASSI { 2092}
   (( segid "   A" and resid 79   and name  HB2 ))
   (( segid "   A" and resid 79   and name  HB1 ))
      2.580     0.860     1.290 peak  2092 weight  1.00000E+00 volume  1.90427E+05 ppm1      2.811 ppm2      2.439

 ASSI { 2093}
   (( segid "   A" and resid 79   and name  HA  ))
   (( segid "   A" and resid 79   and name  HB2 ))
      3.316     1.596     1.658 peak  2093 weight  1.00000E+00 volume  6.88032E+05 ppm1      2.810 ppm2      5.191

 ASSI { 2095}
   (( segid "   A" and resid 76   and name  HN  ))
   (( segid "   A" and resid 80   and name  HA  ))
      4.002     2.001     2.001 peak  2095 weight  1.00000E+00 volume  1.17654E+04 ppm1      4.534 ppm2      8.826

 ASSI { 2097}
   (  segid "   A" and resid 81   and name  HG1#)
   (( segid "   A" and resid 80   and name  HA  ))
      3.824     1.912     1.912 peak  2097 weight  1.00000E+00 volume  2.41350E+04 ppm1      4.542 ppm2      0.716

 ASSI { 2098}
   (  segid "   A" and resid 98   and name  HD1#)
   (( segid "   A" and resid 80   and name  HA  ))
      4.110     2.055     2.055 peak  2098 weight  1.00000E+00 volume  1.71955E+04 ppm1      4.542 ppm2      0.667

 ASSI { 2099}
   (  segid "   A" and resid 98   and name  HD1#)
   (( segid "   A" and resid 80   and name  HB2 ))
      4.201     2.100     2.100 peak  2099 weight  1.00000E+00 volume  2.71628E+04 ppm1      2.885 ppm2      0.668

 ASSI { 2100}
   (  segid "   A" and resid 98   and name  HD1#)
   (( segid "   A" and resid 80   and name  HB1 ))
      3.909     1.955     1.955 peak  2100 weight  1.00000E+00 volume  9.67188E+03 ppm1      2.948 ppm2      0.668

 ASSI { 2101}
   (( segid "   A" and resid 93   and name  HB2 ))
   (( segid "   A" and resid 80   and name  HB2 ))
      3.976     1.988     1.988 peak  2101 weight  1.00000E+00 volume  4.10925E+03 ppm1      2.888 ppm2      1.556

 ASSI { 2102}
   (( segid "   A" and resid 93   and name  HB1 ))
   (( segid "   A" and resid 80   and name  HB2 ))
      4.464     2.232     2.232 peak  2102 weight  1.00000E+00 volume  4.33375E+03 ppm1      2.894 ppm2      1.677

 ASSI { 2103}
   (( segid "   A" and resid 93   and name  HB1 ))
   (( segid "   A" and resid 80   and name  HB1 ))
      4.511     2.255     2.255 peak  2103 weight  1.00000E+00 volume  6.09512E+03 ppm1      2.946 ppm2      1.681

 ASSI { 2104}
   (( segid "   A" and resid 80   and name  HA  ))
   (( segid "   A" and resid 80   and name  HB1 ))
      2.967     1.247     1.484 peak  2104 weight  1.00000E+00 volume  1.90924E+04 ppm1      2.956 ppm2      4.541

 ASSI { 2105}
   (( segid "   A" and resid 80   and name  HA  ))
   (( segid "   A" and resid 80   and name  HB2 ))
      2.845     1.125     1.422 peak  2105 weight  1.00000E+00 volume  1.72775E+06 ppm1      2.886 ppm2      4.541

 ASSI { 2106}
   (( segid "   A" and resid 75   and name  HA  ))
   (( segid "   A" and resid 80   and name  HB2 ))
      2.884     1.164     1.442 peak  2106 weight  1.00000E+00 volume  1.59239E+06 ppm1      2.886 ppm2      4.718

 ASSI { 2109}
   (  segid "   A" and resid 82   and name  HD# )
   (( segid "   A" and resid 80   and name  HB2 ))
      4.072     2.036     2.036 peak  2109 weight  1.00000E+00 volume  9.59238E+03 ppm1      2.884 ppm2      6.994

 ASSI { 2110}
   (( segid "   A" and resid 81   and name  HN  ))
   (( segid "   A" and resid 80   and name  HB2 ))
      5.755     2.877     2.245 peak  2110 weight  1.00000E+00 volume  4.33500E+03 ppm1      2.885 ppm2      8.485

 ASSI { 2111}
   (( segid "   A" and resid 80   and name  HN  ))
   (( segid "   A" and resid 80   and name  HB2 ))
      3.854     1.927     1.927 peak  2111 weight  1.00000E+00 volume  1.13971E+04 ppm1      2.882 ppm2      9.036

 ASSI { 2112}
   (( segid "   A" and resid 91   and name  HN  ))
   (( segid "   A" and resid 81   and name  HA  ))
      4.345     2.172     2.172 peak  2112 weight  1.00000E+00 volume  1.69794E+04 ppm1      4.433 ppm2      8.931

 ASSI { 2113}
   (( segid "   A" and resid 81   and name  HN  ))
   (( segid "   A" and resid 81   and name  HA  ))
      4.289     2.144     2.144 peak  2113 weight  1.00000E+00 volume  6.16138E+03 ppm1      4.444 ppm2      8.484

 ASSI { 2114}
   (  segid "   A" and resid 82   and name  HD# )
   (( segid "   A" and resid 81   and name  HA  ))
      4.495     2.248     2.248 peak  2114 weight  1.00000E+00 volume  5.08962E+03 ppm1      4.427 ppm2      6.995

 ASSI { 2115}
   (( segid "   A" and resid 92   and name  HA  ))
   (( segid "   A" and resid 81   and name  HA  ))
      3.976     1.988     1.988 peak  2115 weight  1.00000E+00 volume  7.15675E+03 ppm1      4.433 ppm2      5.591

 ASSI { 2116}
   (( segid "   A" and resid 81   and name  HA  ))
   (( segid "   A" and resid 81   and name  HB  ))
      3.495     1.747     1.747 peak  2116 weight  1.00000E+00 volume  7.32438E+03 ppm1      4.436 ppm2      2.040

 ASSI { 2117}
   (  segid "   A" and resid 81   and name  HG1#)
   (( segid "   A" and resid 81   and name  HA  ))
      2.855     1.135     1.427 peak  2117 weight  1.00000E+00 volume  8.73609E+04 ppm1      4.435 ppm2      0.716

 ASSI { 2118}
   (  segid "   A" and resid 81   and name  HG1#)
   (( segid "   A" and resid 81   and name  HB  ))
      2.997     1.277     1.499 peak  2118 weight  1.00000E+00 volume  5.14995E+04 ppm1      2.038 ppm2      0.716

 ASSI { 2119}
   (  segid "   A" and resid 73   and name  HD2#)
   (( segid "   A" and resid 81   and name  HB  ))
      4.031     2.015     2.015 peak  2119 weight  1.00000E+00 volume  2.13414E+05 ppm1      2.035 ppm2      0.950

 ASSI { 2120}
   (( segid "   A" and resid 81   and name  HA  ))
   (( segid "   A" and resid 81   and name  HB  ))
      3.227     1.507     1.613 peak  2120 weight  1.00000E+00 volume  8.10799E+05 ppm1      2.039 ppm2      4.435

 ASSI { 2121}
   (( segid "   A" and resid 74   and name  HN  ))
   (( segid "   A" and resid 81   and name  HB  ))
      3.534     1.767     1.767 peak  2121 weight  1.00000E+00 volume  -4.70252E+05 ppm1      2.042 ppm2      6.318

 ASSI { 2122}
   (( segid "   A" and resid 81   and name  HN  ))
   (( segid "   A" and resid 81   and name  HB  ))
      3.070     1.350     1.535 peak  2122 weight  1.00000E+00 volume  1.09284E+06 ppm1      2.043 ppm2      8.493

 ASSI { 2124}
   (( segid "   A" and resid 82   and name  HN  ))
   (  segid "   A" and resid 81   and name  HG1#)
      2.831     1.111     1.416 peak  2124 weight  1.00000E+00 volume  1.77719E+06 ppm1      0.712 ppm2      9.061

 ASSI { 2126}
   (( segid "   A" and resid 81   and name  HN  ))
   (  segid "   A" and resid 81   and name  HG1#)
      2.750     1.030     1.375 peak  2126 weight  1.00000E+00 volume  2.11583E+06 ppm1      0.715 ppm2      8.484

 ASSI { 2127}
   (  segid "   A" and resid 81   and name  HG1#)
   (  segid "   A" and resid 74   and name  HE# )
      2.541     0.821     1.271 peak  2127 weight  1.00000E+00 volume  3.40026E+06 ppm1      0.711 ppm2      6.600

 ASSI { 2128}
   (  segid "   A" and resid 81   and name  HG1#)
   (( segid "   A" and resid 74   and name  HN  ))
      3.345     1.625     1.673 peak  2128 weight  1.00000E+00 volume  2.59944E+04 ppm1      0.715 ppm2      6.316

 ASSI { 2129}
   (( segid "   A" and resid 92   and name  HA  ))
   (  segid "   A" and resid 81   and name  HG1#)
      3.467     1.733     1.733 peak  2129 weight  1.00000E+00 volume  5.43155E+04 ppm1      0.715 ppm2      5.595

 ASSI { 2130}
   (( segid "   A" and resid 90   and name  HA  ))
   (  segid "   A" and resid 81   and name  HG1#)
      8.000     4.000     0.000 peak  2130 weight  1.00000E+00 volume  5.32438E+03 ppm1      0.717 ppm2      5.444

 ASSI { 2133}
   (  segid "   A" and resid 81   and name  HG1#)
   (( segid "   A" and resid 80   and name  HA  ))
      2.995     1.275     1.498 peak  2133 weight  1.00000E+00 volume  9.96645E+04 ppm1      0.718 ppm2      4.542

 ASSI { 2134}
   (  segid "   A" and resid 81   and name  HG1#)
   (( segid "   A" and resid 81   and name  HA  ))
      2.567     0.847     1.283 peak  2134 weight  1.00000E+00 volume  3.20302E+06 ppm1      0.716 ppm2      4.438

 ASSI { 2135}
   (  segid "   A" and resid 81   and name  HG1#)
   (( segid "   A" and resid 76   and name  HB1 ))
      3.819     1.910     1.910 peak  2135 weight  1.00000E+00 volume  2.94910E+05 ppm1      0.716 ppm2      2.710

 ASSI { 2136}
   (  segid "   A" and resid 81   and name  HG1#)
   (( segid "   A" and resid 76   and name  HB2 ))
      3.362     1.642     1.681 peak  2136 weight  1.00000E+00 volume  3.69885E+04 ppm1      0.716 ppm2      2.373

 ASSI { 2137}
   (( segid "   A" and resid 82   and name  HA  ))
   (( segid "   A" and resid 70   and name  HB2 ))
      4.197     2.098     2.098 peak  2137 weight  1.00000E+00 volume  -5.37875E+02 ppm1      5.342 ppm2      1.609

 ASSI { 2138}
   (( segid "   A" and resid 82   and name  HA  ))
   (( segid "   A" and resid 70   and name  HB1 ))
      3.773     1.886     1.886 peak  2138 weight  1.00000E+00 volume  7.79175E+03 ppm1      5.345 ppm2      1.798

 ASSI { 2139}
   (( segid "   A" and resid 82   and name  HA  ))
   (( segid "   A" and resid 82   and name  HB2 ))
      4.204     2.102     2.102 peak  2139 weight  1.00000E+00 volume  9.68088E+03 ppm1      5.341 ppm2      2.914

 ASSI { 2140}
   (( segid "   A" and resid 82   and name  HA  ))
   (( segid "   A" and resid 82   and name  HB1 ))
      4.686     2.343     2.343 peak  2140 weight  1.00000E+00 volume  7.34788E+03 ppm1      5.337 ppm2      2.973

 ASSI { 2141}
   (( segid "   A" and resid 82   and name  HA  ))
   (( segid "   A" and resid 72   and name  HA  ))
      3.861     1.930     1.930 peak  2141 weight  1.00000E+00 volume  1.88008E+04 ppm1      5.329 ppm2      4.120

 ASSI { 2142}
   (  segid "   A" and resid 82   and name  HD# )
   (( segid "   A" and resid 82   and name  HA  ))
      3.854     1.927     1.927 peak  2142 weight  1.00000E+00 volume  1.21556E+04 ppm1      5.338 ppm2      6.995

 ASSI { 2143}
   (( segid "   A" and resid 73   and name  HN  ))
   (( segid "   A" and resid 82   and name  HA  ))
      3.426     1.706     1.713 peak  2143 weight  1.00000E+00 volume  5.66344E+05 ppm1      5.348 ppm2      8.787

 ASSI { 2144}
   (( segid "   A" and resid 82   and name  HN  ))
   (( segid "   A" and resid 82   and name  HA  ))
      3.718     1.859     1.859 peak  2144 weight  1.00000E+00 volume  3.46332E+05 ppm1      5.335 ppm2      9.058

 ASSI { 2145}
   (( segid "   A" and resid 83   and name  HN  ))
   (( segid "   A" and resid 82   and name  HB2 ))
      4.365     2.183     2.183 peak  2145 weight  1.00000E+00 volume  9.35550E+03 ppm1      2.904 ppm2      9.325

 ASSI { 2146}
   (( segid "   A" and resid 83   and name  HN  ))
   (( segid "   A" and resid 82   and name  HB1 ))
      4.397     2.199     2.199 peak  2146 weight  1.00000E+00 volume  1.16309E+04 ppm1      2.970 ppm2      9.324

 ASSI { 2147}
   (( segid "   A" and resid 82   and name  HN  ))
   (( segid "   A" and resid 82   and name  HB1 ))
      4.725     2.363     2.363 peak  2147 weight  1.00000E+00 volume  2.31294E+04 ppm1      2.971 ppm2      9.059

 ASSI { 2148}
   (( segid "   A" and resid 91   and name  HN  ))
   (( segid "   A" and resid 82   and name  HB1 ))
      5.059     2.530     2.530 peak  2148 weight  1.00000E+00 volume  5.51825E+03 ppm1      2.964 ppm2      8.930

 ASSI { 2149}
   (  segid "   A" and resid 82   and name  HD# )
   (( segid "   A" and resid 82   and name  HB1 ))
      3.379     1.659     1.689 peak  2149 weight  1.00000E+00 volume  1.28490E+04 ppm1      2.970 ppm2      6.996

 ASSI { 2151}
   (( segid "   A" and resid 82   and name  HA  ))
   (( segid "   A" and resid 82   and name  HB2 ))
      3.993     1.996     1.996 peak  2151 weight  1.00000E+00 volume  7.69550E+03 ppm1      2.906 ppm2      5.349

 ASSI { 2152}
   (( segid "   A" and resid 82   and name  HA  ))
   (( segid "   A" and resid 82   and name  HB1 ))
      3.652     1.826     1.826 peak  2152 weight  1.00000E+00 volume  1.25411E+04 ppm1      2.971 ppm2      5.347

 ASSI { 2153}
   (( segid "   A" and resid 70   and name  HB1 ))
   (( segid "   A" and resid 82   and name  HB1 ))
      3.138     1.418     1.569 peak  2153 weight  1.00000E+00 volume  1.29919E+04 ppm1      2.971 ppm2      1.801

 ASSI { 2156}
   (  segid "   A" and resid 91   and name  HG2#)
   (( segid "   A" and resid 82   and name  HB2 ))
      3.967     1.983     1.983 peak  2156 weight  1.00000E+00 volume  2.35000E+05 ppm1      2.912 ppm2      0.965

 ASSI { 2160}
   (( segid "   A" and resid 83   and name  HA  ))
   (( segid "   A" and resid 83   and name  HB2 ))
      3.025     1.305     1.512 peak  2160 weight  1.00000E+00 volume  1.19496E+06 ppm1      5.158 ppm2      2.004

 ASSI { 2162}
   (( segid "   A" and resid 91   and name  HN  ))
   (( segid "   A" and resid 83   and name  HA  ))
      3.368     1.648     1.684 peak  2162 weight  1.00000E+00 volume  3.01372E+04 ppm1      5.167 ppm2      8.931

 ASSI { 2163}
   (( segid "   A" and resid 83   and name  HN  ))
   (( segid "   A" and resid 83   and name  HA  ))
      4.268     2.134     2.134 peak  2163 weight  1.00000E+00 volume  9.74238E+03 ppm1      5.168 ppm2      9.323

 ASSI { 2164}
   (( segid "   A" and resid 83   and name  HN  ))
   (( segid "   A" and resid 83   and name  HB2 ))
      4.177     2.088     2.088 peak  2164 weight  1.00000E+00 volume  1.72430E+05 ppm1      2.000 ppm2      9.321

 ASSI { 2165}
   (( segid "   A" and resid 71   and name  HN  ))
   (( segid "   A" and resid 83   and name  HB2 ))
      3.597     1.799     1.799 peak  2165 weight  1.00000E+00 volume  4.22639E+05 ppm1      2.002 ppm2      9.080

 ASSI { 2166}
   (( segid "   A" and resid 83   and name  HA  ))
   (( segid "   A" and resid 83   and name  HB2 ))
      3.068     1.348     1.534 peak  2166 weight  1.00000E+00 volume  1.09854E+06 ppm1      1.999 ppm2      5.169

 ASSI { 2169}
   (  segid "   A" and resid 73   and name  HD1#)
   (( segid "   A" and resid 83   and name  HB2 ))
      3.993     1.996     1.996 peak  2169 weight  1.00000E+00 volume  9.61612E+03 ppm1      1.994 ppm2      1.136

 ASSI { 2170}
   (  segid "   A" and resid 73   and name  HD2#)
   (( segid "   A" and resid 83   and name  HB2 ))
      2.794     1.074     1.397 peak  2170 weight  1.00000E+00 volume  1.12112E+05 ppm1      2.000 ppm2      0.946

 ASSI { 2172}
   (( segid "   A" and resid 84   and name  HB2 ))
   (( segid "   A" and resid 87   and name  HN  ))
      4.335     2.168     2.168 peak  2172 weight  1.00000E+00 volume  1.10682E+04 ppm1      2.513 ppm2      8.072

 ASSI { 2173}
   (( segid "   A" and resid 88   and name  HN  ))
   (( segid "   A" and resid 84   and name  HB2 ))
      3.979     1.989     1.989 peak  2173 weight  1.00000E+00 volume  2.30847E+05 ppm1      2.509 ppm2      7.937

 ASSI { 2174}
   (( segid "   A" and resid 89   and name  HN  ))
   (( segid "   A" and resid 84   and name  HB2 ))
      4.052     2.026     2.026 peak  2174 weight  1.00000E+00 volume  2.06828E+05 ppm1      2.512 ppm2      7.662

 ASSI { 2175}
   (( segid "   A" and resid 84   and name  HB2 ))
   (  segid "   A" and resid 88   and name  HD# )
      5.378     2.689     2.622 peak  2175 weight  1.00000E+00 volume  9.75600E+03 ppm1      2.508 ppm2      7.184

 ASSI { 2176}
   (( segid "   A" and resid 70   and name  HA  ))
   (( segid "   A" and resid 84   and name  HB2 ))
      3.920     1.960     1.960 peak  2176 weight  1.00000E+00 volume  1.39416E+04 ppm1      2.517 ppm2      5.174

 ASSI { 2177}
   (( segid "   A" and resid 84   and name  HB2 ))
   (( segid "   A" and resid 84   and name  HA  ))
      2.754     1.034     1.377 peak  2177 weight  1.00000E+00 volume  6.42424E+04 ppm1      2.516 ppm2      4.667

 ASSI { 2178}
   (( segid "   A" and resid 84   and name  HB2 ))
   (( segid "   A" and resid 88   and name  HA  ))
      4.404     2.202     2.202 peak  2178 weight  1.00000E+00 volume  1.25434E+05 ppm1      2.521 ppm2      4.423

 ASSI { 2179}
   (( segid "   A" and resid 89   and name  HA  ))
   (( segid "   A" and resid 84   and name  HB2 ))
      3.670     1.835     1.835 peak  2179 weight  1.00000E+00 volume  3.74404E+05 ppm1      2.523 ppm2      4.351

 ASSI { 2180}
   (( segid "   A" and resid 84   and name  HB2 ))
   (( segid "   A" and resid 88   and name  HB1 ))
      5.314     2.657     2.657 peak  2180 weight  1.00000E+00 volume  -4.06611E+04 ppm1      2.509 ppm2      3.345

 ASSI { 2181}
   (( segid "   A" and resid 84   and name  HB2 ))
   (( segid "   A" and resid 70   and name  HB2 ))
      5.156     2.578     2.578 peak  2181 weight  1.00000E+00 volume  4.87220E+04 ppm1      2.516 ppm2      1.613

 ASSI { 2183}
   (( segid "   A" and resid 85   and name  HB2 ))
   (( segid "   A" and resid 85   and name  HA  ))
      4.501     2.250     2.250 peak  2183 weight  1.00000E+00 volume  1.12532E+04 ppm1      4.324 ppm2      2.631

 ASSI { 2184}
   (( segid "   A" and resid 85   and name  HB1 ))
   (( segid "   A" and resid 85   and name  HA  ))
      3.357     1.637     1.679 peak  2184 weight  1.00000E+00 volume  6.39512E+05 ppm1      4.324 ppm2      2.792

 ASSI { 2185}
   (( segid "   A" and resid 85   and name  HN  ))
   (( segid "   A" and resid 85   and name  HA  ))
      3.677     1.839     1.839 peak  2185 weight  1.00000E+00 volume  3.70382E+05 ppm1      4.331 ppm2      8.680

 ASSI { 2186}
   (( segid "   A" and resid 86   and name  HN  ))
   (( segid "   A" and resid 85   and name  HA  ))
      3.546     1.773     1.773 peak  2186 weight  1.00000E+00 volume  6.21362E+03 ppm1      4.333 ppm2      8.706

 ASSI { 2187}
   (( segid "   A" and resid 85   and name  HN  ))
   (( segid "   A" and resid 85   and name  HB2 ))
      4.120     2.060     2.060 peak  2187 weight  1.00000E+00 volume  2.81505E+04 ppm1      2.636 ppm2      8.691

 ASSI { 2188}
   (( segid "   A" and resid 85   and name  HB2 ))
   (( segid "   A" and resid 85   and name  HA  ))
      3.280     1.560     1.640 peak  2188 weight  1.00000E+00 volume  3.98599E+04 ppm1      2.637 ppm2      4.322

 ASSI { 2189}
   (( segid "   A" and resid 85   and name  HB1 ))
   (( segid "   A" and resid 85   and name  HA  ))
      2.887     1.167     1.444 peak  2189 weight  1.00000E+00 volume  1.57997E+06 ppm1      2.784 ppm2      4.328

 ASSI { 2190}
   (( segid "   A" and resid 85   and name  HN  ))
   (( segid "   A" and resid 85   and name  HB1 ))
      3.997     1.998     1.998 peak  2190 weight  1.00000E+00 volume  2.24665E+05 ppm1      2.790 ppm2      8.690

 ASSI { 2191}
   (( segid "   A" and resid 86   and name  HN  ))
   (( segid "   A" and resid 85   and name  HB1 ))
      3.983     1.991     1.991 peak  2191 weight  1.00000E+00 volume  2.29380E+05 ppm1      2.789 ppm2      8.721

 ASSI { 2192}
   (( segid "   A" and resid 86   and name  HN  ))
   (( segid "   A" and resid 86   and name  HA  ))
      4.374     2.187     2.187 peak  2192 weight  1.00000E+00 volume  1.30666E+05 ppm1      4.205 ppm2      8.718

 ASSI { 2193}
   (( segid "   A" and resid 87   and name  HN  ))
   (( segid "   A" and resid 86   and name  HA  ))
      4.794     2.397     2.397 peak  2193 weight  1.00000E+00 volume  1.45025E+04 ppm1      4.220 ppm2      8.079

 ASSI { 2194}
   (( segid "   A" and resid 86   and name  HB2 ))
   (( segid "   A" and resid 86   and name  HA  ))
      3.401     1.681     1.701 peak  2194 weight  1.00000E+00 volume  3.39122E+04 ppm1      4.198 ppm2      1.966

 ASSI { 2195}
   (( segid "   A" and resid 86   and name  HB2 ))
   (( segid "   A" and resid 86   and name  HA  ))
      2.961     1.241     1.480 peak  2195 weight  1.00000E+00 volume  9.73198E+04 ppm1      1.967 ppm2      4.203

 ASSI { 2196}
   (( segid "   A" and resid 88   and name  HN  ))
   (( segid "   A" and resid 86   and name  HB2 ))
      3.387     1.667     1.694 peak  2196 weight  1.00000E+00 volume  6.05996E+05 ppm1      1.966 ppm2      7.934

 ASSI { 2197}
   (( segid "   A" and resid 87   and name  HN  ))
   (( segid "   A" and resid 86   and name  HB2 ))
      3.443     1.722     1.722 peak  2197 weight  1.00000E+00 volume  5.49586E+05 ppm1      1.965 ppm2      8.072

 ASSI { 2199}
   (( segid "   A" and resid 86   and name  HN  ))
   (( segid "   A" and resid 86   and name  HB2 ))
      3.108     1.388     1.554 peak  2199 weight  1.00000E+00 volume  7.77506E+04 ppm1      1.965 ppm2      8.718

 ASSI { 2200}
   (( segid "   A" and resid 87   and name  HN  ))
   (( segid "   A" and resid 87   and name  HA  ))
      3.356     1.636     1.678 peak  2200 weight  1.00000E+00 volume  6.40769E+05 ppm1      4.312 ppm2      8.074

 ASSI { 2201}
   (( segid "   A" and resid 88   and name  HN  ))
   (( segid "   A" and resid 87   and name  HA  ))
      4.334     2.167     2.167 peak  2201 weight  1.00000E+00 volume  1.38213E+05 ppm1      4.314 ppm2      7.935

 ASSI { 2202}
   (( segid "   A" and resid 87   and name  HB2 ))
   (( segid "   A" and resid 87   and name  HA  ))
      3.125     1.405     1.563 peak  2202 weight  1.00000E+00 volume  9.82688E+05 ppm1      4.308 ppm2      3.668

 ASSI { 2203}
   (( segid "   A" and resid 87   and name  HB2 ))
   (( segid "   A" and resid 87   and name  HA  ))
      2.924     1.204     1.462 peak  2203 weight  1.00000E+00 volume  1.46515E+06 ppm1      3.675 ppm2      4.315

 ASSI { 2204}
   (( segid "   A" and resid 88   and name  HN  ))
   (( segid "   A" and resid 87   and name  HB2 ))
      4.221     2.110     2.110 peak  2204 weight  1.00000E+00 volume  8.65162E+03 ppm1      3.671 ppm2      7.926

 ASSI { 2205}
   (( segid "   A" and resid 88   and name  HA  ))
   (( segid "   A" and resid 90   and name  HN  ))
      4.525     2.262     2.262 peak  2205 weight  1.00000E+00 volume  7.60475E+03 ppm1      4.422 ppm2      8.723

 ASSI { 2206}
   (( segid "   A" and resid 88   and name  HN  ))
   (( segid "   A" and resid 88   and name  HA  ))
      3.437     1.717     1.718 peak  2206 weight  1.00000E+00 volume  3.23364E+04 ppm1      4.422 ppm2      7.934

 ASSI { 2207}
   (( segid "   A" and resid 89   and name  HN  ))
   (( segid "   A" and resid 88   and name  HA  ))
      5.478     2.739     2.522 peak  2207 weight  1.00000E+00 volume  1.68945E+04 ppm1      4.420 ppm2      7.660

 ASSI { 2208}
   (( segid "   A" and resid 88   and name  HA  ))
   (  segid "   A" and resid 88   and name  HD# )
      3.502     1.751     1.751 peak  2208 weight  1.00000E+00 volume  4.96172E+05 ppm1      4.422 ppm2      7.183

 ASSI { 2209}
   (( segid "   A" and resid 88   and name  HA  ))
   (( segid "   A" and resid 88   and name  HB2 ))
      3.748     1.874     1.874 peak  2209 weight  1.00000E+00 volume  3.30117E+05 ppm1      4.421 ppm2      3.459

 ASSI { 2210}
   (( segid "   A" and resid 88   and name  HA  ))
   (( segid "   A" and resid 88   and name  HB1 ))
      3.457     1.728     1.728 peak  2210 weight  1.00000E+00 volume  2.23145E+04 ppm1      4.425 ppm2      3.349

 ASSI { 2211}
   (( segid "   A" and resid 88   and name  HB2 ))
   (( segid "   A" and resid 88   and name  HB1 ))
      2.687     0.967     1.343 peak  2211 weight  1.00000E+00 volume  9.97130E+04 ppm1      3.349 ppm2      3.461

 ASSI { 2212}
   (( segid "   A" and resid 88   and name  HN  ))
   (( segid "   A" and resid 88   and name  HB1 ))
      4.376     2.188     2.188 peak  2212 weight  1.00000E+00 volume  1.30369E+05 ppm1      3.343 ppm2      7.939

 ASSI { 2213}
   (( segid "   A" and resid 88   and name  HN  ))
   (( segid "   A" and resid 88   and name  HB2 ))
      4.331     2.166     2.166 peak  2213 weight  1.00000E+00 volume  1.38658E+05 ppm1      3.459 ppm2      7.934

 ASSI { 2215}
   (( segid "   A" and resid 89   and name  HA  ))
   (( segid "   A" and resid 90   and name  HN  ))
      3.214     1.494     1.607 peak  2215 weight  1.00000E+00 volume  8.30483E+05 ppm1      4.356 ppm2      8.726

 ASSI { 2216}
   (( segid "   A" and resid 84   and name  HN  ))
   (( segid "   A" and resid 89   and name  HA  ))
      3.297     1.577     1.649 peak  2216 weight  1.00000E+00 volume  7.12596E+05 ppm1      4.356 ppm2      8.684

 ASSI { 2217}
   (( segid "   A" and resid 89   and name  HN  ))
   (( segid "   A" and resid 89   and name  HA  ))
      3.399     1.679     1.699 peak  2217 weight  1.00000E+00 volume  5.94162E+05 ppm1      4.349 ppm2      7.660

 ASSI { 2218}
   (( segid "   A" and resid 83   and name  HA  ))
   (( segid "   A" and resid 89   and name  HA  ))
      4.128     2.064     2.064 peak  2218 weight  1.00000E+00 volume  -1.85085E+05 ppm1      4.354 ppm2      5.169

 ASSI { 2219}
   (( segid "   A" and resid 89   and name  HA  ))
   (( segid "   A" and resid 84   and name  HB2 ))
      4.833     2.417     2.417 peak  2219 weight  1.00000E+00 volume  2.77950E+04 ppm1      4.347 ppm2      2.519

 ASSI { 2220}
   (( segid "   A" and resid 89   and name  HA  ))
   (( segid "   A" and resid 89   and name  HG2 ))
      3.370     1.650     1.685 peak  2220 weight  1.00000E+00 volume  6.72842E+04 ppm1      4.353 ppm2      2.257

 ASSI { 2221}
   (( segid "   A" and resid 89   and name  HA  ))
   (( segid "   A" and resid 89   and name  HB2 ))
      2.902     1.182     1.451 peak  2221 weight  1.00000E+00 volume  7.16399E+04 ppm1      4.351 ppm2      1.998

 ASSI { 2222}
   (( segid "   A" and resid 89   and name  HA  ))
   (( segid "   A" and resid 89   and name  HB2 ))
      2.902     1.182     1.451 peak  2222 weight  1.00000E+00 volume  1.53406E+06 ppm1      4.351 ppm2      2.003

 ASSI { 2223}
   (( segid "   A" and resid 89   and name  HA  ))
   (( segid "   A" and resid 89   and name  HB1 ))
      2.651     0.931     1.326 peak  2223 weight  1.00000E+00 volume  2.63700E+06 ppm1      4.348 ppm2      1.811

 ASSI { 2225}
   (( segid "   A" and resid 89   and name  HA  ))
   (( segid "   A" and resid 89   and name  HB1 ))
      3.031     1.311     1.516 peak  2225 weight  1.00000E+00 volume  1.18056E+06 ppm1      1.806 ppm2      4.354

 ASSI { 2226}
   (( segid "   A" and resid 89   and name  HA  ))
   (( segid "   A" and resid 89   and name  HB2 ))
      2.988     1.268     1.494 peak  2226 weight  1.00000E+00 volume  1.28551E+06 ppm1      2.000 ppm2      4.352

 ASSI { 2230}
   (( segid "   A" and resid 89   and name  HN  ))
   (( segid "   A" and resid 89   and name  HB1 ))
      3.295     1.575     1.648 peak  2230 weight  1.00000E+00 volume  2.34330E+04 ppm1      1.802 ppm2      7.663

 ASSI { 2231}
   (( segid "   A" and resid 89   and name  HN  ))
   (( segid "   A" and resid 89   and name  HB2 ))
      4.154     2.077     2.077 peak  2231 weight  1.00000E+00 volume  2.87608E+04 ppm1      1.989 ppm2      7.661

 ASSI { 2232}
   (( segid "   A" and resid 89   and name  HB1 ))
   (( segid "   A" and resid 90   and name  HN  ))
      3.364     1.644     1.682 peak  2232 weight  1.00000E+00 volume  1.85829E+04 ppm1      1.804 ppm2      8.726

 ASSI { 2233}
   (( segid "   A" and resid 89   and name  HB2 ))
   (( segid "   A" and resid 90   and name  HN  ))
      3.120     1.400     1.560 peak  2233 weight  1.00000E+00 volume  9.91695E+05 ppm1      1.998 ppm2      8.725

 ASSI { 2234}
   (( segid "   A" and resid 90   and name  HA  ))
   (( segid "   A" and resid 90   and name  HN  ))
      3.561     1.780     1.780 peak  2234 weight  1.00000E+00 volume  4.49306E+05 ppm1      5.440 ppm2      8.725

 ASSI { 2235}
   (( segid "   A" and resid 83   and name  HA  ))
   (( segid "   A" and resid 90   and name  HA  ))
      3.052     1.332     1.526 peak  2235 weight  1.00000E+00 volume  6.69190E+04 ppm1      5.446 ppm2      5.165

 ASSI { 2237}
   (( segid "   A" and resid 90   and name  HB2 ))
   (( segid "   A" and resid 90   and name  HA  ))
      3.022     1.302     1.511 peak  2237 weight  1.00000E+00 volume  1.20173E+06 ppm1      5.441 ppm2      1.948

 ASSI { 2239}
   (( segid "   A" and resid 90   and name  HB2 ))
   (( segid "   A" and resid 90   and name  HA  ))
      3.683     1.841     1.841 peak  2239 weight  1.00000E+00 volume  3.66849E+05 ppm1      1.949 ppm2      5.441

 ASSI { 2240}
   (( segid "   A" and resid 90   and name  HB2 ))
   (( segid "   A" and resid 90   and name  HN  ))
      3.040     1.320     1.520 peak  2240 weight  1.00000E+00 volume  1.15962E+06 ppm1      1.952 ppm2      8.726

 ASSI { 2241}
   (( segid "   A" and resid 91   and name  HN  ))
   (( segid "   A" and resid 90   and name  HB2 ))
      3.281     1.561     1.641 peak  2241 weight  1.00000E+00 volume  7.33707E+05 ppm1      1.953 ppm2      8.933

 ASSI { 2242}
   (( segid "   A" and resid 91   and name  HB  ))
   (( segid "   A" and resid 82   and name  HB2 ))
      4.490     2.245     2.245 peak  2242 weight  1.00000E+00 volume  1.11732E+05 ppm1      3.748 ppm2      2.911

 ASSI { 2243}
   (( segid "   A" and resid 82   and name  HN  ))
   (( segid "   A" and resid 91   and name  HB  ))
      3.337     1.617     1.669 peak  2243 weight  1.00000E+00 volume  6.63005E+05 ppm1      3.758 ppm2      9.060

 ASSI { 2244}
   (( segid "   A" and resid 82   and name  HN  ))
   (( segid "   A" and resid 92   and name  HA  ))
      3.504     1.752     1.752 peak  2244 weight  1.00000E+00 volume  4.95010E+05 ppm1      5.581 ppm2      9.061

 ASSI { 2245}
   (( segid "   A" and resid 92   and name  HA  ))
   (( segid "   A" and resid 92   and name  HN  ))
      4.419     2.210     2.210 peak  2245 weight  1.00000E+00 volume  1.22946E+05 ppm1      5.591 ppm2      8.259

 ASSI { 2246}
   (( segid "   A" and resid 92   and name  HA  ))
   (( segid "   A" and resid 81   and name  HA  ))
      3.121     1.401     1.561 peak  2246 weight  1.00000E+00 volume  9.89697E+05 ppm1      5.591 ppm2      4.435

 ASSI { 2247}
   (( segid "   A" and resid 92   and name  HA  ))
   (( segid "   A" and resid 92   and name  HB2 ))
      3.485     1.742     1.742 peak  2247 weight  1.00000E+00 volume  4.49310E+04 ppm1      5.591 ppm2      1.896

 ASSI { 2248}
   (( segid "   A" and resid 93   and name  HB1 ))
   (( segid "   A" and resid 92   and name  HA  ))
      4.264     2.132     2.132 peak  2248 weight  1.00000E+00 volume  1.13099E+04 ppm1      5.590 ppm2      1.681

 ASSI { 2249}
   (( segid "   A" and resid 93   and name  HB2 ))
   (( segid "   A" and resid 92   and name  HA  ))
      3.933     1.966     1.966 peak  2249 weight  1.00000E+00 volume  2.47535E+05 ppm1      5.594 ppm2      1.555

 ASSI { 2250}
   (( segid "   A" and resid 92   and name  HA  ))
   (  segid "   A" and resid 91   and name  HG2#)
      3.872     1.936     1.936 peak  2250 weight  1.00000E+00 volume  2.71808E+05 ppm1      5.590 ppm2      0.968

 ASSI { 2251}
   (( segid "   A" and resid 92   and name  HA  ))
   (( segid "   A" and resid 92   and name  HB2 ))
      4.461     2.231     2.231 peak  2251 weight  1.00000E+00 volume  -1.16101E+05 ppm1      1.891 ppm2      5.598

 ASSI { 2252}
   (( segid "   A" and resid 92   and name  HN  ))
   (( segid "   A" and resid 92   and name  HB2 ))
      4.402     2.201     2.201 peak  2252 weight  1.00000E+00 volume  -1.25877E+05 ppm1      1.885 ppm2      8.255

 ASSI { 2253}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 92   and name  HB2 ))
      3.750     1.875     1.875 peak  2253 weight  1.00000E+00 volume  3.29435E+05 ppm1      1.898 ppm2      9.248

 ASSI { 2254}
   (( segid "   A" and resid 92   and name  HG2 ))
   (  segid "   A" and resid 91   and name  HG2#)
      3.546     1.773     1.773 peak  2254 weight  1.00000E+00 volume  4.60290E+05 ppm1      2.146 ppm2      0.963

 ASSI { 2255}
   (( segid "   A" and resid 92   and name  HG2 ))
   (( segid "   A" and resid 92   and name  HA  ))
      3.634     1.817     1.817 peak  2255 weight  1.00000E+00 volume  3.97498E+05 ppm1      2.149 ppm2      5.594

 ASSI { 2256}
   (( segid "   A" and resid 92   and name  HG2 ))
   (( segid "   A" and resid 92   and name  HN  ))
      5.075     2.538     2.538 peak  2256 weight  1.00000E+00 volume  3.03535E+04 ppm1      2.161 ppm2      8.256

 ASSI { 2257}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 93   and name  HA  ))
      4.606     2.303     2.303 peak  2257 weight  1.00000E+00 volume  1.08964E+04 ppm1      4.846 ppm2      9.256

 ASSI { 2258}
   (( segid "   A" and resid 93   and name  HA  ))
   (( segid "   A" and resid 93   and name  HB1 ))
      3.279     1.559     1.639 peak  2258 weight  1.00000E+00 volume  5.29395E+04 ppm1      4.845 ppm2      1.675

 ASSI { 2259}
   (  segid "   A" and resid 98   and name  HD1#)
   (( segid "   A" and resid 93   and name  HB2 ))
      3.266     1.546     1.633 peak  2259 weight  1.00000E+00 volume  7.54540E+05 ppm1      1.556 ppm2      0.669

 ASSI { 2260}
   (( segid "   A" and resid 93   and name  HB1 ))
   (( segid "   A" and resid 80   and name  HB2 ))
      4.525     2.263     2.263 peak  2260 weight  1.00000E+00 volume  1.06606E+05 ppm1      1.682 ppm2      2.883

 ASSI { 2261}
   (( segid "   A" and resid 93   and name  HB2 ))
   (( segid "   A" and resid 80   and name  HB2 ))
      4.760     2.380     2.380 peak  2261 weight  1.00000E+00 volume  -3.41125E+02 ppm1      1.551 ppm2      2.883

 ASSI { 2262}
   (( segid "   A" and resid 93   and name  HB2 ))
   (( segid "   A" and resid 80   and name  HB1 ))
      4.646     2.323     2.323 peak  2262 weight  1.00000E+00 volume  -8.04125E+02 ppm1      1.552 ppm2      2.948

 ASSI { 2263}
   (( segid "   A" and resid 93   and name  HA  ))
   (( segid "   A" and resid 93   and name  HB2 ))
      3.820     1.910     1.910 peak  2263 weight  1.00000E+00 volume  8.44850E+03 ppm1      1.560 ppm2      4.844

 ASSI { 2264}
   (( segid "   A" and resid 93   and name  HA  ))
   (( segid "   A" and resid 93   and name  HB1 ))
      3.969     1.984     1.984 peak  2264 weight  1.00000E+00 volume  9.17750E+03 ppm1      1.678 ppm2      4.850

 ASSI { 2265}
   (( segid "   A" and resid 93   and name  HB2 ))
   (( segid "   A" and resid 92   and name  HA  ))
      5.121     2.561     2.561 peak  2265 weight  1.00000E+00 volume  -1.18250E+02 ppm1      1.554 ppm2      5.598

 ASSI { 2266}
   (( segid "   A" and resid 93   and name  HB1 ))
   (( segid "   A" and resid 92   and name  HA  ))
      4.236     2.118     2.118 peak  2266 weight  1.00000E+00 volume  5.52238E+03 ppm1      1.676 ppm2      5.595

 ASSI { 2267}
   (( segid "   A" and resid 93   and name  HB2 ))
   (  segid "   A" and resid 82   and name  HD# )
      4.009     2.004     2.004 peak  2267 weight  1.00000E+00 volume  2.20636E+05 ppm1      1.556 ppm2      6.992

 ASSI { 2268}
   (( segid "   A" and resid 93   and name  HB1 ))
   (  segid "   A" and resid 82   and name  HD# )
      4.180     2.090     2.090 peak  2268 weight  1.00000E+00 volume  1.71675E+05 ppm1      1.679 ppm2      6.996

 ASSI { 2269}
   (( segid "   A" and resid 94   and name  HN  ))
   (( segid "   A" and resid 93   and name  HB2 ))
      4.427     2.213     2.213 peak  2269 weight  1.00000E+00 volume  1.21678E+05 ppm1      1.556 ppm2      8.492

 ASSI { 2270}
   (( segid "   A" and resid 94   and name  HN  ))
   (( segid "   A" and resid 93   and name  HB1 ))
      4.507     2.253     2.253 peak  2270 weight  1.00000E+00 volume  1.09271E+05 ppm1      1.679 ppm2      8.494

 ASSI { 2271}
   (( segid "   A" and resid 80   and name  HN  ))
   (( segid "   A" and resid 93   and name  HB1 ))
      4.503     2.251     2.251 peak  2271 weight  1.00000E+00 volume  1.09857E+05 ppm1      1.681 ppm2      9.035

 ASSI { 2272}
   (( segid "   A" and resid 80   and name  HN  ))
   (( segid "   A" and resid 93   and name  HB2 ))
      4.113     2.057     2.057 peak  2272 weight  1.00000E+00 volume  1.89016E+05 ppm1      1.555 ppm2      9.036

 ASSI { 2273}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 93   and name  HB1 ))
      4.307     2.154     2.154 peak  2273 weight  1.00000E+00 volume  4.37225E+03 ppm1      1.676 ppm2      9.251

 ASSI { 2274}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 93   and name  HB2 ))
      3.808     1.904     1.904 peak  2274 weight  1.00000E+00 volume  3.00253E+05 ppm1      1.552 ppm2      9.252

 ASSI { 2275}
   (( segid "   A" and resid 94   and name  HN  ))
   (( segid "   A" and resid 94   and name  HA  ))
      4.005     2.003     2.003 peak  2275 weight  1.00000E+00 volume  1.70084E+04 ppm1      5.254 ppm2      8.488

 ASSI { 2276}
   (  segid "   A" and resid 93   and name  HD1#)
   (( segid "   A" and resid 94   and name  HA  ))
      5.278     2.639     2.639 peak  2276 weight  1.00000E+00 volume  4.28638E+03 ppm1      5.258 ppm2      0.554

 ASSI { 2277}
   (( segid "   A" and resid 94   and name  HB2 ))
   (  segid "   A" and resid 93   and name  HD1#)
      4.177     2.089     2.089 peak  2277 weight  1.00000E+00 volume  2.02224E+04 ppm1      4.039 ppm2      0.558

 ASSI { 2278}
   (( segid "   A" and resid 94   and name  HB2 ))
   (( segid "   A" and resid 96   and name  HB2 ))
      4.064     2.032     2.032 peak  2278 weight  1.00000E+00 volume  9.77725E+03 ppm1      4.051 ppm2      2.467

 ASSI { 2279}
   (( segid "   A" and resid 97   and name  HN  ))
   (( segid "   A" and resid 94   and name  HB2 ))
      4.192     2.096     2.096 peak  2279 weight  1.00000E+00 volume  6.12250E+03 ppm1      4.035 ppm2      7.885

 ASSI { 2280}
   (( segid "   A" and resid 94   and name  HB2 ))
   (( segid "   A" and resid 96   and name  HN  ))
      4.712     2.356     2.356 peak  2280 weight  1.00000E+00 volume  8.17475E+03 ppm1      4.049 ppm2      8.340

 ASSI { 2281}
   (( segid "   A" and resid 95   and name  HN  ))
   (( segid "   A" and resid 95   and name  HA  ))
      4.513     2.256     2.256 peak  2281 weight  1.00000E+00 volume  1.09808E+04 ppm1      4.621 ppm2      8.763

 ASSI { 2282}
   (( segid "   A" and resid 95   and name  HA  ))
   (( segid "   A" and resid 96   and name  HN  ))
      5.602     2.801     2.398 peak  2282 weight  1.00000E+00 volume  6.46762E+03 ppm1      4.636 ppm2      8.361

 ASSI { 2283}
   (( segid "   A" and resid 99   and name  HN  ))
   (( segid "   A" and resid 95   and name  HA  ))
      4.097     2.049     2.049 peak  2283 weight  1.00000E+00 volume  7.70375E+03 ppm1      4.628 ppm2      7.225

 ASSI { 2285}
   (( segid "   A" and resid 95   and name  HA  ))
   (( segid "   A" and resid 95   and name  HB2 ))
      3.967     1.983     1.983 peak  2285 weight  1.00000E+00 volume  -2.34914E+05 ppm1      4.624 ppm2      4.044

 ASSI { 2286}
   (  segid "   A" and resid 98   and name  HD1#)
   (( segid "   A" and resid 95   and name  HA  ))
      3.719     1.859     1.859 peak  2286 weight  1.00000E+00 volume  3.46060E+05 ppm1      4.619 ppm2      0.675

 ASSI { 2288}
   (( segid "   A" and resid 95   and name  HB2 ))
   (( segid "   A" and resid 78   and name  HB1 ))
      8.000     4.000     0.000 peak  2288 weight  1.00000E+00 volume  1.26040E+04 ppm1      4.044 ppm2      2.542

 ASSI { 2290}
   (( segid "   A" and resid 95   and name  HA  ))
   (( segid "   A" and resid 95   and name  HB2 ))
      2.968     1.248     1.484 peak  2290 weight  1.00000E+00 volume  3.54011E+04 ppm1      4.038 ppm2      4.633

 ASSI { 2292}
   (( segid "   A" and resid 95   and name  HB2 ))
   (( segid "   A" and resid 96   and name  HN  ))
      4.266     2.133     2.133 peak  2292 weight  1.00000E+00 volume  9.05912E+03 ppm1      4.042 ppm2      8.352

 ASSI { 2293}
   (( segid "   A" and resid 95   and name  HN  ))
   (( segid "   A" and resid 95   and name  HB2 ))
      3.331     1.611     1.665 peak  2293 weight  1.00000E+00 volume  3.63305E+04 ppm1      4.044 ppm2      8.761

 ASSI { 2294}
   (( segid "   A" and resid 97   and name  HN  ))
   (( segid "   A" and resid 96   and name  HA  ))
      3.962     1.981     1.981 peak  2294 weight  1.00000E+00 volume  1.84089E+04 ppm1      4.281 ppm2      7.878

 ASSI { 2295}
   (( segid "   A" and resid 96   and name  HA  ))
   (( segid "   A" and resid 95   and name  HB2 ))
      3.209     1.489     1.604 peak  2295 weight  1.00000E+00 volume  3.80332E+04 ppm1      4.284 ppm2      4.040

 ASSI { 2296}
   (( segid "   A" and resid 96   and name  HA  ))
   (( segid "   A" and resid 96   and name  HB2 ))
      2.849     1.129     1.425 peak  2296 weight  1.00000E+00 volume  6.37612E+04 ppm1      4.277 ppm2      2.469

 ASSI { 2297}
   (( segid "   A" and resid 97   and name  HA  ))
   (( segid "   A" and resid 96   and name  HB2 ))
      2.869     1.149     1.435 peak  2297 weight  1.00000E+00 volume  1.06704E+05 ppm1      2.457 ppm2      4.270

 ASSI { 2299}
   (( segid "   A" and resid 97   and name  HA  ))
   (( segid "   A" and resid 100  and name  HN  ))
      7.375     3.687     0.625 peak  2299 weight  1.00000E+00 volume  -5.69175E+03 ppm1      4.260 ppm2      8.539

 ASSI { 2300}
   (( segid "   A" and resid 97   and name  HA  ))
   (( segid "   A" and resid 96   and name  HB2 ))
      3.412     1.692     1.706 peak  2300 weight  1.00000E+00 volume  2.40698E+04 ppm1      4.271 ppm2      2.465

 ASSI { 2301}
   (( segid "   A" and resid 97   and name  HB2 ))
   (  segid "   A" and resid 93   and name  HD1#)
      4.422     2.211     2.211 peak  2301 weight  1.00000E+00 volume  1.22438E+05 ppm1      3.103 ppm2      0.556

 ASSI { 2302}
   (( segid "   A" and resid 97   and name  HB2 ))
   (( segid "   A" and resid 97   and name  HA  ))
      3.145     1.425     1.573 peak  2302 weight  1.00000E+00 volume  9.45444E+05 ppm1      3.097 ppm2      4.276

 ASSI { 2303}
   (( segid "   A" and resid 98   and name  HN  ))
   (( segid "   A" and resid 97   and name  HB2 ))
      3.833     1.917     1.917 peak  2303 weight  1.00000E+00 volume  2.88600E+05 ppm1      3.103 ppm2      7.424

 ASSI { 2304}
   (( segid "   A" and resid 97   and name  HN  ))
   (( segid "   A" and resid 97   and name  HB2 ))
      3.894     1.947     1.947 peak  2304 weight  1.00000E+00 volume  1.11541E+04 ppm1      3.103 ppm2      7.872

 ASSI { 2305}
   (( segid "   A" and resid 101  and name  HN  ))
   (( segid "   A" and resid 98   and name  HA  ))
      3.814     1.907     1.907 peak  2305 weight  1.00000E+00 volume  1.26151E+04 ppm1      4.826 ppm2      8.907

 ASSI { 2306}
   (( segid "   A" and resid 99   and name  HN  ))
   (( segid "   A" and resid 98   and name  HA  ))
      3.698     1.849     1.849 peak  2306 weight  1.00000E+00 volume  2.62401E+04 ppm1      4.829 ppm2      7.220

 ASSI { 2307}
   (( segid "   A" and resid 98   and name  HA  ))
   (( segid "   A" and resid 101  and name  HB2 ))
      3.363     1.643     1.681 peak  2307 weight  1.00000E+00 volume  4.71192E+04 ppm1      4.822 ppm2      2.240

 ASSI { 2308}
   (( segid "   A" and resid 98   and name  HA  ))
   (( segid "   A" and resid 101  and name  HB1 ))
      3.224     1.504     1.612 peak  2308 weight  1.00000E+00 volume  4.70376E+04 ppm1      4.830 ppm2      2.066

 ASSI { 2309}
   (( segid "   A" and resid 98   and name  HA  ))
   (( segid "   A" and resid 98   and name  HB2 ))
      3.290     1.570     1.645 peak  2309 weight  1.00000E+00 volume  6.20272E+04 ppm1      4.832 ppm2      1.597

 ASSI { 2310}
   (( segid "   A" and resid 98   and name  HA  ))
   (  segid "   A" and resid 98   and name  HD1#)
      2.889     1.169     1.444 peak  2310 weight  1.00000E+00 volume  1.57603E+06 ppm1      4.822 ppm2      0.662

 ASSI { 2311}
   (  segid "   A" and resid 98   and name  HD1#)
   (( segid "   A" and resid 98   and name  HB2 ))
      3.498     1.749     1.749 peak  2311 weight  1.00000E+00 volume  8.84450E+03 ppm1      1.601 ppm2      0.665

 ASSI { 2312}
   (( segid "   A" and resid 98   and name  HB2 ))
   (  segid "   A" and resid 93   and name  HD1#)
      5.294     2.647     2.647 peak  2312 weight  1.00000E+00 volume  4.15654E+04 ppm1      1.604 ppm2      0.558

 ASSI { 2313}
   (( segid "   A" and resid 98   and name  HB2 ))
   (( segid "   A" and resid 95   and name  HA  ))
      4.207     2.103     2.103 peak  2313 weight  1.00000E+00 volume  1.65154E+05 ppm1      1.606 ppm2      4.628

 ASSI { 2314}
   (( segid "   A" and resid 98   and name  HA  ))
   (( segid "   A" and resid 98   and name  HB2 ))
      4.443     2.221     2.221 peak  2314 weight  1.00000E+00 volume  1.19073E+05 ppm1      1.600 ppm2      4.833

 ASSI { 2315}
   (( segid "   A" and resid 99   and name  HN  ))
   (( segid "   A" and resid 98   and name  HB2 ))
      4.812     2.406     2.406 peak  2315 weight  1.00000E+00 volume  7.37516E+04 ppm1      1.596 ppm2      7.224

 ASSI { 2316}
   (( segid "   A" and resid 98   and name  HN  ))
   (( segid "   A" and resid 98   and name  HB2 ))
      4.481     2.240     2.240 peak  2316 weight  1.00000E+00 volume  1.13097E+05 ppm1      1.618 ppm2      7.433

 ASSI { 2317}
   (( segid "   A" and resid 99   and name  HA  ))
   (( segid "   A" and resid 100  and name  HN  ))
      5.502     2.751     2.498 peak  2317 weight  1.00000E+00 volume  3.30036E+04 ppm1      3.845 ppm2      8.554

 ASSI { 2318}
   (( segid "   A" and resid 102  and name  HN  ))
   (( segid "   A" and resid 99   and name  HA  ))
      3.986     1.993     1.993 peak  2318 weight  1.00000E+00 volume  2.28221E+05 ppm1      3.851 ppm2      7.927

 ASSI { 2319}
   (( segid "   A" and resid 99   and name  HA  ))
   (( segid "   A" and resid 99   and name  HB2 ))
      2.914     1.194     1.457 peak  2319 weight  1.00000E+00 volume  1.03472E+05 ppm1      3.854 ppm2      1.787

 ASSI { 2322}
   (( segid "   A" and resid 99   and name  HB2 ))
   (( segid "   A" and resid 100  and name  HN  ))
      4.406     2.203     2.203 peak  2322 weight  1.00000E+00 volume  1.25082E+05 ppm1      1.787 ppm2      8.553

 ASSI { 2323}
   (( segid "   A" and resid 99   and name  HN  ))
   (( segid "   A" and resid 99   and name  HG2 ))
      3.622     1.811     1.811 peak  2323 weight  1.00000E+00 volume  4.05628E+05 ppm1      1.416 ppm2      7.224

 ASSI { 2324}
   (( segid "   A" and resid 99   and name  HG2 ))
   (( segid "   A" and resid 95   and name  HB2 ))
      7.661     3.831     0.339 peak  2324 weight  1.00000E+00 volume  1.17412E+04 ppm1      1.422 ppm2      4.045

 ASSI { 2325}
   (( segid "   A" and resid 99   and name  HA  ))
   (( segid "   A" and resid 99   and name  HG2 ))
      3.357     1.637     1.679 peak  2325 weight  1.00000E+00 volume  7.03302E+04 ppm1      1.409 ppm2      3.848

 ASSI { 2327}
   (( segid "   A" and resid 100  and name  HA  ))
   (( segid "   A" and resid 100  and name  HN  ))
      4.363     2.181     2.181 peak  2327 weight  1.00000E+00 volume  1.32767E+05 ppm1      4.006 ppm2      8.548

 ASSI { 2328}
   (( segid "   A" and resid 101  and name  HN  ))
   (( segid "   A" and resid 100  and name  HB2 ))
      3.514     1.757     1.757 peak  2328 weight  1.00000E+00 volume  4.86296E+05 ppm1      1.907 ppm2      8.910

 ASSI { 2329}
   (( segid "   A" and resid 100  and name  HN  ))
   (( segid "   A" and resid 100  and name  HB2 ))
      4.055     2.027     2.027 peak  2329 weight  1.00000E+00 volume  2.06009E+05 ppm1      1.895 ppm2      8.547

 ASSI { 2331}
   (( segid "   A" and resid 100  and name  HA  ))
   (( segid "   A" and resid 100  and name  HB2 ))
      3.654     1.827     1.827 peak  2331 weight  1.00000E+00 volume  4.25654E+04 ppm1      1.905 ppm2      3.994

 ASSI { 2332}
   (( segid "   A" and resid 101  and name  HA  ))
   (( segid "   A" and resid 103  and name  HN  ))
      4.398     2.199     2.199 peak  2332 weight  1.00000E+00 volume  1.18826E+04 ppm1      3.968 ppm2      7.321

 ASSI { 2333}
   (( segid "   A" and resid 101  and name  HN  ))
   (( segid "   A" and resid 101  and name  HB1 ))
      4.033     2.017     2.017 peak  2333 weight  1.00000E+00 volume  2.12622E+05 ppm1      2.070 ppm2      8.905

 ASSI { 2334}
   (( segid "   A" and resid 102  and name  HN  ))
   (( segid "   A" and resid 101  and name  HB1 ))
      5.277     2.638     2.638 peak  2334 weight  1.00000E+00 volume  4.23984E+04 ppm1      2.067 ppm2      7.926

 ASSI { 2335}
   (( segid "   A" and resid 98   and name  HA  ))
   (( segid "   A" and resid 101  and name  HB1 ))
      3.903     1.952     1.952 peak  2335 weight  1.00000E+00 volume  2.58910E+05 ppm1      2.068 ppm2      4.836

 ASSI { 2336}
   (( segid "   A" and resid 101  and name  HA  ))
   (( segid "   A" and resid 101  and name  HB1 ))
      3.253     1.533     1.626 peak  2336 weight  1.00000E+00 volume  7.72687E+05 ppm1      2.071 ppm2      3.965

 ASSI { 2337}
   (( segid "   A" and resid 98   and name  HA  ))
   (( segid "   A" and resid 101  and name  HB2 ))
      4.646     2.323     2.323 peak  2337 weight  1.00000E+00 volume  1.61335E+04 ppm1      2.240 ppm2      4.827

 ASSI { 2341}
   (  segid "   A" and resid 98   and name  HD1#)
   (( segid "   A" and resid 101  and name  HB2 ))
      5.110     2.555     2.555 peak  2341 weight  1.00000E+00 volume  5.14262E+04 ppm1      2.251 ppm2      0.668

 ASSI { 2342}
   (  segid "   A" and resid 98   and name  HD1#)
   (( segid "   A" and resid 101  and name  HB1 ))
      3.593     1.796     1.796 peak  2342 weight  1.00000E+00 volume  4.25709E+05 ppm1      2.067 ppm2      0.666

 ASSI { 2343}
   (( segid "   A" and resid 102  and name  HA  ))
   (  segid "   A" and resid 98   and name  HD1#)
      3.278     1.558     1.639 peak  2343 weight  1.00000E+00 volume  7.37433E+05 ppm1      3.813 ppm2      0.669

 ASSI { 2344}
   (( segid "   A" and resid 102  and name  HA  ))
   (( segid "   A" and resid 102  and name  HB2 ))
      3.229     1.509     1.614 peak  2344 weight  1.00000E+00 volume  8.08334E+05 ppm1      3.813 ppm2      1.520

 ASSI { 2345}
   (( segid "   A" and resid 105  and name  HN  ))
   (( segid "   A" and resid 102  and name  HA  ))
      3.583     1.791     1.791 peak  2345 weight  1.00000E+00 volume  4.32911E+05 ppm1      3.809 ppm2      6.715

 ASSI { 2346}
   (( segid "   A" and resid 102  and name  HA  ))
   (( segid "   A" and resid 103  and name  HN  ))
      3.801     1.901     1.901 peak  2346 weight  1.00000E+00 volume  3.03577E+05 ppm1      3.805 ppm2      7.324

 ASSI { 2347}
   (( segid "   A" and resid 105  and name  HB2 ))
   (( segid "   A" and resid 102  and name  HB2 ))
      3.776     1.888     1.888 peak  2347 weight  1.00000E+00 volume  3.15922E+05 ppm1      1.518 ppm2      1.219

 ASSI { 2348}
   (( segid "   A" and resid 102  and name  HB2 ))
   (  segid "   A" and resid 102  and name  HD1#)
      3.112     1.392     1.556 peak  2348 weight  1.00000E+00 volume  9.29175E+03 ppm1      1.513 ppm2      0.697

 ASSI { 2349}
   (  segid "   A" and resid 105  and name  HD1#)
   (( segid "   A" and resid 102  and name  HB2 ))
      4.624     2.312     2.312 peak  2349 weight  1.00000E+00 volume  4.69750E+03 ppm1      1.504 ppm2      0.408

 ASSI { 2350}
   (  segid "   A" and resid 156  and name  HG2#)
   (( segid "   A" and resid 103  and name  HA  ))
      3.116     1.396     1.558 peak  2350 weight  1.00000E+00 volume  4.24691E+04 ppm1      4.010 ppm2      1.168

 ASSI { 2351}
   (( segid "   A" and resid 103  and name  HA  ))
   (( segid "   A" and resid 103  and name  HB2 ))
      4.110     2.055     2.055 peak  2351 weight  1.00000E+00 volume  1.89836E+05 ppm1      4.013 ppm2      2.905

 ASSI { 2352}
   (( segid "   A" and resid 105  and name  HN  ))
   (( segid "   A" and resid 103  and name  HA  ))
      4.187     2.094     2.094 peak  2352 weight  1.00000E+00 volume  1.69811E+05 ppm1      4.020 ppm2      6.716

 ASSI { 2353}
   (( segid "   A" and resid 104  and name  HN  ))
   (( segid "   A" and resid 103  and name  HA  ))
      3.399     1.679     1.700 peak  2353 weight  1.00000E+00 volume  3.93805E+04 ppm1      4.018 ppm2      7.323

 ASSI { 2354}
   (  segid "   A" and resid 158  and name  HD# )
   (( segid "   A" and resid 103  and name  HB2 ))
      5.260     2.630     2.630 peak  2354 weight  1.00000E+00 volume  1.22778E+04 ppm1      2.898 ppm2      6.840

 ASSI { 2356}
   (( segid "   A" and resid 101  and name  HA  ))
   (( segid "   A" and resid 103  and name  HB2 ))
      6.076     3.038     1.924 peak  2356 weight  1.00000E+00 volume  7.07888E+03 ppm1      2.882 ppm2      3.977

 ASSI { 2357}
   (  segid "   A" and resid 129  and name  HG2#)
   (( segid "   A" and resid 104  and name  HA  ))
      4.280     2.140     2.140 peak  2357 weight  1.00000E+00 volume  4.94712E+03 ppm1      4.709 ppm2      0.710

 ASSI { 2358}
   (  segid "   A" and resid 129  and name  HG1#)
   (( segid "   A" and resid 104  and name  HA  ))
      4.139     2.069     2.069 peak  2358 weight  1.00000E+00 volume  1.17471E+04 ppm1      4.728 ppm2      0.903

 ASSI { 2360}
   (( segid "   A" and resid 104  and name  HA  ))
   (( segid "   A" and resid 156  and name  HB  ))
      3.870     1.935     1.935 peak  2360 weight  1.00000E+00 volume  2.72412E+05 ppm1      4.727 ppm2      3.811

 ASSI { 2361}
   (( segid "   A" and resid 105  and name  HN  ))
   (( segid "   A" and resid 104  and name  HA  ))
      5.233     2.616     2.616 peak  2361 weight  1.00000E+00 volume  -4.45959E+04 ppm1      4.734 ppm2      6.715

 ASSI { 2362}
   (( segid "   A" and resid 104  and name  HN  ))
   (( segid "   A" and resid 104  and name  HA  ))
      3.792     1.896     1.896 peak  2362 weight  1.00000E+00 volume  3.07729E+05 ppm1      4.733 ppm2      7.325

 ASSI { 2363}
   (( segid "   A" and resid 104  and name  HN  ))
   (( segid "   A" and resid 104  and name  HB2 ))
      3.893     1.946     1.946 peak  2363 weight  1.00000E+00 volume  5.29900E+03 ppm1      3.159 ppm2      7.323

 ASSI { 2364}
   (( segid "   A" and resid 104  and name  HA  ))
   (( segid "   A" and resid 104  and name  HB2 ))
      3.029     1.309     1.514 peak  2364 weight  1.00000E+00 volume  5.31752E+04 ppm1      3.155 ppm2      4.711

 ASSI { 2365}
   (  segid "   A" and resid 154  and name  HG1#)
   (( segid "   A" and resid 104  and name  HB2 ))
      5.284     2.642     2.642 peak  2365 weight  1.00000E+00 volume  -4.20658E+04 ppm1      3.170 ppm2      1.194

 ASSI { 2366}
   (  segid "   A" and resid 156  and name  HG2#)
   (( segid "   A" and resid 104  and name  HB2 ))
      6.055     3.028     1.945 peak  2366 weight  1.00000E+00 volume  1.85716E+04 ppm1      3.171 ppm2      1.170

 ASSI { 2367}
   (  segid "   A" and resid 131  and name  HD1#)
   (( segid "   A" and resid 104  and name  HB2 ))
      4.003     2.002     2.002 peak  2367 weight  1.00000E+00 volume  2.22377E+05 ppm1      3.162 ppm2      0.813

 ASSI { 2368}
   (  segid "   A" and resid 129  and name  HG2#)
   (( segid "   A" and resid 104  and name  HB2 ))
      3.405     1.685     1.703 peak  2368 weight  1.00000E+00 volume  5.87043E+05 ppm1      3.162 ppm2      0.702

 ASSI { 2369}
   (( segid "   A" and resid 105  and name  HA  ))
   (  segid "   A" and resid 105  and name  HD1#)
      3.028     1.308     1.514 peak  2369 weight  1.00000E+00 volume  1.18849E+06 ppm1      4.252 ppm2      0.396

 ASSI { 2371}
   (( segid "   A" and resid 105  and name  HA  ))
   (( segid "   A" and resid 105  and name  HB2 ))
      3.615     1.808     1.808 peak  2371 weight  1.00000E+00 volume  3.74736E+04 ppm1      4.258 ppm2      1.221

 ASSI { 2372}
   (( segid "   A" and resid 105  and name  HA  ))
   (( segid "   A" and resid 105  and name  HN  ))
      4.347     2.173     2.173 peak  2372 weight  1.00000E+00 volume  3.80660E+04 ppm1      4.263 ppm2      6.714

 ASSI { 2373}
   (( segid "   A" and resid 106  and name  HN  ))
   (( segid "   A" and resid 105  and name  HA  ))
      2.873     1.153     1.436 peak  2373 weight  1.00000E+00 volume  1.33566E+05 ppm1      4.256 ppm2      7.124

 ASSI { 2374}
   (( segid "   A" and resid 105  and name  HB2 ))
   (( segid "   A" and resid 102  and name  HB2 ))
      3.166     1.446     1.583 peak  2374 weight  1.00000E+00 volume  9.08335E+05 ppm1      1.218 ppm2      1.523

 ASSI { 2375}
   (  segid "   A" and resid 105  and name  HD1#)
   (( segid "   A" and resid 105  and name  HB2 ))
      2.589     0.869     1.295 peak  2375 weight  1.00000E+00 volume  3.03846E+06 ppm1      0.398 ppm2      1.218

 ASSI { 2379}
   (  segid "   A" and resid 105  and name  HD1#)
   (( segid "   A" and resid 102  and name  HA  ))
      2.753     1.033     1.377 peak  2379 weight  1.00000E+00 volume  2.10161E+06 ppm1      0.399 ppm2      3.807

 ASSI { 2385}
   (( segid "   A" and resid 106  and name  HA  ))
   (( segid "   A" and resid 106  and name  HB2 ))
      2.757     1.037     1.378 peak  2385 weight  1.00000E+00 volume  2.08492E+06 ppm1      1.704 ppm2      4.640

 ASSI { 2386}
   (( segid "   A" and resid 106  and name  HN  ))
   (( segid "   A" and resid 106  and name  HB2 ))
      3.297     1.577     1.648 peak  2386 weight  1.00000E+00 volume  7.12943E+05 ppm1      1.702 ppm2      7.126

 ASSI { 2387}
   (( segid "   A" and resid 107  and name  HN  ))
   (( segid "   A" and resid 106  and name  HB2 ))
      3.512     1.756     1.756 peak  2387 weight  1.00000E+00 volume  4.87499E+05 ppm1      1.708 ppm2      9.085

 ASSI { 2388}
   (( segid "   A" and resid 107  and name  HA  ))
   (( segid "   A" and resid 107  and name  HN  ))
      3.022     1.302     1.511 peak  2388 weight  1.00000E+00 volume  1.20274E+06 ppm1      3.541 ppm2      9.085

 ASSI { 2389}
   (( segid "   A" and resid 107  and name  HA  ))
   (( segid "   A" and resid 72   and name  HB2 ))
      4.520     2.260     2.260 peak  2389 weight  1.00000E+00 volume  1.07356E+05 ppm1      3.552 ppm2      2.723

 ASSI { 2390}
   (( segid "   A" and resid 107  and name  HA  ))
   (  segid "   A" and resid 105  and name  HD1#)
      4.625     2.312     2.312 peak  2390 weight  1.00000E+00 volume  9.35949E+04 ppm1      3.539 ppm2      0.392

 ASSI { 2391}
   (( segid "   A" and resid 107  and name  HB2 ))
   (  segid "   A" and resid 105  and name  HD1#)
      7.220     3.610     0.780 peak  2391 weight  1.00000E+00 volume  6.46488E+03 ppm1      1.895 ppm2      0.397

 ASSI { 2392}
   (( segid "   A" and resid 107  and name  HB2 ))
   (  segid "   A" and resid 75   and name  HB# )
      4.243     2.122     2.122 peak  2392 weight  1.00000E+00 volume  1.56864E+05 ppm1      1.887 ppm2      1.268

 ASSI { 2394}
   (( segid "   A" and resid 107  and name  HA  ))
   (( segid "   A" and resid 107  and name  HB2 ))
      2.848     1.128     1.424 peak  2394 weight  1.00000E+00 volume  1.71662E+06 ppm1      1.888 ppm2      3.545

 ASSI { 2395}
   (( segid "   A" and resid 107  and name  HN  ))
   (( segid "   A" and resid 107  and name  HB2 ))
      3.306     1.586     1.653 peak  2395 weight  1.00000E+00 volume  1.86444E+04 ppm1      1.891 ppm2      9.086

 ASSI { 2396}
   (( segid "   A" and resid 108  and name  HN  ))
   (( segid "   A" and resid 107  and name  HB2 ))
      3.281     1.561     1.641 peak  2396 weight  1.00000E+00 volume  7.33798E+05 ppm1      1.893 ppm2      9.107

 ASSI { 2397}
   (( segid "   A" and resid 109  and name  HN  ))
   (( segid "   A" and resid 108  and name  HA2 ))
      4.050     2.025     2.025 peak  2397 weight  1.00000E+00 volume  2.07314E+05 ppm1      4.408 ppm2      8.111

 ASSI { 2398}
   (( segid "   A" and resid 108  and name  HA2 ))
   (( segid "   A" and resid 108  and name  HA2 ))
      3.055     1.335     1.528 peak  2398 weight  1.00000E+00 volume  1.12531E+06 ppm1      4.411 ppm2      3.743

 ASSI { 2399}
   (( segid "   A" and resid 108  and name  HA2 ))
   (( segid "   A" and resid 71   and name  HG2 ))
      3.724     1.862     1.862 peak  2399 weight  1.00000E+00 volume  3.43502E+05 ppm1      3.754 ppm2      2.211

 ASSI { 2400}
   (( segid "   A" and resid 71   and name  HG2 ))
   (( segid "   A" and resid 108  and name  HA2 ))
      4.570     2.285     2.285 peak  2400 weight  1.00000E+00 volume  1.01696E+04 ppm1      4.424 ppm2      2.209

 ASSI { 2401}
   (( segid "   A" and resid 109  and name  HA  ))
   (( segid "   A" and resid 109  and name  HB1 ))
      3.165     1.445     1.582 peak  2401 weight  1.00000E+00 volume  7.97279E+04 ppm1      4.288 ppm2      2.128

 ASSI { 2402}
   (( segid "   A" and resid 109  and name  HA  ))
   (( segid "   A" and resid 71   and name  HG2 ))
      3.385     1.665     1.693 peak  2402 weight  1.00000E+00 volume  6.71281E+04 ppm1      4.289 ppm2      2.207

 ASSI { 2403}
   (( segid "   A" and resid 109  and name  HA  ))
   (( segid "   A" and resid 109  and name  HB2 ))
      3.074     1.354     1.537 peak  2403 weight  1.00000E+00 volume  1.08492E+06 ppm1      4.293 ppm2      2.340

 ASSI { 2404}
   (( segid "   A" and resid 109  and name  HA  ))
   (( segid "   A" and resid 109  and name  HG2 ))
      3.253     1.533     1.627 peak  2404 weight  1.00000E+00 volume  7.72600E+05 ppm1      4.295 ppm2      2.643

 ASSI { 2405}
   (( segid "   A" and resid 109  and name  HA  ))
   (( segid "   A" and resid 109  and name  HN  ))
      4.073     2.037     2.037 peak  2405 weight  1.00000E+00 volume  2.00480E+05 ppm1      4.284 ppm2      8.107

 ASSI { 2406}
   (( segid "   A" and resid 110  and name  HN  ))
   (( segid "   A" and resid 109  and name  HA  ))
      3.043     1.323     1.522 peak  2406 weight  1.00000E+00 volume  1.15285E+06 ppm1      4.285 ppm2      8.529

 ASSI { 2407}
   (( segid "   A" and resid 110  and name  HN  ))
   (( segid "   A" and resid 109  and name  HB1 ))
      3.945     1.972     1.972 peak  2407 weight  1.00000E+00 volume  6.99638E+03 ppm1      2.117 ppm2      8.531

 ASSI { 2408}
   (( segid "   A" and resid 110  and name  HN  ))
   (( segid "   A" and resid 109  and name  HB2 ))
      3.730     1.865     1.865 peak  2408 weight  1.00000E+00 volume  2.62642E+04 ppm1      2.333 ppm2      8.532

 ASSI { 2409}
   (( segid "   A" and resid 109  and name  HB1 ))
   (( segid "   A" and resid 109  and name  HN  ))
      3.315     1.595     1.658 peak  2409 weight  1.00000E+00 volume  6.89259E+05 ppm1      2.115 ppm2      8.116

 ASSI { 2410}
   (( segid "   A" and resid 109  and name  HB2 ))
   (( segid "   A" and resid 109  and name  HN  ))
      4.113     2.057     2.057 peak  2410 weight  1.00000E+00 volume  1.89048E+05 ppm1      2.335 ppm2      8.115

 ASSI { 2411}
   (( segid "   A" and resid 109  and name  HA  ))
   (( segid "   A" and resid 109  and name  HB1 ))
      2.977     1.257     1.489 peak  2411 weight  1.00000E+00 volume  1.35799E+04 ppm1      2.112 ppm2      4.295

 ASSI { 2412}
   (( segid "   A" and resid 109  and name  HA  ))
   (( segid "   A" and resid 109  and name  HB2 ))
      4.753     2.377     2.377 peak  2412 weight  1.00000E+00 volume  1.38198E+04 ppm1      2.332 ppm2      4.289

 ASSI { 2413}
   (( segid "   A" and resid 109  and name  HB2 ))
   (( segid "   A" and resid 72   and name  HB2 ))
      3.856     1.928     1.928 peak  2413 weight  1.00000E+00 volume  8.78412E+03 ppm1      2.343 ppm2      2.722

 ASSI { 2414}
   (( segid "   A" and resid 109  and name  HG2 ))
   (( segid "   A" and resid 109  and name  HB2 ))
      3.340     1.620     1.670 peak  2414 weight  1.00000E+00 volume  1.36182E+04 ppm1      2.345 ppm2      2.645

 ASSI { 2415}
   (( segid "   A" and resid 109  and name  HG2 ))
   (( segid "   A" and resid 109  and name  HB1 ))
      3.008     1.288     1.504 peak  2415 weight  1.00000E+00 volume  5.99975E+04 ppm1      2.120 ppm2      2.649

 ASSI { 2416}
   (( segid "   A" and resid 109  and name  HB2 ))
   (( segid "   A" and resid 109  and name  HB1 ))
      2.304     0.584     1.152 peak  2416 weight  1.00000E+00 volume  1.74801E+05 ppm1      2.118 ppm2      2.341

 ASSI { 2417}
   (( segid "   A" and resid 109  and name  HB2 ))
   (( segid "   A" and resid 109  and name  HB1 ))
      2.558     0.838     1.279 peak  2417 weight  1.00000E+00 volume  1.26317E+05 ppm1      2.341 ppm2      2.119

 ASSI { 2420}
   (( segid "   A" and resid 109  and name  HG2 ))
   (( segid "   A" and resid 109  and name  HB1 ))
      2.694     0.974     1.347 peak  2420 weight  1.00000E+00 volume  2.39251E+06 ppm1      2.649 ppm2      2.120

 ASSI { 2421}
   (( segid "   A" and resid 109  and name  HG2 ))
   (( segid "   A" and resid 109  and name  HB2 ))
      2.681     0.961     1.341 peak  2421 weight  1.00000E+00 volume  1.74600E+05 ppm1      2.648 ppm2      2.348

 ASSI { 2422}
   (( segid "   A" and resid 72   and name  HN  ))
   (( segid "   A" and resid 110  and name  HA  ))
      3.080     1.360     1.540 peak  2422 weight  1.00000E+00 volume  4.24302E+04 ppm1      5.091 ppm2      9.128

 ASSI { 2423}
   (( segid "   A" and resid 110  and name  HA  ))
   (( segid "   A" and resid 110  and name  HN  ))
      4.139     2.069     2.069 peak  2423 weight  1.00000E+00 volume  1.82110E+05 ppm1      5.085 ppm2      8.524

 ASSI { 2424}
   (( segid "   A" and resid 110  and name  HA  ))
   (( segid "   A" and resid 71   and name  HA  ))
      3.492     1.746     1.746 peak  2424 weight  1.00000E+00 volume  5.04763E+05 ppm1      5.087 ppm2      5.209

 ASSI { 2425}
   (( segid "   A" and resid 110  and name  HA  ))
   (( segid "   A" and resid 71   and name  HG2 ))
      3.785     1.893     1.893 peak  2425 weight  1.00000E+00 volume  3.11164E+05 ppm1      5.089 ppm2      2.211

 ASSI { 2426}
   (( segid "   A" and resid 110  and name  HA  ))
   (( segid "   A" and resid 71   and name  HB2 ))
      2.844     1.124     1.422 peak  2426 weight  1.00000E+00 volume  1.72980E+06 ppm1      5.091 ppm2      1.998

 ASSI { 2428}
   (( segid "   A" and resid 110  and name  HB2 ))
   (( segid "   A" and resid 71   and name  HA  ))
      3.170     1.450     1.585 peak  2428 weight  1.00000E+00 volume  9.03032E+05 ppm1      1.994 ppm2      5.209

 ASSI { 2429}
   (( segid "   A" and resid 110  and name  HN  ))
   (( segid "   A" and resid 110  and name  HB2 ))
      3.155     1.435     1.577 peak  2429 weight  1.00000E+00 volume  9.29067E+05 ppm1      1.992 ppm2      8.532

 ASSI { 2430}
   (( segid "   A" and resid 111  and name  HN  ))
   (( segid "   A" and resid 110  and name  HB2 ))
      3.000     1.280     1.500 peak  2430 weight  1.00000E+00 volume  1.25513E+06 ppm1      1.997 ppm2      9.070

 ASSI { 2431}
   (( segid "   A" and resid 111  and name  HN  ))
   (( segid "   A" and resid 111  and name  HA  ))
      3.547     1.773     1.773 peak  2431 weight  1.00000E+00 volume  4.59731E+05 ppm1      4.761 ppm2      9.068

 ASSI { 2432}
   (( segid "   A" and resid 111  and name  HA  ))
   (( segid "   A" and resid 111  and name  HB  ))
      3.081     1.361     1.540 peak  2432 weight  1.00000E+00 volume  1.07106E+06 ppm1      4.763 ppm2      2.036

 ASSI { 2433}
   (( segid "   A" and resid 111  and name  HB  ))
   (( segid "   A" and resid 125  and name  HA  ))
      3.325     1.605     1.662 peak  2433 weight  1.00000E+00 volume  6.77531E+05 ppm1      2.035 ppm2      4.510

 ASSI { 2434}
   (( segid "   A" and resid 111  and name  HA  ))
   (( segid "   A" and resid 111  and name  HB  ))
      2.762     1.042     1.381 peak  2434 weight  1.00000E+00 volume  2.06228E+06 ppm1      2.031 ppm2      4.764

 ASSI { 2435}
   (( segid "   A" and resid 70   and name  HN  ))
   (( segid "   A" and resid 112  and name  HA  ))
      3.849     1.924     1.924 peak  2435 weight  1.00000E+00 volume  1.49392E+04 ppm1      5.082 ppm2      8.922

 ASSI { 2436}
   (( segid "   A" and resid 112  and name  HN  ))
   (( segid "   A" and resid 112  and name  HA  ))
      3.869     1.934     1.934 peak  2436 weight  1.00000E+00 volume  2.73106E+05 ppm1      5.078 ppm2      8.058

 ASSI { 2437}
   (( segid "   A" and resid 112  and name  HA  ))
   (( segid "   A" and resid 69   and name  HA  ))
      2.921     1.201     1.461 peak  2437 weight  1.00000E+00 volume  5.35470E+04 ppm1      5.079 ppm2      4.692

 ASSI { 2439}
   (( segid "   A" and resid 112  and name  HA  ))
   (( segid "   A" and resid 112  and name  HB2 ))
      3.166     1.446     1.583 peak  2439 weight  1.00000E+00 volume  3.67558E+04 ppm1      2.017 ppm2      5.079

 ASSI { 2440}
   (( segid "   A" and resid 112  and name  HN  ))
   (( segid "   A" and resid 112  and name  HB2 ))
      3.606     1.803     1.803 peak  2440 weight  1.00000E+00 volume  4.16608E+05 ppm1      2.014 ppm2      8.053

 ASSI { 2441}
   (( segid "   A" and resid 113  and name  HN  ))
   (( segid "   A" and resid 112  and name  HB2 ))
      3.033     1.313     1.517 peak  2441 weight  1.00000E+00 volume  1.17502E+06 ppm1      2.017 ppm2      9.075

 ASSI { 2442}
   (( segid "   A" and resid 124  and name  HN  ))
   (( segid "   A" and resid 112  and name  HB2 ))
      4.711     2.356     2.356 peak  2442 weight  1.00000E+00 volume  -8.37130E+04 ppm1      2.008 ppm2      9.196

 ASSI { 2443}
   (( segid "   A" and resid 124  and name  HN  ))
   (( segid "   A" and resid 113  and name  HA  ))
      4.200     2.100     2.100 peak  2443 weight  1.00000E+00 volume  1.66810E+05 ppm1      4.428 ppm2      9.193

 ASSI { 2444}
   (( segid "   A" and resid 113  and name  HN  ))
   (( segid "   A" and resid 113  and name  HA  ))
      3.832     1.916     1.916 peak  2444 weight  1.00000E+00 volume  2.89067E+05 ppm1      4.427 ppm2      9.074

 ASSI { 2445}
   (( segid "   A" and resid 113  and name  HA  ))
   (( segid "   A" and resid 123  and name  HA  ))
      2.596     0.876     1.298 peak  2445 weight  1.00000E+00 volume  2.99308E+06 ppm1      4.425 ppm2      4.686

 ASSI { 2446}
   (( segid "   A" and resid 113  and name  HA  ))
   (( segid "   A" and resid 113  and name  HB  ))
      3.832     1.916     1.916 peak  2446 weight  1.00000E+00 volume  2.89335E+05 ppm1      4.422 ppm2      1.656

 ASSI { 2447}
   (  segid "   A" and resid 123  and name  HG1#)
   (( segid "   A" and resid 113  and name  HA  ))
      4.259     2.129     2.129 peak  2447 weight  1.00000E+00 volume  6.17612E+03 ppm1      4.432 ppm2      0.555

 ASSI { 2448}
   (  segid "   A" and resid 115  and name  HG2#)
   (( segid "   A" and resid 113  and name  HB  ))
      3.105     1.385     1.553 peak  2448 weight  1.00000E+00 volume  4.40640E+04 ppm1      1.651 ppm2      0.905

 ASSI { 2449}
   (( segid "   A" and resid 113  and name  HA  ))
   (( segid "   A" and resid 113  and name  HB  ))
      3.770     1.885     1.885 peak  2449 weight  1.00000E+00 volume  3.18959E+05 ppm1      1.653 ppm2      4.427

 ASSI { 2450}
   (( segid "   A" and resid 68   and name  HN  ))
   (( segid "   A" and resid 113  and name  HB  ))
      4.613     2.307     2.307 peak  2450 weight  1.00000E+00 volume  9.49788E+04 ppm1      1.658 ppm2      8.791

 ASSI { 2451}
   (( segid "   A" and resid 113  and name  HN  ))
   (( segid "   A" and resid 113  and name  HB  ))
      3.232     1.512     1.616 peak  2451 weight  1.00000E+00 volume  3.96322E+04 ppm1      1.652 ppm2      9.077

 ASSI { 2452}
   (( segid "   A" and resid 114  and name  HN  ))
   (( segid "   A" and resid 114  and name  HA  ))
      3.497     1.748     1.748 peak  2452 weight  1.00000E+00 volume  4.04586E+04 ppm1      5.221 ppm2      8.494

 ASSI { 2453}
   (( segid "   A" and resid 114  and name  HA  ))
   (( segid "   A" and resid 67   and name  HA  ))
      2.923     1.203     1.462 peak  2453 weight  1.00000E+00 volume  7.75886E+04 ppm1      5.218 ppm2      5.341

 ASSI { 2454}
   (  segid "   A" and resid 121  and name  HG2#)
   (( segid "   A" and resid 114  and name  HB2 ))
      4.166     2.083     2.083 peak  2454 weight  1.00000E+00 volume  9.31750E+03 ppm1      2.201 ppm2      0.943

 ASSI { 2455}
   (( segid "   A" and resid 122  and name  HA1 ))
   (( segid "   A" and resid 114  and name  HB2 ))
      4.920     2.460     2.460 peak  2455 weight  1.00000E+00 volume  -6.45719E+04 ppm1      2.226 ppm2      4.093

 ASSI { 2456}
   (( segid "   A" and resid 122  and name  HA2 ))
   (( segid "   A" and resid 114  and name  HB2 ))
      4.356     2.178     2.178 peak  2456 weight  1.00000E+00 volume  1.34044E+05 ppm1      2.219 ppm2      4.170

 ASSI { 2458}
   (( segid "   A" and resid 114  and name  HA  ))
   (( segid "   A" and resid 114  and name  HB2 ))
      4.203     2.102     2.102 peak  2458 weight  1.00000E+00 volume  1.65983E+05 ppm1      2.213 ppm2      5.221

 ASSI { 2459}
   (( segid "   A" and resid 114  and name  HN  ))
   (( segid "   A" and resid 114  and name  HB2 ))
      3.294     1.574     1.647 peak  2459 weight  1.00000E+00 volume  5.22752E+04 ppm1      2.216 ppm2      8.490

 ASSI { 2460}
   (( segid "   A" and resid 121  and name  HN  ))
   (( segid "   A" and resid 114  and name  HB2 ))
      7.666     3.833     0.334 peak  2460 weight  1.00000E+00 volume  6.65275E+03 ppm1      2.218 ppm2      8.977

 ASSI { 2461}
   (( segid "   A" and resid 121  and name  HN  ))
   (( segid "   A" and resid 115  and name  HA  ))
      3.242     1.522     1.621 peak  2461 weight  1.00000E+00 volume  7.88893E+05 ppm1      5.333 ppm2      8.979

 ASSI { 2462}
   (( segid "   A" and resid 115  and name  HN  ))
   (( segid "   A" and resid 115  and name  HA  ))
      3.156     1.436     1.578 peak  2462 weight  1.00000E+00 volume  4.59128E+04 ppm1      5.343 ppm2      8.939

 ASSI { 2463}
   (( segid "   A" and resid 115  and name  HA  ))
   (  segid "   A" and resid 121  and name  HG2#)
      3.105     1.385     1.553 peak  2463 weight  1.00000E+00 volume  4.82414E+04 ppm1      5.338 ppm2      0.941

 ASSI { 2466}
   (( segid "   A" and resid 115  and name  HN  ))
   (( segid "   A" and resid 115  and name  HB  ))
      3.232     1.512     1.616 peak  2466 weight  1.00000E+00 volume  5.07302E+04 ppm1      3.696 ppm2      8.936

 ASSI { 2467}
   (( segid "   A" and resid 115  and name  HN  ))
   (  segid "   A" and resid 115  and name  HG2#)
      2.673     0.953     1.337 peak  2467 weight  1.00000E+00 volume  9.87445E+04 ppm1      0.906 ppm2      8.942

 ASSI { 2468}
   (( segid "   A" and resid 116  and name  HN  ))
   (  segid "   A" and resid 115  and name  HG2#)
      2.743     1.023     1.372 peak  2468 weight  1.00000E+00 volume  1.04624E+05 ppm1      0.902 ppm2      8.856

 ASSI { 2469}
   (  segid "   A" and resid 115  and name  HG2#)
   (( segid "   A" and resid 120  and name  HN  ))
      3.024     1.304     1.512 peak  2469 weight  1.00000E+00 volume  -1.06511E+04 ppm1      0.906 ppm2      8.739

 ASSI { 2470}
   (( segid "   A" and resid 115  and name  HA  ))
   (  segid "   A" and resid 115  and name  HG2#)
      2.666     0.946     1.333 peak  2470 weight  1.00000E+00 volume  1.20846E+05 ppm1      0.904 ppm2      5.343

 ASSI { 2472}
   (  segid "   A" and resid 115  and name  HG2#)
   (( segid "   A" and resid 120  and name  HA  ))
      2.853     1.133     1.427 peak  2472 weight  1.00000E+00 volume  1.55007E+05 ppm1      0.907 ppm2      4.159

 ASSI { 2477}
   (  segid "   A" and resid 115  and name  HG2#)
   (( segid "   A" and resid 113  and name  HB  ))
      3.262     1.542     1.631 peak  2477 weight  1.00000E+00 volume  7.60215E+05 ppm1      0.906 ppm2      1.658

 ASSI { 2478}
   (  segid "   A" and resid 121  and name  HG2#)
   (( segid "   A" and resid 116  and name  HA  ))
      3.679     1.840     1.840 peak  2478 weight  1.00000E+00 volume  6.07950E+03 ppm1      4.900 ppm2      0.937

 ASSI { 2479}
   (( segid "   A" and resid 66   and name  HN  ))
   (( segid "   A" and resid 116  and name  HA  ))
      3.316     1.596     1.658 peak  2479 weight  1.00000E+00 volume  3.09288E+04 ppm1      4.896 ppm2      8.784

 ASSI { 2482}
   (( segid "   A" and resid 116  and name  HA  ))
   (( segid "   A" and resid 116  and name  HB2 ))
      3.661     1.830     1.830 peak  2482 weight  1.00000E+00 volume  3.80450E+05 ppm1      2.899 ppm2      4.890

 ASSI { 2483}
   (( segid "   A" and resid 119  and name  HB1 ))
   (( segid "   A" and resid 116  and name  HB2 ))
      4.442     2.221     2.221 peak  2483 weight  1.00000E+00 volume  -1.19204E+05 ppm1      2.885 ppm2      2.131

 ASSI { 2497}
   (( segid "   A" and resid 119  and name  HA  ))
   (( segid "   A" and resid 120  and name  HN  ))
      3.786     1.893     1.893 peak  2497 weight  1.00000E+00 volume  3.10733E+05 ppm1      4.557 ppm2      8.740

 ASSI { 2498}
   (( segid "   A" and resid 119  and name  HA  ))
   (( segid "   A" and resid 119  and name  HB1 ))
      2.882     1.162     1.441 peak  2498 weight  1.00000E+00 volume  1.59692E+06 ppm1      4.551 ppm2      2.143

 ASSI { 2499}
   (( segid "   A" and resid 119  and name  HA  ))
   (( segid "   A" and resid 119  and name  HB2 ))
      2.872     1.152     1.436 peak  2499 weight  1.00000E+00 volume  1.24430E+05 ppm1      4.561 ppm2      1.971

 ASSI { 2500}
   (( segid "   A" and resid 119  and name  HA  ))
   (  segid "   A" and resid 115  and name  HG2#)
      4.247     2.124     2.124 peak  2500 weight  1.00000E+00 volume  2.50028E+04 ppm1      4.559 ppm2      0.908

 ASSI { 2501}
   (( segid "   A" and resid 119  and name  HB2 ))
   (( segid "   A" and resid 120  and name  HN  ))
      3.103     1.383     1.552 peak  2501 weight  1.00000E+00 volume  4.37304E+04 ppm1      1.974 ppm2      8.741

 ASSI { 2502}
   (( segid "   A" and resid 119  and name  HB1 ))
   (( segid "   A" and resid 120  and name  HN  ))
      4.854     2.427     2.427 peak  2502 weight  1.00000E+00 volume  9.47288E+03 ppm1      2.120 ppm2      8.741

 ASSI { 2503}
   (( segid "   A" and resid 116  and name  HN  ))
   (( segid "   A" and resid 120  and name  HA  ))
      3.610     1.805     1.805 peak  2503 weight  1.00000E+00 volume  4.13427E+05 ppm1      4.158 ppm2      8.849

 ASSI { 2504}
   (( segid "   A" and resid 120  and name  HA  ))
   (( segid "   A" and resid 120  and name  HN  ))
      4.251     2.125     2.125 peak  2504 weight  1.00000E+00 volume  1.55231E+05 ppm1      4.156 ppm2      8.752

 ASSI { 2505}
   (  segid "   A" and resid 115  and name  HG2#)
   (( segid "   A" and resid 120  and name  HA  ))
      2.886     1.166     1.443 peak  2505 weight  1.00000E+00 volume  1.07910E+05 ppm1      4.159 ppm2      0.909

 ASSI { 2506}
   (  segid "   A" and resid 121  and name  HG2#)
   (( segid "   A" and resid 121  and name  HA  ))
      3.110     1.390     1.555 peak  2506 weight  1.00000E+00 volume  3.70252E+04 ppm1      4.573 ppm2      0.949

 ASSI { 2507}
   (( segid "   A" and resid 121  and name  HB  ))
   (( segid "   A" and resid 121  and name  HA  ))
      2.849     1.129     1.425 peak  2507 weight  1.00000E+00 volume  1.71048E+06 ppm1      4.573 ppm2      1.915

 ASSI { 2508}
   (( segid "   A" and resid 122  and name  HN  ))
   (( segid "   A" and resid 121  and name  HA  ))
      4.552     2.276     2.276 peak  2508 weight  1.00000E+00 volume  1.02911E+05 ppm1      4.569 ppm2      7.415

 ASSI { 2509}
   (( segid "   A" and resid 121  and name  HN  ))
   (( segid "   A" and resid 121  and name  HA  ))
      3.283     1.563     1.641 peak  2509 weight  1.00000E+00 volume  7.31606E+05 ppm1      4.572 ppm2      8.980

 ASSI { 2510}
   (( segid "   A" and resid 116  and name  HN  ))
   (( segid "   A" and resid 121  and name  HB  ))
      4.748     2.374     2.374 peak  2510 weight  1.00000E+00 volume  7.98852E+04 ppm1      1.914 ppm2      8.858

 ASSI { 2511}
   (( segid "   A" and resid 121  and name  HB  ))
   (  segid "   A" and resid 121  and name  HG2#)
      2.722     1.002     1.361 peak  2511 weight  1.00000E+00 volume  2.25178E+06 ppm1      1.918 ppm2      0.944

 ASSI { 2512}
   (( segid "   A" and resid 121  and name  HB  ))
   (  segid "   A" and resid 121  and name  HG2#)
      2.409     0.689     1.205 peak  2512 weight  1.00000E+00 volume  4.67931E+06 ppm1      0.939 ppm2      1.918

 ASSI { 2513}
   (  segid "   A" and resid 121  and name  HG2#)
   (( segid "   A" and resid 114  and name  HB2 ))
      6.152     3.076     1.848 peak  2513 weight  1.00000E+00 volume  1.68910E+04 ppm1      0.942 ppm2      2.220

 ASSI { 2514}
   (( segid "   A" and resid 122  and name  HA1 ))
   (  segid "   A" and resid 121  and name  HG2#)
      4.139     2.070     2.070 peak  2514 weight  1.00000E+00 volume  1.49690E+04 ppm1      0.943 ppm2      4.098

 ASSI { 2515}
   (( segid "   A" and resid 122  and name  HA2 ))
   (  segid "   A" and resid 121  and name  HG2#)
      3.961     1.981     1.981 peak  2515 weight  1.00000E+00 volume  1.16334E+04 ppm1      0.944 ppm2      4.139

 ASSI { 2517}
   (  segid "   A" and resid 121  and name  HG2#)
   (( segid "   A" and resid 116  and name  HA  ))
      5.099     2.549     2.549 peak  2517 weight  1.00000E+00 volume  -5.20996E+04 ppm1      0.940 ppm2      4.890

 ASSI { 2518}
   (( segid "   A" and resid 115  and name  HA  ))
   (  segid "   A" and resid 121  and name  HG2#)
      3.974     1.987     1.987 peak  2518 weight  1.00000E+00 volume  2.32479E+05 ppm1      0.944 ppm2      5.337

 ASSI { 2519}
   (( segid "   A" and resid 122  and name  HN  ))
   (  segid "   A" and resid 121  and name  HG2#)
      4.588     2.294     2.294 peak  2519 weight  1.00000E+00 volume  1.05770E+04 ppm1      0.941 ppm2      7.408

 ASSI { 2520}
   (( segid "   A" and resid 121  and name  HN  ))
   (  segid "   A" and resid 121  and name  HG2#)
      4.253     2.126     2.126 peak  2520 weight  1.00000E+00 volume  2.31272E+04 ppm1      0.934 ppm2      8.978

 ASSI { 2521}
   (( segid "   A" and resid 122  and name  HA2 ))
   (( segid "   A" and resid 114  and name  HB2 ))
      5.234     2.617     2.617 peak  2521 weight  1.00000E+00 volume  -4.45362E+04 ppm1      4.168 ppm2      2.217

 ASSI { 2522}
   (( segid "   A" and resid 122  and name  HA1 ))
   (( segid "   A" and resid 114  and name  HB2 ))
      5.454     2.727     2.546 peak  2522 weight  1.00000E+00 volume  5.80000E+03 ppm1      4.107 ppm2      2.220

 ASSI { 2524}
   (( segid "   A" and resid 122  and name  HA1 ))
   (  segid "   A" and resid 121  and name  HG2#)
      4.110     2.055     2.055 peak  2524 weight  1.00000E+00 volume  1.21206E+04 ppm1      4.099 ppm2      0.945

 ASSI { 2525}
   (( segid "   A" and resid 122  and name  HA1 ))
   (  segid "   A" and resid 123  and name  HG1#)
      4.331     2.165     2.165 peak  2525 weight  1.00000E+00 volume  1.38802E+05 ppm1      4.095 ppm2      0.555

 ASSI { 2526}
   (( segid "   A" and resid 122  and name  HA2 ))
   (  segid "   A" and resid 123  and name  HG1#)
      4.168     2.084     2.084 peak  2526 weight  1.00000E+00 volume  1.74525E+05 ppm1      4.168 ppm2      0.554

 ASSI { 2527}
   (  segid "   A" and resid 123  and name  HG1#)
   (( segid "   A" and resid 123  and name  HA  ))
      3.618     1.809     1.809 peak  2527 weight  1.00000E+00 volume  4.08354E+05 ppm1      4.657 ppm2      0.555

 ASSI { 2528}
   (( segid "   A" and resid 123  and name  HA  ))
   (( segid "   A" and resid 114  and name  HB2 ))
      3.751     1.876     1.876 peak  2528 weight  1.00000E+00 volume  3.28518E+05 ppm1      4.635 ppm2      2.218

 ASSI { 2530}
   (( segid "   A" and resid 123  and name  HN  ))
   (( segid "   A" and resid 123  and name  HA  ))
      4.606     2.303     2.303 peak  2530 weight  1.00000E+00 volume  9.58266E+04 ppm1      4.666 ppm2      8.323

 ASSI { 2532}
   (( segid "   A" and resid 124  and name  HN  ))
   (  segid "   A" and resid 123  and name  HG1#)
      3.712     1.856     1.856 peak  2532 weight  1.00000E+00 volume  3.50090E+05 ppm1      0.552 ppm2      9.198

 ASSI { 2533}
   (( segid "   A" and resid 125  and name  HN  ))
   (  segid "   A" and resid 123  and name  HG1#)
      3.011     1.291     1.506 peak  2533 weight  1.00000E+00 volume  1.22771E+06 ppm1      0.552 ppm2      8.808

 ASSI { 2534}
   (( segid "   A" and resid 114  and name  HN  ))
   (  segid "   A" and resid 123  and name  HG1#)
      3.974     1.987     1.987 peak  2534 weight  1.00000E+00 volume  8.91212E+03 ppm1      0.542 ppm2      8.482

 ASSI { 2535}
   (( segid "   A" and resid 123  and name  HN  ))
   (  segid "   A" and resid 123  and name  HG1#)
      4.150     2.075     2.075 peak  2535 weight  1.00000E+00 volume  6.68938E+03 ppm1      0.538 ppm2      8.328

 ASSI { 2536}
   (  segid "   A" and resid 123  and name  HG1#)
   (( segid "   A" and resid 123  and name  HA  ))
      2.496     0.776     1.248 peak  2536 weight  1.00000E+00 volume  3.78347E+06 ppm1      0.554 ppm2      4.686

 ASSI { 2537}
   (  segid "   A" and resid 123  and name  HG1#)
   (( segid "   A" and resid 113  and name  HA  ))
      3.757     1.879     1.879 peak  2537 weight  1.00000E+00 volume  3.25372E+05 ppm1      0.554 ppm2      4.429

 ASSI { 2538}
   (( segid "   A" and resid 122  and name  HA2 ))
   (  segid "   A" and resid 123  and name  HG1#)
      7.352     3.676     0.648 peak  2538 weight  1.00000E+00 volume  -5.79888E+03 ppm1      0.556 ppm2      4.170

 ASSI { 2539}
   (( segid "   A" and resid 122  and name  HA1 ))
   (  segid "   A" and resid 123  and name  HG1#)
      4.295     2.147     2.147 peak  2539 weight  1.00000E+00 volume  1.45855E+05 ppm1      0.559 ppm2      4.097

 ASSI { 2541}
   (( segid "   A" and resid 124  and name  HB1 ))
   (( segid "   A" and resid 124  and name  HA  ))
      3.054     1.334     1.527 peak  2541 weight  1.00000E+00 volume  1.12856E+06 ppm1      4.605 ppm2      1.789

 ASSI { 2542}
   (( segid "   A" and resid 124  and name  HB2 ))
   (( segid "   A" and resid 124  and name  HA  ))
      2.691     0.971     1.346 peak  2542 weight  1.00000E+00 volume  2.40869E+06 ppm1      4.602 ppm2      2.013

 ASSI { 2543}
   (( segid "   A" and resid 124  and name  HN  ))
   (( segid "   A" and resid 124  and name  HA  ))
      4.316     2.158     2.158 peak  2543 weight  1.00000E+00 volume  1.96546E+04 ppm1      4.597 ppm2      9.197

 ASSI { 2544}
   (( segid "   A" and resid 124  and name  HN  ))
   (( segid "   A" and resid 124  and name  HB2 ))
      4.179     2.090     2.090 peak  2544 weight  1.00000E+00 volume  8.03538E+03 ppm1      2.014 ppm2      9.197

 ASSI { 2545}
   (( segid "   A" and resid 124  and name  HN  ))
   (( segid "   A" and resid 124  and name  HB1 ))
      5.259     2.630     2.630 peak  2545 weight  1.00000E+00 volume  -1.81725E+03 ppm1      1.793 ppm2      9.195

 ASSI { 2546}
   (( segid "   A" and resid 125  and name  HN  ))
   (( segid "   A" and resid 124  and name  HB1 ))
      4.276     2.138     2.138 peak  2546 weight  1.00000E+00 volume  1.49850E+05 ppm1      1.790 ppm2      8.811

 ASSI { 2547}
   (( segid "   A" and resid 125  and name  HN  ))
   (( segid "   A" and resid 124  and name  HB2 ))
      4.318     2.159     2.159 peak  2547 weight  1.00000E+00 volume  1.41234E+05 ppm1      2.012 ppm2      8.809

 ASSI { 2548}
   (( segid "   A" and resid 112  and name  HN  ))
   (( segid "   A" and resid 124  and name  HB2 ))
      3.539     1.769     1.769 peak  2548 weight  1.00000E+00 volume  4.66175E+05 ppm1      2.013 ppm2      8.055

 ASSI { 2549}
   (( segid "   A" and resid 124  and name  HB2 ))
   (( segid "   A" and resid 124  and name  HA  ))
      3.165     1.445     1.582 peak  2549 weight  1.00000E+00 volume  4.43816E+04 ppm1      2.011 ppm2      4.604

 ASSI { 2550}
   (( segid "   A" and resid 124  and name  HB1 ))
   (( segid "   A" and resid 124  and name  HA  ))
      2.801     1.081     1.401 peak  2550 weight  1.00000E+00 volume  4.00989E+04 ppm1      1.790 ppm2      4.606

 ASSI { 2551}
   (( segid "   A" and resid 125  and name  HB2 ))
   (( segid "   A" and resid 125  and name  HA  ))
      3.753     1.876     1.876 peak  2551 weight  1.00000E+00 volume  2.35511E+04 ppm1      4.505 ppm2      1.583

 ASSI { 2552}
   (( segid "   A" and resid 111  and name  HB  ))
   (( segid "   A" and resid 125  and name  HA  ))
      3.750     1.875     1.875 peak  2552 weight  1.00000E+00 volume  1.76278E+04 ppm1      4.506 ppm2      2.034

 ASSI { 2553}
   (( segid "   A" and resid 125  and name  HN  ))
   (( segid "   A" and resid 125  and name  HA  ))
      3.879     1.940     1.940 peak  2553 weight  1.00000E+00 volume  1.34976E+04 ppm1      4.505 ppm2      8.809

 ASSI { 2554}
   (( segid "   A" and resid 125  and name  HB2 ))
   (( segid "   A" and resid 125  and name  HA  ))
      3.551     1.775     1.775 peak  2554 weight  1.00000E+00 volume  4.56662E+05 ppm1      1.572 ppm2      4.502

 ASSI { 2555}
   (( segid "   A" and resid 125  and name  HB2 ))
   (  segid "   A" and resid 123  and name  HG1#)
      4.076     2.038     2.038 peak  2555 weight  1.00000E+00 volume  1.99514E+05 ppm1      1.577 ppm2      0.545

 ASSI { 2556}
   (( segid "   A" and resid 126  and name  HA  ))
   (( segid "   A" and resid 126  and name  HB2 ))
      2.731     1.011     1.366 peak  2556 weight  1.00000E+00 volume  2.20507E+06 ppm1      4.511 ppm2      2.153

 ASSI { 2558}
   (( segid "   A" and resid 127  and name  HN  ))
   (( segid "   A" and resid 126  and name  HB2 ))
      5.257     2.628     2.628 peak  2558 weight  1.00000E+00 volume  4.33941E+04 ppm1      2.153 ppm2      8.586

 ASSI { 2559}
   (( segid "   A" and resid 128  and name  HN  ))
   (( segid "   A" and resid 126  and name  HB2 ))
      5.028     2.514     2.514 peak  2559 weight  1.00000E+00 volume  5.66731E+04 ppm1      2.154 ppm2      7.420

 ASSI { 2561}
   (( segid "   A" and resid 127  and name  HN  ))
   (( segid "   A" and resid 127  and name  HA  ))
      4.966     2.483     2.483 peak  2561 weight  1.00000E+00 volume  6.10159E+04 ppm1      3.774 ppm2      8.591

 ASSI { 2562}
   (( segid "   A" and resid 177  and name  HN  ))
   (( segid "   A" and resid 127  and name  HA  ))
      4.497     2.249     2.249 peak  2562 weight  1.00000E+00 volume  1.55221E+04 ppm1      3.767 ppm2      8.835

 ASSI { 2563}
   (( segid "   A" and resid 177  and name  HN  ))
   (( segid "   A" and resid 127  and name  HB2 ))
      4.994     2.497     2.497 peak  2563 weight  1.00000E+00 volume  5.90512E+04 ppm1      1.838 ppm2      8.843

 ASSI { 2564}
   (( segid "   A" and resid 127  and name  HN  ))
   (( segid "   A" and resid 127  and name  HB2 ))
      3.358     1.638     1.679 peak  2564 weight  1.00000E+00 volume  1.40122E+04 ppm1      1.844 ppm2      8.588

 ASSI { 2565}
   (( segid "   A" and resid 128  and name  HN  ))
   (( segid "   A" and resid 127  and name  HB2 ))
      3.540     1.770     1.770 peak  2565 weight  1.00000E+00 volume  4.83802E+04 ppm1      1.842 ppm2      7.418

 ASSI { 2567}
   (( segid "   A" and resid 127  and name  HA  ))
   (( segid "   A" and resid 127  and name  HB2 ))
      2.861     1.141     1.431 peak  2567 weight  1.00000E+00 volume  1.13810E+05 ppm1      1.843 ppm2      3.769

 ASSI { 2569}
   (  segid "   A" and resid 129  and name  HG2#)
   (( segid "   A" and resid 128  and name  HA  ))
      3.207     1.487     1.603 peak  2569 weight  1.00000E+00 volume  5.06376E+04 ppm1      5.430 ppm2      0.702

 ASSI { 2571}
   (( segid "   A" and resid 128  and name  HA  ))
   (( segid "   A" and resid 175  and name  HA  ))
      3.448     1.724     1.724 peak  2571 weight  1.00000E+00 volume  5.44830E+05 ppm1      5.430 ppm2      4.808

 ASSI { 2572}
   (( segid "   A" and resid 128  and name  HA  ))
   (( segid "   A" and resid 128  and name  HN  ))
      3.755     1.878     1.878 peak  2572 weight  1.00000E+00 volume  3.26470E+05 ppm1      5.433 ppm2      7.415

 ASSI { 2573}
   (( segid "   A" and resid 128  and name  HB  ))
   (( segid "   A" and resid 128  and name  HN  ))
      4.013     2.006     2.006 peak  2573 weight  1.00000E+00 volume  2.19305E+05 ppm1      3.975 ppm2      7.409

 ASSI { 2574}
   (  segid "   A" and resid 129  and name  HG2#)
   (( segid "   A" and resid 129  and name  HA  ))
      3.258     1.538     1.629 peak  2574 weight  1.00000E+00 volume  5.53211E+04 ppm1      4.628 ppm2      0.696

 ASSI { 2576}
   (( segid "   A" and resid 130  and name  HG2 ))
   (( segid "   A" and resid 129  and name  HA  ))
      3.660     1.830     1.830 peak  2576 weight  1.00000E+00 volume  3.80627E+05 ppm1      4.623 ppm2      2.231

 ASSI { 2577}
   (( segid "   A" and resid 129  and name  HN  ))
   (( segid "   A" and resid 129  and name  HA  ))
      2.954     1.234     1.477 peak  2577 weight  1.00000E+00 volume  1.37918E+06 ppm1      4.627 ppm2      8.529

 ASSI { 2578}
   (( segid "   A" and resid 129  and name  HN  ))
   (( segid "   A" and resid 129  and name  HB  ))
      3.412     1.692     1.706 peak  2578 weight  1.00000E+00 volume  5.80518E+05 ppm1      1.990 ppm2      8.529

 ASSI { 2579}
   (( segid "   A" and resid 129  and name  HA  ))
   (( segid "   A" and resid 129  and name  HB  ))
      3.044     1.324     1.522 peak  2579 weight  1.00000E+00 volume  1.15166E+06 ppm1      1.986 ppm2      4.628

 ASSI { 2581}
   (  segid "   A" and resid 129  and name  HG1#)
   (( segid "   A" and resid 129  and name  HB  ))
      2.736     1.016     1.368 peak  2581 weight  1.00000E+00 volume  2.18261E+06 ppm1      1.989 ppm2      0.904

 ASSI { 2583}
   (  segid "   A" and resid 129  and name  HG2#)
   (( segid "   A" and resid 129  and name  HB  ))
      2.938     1.218     1.469 peak  2583 weight  1.00000E+00 volume  1.42292E+06 ppm1      1.992 ppm2      0.703

 ASSI { 2584}
   (( segid "   A" and resid 174  and name  HN  ))
   (( segid "   A" and resid 130  and name  HA  ))
      3.042     1.322     1.521 peak  2584 weight  1.00000E+00 volume  1.15546E+06 ppm1      5.471 ppm2      8.980

 ASSI { 2585}
   (( segid "   A" and resid 131  and name  HN  ))
   (( segid "   A" and resid 130  and name  HA  ))
      2.961     1.241     1.480 peak  2585 weight  1.00000E+00 volume  4.73470E+04 ppm1      5.469 ppm2      8.943

 ASSI { 2586}
   (( segid "   A" and resid 130  and name  HA  ))
   (( segid "   A" and resid 130  and name  HN  ))
      4.087     2.043     2.043 peak  2586 weight  1.00000E+00 volume  5.58225E+03 ppm1      5.479 ppm2      8.032

 ASSI { 2587}
   (( segid "   A" and resid 130  and name  HA  ))
   (( segid "   A" and resid 173  and name  HA  ))
      3.066     1.346     1.533 peak  2587 weight  1.00000E+00 volume  4.41392E+04 ppm1      5.471 ppm2      4.703

 ASSI { 2588}
   (( segid "   A" and resid 130  and name  HA  ))
   (( segid "   A" and resid 130  and name  HG2 ))
      3.565     1.782     1.782 peak  2588 weight  1.00000E+00 volume  9.80712E+03 ppm1      5.467 ppm2      2.229

 ASSI { 2589}
   (( segid "   A" and resid 130  and name  HA  ))
   (( segid "   A" and resid 130  and name  HB2 ))
      3.112     1.392     1.556 peak  2589 weight  1.00000E+00 volume  1.00698E+06 ppm1      5.467 ppm2      2.022

 ASSI { 2590}
   (( segid "   A" and resid 130  and name  HA  ))
   (( segid "   A" and resid 130  and name  HB1 ))
      3.265     1.545     1.633 peak  2590 weight  1.00000E+00 volume  7.55119E+05 ppm1      5.471 ppm2      1.885

 ASSI { 2591}
   (( segid "   A" and resid 130  and name  HA  ))
   (  segid "   A" and resid 129  and name  HG1#)
      3.907     1.953     1.953 peak  2591 weight  1.00000E+00 volume  9.80812E+03 ppm1      5.475 ppm2      0.906

 ASSI { 2592}
   (( segid "   A" and resid 130  and name  HA  ))
   (  segid "   A" and resid 129  and name  HG2#)
      3.444     1.722     1.722 peak  2592 weight  1.00000E+00 volume  1.53374E+04 ppm1      5.471 ppm2      0.701

 ASSI { 2595}
   (( segid "   A" and resid 130  and name  HN  ))
   (( segid "   A" and resid 130  and name  HB1 ))
      4.183     2.091     2.091 peak  2595 weight  1.00000E+00 volume  1.70960E+05 ppm1      1.886 ppm2      8.036

 ASSI { 2596}
   (( segid "   A" and resid 130  and name  HN  ))
   (( segid "   A" and resid 130  and name  HB2 ))
      4.291     2.145     2.145 peak  2596 weight  1.00000E+00 volume  1.46717E+05 ppm1      2.027 ppm2      8.031

 ASSI { 2597}
   (( segid "   A" and resid 131  and name  HN  ))
   (( segid "   A" and resid 130  and name  HB1 ))
      3.267     1.547     1.633 peak  2597 weight  1.00000E+00 volume  7.53444E+05 ppm1      1.884 ppm2      8.947

 ASSI { 2598}
   (( segid "   A" and resid 131  and name  HN  ))
   (( segid "   A" and resid 130  and name  HB2 ))
      4.108     2.054     2.054 peak  2598 weight  1.00000E+00 volume  1.90501E+05 ppm1      2.027 ppm2      8.949

 ASSI { 2599}
   (( segid "   A" and resid 131  and name  HN  ))
   (( segid "   A" and resid 131  and name  HA  ))
      3.872     1.936     1.936 peak  2599 weight  1.00000E+00 volume  2.71633E+05 ppm1      5.145 ppm2      8.946

 ASSI { 2600}
   (( segid "   A" and resid 155  and name  HG2 ))
   (( segid "   A" and resid 131  and name  HA  ))
      3.847     1.924     1.924 peak  2600 weight  1.00000E+00 volume  2.82354E+05 ppm1      5.165 ppm2      2.441

 ASSI { 2601}
   (( segid "   A" and resid 155  and name  HG1 ))
   (( segid "   A" and resid 131  and name  HA  ))
      3.950     1.975     1.975 peak  2601 weight  1.00000E+00 volume  2.41001E+05 ppm1      5.151 ppm2      2.308

 ASSI { 2602}
   (( segid "   A" and resid 131  and name  HA  ))
   (  segid "   A" and resid 131  and name  HD1#)
      3.954     1.977     1.977 peak  2602 weight  1.00000E+00 volume  2.39680E+05 ppm1      5.140 ppm2      0.807

 ASSI { 2604}
   (  segid "   A" and resid 131  and name  HD1#)
   (( segid "   A" and resid 131  and name  HB2 ))
      3.691     1.845     1.845 peak  2604 weight  1.00000E+00 volume  1.48912E+04 ppm1      1.754 ppm2      0.807

 ASSI { 2605}
   (  segid "   A" and resid 156  and name  HG2#)
   (( segid "   A" and resid 131  and name  HB2 ))
      3.519     1.759     1.759 peak  2605 weight  1.00000E+00 volume  4.82501E+05 ppm1      1.760 ppm2      1.160

 ASSI { 2606}
   (  segid "   A" and resid 154  and name  HG1#)
   (( segid "   A" and resid 131  and name  HB2 ))
      3.534     1.767     1.767 peak  2606 weight  1.00000E+00 volume  4.69642E+05 ppm1      1.758 ppm2      1.194

 ASSI { 2607}
   (( segid "   A" and resid 155  and name  HG1 ))
   (( segid "   A" and resid 131  and name  HB2 ))
      3.732     1.866     1.866 peak  2607 weight  1.00000E+00 volume  1.57538E+04 ppm1      1.765 ppm2      2.311

 ASSI { 2608}
   (( segid "   A" and resid 155  and name  HG2 ))
   (( segid "   A" and resid 131  and name  HB2 ))
      4.509     2.255     2.255 peak  2608 weight  1.00000E+00 volume  4.27562E+03 ppm1      1.758 ppm2      2.410

 ASSI { 2609}
   (( segid "   A" and resid 131  and name  HA  ))
   (( segid "   A" and resid 131  and name  HB2 ))
      4.174     2.087     2.087 peak  2609 weight  1.00000E+00 volume  1.11871E+04 ppm1      1.740 ppm2      5.139

 ASSI { 2610}
   (( segid "   A" and resid 156  and name  HN  ))
   (( segid "   A" and resid 131  and name  HB2 ))
      4.404     2.202     2.202 peak  2610 weight  1.00000E+00 volume  9.03838E+03 ppm1      1.758 ppm2      6.722

 ASSI { 2611}
   (( segid "   A" and resid 155  and name  HN  ))
   (( segid "   A" and resid 131  and name  HB2 ))
      4.323     2.161     2.161 peak  2611 weight  1.00000E+00 volume  7.10988E+03 ppm1      1.788 ppm2      8.396

 ASSI { 2612}
   (( segid "   A" and resid 131  and name  HN  ))
   (( segid "   A" and resid 131  and name  HB2 ))
      4.009     2.005     2.005 peak  2612 weight  1.00000E+00 volume  1.21786E+04 ppm1      1.755 ppm2      8.943

 ASSI { 2613}
   (( segid "   A" and resid 132  and name  HN  ))
   (( segid "   A" and resid 132  and name  HA  ))
      4.521     2.261     2.261 peak  2613 weight  1.00000E+00 volume  7.26050E+03 ppm1      4.783 ppm2      9.745

 ASSI { 2614}
   (( segid "   A" and resid 171  and name  HA  ))
   (( segid "   A" and resid 132  and name  HA  ))
      2.629     0.909     1.315 peak  2614 weight  1.00000E+00 volume  9.89181E+04 ppm1      4.785 ppm2      4.313

 ASSI { 2615}
   (( segid "   A" and resid 132  and name  HA  ))
   (( segid "   A" and resid 132  and name  HB  ))
      2.799     1.079     1.399 peak  2615 weight  1.00000E+00 volume  6.42398E+04 ppm1      4.784 ppm2      4.281

 ASSI { 2617}
   (  segid "   A" and resid 133  and name  HG2#)
   (( segid "   A" and resid 132  and name  HA  ))
      3.103     1.383     1.551 peak  2617 weight  1.00000E+00 volume  5.46356E+04 ppm1      4.785 ppm2      0.776

 ASSI { 2619}
   (( segid "   A" and resid 155  and name  HB2 ))
   (( segid "   A" and resid 132  and name  HB  ))
      4.579     2.289     2.289 peak  2619 weight  1.00000E+00 volume  -3.00475E+03 ppm1      4.284 ppm2      2.040

 ASSI { 2620}
   (( segid "   A" and resid 155  and name  HG1 ))
   (( segid "   A" and resid 132  and name  HB  ))
      8.000     4.000     0.000 peak  2620 weight  1.00000E+00 volume  1.91012E+03 ppm1      4.269 ppm2      2.317

 ASSI { 2621}
   (( segid "   A" and resid 155  and name  HG2 ))
   (( segid "   A" and resid 132  and name  HB  ))
      4.169     2.084     2.084 peak  2621 weight  1.00000E+00 volume  1.74373E+05 ppm1      4.281 ppm2      2.453

 ASSI { 2622}
   (( segid "   A" and resid 132  and name  HA  ))
   (( segid "   A" and resid 132  and name  HB  ))
      3.323     1.603     1.661 peak  2622 weight  1.00000E+00 volume  6.79977E+05 ppm1      4.273 ppm2      4.783

 ASSI { 2624}
   (( segid "   A" and resid 132  and name  HN  ))
   (  segid "   A" and resid 132  and name  HG2#)
      3.542     1.771     1.771 peak  2624 weight  1.00000E+00 volume  4.63734E+05 ppm1      1.082 ppm2      9.750

 ASSI { 2625}
   (( segid "   A" and resid 133  and name  HN  ))
   (  segid "   A" and resid 132  and name  HG2#)
      2.925     1.205     1.463 peak  2625 weight  1.00000E+00 volume  1.46179E+06 ppm1      1.085 ppm2      9.200

 ASSI { 2626}
   (( segid "   A" and resid 171  and name  HN  ))
   (  segid "   A" and resid 132  and name  HG2#)
      4.049     2.025     2.025 peak  2626 weight  1.00000E+00 volume  2.42198E+04 ppm1      1.090 ppm2      8.648

 ASSI { 2627}
   (( segid "   A" and resid 170  and name  HN  ))
   (  segid "   A" and resid 132  and name  HG2#)
      4.185     2.093     2.093 peak  2627 weight  1.00000E+00 volume  3.63551E+04 ppm1      1.078 ppm2      7.844

 ASSI { 2628}
   (  segid "   A" and resid 132  and name  HG2#)
   (( segid "   A" and resid 132  and name  HA  ))
      2.702     0.982     1.351 peak  2628 weight  1.00000E+00 volume  1.79521E+05 ppm1      1.085 ppm2      4.789

 ASSI { 2630}
   (( segid "   A" and resid 169  and name  HA2 ))
   (  segid "   A" and resid 132  and name  HG2#)
      2.553     0.833     1.276 peak  2630 weight  1.00000E+00 volume  2.42351E+05 ppm1      1.084 ppm2      4.387

 ASSI { 2631}
   (( segid "   A" and resid 171  and name  HA  ))
   (  segid "   A" and resid 132  and name  HG2#)
      2.770     1.050     1.385 peak  2631 weight  1.00000E+00 volume  1.59353E+05 ppm1      1.085 ppm2      4.301

 ASSI { 2632}
   (( segid "   A" and resid 169  and name  HA1 ))
   (  segid "   A" and resid 132  and name  HG2#)
      3.390     1.670     1.695 peak  2632 weight  1.00000E+00 volume  6.03501E+05 ppm1      1.087 ppm2      3.474

 ASSI { 2633}
   (  segid "   A" and resid 132  and name  HG2#)
   (( segid "   A" and resid 155  and name  HB2 ))
      3.192     1.472     1.596 peak  2633 weight  1.00000E+00 volume  -5.28945E+04 ppm1      1.079 ppm2      2.034

 ASSI { 2637}
   (  segid "   A" and resid 154  and name  HG1#)
   (( segid "   A" and resid 133  and name  HA  ))
      4.049     2.024     2.024 peak  2637 weight  1.00000E+00 volume  2.07832E+05 ppm1      4.026 ppm2      1.192

 ASSI { 2638}
   (( segid "   A" and resid 133  and name  HA  ))
   (( segid "   A" and resid 154  and name  HB  ))
      4.150     2.075     2.075 peak  2638 weight  1.00000E+00 volume  -1.79291E+05 ppm1      4.044 ppm2      1.967

 ASSI { 2639}
   (( segid "   A" and resid 154  and name  HA  ))
   (( segid "   A" and resid 133  and name  HA  ))
      3.875     1.938     1.938 peak  2639 weight  1.00000E+00 volume  2.70300E+05 ppm1      4.029 ppm2      4.252

 ASSI { 2641}
   (( segid "   A" and resid 155  and name  HN  ))
   (( segid "   A" and resid 133  and name  HA  ))
      4.324     2.162     2.162 peak  2641 weight  1.00000E+00 volume  1.76942E+04 ppm1      4.029 ppm2      8.385

 ASSI { 2642}
   (( segid "   A" and resid 133  and name  HN  ))
   (( segid "   A" and resid 133  and name  HA  ))
      4.780     2.390     2.390 peak  2642 weight  1.00000E+00 volume  8.22100E+03 ppm1      4.028 ppm2      9.195

 ASSI { 2643}
   (( segid "   A" and resid 134  and name  HN  ))
   (( segid "   A" and resid 133  and name  HA  ))
      4.070     2.035     2.035 peak  2643 weight  1.00000E+00 volume  1.80440E+04 ppm1      4.033 ppm2      9.424

 ASSI { 2646}
   (( segid "   A" and resid 133  and name  HN  ))
   (  segid "   A" and resid 133  and name  HG1#)
      3.132     1.412     1.566 peak  2646 weight  1.00000E+00 volume  1.74163E+05 ppm1      0.967 ppm2      9.197

 ASSI { 2648}
   (( segid "   A" and resid 153  and name  HN  ))
   (  segid "   A" and resid 133  and name  HG1#)
      2.769     1.049     1.384 peak  2648 weight  1.00000E+00 volume  1.02206E+05 ppm1      0.966 ppm2      9.104

 ASSI { 2649}
   (( segid "   A" and resid 169  and name  HN  ))
   (  segid "   A" and resid 133  and name  HG1#)
      3.325     1.605     1.663 peak  2649 weight  1.00000E+00 volume  4.61809E+04 ppm1      0.971 ppm2      8.791

 ASSI { 2650}
   (( segid "   A" and resid 170  and name  HN  ))
   (  segid "   A" and resid 133  and name  HG1#)
      3.813     1.906     1.906 peak  2650 weight  1.00000E+00 volume  6.11795E+04 ppm1      0.968 ppm2      7.845

 ASSI { 2656}
   (( segid "   A" and resid 154  and name  HA  ))
   (  segid "   A" and resid 133  and name  HG1#)
      3.939     1.970     1.970 peak  2656 weight  1.00000E+00 volume  -6.58798E+04 ppm1      0.968 ppm2      4.256

 ASSI { 2667}
   (( segid "   A" and resid 169  and name  HA1 ))
   (( segid "   A" and resid 134  and name  HA  ))
      5.418     2.709     2.582 peak  2667 weight  1.00000E+00 volume  7.10975E+03 ppm1      4.425 ppm2      3.499

 ASSI { 2668}
   (( segid "   A" and resid 134  and name  HA  ))
   (( segid "   A" and resid 134  and name  HB  ))
      3.035     1.315     1.518 peak  2668 weight  1.00000E+00 volume  1.02997E+05 ppm1      4.430 ppm2      4.145

 ASSI { 2670}
   (( segid "   A" and resid 169  and name  HN  ))
   (( segid "   A" and resid 134  and name  HA  ))
      4.071     2.035     2.035 peak  2670 weight  1.00000E+00 volume  1.76958E+04 ppm1      4.427 ppm2      8.790

 ASSI { 2671}
   (( segid "   A" and resid 134  and name  HN  ))
   (( segid "   A" and resid 134  and name  HA  ))
      3.801     1.900     1.900 peak  2671 weight  1.00000E+00 volume  2.58222E+04 ppm1      4.425 ppm2      9.422

 ASSI { 2672}
   (( segid "   A" and resid 134  and name  HN  ))
   (( segid "   A" and resid 134  and name  HB  ))
      4.001     2.000     2.000 peak  2672 weight  1.00000E+00 volume  7.89475E+03 ppm1      4.143 ppm2      9.421

 ASSI { 2683}
   (( segid "   A" and resid 137  and name  HN  ))
   (( segid "   A" and resid 136  and name  HA  ))
      4.348     2.174     2.174 peak  2683 weight  1.00000E+00 volume  4.62275E+03 ppm1      4.291 ppm2      8.178

 ASSI { 2684}
   (( segid "   A" and resid 136  and name  HN  ))
   (( segid "   A" and resid 136  and name  HB  ))
      6.168     3.084     1.832 peak  2684 weight  1.00000E+00 volume  -1.66295E+04 ppm1      4.314 ppm2      8.718

 ASSI { 2685}
   (( segid "   A" and resid 137  and name  HN  ))
   (( segid "   A" and resid 136  and name  HB  ))
      4.067     2.034     2.034 peak  2685 weight  1.00000E+00 volume  2.02198E+05 ppm1      4.312 ppm2      8.178

 ASSI { 2689}
   (( segid "   A" and resid 137  and name  HB1 ))
   (( segid "   A" and resid 137  and name  HA  ))
      2.723     1.003     1.361 peak  2689 weight  1.00000E+00 volume  1.54107E+05 ppm1      4.600 ppm2      1.907

 ASSI { 2690}
   (( segid "   A" and resid 137  and name  HB2 ))
   (( segid "   A" and resid 137  and name  HA  ))
      2.651     0.931     1.326 peak  2690 weight  1.00000E+00 volume  1.93999E+05 ppm1      4.611 ppm2      2.090

 ASSI { 2691}
   (( segid "   A" and resid 137  and name  HG2 ))
   (( segid "   A" and resid 137  and name  HA  ))
      3.072     1.352     1.536 peak  2691 weight  1.00000E+00 volume  7.84308E+04 ppm1      4.613 ppm2      2.313

 ASSI { 2692}
   (( segid "   A" and resid 137  and name  HN  ))
   (( segid "   A" and resid 137  and name  HA  ))
      3.723     1.862     1.862 peak  2692 weight  1.00000E+00 volume  4.85984E+04 ppm1      4.614 ppm2      8.172

 ASSI { 2693}
   (( segid "   A" and resid 137  and name  HN  ))
   (( segid "   A" and resid 137  and name  HB1 ))
      3.475     1.737     1.737 peak  2693 weight  1.00000E+00 volume  1.88556E+04 ppm1      1.906 ppm2      8.170

 ASSI { 2694}
   (( segid "   A" and resid 137  and name  HN  ))
   (( segid "   A" and resid 137  and name  HB2 ))
      4.120     2.060     2.060 peak  2694 weight  1.00000E+00 volume  1.41965E+04 ppm1      2.087 ppm2      8.174

 ASSI { 2695}
   (( segid "   A" and resid 137  and name  HB1 ))
   (( segid "   A" and resid 137  and name  HA  ))
      2.750     1.030     1.375 peak  2695 weight  1.00000E+00 volume  2.11892E+06 ppm1      1.907 ppm2      4.610

 ASSI { 2696}
   (( segid "   A" and resid 137  and name  HB2 ))
   (( segid "   A" and resid 137  and name  HA  ))
      2.725     1.005     1.362 peak  2696 weight  1.00000E+00 volume  2.23708E+06 ppm1      2.085 ppm2      4.612

 ASSI { 2697}
   (  segid "   A" and resid 164  and name  HD2#)
   (  segid "   A" and resid 148  and name  HB# )
      2.345     0.625     1.172 peak  2697 weight  1.00000E+00 volume  5.50754E+06 ppm1      1.400 ppm2      0.839

 ASSI { 2698}
   (  segid "   A" and resid 164  and name  HD1#)
   (  segid "   A" and resid 148  and name  HB# )
      2.991     1.271     1.496 peak  2698 weight  1.00000E+00 volume  1.27865E+06 ppm1      1.397 ppm2      0.630

 ASSI { 2700}
   (( segid "   A" and resid 149  and name  HA  ))
   (( segid "   A" and resid 149  and name  HB  ))
      3.110     1.390     1.555 peak  2700 weight  1.00000E+00 volume  6.03412E+04 ppm1      4.782 ppm2      3.936

 ASSI { 2701}
   (( segid "   A" and resid 163  and name  HA  ))
   (( segid "   A" and resid 149  and name  HA  ))
      2.699     0.979     1.349 peak  2701 weight  1.00000E+00 volume  2.36870E+06 ppm1      4.774 ppm2      4.285

 ASSI { 2702}
   (( segid "   A" and resid 164  and name  HN  ))
   (( segid "   A" and resid 149  and name  HA  ))
      7.287     3.644     0.713 peak  2702 weight  1.00000E+00 volume  6.11462E+03 ppm1      4.781 ppm2      7.790

 ASSI { 2703}
   (( segid "   A" and resid 149  and name  HA  ))
   (( segid "   A" and resid 149  and name  HN  ))
      5.404     2.702     2.596 peak  2703 weight  1.00000E+00 volume  3.67494E+04 ppm1      4.779 ppm2      7.906

 ASSI { 2704}
   (( segid "   A" and resid 149  and name  HB  ))
   (( segid "   A" and resid 149  and name  HN  ))
      4.389     2.194     2.194 peak  2704 weight  1.00000E+00 volume  1.28111E+05 ppm1      3.930 ppm2      7.882

 ASSI { 2705}
   (( segid "   A" and resid 161  and name  HA  ))
   (( segid "   A" and resid 149  and name  HB  ))
      3.857     1.928     1.928 peak  2705 weight  1.00000E+00 volume  2.78223E+05 ppm1      3.926 ppm2      5.309

 ASSI { 2706}
   (( segid "   A" and resid 149  and name  HA  ))
   (( segid "   A" and resid 149  and name  HB  ))
      2.927     1.207     1.463 peak  2706 weight  1.00000E+00 volume  1.45694E+06 ppm1      3.926 ppm2      4.762

 ASSI { 2707}
   (  segid "   A" and resid 164  and name  HD2#)
   (( segid "   A" and resid 150  and name  HA  ))
      4.341     2.170     2.170 peak  2707 weight  1.00000E+00 volume  -1.36898E+05 ppm1      4.731 ppm2      0.834

 ASSI { 2709}
   (  segid "   A" and resid 164  and name  HD1#)
   (( segid "   A" and resid 150  and name  HB2 ))
      2.785     1.065     1.392 peak  2709 weight  1.00000E+00 volume  1.96395E+06 ppm1      1.693 ppm2      0.633

 ASSI { 2710}
   (  segid "   A" and resid 164  and name  HD1#)
   (( segid "   A" and resid 150  and name  HB2 ))
      2.792     1.072     1.396 peak  2710 weight  1.00000E+00 volume  8.35212E+04 ppm1      1.691 ppm2      0.680

 ASSI { 2712}
   (( segid "   A" and resid 164  and name  HA  ))
   (( segid "   A" and resid 150  and name  HB2 ))
      7.595     3.798     0.405 peak  2712 weight  1.00000E+00 volume  6.87162E+03 ppm1      1.702 ppm2      3.527

 ASSI { 2713}
   (( segid "   A" and resid 150  and name  HA  ))
   (( segid "   A" and resid 150  and name  HB2 ))
      2.708     0.988     1.354 peak  2713 weight  1.00000E+00 volume  1.03854E+05 ppm1      1.688 ppm2      4.724

 ASSI { 2715}
   (( segid "   A" and resid 162  and name  HN  ))
   (( segid "   A" and resid 151  and name  HA  ))
      4.395     2.198     2.198 peak  2715 weight  1.00000E+00 volume  7.78675E+03 ppm1      4.680 ppm2      9.288

 ASSI { 2716}
   (  segid "   A" and resid 152  and name  HB# )
   (( segid "   A" and resid 151  and name  HA  ))
      4.085     2.042     2.042 peak  2716 weight  1.00000E+00 volume  1.84742E+04 ppm1      4.648 ppm2      1.221

 ASSI { 2717}
   (( segid "   A" and resid 151  and name  HB2 ))
   (( segid "   A" and resid 151  and name  HA  ))
      2.431     0.711     1.215 peak  2717 weight  1.00000E+00 volume  2.15358E+05 ppm1      3.602 ppm2      4.688

 ASSI { 2718}
   (( segid "   A" and resid 152  and name  HA  ))
   (( segid "   A" and resid 136  and name  HA  ))
      3.431     1.711     1.716 peak  2718 weight  1.00000E+00 volume  5.60812E+05 ppm1      4.922 ppm2      4.298

 ASSI { 2719}
   (( segid "   A" and resid 152  and name  HA  ))
   (( segid "   A" and resid 136  and name  HB  ))
      3.318     1.598     1.659 peak  2719 weight  1.00000E+00 volume  6.86469E+05 ppm1      4.922 ppm2      4.315

 ASSI { 2720}
   (( segid "   A" and resid 152  and name  HN  ))
   (( segid "   A" and resid 152  and name  HA  ))
      3.889     1.945     1.945 peak  2720 weight  1.00000E+00 volume  2.64537E+05 ppm1      4.924 ppm2      9.177

 ASSI { 2721}
   (( segid "   A" and resid 152  and name  HN  ))
   (  segid "   A" and resid 152  and name  HB# )
      2.831     1.111     1.416 peak  2721 weight  1.00000E+00 volume  8.86700E+04 ppm1      1.222 ppm2      9.188

 ASSI { 2722}
   (( segid "   A" and resid 162  and name  HN  ))
   (  segid "   A" and resid 152  and name  HB# )
      3.457     1.729     1.729 peak  2722 weight  1.00000E+00 volume  1.72005E+04 ppm1      1.227 ppm2      9.285

 ASSI { 2723}
   (( segid "   A" and resid 153  and name  HN  ))
   (  segid "   A" and resid 152  and name  HB# )
      2.869     1.149     1.434 peak  2723 weight  1.00000E+00 volume  1.04521E+05 ppm1      1.224 ppm2      9.102

 ASSI { 2724}
   (( segid "   A" and resid 160  and name  HN  ))
   (  segid "   A" and resid 152  and name  HB# )
      3.598     1.799     1.799 peak  2724 weight  1.00000E+00 volume  1.62541E+04 ppm1      1.228 ppm2      8.870

 ASSI { 2725}
   (  segid "   A" and resid 152  and name  HB# )
   (( segid "   A" and resid 137  and name  HN  ))
      4.004     2.002     2.002 peak  2725 weight  1.00000E+00 volume  -2.22263E+05 ppm1      1.213 ppm2      8.170

 ASSI { 2726}
   (( segid "   A" and resid 152  and name  HA  ))
   (  segid "   A" and resid 152  and name  HB# )
      2.914     1.194     1.457 peak  2726 weight  1.00000E+00 volume  1.49521E+06 ppm1      1.227 ppm2      4.923

 ASSI { 2729}
   (  segid "   A" and resid 152  and name  HB# )
   (  segid "   A" and resid 133  and name  HG2#)
      2.492     0.772     1.246 peak  2729 weight  1.00000E+00 volume  2.39784E+05 ppm1      1.223 ppm2      0.775

 ASSI { 2730}
   (  segid "   A" and resid 154  and name  HG1#)
   (( segid "   A" and resid 153  and name  HA  ))
      3.180     1.460     1.590 peak  2730 weight  1.00000E+00 volume  8.84522E+05 ppm1      5.112 ppm2      1.191

 ASSI { 2731}
   (( segid "   A" and resid 153  and name  HB  ))
   (( segid "   A" and resid 153  and name  HA  ))
      4.298     2.149     2.149 peak  2731 weight  1.00000E+00 volume  1.45201E+05 ppm1      5.112 ppm2      3.769

 ASSI { 2732}
   (( segid "   A" and resid 159  and name  HA  ))
   (( segid "   A" and resid 153  and name  HA  ))
      3.590     1.795     1.795 peak  2732 weight  1.00000E+00 volume  2.47518E+04 ppm1      5.118 ppm2      5.227

 ASSI { 2733}
   (( segid "   A" and resid 158  and name  HN  ))
   (( segid "   A" and resid 153  and name  HA  ))
      4.464     2.232     2.232 peak  2733 weight  1.00000E+00 volume  6.99550E+03 ppm1      5.092 ppm2      7.045

 ASSI { 2734}
   (( segid "   A" and resid 160  and name  HN  ))
   (( segid "   A" and resid 153  and name  HA  ))
      3.605     1.802     1.802 peak  2734 weight  1.00000E+00 volume  1.89582E+04 ppm1      5.116 ppm2      8.883

 ASSI { 2735}
   (( segid "   A" and resid 153  and name  HN  ))
   (( segid "   A" and resid 153  and name  HA  ))
      3.908     1.954     1.954 peak  2735 weight  1.00000E+00 volume  9.21762E+03 ppm1      5.112 ppm2      9.104

 ASSI { 2736}
   (( segid "   A" and resid 153  and name  HN  ))
   (( segid "   A" and resid 153  and name  HB  ))
      3.523     1.761     1.761 peak  2736 weight  1.00000E+00 volume  4.79135E+05 ppm1      3.772 ppm2      9.102

 ASSI { 2737}
   (( segid "   A" and resid 153  and name  HB  ))
   (( segid "   A" and resid 153  and name  HA  ))
      3.955     1.978     1.978 peak  2737 weight  1.00000E+00 volume  2.39095E+05 ppm1      3.773 ppm2      5.127

 ASSI { 2738}
   (( segid "   A" and resid 154  and name  HA  ))
   (  segid "   A" and resid 133  and name  HG2#)
      3.470     1.735     1.735 peak  2738 weight  1.00000E+00 volume  5.24838E+05 ppm1      4.257 ppm2      0.778

 ASSI { 2739}
   (( segid "   A" and resid 154  and name  HA  ))
   (  segid "   A" and resid 134  and name  HG2#)
      3.455     1.728     1.728 peak  2739 weight  1.00000E+00 volume  5.37942E+05 ppm1      4.256 ppm2      0.787

 ASSI { 2740}
   (( segid "   A" and resid 154  and name  HA  ))
   (  segid "   A" and resid 133  and name  HG1#)
      3.615     1.807     1.807 peak  2740 weight  1.00000E+00 volume  4.10546E+05 ppm1      4.255 ppm2      0.971

 ASSI { 2741}
   (  segid "   A" and resid 154  and name  HG1#)
   (( segid "   A" and resid 154  and name  HA  ))
      4.050     2.025     2.025 peak  2741 weight  1.00000E+00 volume  2.07374E+05 ppm1      4.254 ppm2      1.191

 ASSI { 2742}
   (( segid "   A" and resid 154  and name  HA  ))
   (( segid "   A" and resid 133  and name  HA  ))
      3.375     1.655     1.688 peak  2742 weight  1.00000E+00 volume  1.41771E+04 ppm1      4.256 ppm2      4.033

 ASSI { 2743}
   (( segid "   A" and resid 154  and name  HN  ))
   (( segid "   A" and resid 154  and name  HA  ))
      5.260     2.630     2.630 peak  2743 weight  1.00000E+00 volume  -4.32175E+04 ppm1      4.254 ppm2      8.758

 ASSI { 2745}
   (( segid "   A" and resid 154  and name  HN  ))
   (( segid "   A" and resid 154  and name  HB  ))
      3.940     1.970     1.970 peak  2745 weight  1.00000E+00 volume  1.63145E+04 ppm1      1.948 ppm2      8.750

 ASSI { 2746}
   (( segid "   A" and resid 155  and name  HN  ))
   (( segid "   A" and resid 154  and name  HB  ))
      3.777     1.889     1.889 peak  2746 weight  1.00000E+00 volume  1.62078E+04 ppm1      1.955 ppm2      8.410

 ASSI { 2747}
   (( segid "   A" and resid 156  and name  HN  ))
   (( segid "   A" and resid 154  and name  HB  ))
      5.287     2.644     2.644 peak  2747 weight  1.00000E+00 volume  7.92888E+03 ppm1      1.943 ppm2      6.729

 ASSI { 2748}
   (( segid "   A" and resid 154  and name  HA  ))
   (( segid "   A" and resid 154  and name  HB  ))
      3.994     1.997     1.997 peak  2748 weight  1.00000E+00 volume  1.87829E+04 ppm1      1.955 ppm2      4.274

 ASSI { 2749}
   (( segid "   A" and resid 155  and name  HG2 ))
   (( segid "   A" and resid 154  and name  HB  ))
      3.383     1.663     1.691 peak  2749 weight  1.00000E+00 volume  1.28449E+04 ppm1      1.954 ppm2      2.446

 ASSI { 2752}
   (  segid "   A" and resid 131  and name  HD1#)
   (( segid "   A" and resid 154  and name  HB  ))
      3.082     1.362     1.541 peak  2752 weight  1.00000E+00 volume  6.67086E+04 ppm1      1.955 ppm2      0.802

 ASSI { 2754}
   (( segid "   A" and resid 155  and name  HG1 ))
   (( segid "   A" and resid 155  and name  HA  ))
      3.172     1.452     1.586 peak  2754 weight  1.00000E+00 volume  2.74450E+04 ppm1      4.272 ppm2      2.314

 ASSI { 2755}
   (( segid "   A" and resid 156  and name  HN  ))
   (( segid "   A" and resid 155  and name  HA  ))
      3.509     1.755     1.755 peak  2755 weight  1.00000E+00 volume  1.83419E+04 ppm1      4.273 ppm2      6.722

 ASSI { 2756}
   (( segid "   A" and resid 155  and name  HN  ))
   (( segid "   A" and resid 155  and name  HA  ))
      3.188     1.468     1.594 peak  2756 weight  1.00000E+00 volume  8.72086E+05 ppm1      4.272 ppm2      8.383

 ASSI { 2758}
   (( segid "   A" and resid 156  and name  HN  ))
   (( segid "   A" and resid 155  and name  HB2 ))
      4.870     2.435     2.435 peak  2758 weight  1.00000E+00 volume  -6.86541E+04 ppm1      2.033 ppm2      6.718

 ASSI { 2759}
   (( segid "   A" and resid 155  and name  HA  ))
   (( segid "   A" and resid 155  and name  HB2 ))
      2.832     1.112     1.416 peak  2759 weight  1.00000E+00 volume  1.77475E+06 ppm1      2.040 ppm2      4.260

 ASSI { 2760}
   (( segid "   A" and resid 155  and name  HG2 ))
   (( segid "   A" and resid 155  and name  HB2 ))
      2.724     1.004     1.362 peak  2760 weight  1.00000E+00 volume  2.24104E+06 ppm1      2.035 ppm2      2.449

 ASSI { 2761}
   (  segid "   A" and resid 132  and name  HG2#)
   (( segid "   A" and resid 155  and name  HB2 ))
      3.833     1.917     1.917 peak  2761 weight  1.00000E+00 volume  2.88522E+05 ppm1      2.036 ppm2      1.084

 ASSI { 2763}
   (( segid "   A" and resid 156  and name  HA  ))
   (( segid "   A" and resid 155  and name  HG1 ))
      3.801     1.901     1.901 peak  2763 weight  1.00000E+00 volume  2.48089E+04 ppm1      4.486 ppm2      2.315

 ASSI { 2764}
   (( segid "   A" and resid 156  and name  HA  ))
   (( segid "   A" and resid 155  and name  HG2 ))
      4.022     2.011     2.011 peak  2764 weight  1.00000E+00 volume  4.56650E+03 ppm1      4.484 ppm2      2.412

 ASSI { 2766}
   (( segid "   A" and resid 104  and name  HN  ))
   (( segid "   A" and resid 156  and name  HB  ))
      6.492     3.246     1.508 peak  2766 weight  1.00000E+00 volume  6.68662E+03 ppm1      3.814 ppm2      7.318

 ASSI { 2768}
   (( segid "   A" and resid 156  and name  HA  ))
   (( segid "   A" and resid 156  and name  HB  ))
      4.474     2.237     2.237 peak  2768 weight  1.00000E+00 volume  3.12000E+02 ppm1      3.814 ppm2      4.477

 ASSI { 2771}
   (  segid "   A" and resid 156  and name  HG2#)
   (( segid "   A" and resid 156  and name  HB  ))
      3.111     1.391     1.556 peak  2771 weight  1.00000E+00 volume  1.00901E+06 ppm1      3.810 ppm2      1.161

 ASSI { 2775}
   (( segid "   A" and resid 158  and name  HA  ))
   (( segid "   A" and resid 158  and name  HB2 ))
      3.438     1.718     1.719 peak  2775 weight  1.00000E+00 volume  2.36861E+04 ppm1      4.467 ppm2      3.062

 ASSI { 2776}
   (  segid "   A" and resid 158  and name  HD# )
   (( segid "   A" and resid 158  and name  HA  ))
      3.146     1.426     1.573 peak  2776 weight  1.00000E+00 volume  5.18854E+04 ppm1      4.468 ppm2      6.843

 ASSI { 2777}
   (( segid "   A" and resid 158  and name  HA  ))
   (( segid "   A" and resid 158  and name  HN  ))
      3.559     1.779     1.779 peak  2777 weight  1.00000E+00 volume  2.36000E+04 ppm1      4.485 ppm2      7.058

 ASSI { 2778}
   (( segid "   A" and resid 159  and name  HN  ))
   (( segid "   A" and resid 158  and name  HA  ))
      3.360     1.640     1.680 peak  2778 weight  1.00000E+00 volume  3.16539E+04 ppm1      4.475 ppm2      7.251

 ASSI { 2779}
   (( segid "   A" and resid 154  and name  HN  ))
   (( segid "   A" and resid 158  and name  HB2 ))
      4.305     2.152     2.152 peak  2779 weight  1.00000E+00 volume  5.96388E+03 ppm1      3.076 ppm2      8.770

 ASSI { 2780}
   (( segid "   A" and resid 158  and name  HB2 ))
   (( segid "   A" and resid 158  and name  HN  ))
      3.321     1.601     1.660 peak  2780 weight  1.00000E+00 volume  3.57476E+04 ppm1      3.061 ppm2      7.052

 ASSI { 2782}
   (  segid "   A" and resid 158  and name  HD# )
   (( segid "   A" and resid 158  and name  HB2 ))
      3.775     1.888     1.888 peak  2782 weight  1.00000E+00 volume  2.80341E+04 ppm1      3.062 ppm2      6.840

 ASSI { 2783}
   (( segid "   A" and resid 158  and name  HA  ))
   (( segid "   A" and resid 158  and name  HB2 ))
      3.868     1.934     1.934 peak  2783 weight  1.00000E+00 volume  1.51898E+04 ppm1      3.063 ppm2      4.474

 ASSI { 2784}
   (( segid "   A" and resid 158  and name  HB2 ))
   (  segid "   A" and resid 154  and name  HG1#)
      3.931     1.966     1.966 peak  2784 weight  1.00000E+00 volume  2.48036E+05 ppm1      3.064 ppm2      1.193

 ASSI { 2786}
   (( segid "   A" and resid 158  and name  HB2 ))
   (  segid "   A" and resid 131  and name  HD1#)
      5.041     2.520     2.520 peak  2786 weight  1.00000E+00 volume  1.70751E+04 ppm1      3.060 ppm2      0.801

 ASSI { 2787}
   (  segid "   A" and resid 160  and name  HD1#)
   (( segid "   A" and resid 158  and name  HB2 ))
      3.824     1.912     1.912 peak  2787 weight  1.00000E+00 volume  1.97652E+04 ppm1      3.067 ppm2      0.721

 ASSI { 2788}
   (( segid "   A" and resid 160  and name  HA  ))
   (  segid "   A" and resid 160  and name  HD1#)
      3.340     1.620     1.670 peak  2788 weight  1.00000E+00 volume  4.20161E+04 ppm1      4.579 ppm2      0.719

 ASSI { 2789}
   (( segid "   A" and resid 160  and name  HA  ))
   (( segid "   A" and resid 160  and name  HB2 ))
      4.689     2.345     2.345 peak  2789 weight  1.00000E+00 volume  8.29575E+03 ppm1      4.580 ppm2      1.531

 ASSI { 2790}
   (( segid "   A" and resid 161  and name  HN  ))
   (( segid "   A" and resid 160  and name  HA  ))
      2.673     0.953     1.337 peak  2790 weight  1.00000E+00 volume  1.72019E+05 ppm1      4.580 ppm2      8.104

 ASSI { 2791}
   (( segid "   A" and resid 160  and name  HN  ))
   (( segid "   A" and resid 160  and name  HA  ))
      3.436     1.716     1.718 peak  2791 weight  1.00000E+00 volume  3.35012E+04 ppm1      4.576 ppm2      8.883

 ASSI { 2792}
   (( segid "   A" and resid 160  and name  HN  ))
   (( segid "   A" and resid 160  and name  HB2 ))
      3.783     1.891     1.891 peak  2792 weight  1.00000E+00 volume  1.72234E+04 ppm1      1.561 ppm2      8.883

 ASSI { 2793}
   (( segid "   A" and resid 161  and name  HN  ))
   (( segid "   A" and resid 160  and name  HB2 ))
      5.361     2.680     2.639 peak  2793 weight  1.00000E+00 volume  6.20938E+03 ppm1      1.540 ppm2      8.099

 ASSI { 2794}
   (( segid "   A" and resid 160  and name  HA  ))
   (( segid "   A" and resid 160  and name  HB2 ))
      3.893     1.946     1.946 peak  2794 weight  1.00000E+00 volume  2.87695E+04 ppm1      1.558 ppm2      4.577

 ASSI { 2796}
   (  segid "   A" and resid 160  and name  HD1#)
   (( segid "   A" and resid 160  and name  HB2 ))
      2.847     1.127     1.424 peak  2796 weight  1.00000E+00 volume  1.71897E+06 ppm1      1.561 ppm2      0.718

 ASSI { 2798}
   (  segid "   A" and resid 160  and name  HD1#)
   (  segid "   A" and resid 154  and name  HG1#)
      2.531     0.811     1.266 peak  2798 weight  1.00000E+00 volume  3.47982E+06 ppm1      0.710 ppm2      1.195

 ASSI { 2799}
   (  segid "   A" and resid 160  and name  HD1#)
   (  segid "   A" and resid 152  and name  HB# )
      2.588     0.868     1.294 peak  2799 weight  1.00000E+00 volume  7.75392E+04 ppm1      0.709 ppm2      1.223

 ASSI { 2801}
   (  segid "   A" and resid 160  and name  HD1#)
   (( segid "   A" and resid 160  and name  HB2 ))
      2.336     0.616     1.168 peak  2801 weight  1.00000E+00 volume  1.48142E+05 ppm1      0.716 ppm2      1.564

 ASSI { 2803}
   (  segid "   A" and resid 160  and name  HD1#)
   (( segid "   A" and resid 158  and name  HB2 ))
      3.875     1.937     1.937 peak  2803 weight  1.00000E+00 volume  -2.70587E+05 ppm1      0.717 ppm2      3.065

 ASSI { 2804}
   (( segid "   A" and resid 160  and name  HA  ))
   (  segid "   A" and resid 160  and name  HD1#)
      3.578     1.789     1.789 peak  2804 weight  1.00000E+00 volume  4.36492E+05 ppm1      0.714 ppm2      4.572

 ASSI { 2805}
   (( segid "   A" and resid 161  and name  HA  ))
   (  segid "   A" and resid 160  and name  HD1#)
      3.168     1.448     1.584 peak  2805 weight  1.00000E+00 volume  9.05426E+05 ppm1      0.716 ppm2      5.306

 ASSI { 2806}
   (  segid "   A" and resid 160  and name  HD1#)
   (  segid "   A" and resid 158  and name  HD# )
      3.646     1.823     1.823 peak  2806 weight  1.00000E+00 volume  3.89867E+05 ppm1      0.702 ppm2      6.840

 ASSI { 2807}
   (( segid "   A" and resid 161  and name  HN  ))
   (  segid "   A" and resid 160  and name  HD1#)
      4.150     2.075     2.075 peak  2807 weight  1.00000E+00 volume  7.94775E+03 ppm1      0.714 ppm2      8.089

 ASSI { 2808}
   (( segid "   A" and resid 160  and name  HN  ))
   (  segid "   A" and resid 160  and name  HD1#)
      3.145     1.425     1.573 peak  2808 weight  1.00000E+00 volume  -1.33520E+04 ppm1      0.718 ppm2      8.885

 ASSI { 2809}
   (( segid "   A" and resid 152  and name  HN  ))
   (  segid "   A" and resid 160  and name  HD1#)
      6.408     3.204     1.592 peak  2809 weight  1.00000E+00 volume  1.44362E+04 ppm1      0.718 ppm2      9.193

 ASSI { 2810}
   (( segid "   A" and resid 152  and name  HN  ))
   (( segid "   A" and resid 161  and name  HA  ))
      3.453     1.727     1.727 peak  2810 weight  1.00000E+00 volume  2.36322E+04 ppm1      5.307 ppm2      9.188

 ASSI { 2811}
   (( segid "   A" and resid 161  and name  HA  ))
   (( segid "   A" and resid 161  and name  HN  ))
      4.007     2.004     2.004 peak  2811 weight  1.00000E+00 volume  2.21162E+05 ppm1      5.305 ppm2      8.101

 ASSI { 2812}
   (( segid "   A" and resid 161  and name  HA  ))
   (( segid "   A" and resid 149  and name  HB  ))
      3.834     1.917     1.917 peak  2812 weight  1.00000E+00 volume  2.88320E+05 ppm1      5.313 ppm2      3.928

 ASSI { 2813}
   (( segid "   A" and resid 161  and name  HA  ))
   (( segid "   A" and resid 161  and name  HB2 ))
      4.037     2.018     2.018 peak  2813 weight  1.00000E+00 volume  1.49536E+04 ppm1      5.305 ppm2      2.632

 ASSI { 2814}
   (( segid "   A" and resid 161  and name  HA  ))
   (  segid "   A" and resid 160  and name  HD1#)
      3.202     1.482     1.601 peak  2814 weight  1.00000E+00 volume  8.49681E+05 ppm1      5.305 ppm2      0.717

 ASSI { 2815}
   (( segid "   A" and resid 161  and name  HA  ))
   (  segid "   A" and resid 162  and name  HG1#)
      3.933     1.967     1.967 peak  2815 weight  1.00000E+00 volume  1.70502E+04 ppm1      5.302 ppm2      0.549

 ASSI { 2816}
   (( segid "   A" and resid 161  and name  HB2 ))
   (  segid "   A" and resid 149  and name  HG2#)
      3.850     1.925     1.925 peak  2816 weight  1.00000E+00 volume  1.37884E+04 ppm1      2.631 ppm2      0.827

 ASSI { 2817}
   (( segid "   A" and resid 161  and name  HB2 ))
   (( segid "   A" and resid 149  and name  HB  ))
      4.117     2.059     2.059 peak  2817 weight  1.00000E+00 volume  1.47525E+04 ppm1      2.616 ppm2      3.920

 ASSI { 2818}
   (( segid "   A" and resid 161  and name  HA  ))
   (( segid "   A" and resid 161  and name  HB2 ))
      3.588     1.794     1.794 peak  2818 weight  1.00000E+00 volume  1.34582E+04 ppm1      2.619 ppm2      5.305

 ASSI { 2819}
   (( segid "   A" and resid 161  and name  HN  ))
   (( segid "   A" and resid 161  and name  HB2 ))
      3.652     1.826     1.826 peak  2819 weight  1.00000E+00 volume  2.96115E+04 ppm1      2.635 ppm2      8.100

 ASSI { 2820}
   (( segid "   A" and resid 150  and name  HN  ))
   (( segid "   A" and resid 161  and name  HB2 ))
      7.243     3.621     0.757 peak  2820 weight  1.00000E+00 volume  6.12750E+03 ppm1      2.635 ppm2      9.076

 ASSI { 2821}
   (( segid "   A" and resid 162  and name  HN  ))
   (( segid "   A" and resid 161  and name  HB2 ))
      4.263     2.132     2.132 peak  2821 weight  1.00000E+00 volume  8.63162E+03 ppm1      2.631 ppm2      9.286

 ASSI { 2822}
   (( segid "   A" and resid 162  and name  HN  ))
   (( segid "   A" and resid 162  and name  HA  ))
      3.534     1.767     1.767 peak  2822 weight  1.00000E+00 volume  4.70143E+05 ppm1      4.426 ppm2      9.292

 ASSI { 2823}
   (( segid "   A" and resid 181  and name  HB2 ))
   (( segid "   A" and resid 162  and name  HA  ))
      3.871     1.935     1.935 peak  2823 weight  1.00000E+00 volume  2.72192E+05 ppm1      4.423 ppm2      3.093

 ASSI { 2824}
   (( segid "   A" and resid 181  and name  HB1 ))
   (( segid "   A" and resid 162  and name  HA  ))
      3.923     1.962     1.962 peak  2824 weight  1.00000E+00 volume  2.51131E+05 ppm1      4.428 ppm2      2.992

 ASSI { 2825}
   (( segid "   A" and resid 162  and name  HB  ))
   (( segid "   A" and resid 162  and name  HA  ))
      4.282     2.141     2.141 peak  2825 weight  1.00000E+00 volume  5.87775E+03 ppm1      4.426 ppm2      2.250

 ASSI { 2827}
   (  segid "   A" and resid 149  and name  HG2#)
   (( segid "   A" and resid 162  and name  HA  ))
      3.945     1.973     1.973 peak  2827 weight  1.00000E+00 volume  1.67038E+04 ppm1      4.404 ppm2      0.828

 ASSI { 2828}
   (  segid "   A" and resid 162  and name  HG1#)
   (( segid "   A" and resid 162  and name  HA  ))
      4.524     2.262     2.262 peak  2828 weight  1.00000E+00 volume  1.06772E+05 ppm1      4.438 ppm2      0.546

 ASSI { 2829}
   (( segid "   A" and resid 162  and name  HB  ))
   (  segid "   A" and resid 162  and name  HG1#)
      3.662     1.831     1.831 peak  2829 weight  1.00000E+00 volume  3.79858E+05 ppm1      2.260 ppm2      0.573

 ASSI { 2830}
   (( segid "   A" and resid 162  and name  HB  ))
   (( segid "   A" and resid 162  and name  HA  ))
      2.992     1.272     1.496 peak  2830 weight  1.00000E+00 volume  5.97792E+04 ppm1      2.253 ppm2      4.443

 ASSI { 2831}
   (( segid "   A" and resid 162  and name  HN  ))
   (( segid "   A" and resid 162  and name  HB  ))
      4.197     2.098     2.098 peak  2831 weight  1.00000E+00 volume  8.31738E+03 ppm1      2.258 ppm2      9.286

 ASSI { 2832}
   (( segid "   A" and resid 162  and name  HN  ))
   (  segid "   A" and resid 162  and name  HG1#)
      3.312     1.592     1.656 peak  2832 weight  1.00000E+00 volume  2.96559E+04 ppm1      0.547 ppm2      9.288

 ASSI { 2833}
   (( segid "   A" and resid 152  and name  HN  ))
   (  segid "   A" and resid 162  and name  HG1#)
      4.291     2.146     2.146 peak  2833 weight  1.00000E+00 volume  3.18434E+04 ppm1      0.547 ppm2      9.190

 ASSI { 2834}
   (( segid "   A" and resid 150  and name  HN  ))
   (  segid "   A" and resid 162  and name  HG1#)
      4.221     2.111     2.111 peak  2834 weight  1.00000E+00 volume  2.84811E+04 ppm1      0.546 ppm2      9.083

 ASSI { 2835}
   (( segid "   A" and resid 161  and name  HA  ))
   (  segid "   A" and resid 162  and name  HG1#)
      6.327     3.163     1.673 peak  2835 weight  1.00000E+00 volume  -2.09316E+04 ppm1      0.548 ppm2      5.305

 ASSI { 2836}
   (( segid "   A" and resid 181  and name  HB1 ))
   (  segid "   A" and resid 162  and name  HG1#)
      4.423     2.211     2.211 peak  2836 weight  1.00000E+00 volume  2.03809E+04 ppm1      0.546 ppm2      2.988

 ASSI { 2837}
   (( segid "   A" and resid 162  and name  HB  ))
   (  segid "   A" and resid 162  and name  HG1#)
      3.949     1.974     1.974 peak  2837 weight  1.00000E+00 volume  -1.83649E+04 ppm1      0.549 ppm2      2.257

 ASSI { 2839}
   (  segid "   A" and resid 162  and name  HG1#)
   (  segid "   A" and resid 152  and name  HB# )
      3.261     1.541     1.630 peak  2839 weight  1.00000E+00 volume  4.29336E+04 ppm1      0.549 ppm2      1.222

 ASSI { 2840}
   (( segid "   A" and resid 163  and name  HA  ))
   (  segid "   A" and resid 149  and name  HG2#)
      3.114     1.394     1.557 peak  2840 weight  1.00000E+00 volume  1.00440E+06 ppm1      4.281 ppm2      0.831

 ASSI { 2841}
   (( segid "   A" and resid 163  and name  HA  ))
   (( segid "   A" and resid 163  and name  HB2 ))
      3.784     1.892     1.892 peak  2841 weight  1.00000E+00 volume  3.36580E+04 ppm1      4.280 ppm2      2.007

 ASSI { 2842}
   (( segid "   A" and resid 163  and name  HA  ))
   (( segid "   A" and resid 149  and name  HA  ))
      2.936     1.216     1.468 peak  2842 weight  1.00000E+00 volume  1.42946E+06 ppm1      4.283 ppm2      4.776

 ASSI { 2843}
   (( segid "   A" and resid 150  and name  HN  ))
   (( segid "   A" and resid 163  and name  HA  ))
      4.235     2.118     2.118 peak  2843 weight  1.00000E+00 volume  1.58642E+05 ppm1      4.279 ppm2      9.085

 ASSI { 2844}
   (( segid "   A" and resid 164  and name  HN  ))
   (( segid "   A" and resid 163  and name  HB2 ))
      4.632     2.316     2.316 peak  2844 weight  1.00000E+00 volume  -9.27014E+04 ppm1      2.005 ppm2      7.794

 ASSI { 2845}
   (( segid "   A" and resid 165  and name  HN  ))
   (( segid "   A" and resid 163  and name  HB2 ))
      4.693     2.347     2.347 peak  2845 weight  1.00000E+00 volume  1.13208E+04 ppm1      2.029 ppm2      6.440

 ASSI { 2846}
   (( segid "   A" and resid 163  and name  HA  ))
   (( segid "   A" and resid 163  and name  HB2 ))
      2.894     1.174     1.447 peak  2846 weight  1.00000E+00 volume  4.91821E+04 ppm1      2.002 ppm2      4.286

 ASSI { 2847}
   (( segid "   A" and resid 166  and name  HA  ))
   (( segid "   A" and resid 163  and name  HB2 ))
      4.779     2.390     2.390 peak  2847 weight  1.00000E+00 volume  1.45164E+04 ppm1      2.001 ppm2      3.815

 ASSI { 2848}
   (( segid "   A" and resid 164  and name  HA  ))
   (( segid "   A" and resid 164  and name  HB2 ))
      3.548     1.774     1.774 peak  2848 weight  1.00000E+00 volume  2.49485E+04 ppm1      3.512 ppm2      1.643

 ASSI { 2849}
   (( segid "   A" and resid 164  and name  HA  ))
   (( segid "   A" and resid 150  and name  HB2 ))
      3.690     1.845     1.845 peak  2849 weight  1.00000E+00 volume  1.74640E+04 ppm1      3.522 ppm2      1.693

 ASSI { 2850}
   (( segid "   A" and resid 165  and name  HN  ))
   (( segid "   A" and resid 164  and name  HA  ))
      4.527     2.263     2.263 peak  2850 weight  1.00000E+00 volume  8.54025E+03 ppm1      3.510 ppm2      6.451

 ASSI { 2851}
   (( segid "   A" and resid 166  and name  HN  ))
   (( segid "   A" and resid 164  and name  HA  ))
      6.771     3.385     1.229 peak  2851 weight  1.00000E+00 volume  6.54938E+03 ppm1      3.522 ppm2      6.711

 ASSI { 2852}
   (( segid "   A" and resid 164  and name  HA  ))
   (( segid "   A" and resid 164  and name  HN  ))
      3.816     1.908     1.908 peak  2852 weight  1.00000E+00 volume  2.96557E+05 ppm1      3.516 ppm2      7.789

 ASSI { 2853}
   (( segid "   A" and resid 164  and name  HN  ))
   (( segid "   A" and resid 164  and name  HB2 ))
      3.545     1.773     1.773 peak  2853 weight  1.00000E+00 volume  4.61006E+05 ppm1      1.673 ppm2      7.800

 ASSI { 2854}
   (( segid "   A" and resid 165  and name  HN  ))
   (( segid "   A" and resid 164  and name  HB2 ))
      4.651     2.325     2.325 peak  2854 weight  1.00000E+00 volume  9.04625E+04 ppm1      1.687 ppm2      6.449

 ASSI { 2855}
   (( segid "   A" and resid 164  and name  HA  ))
   (( segid "   A" and resid 164  and name  HB2 ))
      4.614     2.307     2.307 peak  2855 weight  1.00000E+00 volume  6.35250E+03 ppm1      1.653 ppm2      3.536

 ASSI { 2856}
   (( segid "   A" and resid 164  and name  HB2 ))
   (( segid "   A" and resid 165  and name  HB2 ))
      3.953     1.977     1.977 peak  2856 weight  1.00000E+00 volume  1.22316E+04 ppm1      1.688 ppm2      3.467

 ASSI { 2857}
   (( segid "   A" and resid 164  and name  HB2 ))
   (  segid "   A" and resid 164  and name  HD2#)
      2.934     1.214     1.467 peak  2857 weight  1.00000E+00 volume  5.59440E+04 ppm1      1.663 ppm2      0.833

 ASSI { 2858}
   (( segid "   A" and resid 164  and name  HB2 ))
   (  segid "   A" and resid 164  and name  HD1#)
      3.052     1.332     1.526 peak  2858 weight  1.00000E+00 volume  4.02788E+04 ppm1      1.661 ppm2      0.636

 ASSI { 2859}
   (  segid "   A" and resid 164  and name  HD1#)
   (( segid "   A" and resid 150  and name  HB2 ))
      2.745     1.025     1.372 peak  2859 weight  1.00000E+00 volume  1.41958E+05 ppm1      0.630 ppm2      1.693

 ASSI { 2860}
   (  segid "   A" and resid 164  and name  HD1#)
   (( segid "   A" and resid 150  and name  HA  ))
      3.058     1.338     1.529 peak  2860 weight  1.00000E+00 volume  1.12049E+06 ppm1      0.630 ppm2      4.730

 ASSI { 2861}
   (  segid "   A" and resid 164  and name  HD1#)
   (( segid "   A" and resid 149  and name  HA  ))
      3.213     1.493     1.607 peak  2861 weight  1.00000E+00 volume  8.31402E+05 ppm1      0.628 ppm2      4.780

 ASSI { 2862}
   (( segid "   A" and resid 164  and name  HN  ))
   (  segid "   A" and resid 164  and name  HD1#)
      3.990     1.995     1.995 peak  2862 weight  1.00000E+00 volume  -2.27051E+05 ppm1      0.630 ppm2      7.792

 ASSI { 2863}
   (( segid "   A" and resid 150  and name  HN  ))
   (  segid "   A" and resid 164  and name  HD1#)
      3.602     1.801     1.801 peak  2863 weight  1.00000E+00 volume  4.19416E+05 ppm1      0.627 ppm2      9.082

 ASSI { 2865}
   (( segid "   A" and resid 164  and name  HN  ))
   (  segid "   A" and resid 164  and name  HD2#)
      3.528     1.764     1.764 peak  2865 weight  1.00000E+00 volume  4.75175E+05 ppm1      0.844 ppm2      7.802

 ASSI { 2868}
   (( segid "   A" and resid 164  and name  HA  ))
   (  segid "   A" and resid 164  and name  HD2#)
      3.892     1.946     1.946 peak  2868 weight  1.00000E+00 volume  2.63327E+05 ppm1      0.823 ppm2      3.528

 ASSI { 2870}
   (( segid "   A" and resid 164  and name  HB2 ))
   (  segid "   A" and resid 164  and name  HD2#)
      2.351     0.631     1.175 peak  2870 weight  1.00000E+00 volume  1.33974E+05 ppm1      0.842 ppm2      1.652

 ASSI { 2872}
   (  segid "   A" and resid 166  and name  HG1#)
   (( segid "   A" and resid 165  and name  HA  ))
      4.122     2.061     2.061 peak  2872 weight  1.00000E+00 volume  1.86761E+05 ppm1      4.488 ppm2      0.662

 ASSI { 2873}
   (( segid "   A" and resid 165  and name  HA  ))
   (( segid "   A" and resid 165  and name  HB2 ))
      3.541     1.771     1.771 peak  2873 weight  1.00000E+00 volume  4.64039E+05 ppm1      4.494 ppm2      3.470

 ASSI { 2875}
   (( segid "   A" and resid 166  and name  HN  ))
   (( segid "   A" and resid 165  and name  HA  ))
      3.604     1.802     1.802 peak  2875 weight  1.00000E+00 volume  1.97616E+04 ppm1      4.493 ppm2      6.726

 ASSI { 2876}
   (( segid "   A" and resid 165  and name  HA  ))
   (  segid "   A" and resid 165  and name  HD# )
      3.816     1.908     1.908 peak  2876 weight  1.00000E+00 volume  1.05134E+04 ppm1      4.495 ppm2      7.103

 ASSI { 2877}
   (( segid "   A" and resid 165  and name  HN  ))
   (( segid "   A" and resid 165  and name  HB2 ))
      5.132     2.566     2.566 peak  2877 weight  1.00000E+00 volume  7.12100E+03 ppm1      3.475 ppm2      6.446

 ASSI { 2878}
   (( segid "   A" and resid 164  and name  HB2 ))
   (( segid "   A" and resid 165  and name  HB2 ))
      4.396     2.198     2.198 peak  2878 weight  1.00000E+00 volume  7.25475E+03 ppm1      3.450 ppm2      1.651

 ASSI { 2879}
   (( segid "   A" and resid 166  and name  HA  ))
   (( segid "   A" and resid 166  and name  HB  ))
      3.861     1.930     1.930 peak  2879 weight  1.00000E+00 volume  1.20101E+04 ppm1      3.813 ppm2      1.719

 ASSI { 2880}
   (( segid "   A" and resid 166  and name  HA  ))
   (( segid "   A" and resid 163  and name  HB2 ))
      6.414     3.207     1.586 peak  2880 weight  1.00000E+00 volume  5.91900E+03 ppm1      3.815 ppm2      2.025

 ASSI { 2881}
   (( segid "   A" and resid 166  and name  HN  ))
   (( segid "   A" and resid 166  and name  HA  ))
      3.644     1.822     1.822 peak  2881 weight  1.00000E+00 volume  1.46878E+04 ppm1      3.815 ppm2      6.728

 ASSI { 2882}
   (( segid "   A" and resid 166  and name  HN  ))
   (( segid "   A" and resid 166  and name  HB  ))
      3.727     1.863     1.863 peak  2882 weight  1.00000E+00 volume  3.41713E+05 ppm1      1.718 ppm2      6.730

 ASSI { 2884}
   (( segid "   A" and resid 166  and name  HB  ))
   (  segid "   A" and resid 162  and name  HG1#)
      3.154     1.434     1.577 peak  2884 weight  1.00000E+00 volume  5.35899E+04 ppm1      1.715 ppm2      0.545

 ASSI { 2885}
   (  segid "   A" and resid 166  and name  HG1#)
   (( segid "   A" and resid 133  and name  HB  ))
      2.752     1.032     1.376 peak  2885 weight  1.00000E+00 volume  -1.83236E+04 ppm1      0.680 ppm2      1.900

 ASSI { 2887}
   (( segid "   A" and resid 166  and name  HA  ))
   (  segid "   A" and resid 166  and name  HG1#)
      2.603     0.883     1.301 peak  2887 weight  1.00000E+00 volume  6.61306E+04 ppm1      0.681 ppm2      3.817

 ASSI { 2889}
   (( segid "   A" and resid 167  and name  HA  ))
   (  segid "   A" and resid 166  and name  HG1#)
      3.091     1.371     1.545 peak  2889 weight  1.00000E+00 volume  8.98512E+03 ppm1      0.680 ppm2      5.048

 ASSI { 2890}
   (( segid "   A" and resid 166  and name  HN  ))
   (  segid "   A" and resid 166  and name  HG1#)
      2.656     0.936     1.328 peak  2890 weight  1.00000E+00 volume  2.60833E+06 ppm1      0.682 ppm2      6.729

 ASSI { 2892}
   (( segid "   A" and resid 167  and name  HN  ))
   (  segid "   A" and resid 166  and name  HG1#)
      2.659     0.939     1.330 peak  2892 weight  1.00000E+00 volume  2.58900E+06 ppm1      0.683 ppm2      9.124

 ASSI { 2893}
   (( segid "   A" and resid 167  and name  HA  ))
   (( segid "   A" and resid 167  and name  HB1 ))
      3.306     1.586     1.653 peak  2893 weight  1.00000E+00 volume  7.01606E+05 ppm1      5.051 ppm2      2.609

 ASSI { 2894}
   (( segid "   A" and resid 168  and name  HG2 ))
   (( segid "   A" and resid 167  and name  HA  ))
      4.119     2.060     2.060 peak  2894 weight  1.00000E+00 volume  1.87410E+05 ppm1      5.040 ppm2      2.289

 ASSI { 2895}
   (( segid "   A" and resid 167  and name  HA  ))
   (  segid "   A" and resid 166  and name  HG1#)
      3.997     1.999     1.999 peak  2895 weight  1.00000E+00 volume  2.24436E+05 ppm1      5.046 ppm2      0.688

 ASSI { 2896}
   (( segid "   A" and resid 167  and name  HB1 ))
   (  segid "   A" and resid 166  and name  HG1#)
      4.026     2.013     2.013 peak  2896 weight  1.00000E+00 volume  2.15150E+05 ppm1      2.607 ppm2      0.681

 ASSI { 2897}
   (( segid "   A" and resid 167  and name  HB2 ))
   (  segid "   A" and resid 166  and name  HG1#)
      3.486     1.743     1.743 peak  2897 weight  1.00000E+00 volume  5.10562E+05 ppm1      2.686 ppm2      0.679

 ASSI { 2898}
   (( segid "   A" and resid 167  and name  HB1 ))
   (( segid "   A" and resid 167  and name  HN  ))
      3.683     1.842     1.842 peak  2898 weight  1.00000E+00 volume  3.66701E+05 ppm1      2.606 ppm2      9.128

 ASSI { 2899}
   (( segid "   A" and resid 167  and name  HB2 ))
   (( segid "   A" and resid 167  and name  HN  ))
      3.668     1.834     1.834 peak  2899 weight  1.00000E+00 volume  3.76057E+05 ppm1      2.687 ppm2      9.123

 ASSI { 2900}
   (( segid "   A" and resid 169  and name  HN  ))
   (( segid "   A" and resid 168  and name  HB2 ))
      3.684     1.842     1.842 peak  2900 weight  1.00000E+00 volume  1.99962E+04 ppm1      1.872 ppm2      8.790

 ASSI { 2901}
   (( segid "   A" and resid 168  and name  HN  ))
   (( segid "   A" and resid 168  and name  HB2 ))
      3.684     1.842     1.842 peak  2901 weight  1.00000E+00 volume  1.99962E+04 ppm1      1.872 ppm2      8.785

 ASSI { 2902}
   (( segid "   A" and resid 168  and name  HG2 ))
   (  segid "   A" and resid 166  and name  HG1#)
      3.761     1.880     1.880 peak  2902 weight  1.00000E+00 volume  2.38701E+04 ppm1      2.288 ppm2      0.682

 ASSI { 2903}
   (( segid "   A" and resid 168  and name  HG2 ))
   (( segid "   A" and resid 167  and name  HA  ))
      4.824     2.412     2.412 peak  2903 weight  1.00000E+00 volume  8.52225E+03 ppm1      2.275 ppm2      5.052

 ASSI { 2904}
   (( segid "   A" and resid 168  and name  HG2 ))
   (( segid "   A" and resid 168  and name  HN  ))
      3.255     1.535     1.627 peak  2904 weight  1.00000E+00 volume  6.95178E+04 ppm1      2.284 ppm2      8.788

 ASSI { 2905}
   (( segid "   A" and resid 170  and name  HN  ))
   (( segid "   A" and resid 169  and name  HA2 ))
      4.195     2.097     2.097 peak  2905 weight  1.00000E+00 volume  5.66625E+03 ppm1      4.392 ppm2      7.854

 ASSI { 2906}
   (( segid "   A" and resid 170  and name  HN  ))
   (( segid "   A" and resid 169  and name  HA1 ))
      4.916     2.458     2.458 peak  2906 weight  1.00000E+00 volume  4.34888E+03 ppm1      3.496 ppm2      7.851

 ASSI { 2907}
   (( segid "   A" and resid 133  and name  HN  ))
   (( segid "   A" and resid 171  and name  HA  ))
      3.865     1.933     1.933 peak  2907 weight  1.00000E+00 volume  1.31904E+04 ppm1      4.325 ppm2      9.199

 ASSI { 2908}
   (( segid "   A" and resid 171  and name  HA  ))
   (( segid "   A" and resid 171  and name  HN  ))
      5.641     2.820     2.359 peak  2908 weight  1.00000E+00 volume  -9.49212E+03 ppm1      4.301 ppm2      8.653

 ASSI { 2909}
   (( segid "   A" and resid 171  and name  HA  ))
   (( segid "   A" and resid 132  and name  HA  ))
      2.968     1.248     1.484 peak  2909 weight  1.00000E+00 volume  1.33885E+06 ppm1      4.299 ppm2      4.789

 ASSI { 2910}
   (( segid "   A" and resid 171  and name  HA  ))
   (( segid "   A" and resid 171  and name  HB  ))
      4.160     2.080     2.080 peak  2910 weight  1.00000E+00 volume  -1.76729E+05 ppm1      4.302 ppm2      1.888

 ASSI { 2911}
   (( segid "   A" and resid 171  and name  HA  ))
   (  segid "   A" and resid 132  and name  HG2#)
      4.213     2.106     2.106 peak  2911 weight  1.00000E+00 volume  -1.63826E+05 ppm1      4.299 ppm2      1.080

 ASSI { 2913}
   (( segid "   A" and resid 171  and name  HA  ))
   (  segid "   A" and resid 133  and name  HG2#)
      3.451     1.726     1.726 peak  2913 weight  1.00000E+00 volume  5.41909E+05 ppm1      4.299 ppm2      0.781

 ASSI { 2914}
   (( segid "   A" and resid 174  and name  HN  ))
   (( segid "   A" and resid 173  and name  HA  ))
      3.927     1.964     1.964 peak  2914 weight  1.00000E+00 volume  1.36919E+04 ppm1      4.664 ppm2      8.978

 ASSI { 2915}
   (( segid "   A" and resid 131  and name  HN  ))
   (( segid "   A" and resid 173  and name  HA  ))
      3.512     1.756     1.756 peak  2915 weight  1.00000E+00 volume  2.75884E+04 ppm1      4.664 ppm2      8.949

 ASSI { 2916}
   (( segid "   A" and resid 173  and name  HN  ))
   (( segid "   A" and resid 173  and name  HA  ))
      3.609     1.805     1.805 peak  2916 weight  1.00000E+00 volume  2.23482E+04 ppm1      4.664 ppm2      8.795

 ASSI { 2917}
   (( segid "   A" and resid 130  and name  HA  ))
   (( segid "   A" and resid 173  and name  HA  ))
      4.135     2.068     2.068 peak  2917 weight  1.00000E+00 volume  1.19112E+03 ppm1      4.665 ppm2      5.473

 ASSI { 2918}
   (( segid "   A" and resid 130  and name  HB2 ))
   (( segid "   A" and resid 173  and name  HA  ))
      3.530     1.765     1.765 peak  2918 weight  1.00000E+00 volume  1.51746E+04 ppm1      4.649 ppm2      2.025

 ASSI { 2920}
   (( segid "   A" and resid 130  and name  HB1 ))
   (( segid "   A" and resid 173  and name  HA  ))
      4.044     2.022     2.022 peak  2920 weight  1.00000E+00 volume  4.27125E+03 ppm1      4.656 ppm2      1.882

 ASSI { 2921}
   (  segid "   A" and resid 182  and name  HD1#)
   (( segid "   A" and resid 173  and name  HB  ))
      3.582     1.791     1.791 peak  2921 weight  1.00000E+00 volume  4.33620E+05 ppm1      1.900 ppm2      1.000

 ASSI { 2922}
   (( segid "   A" and resid 182  and name  HN  ))
   (( segid "   A" and resid 173  and name  HB  ))
      4.260     2.130     2.130 peak  2922 weight  1.00000E+00 volume  1.53090E+05 ppm1      1.896 ppm2      8.480

 ASSI { 2923}
   (( segid "   A" and resid 173  and name  HN  ))
   (( segid "   A" and resid 173  and name  HB  ))
      4.067     2.033     2.033 peak  2923 weight  1.00000E+00 volume  2.02424E+05 ppm1      1.912 ppm2      8.790

 ASSI { 2924}
   (( segid "   A" and resid 174  and name  HN  ))
   (( segid "   A" and resid 174  and name  HA  ))
      3.740     1.870     1.870 peak  2924 weight  1.00000E+00 volume  3.34524E+05 ppm1      4.610 ppm2      8.981

 ASSI { 2925}
   (( segid "   A" and resid 175  and name  HN  ))
   (( segid "   A" and resid 174  and name  HA  ))
      3.647     1.824     1.824 peak  2925 weight  1.00000E+00 volume  3.88774E+05 ppm1      4.608 ppm2      8.880

 ASSI { 2926}
   (( segid "   A" and resid 181  and name  HB2 ))
   (( segid "   A" and resid 174  and name  HA  ))
      6.392     3.196     1.608 peak  2926 weight  1.00000E+00 volume  -2.00710E+04 ppm1      4.599 ppm2      3.096

 ASSI { 2927}
   (( segid "   A" and resid 181  and name  HB1 ))
   (( segid "   A" and resid 174  and name  HA  ))
      4.714     2.357     2.357 peak  2927 weight  1.00000E+00 volume  -9.67250E+02 ppm1      4.605 ppm2      2.988

 ASSI { 2928}
   (( segid "   A" and resid 174  and name  HB  ))
   (( segid "   A" and resid 174  and name  HA  ))
      3.952     1.976     1.976 peak  2928 weight  1.00000E+00 volume  9.63312E+03 ppm1      4.605 ppm2      1.535

 ASSI { 2929}
   (  segid "   A" and resid 182  and name  HD1#)
   (( segid "   A" and resid 174  and name  HA  ))
      3.601     1.801     1.801 peak  2929 weight  1.00000E+00 volume  1.38744E+04 ppm1      4.605 ppm2      1.003

 ASSI { 2930}
   (  segid "   A" and resid 174  and name  HG2#)
   (( segid "   A" and resid 174  and name  HA  ))
      3.265     1.545     1.632 peak  2930 weight  1.00000E+00 volume  2.46204E+04 ppm1      4.605 ppm2      0.714

 ASSI { 2931}
   (( segid "   A" and resid 174  and name  HB  ))
   (  segid "   A" and resid 131  and name  HD1#)
      2.704     0.984     1.352 peak  2931 weight  1.00000E+00 volume  1.17666E+05 ppm1      1.535 ppm2      0.803

 ASSI { 2933}
   (( segid "   A" and resid 174  and name  HB  ))
   (( segid "   A" and resid 174  and name  HA  ))
      3.459     1.729     1.729 peak  2933 weight  1.00000E+00 volume  5.34535E+05 ppm1      1.537 ppm2      4.606

 ASSI { 2934}
   (( segid "   A" and resid 129  and name  HN  ))
   (( segid "   A" and resid 174  and name  HB  ))
      3.984     1.992     1.992 peak  2934 weight  1.00000E+00 volume  2.28831E+05 ppm1      1.534 ppm2      8.527

 ASSI { 2935}
   (( segid "   A" and resid 174  and name  HN  ))
   (( segid "   A" and resid 174  and name  HB  ))
      3.622     1.811     1.811 peak  2935 weight  1.00000E+00 volume  4.05420E+05 ppm1      1.537 ppm2      8.983

 ASSI { 2937}
   (( segid "   A" and resid 129  and name  HN  ))
   (( segid "   A" and resid 175  and name  HA  ))
      3.865     1.932     1.932 peak  2937 weight  1.00000E+00 volume  2.74661E+05 ppm1      4.806 ppm2      8.529

 ASSI { 2938}
   (( segid "   A" and resid 128  and name  HA  ))
   (( segid "   A" and resid 175  and name  HA  ))
      3.889     1.944     1.944 peak  2938 weight  1.00000E+00 volume  1.69341E+04 ppm1      4.812 ppm2      5.424

 ASSI { 2939}
   (( segid "   A" and resid 175  and name  HA  ))
   (( segid "   A" and resid 175  and name  HB1 ))
      3.528     1.764     1.764 peak  2939 weight  1.00000E+00 volume  6.07088E+03 ppm1      4.775 ppm2      2.713

 ASSI { 2940}
   (  segid "   A" and resid 182  and name  HD1#)
   (( segid "   A" and resid 175  and name  HA  ))
      4.500     2.250     2.250 peak  2940 weight  1.00000E+00 volume  2.41108E+04 ppm1      4.810 ppm2      1.008

 ASSI { 2941}
   (  segid "   A" and resid 128  and name  HG2#)
   (( segid "   A" and resid 175  and name  HA  ))
      3.526     1.763     1.763 peak  2941 weight  1.00000E+00 volume  4.76110E+05 ppm1      4.807 ppm2      0.969

 ASSI { 2942}
   (  segid "   A" and resid 174  and name  HG2#)
   (( segid "   A" and resid 175  and name  HA  ))
      2.927     1.207     1.464 peak  2942 weight  1.00000E+00 volume  1.45491E+06 ppm1      4.810 ppm2      0.715

 ASSI { 2943}
   (  segid "   A" and resid 182  and name  HD1#)
   (( segid "   A" and resid 175  and name  HB1 ))
      4.692     2.346     2.346 peak  2943 weight  1.00000E+00 volume  -8.57758E+04 ppm1      2.729 ppm2      1.005

 ASSI { 2946}
   (( segid "   A" and resid 175  and name  HA  ))
   (( segid "   A" and resid 175  and name  HB1 ))
      4.125     2.062     2.062 peak  2946 weight  1.00000E+00 volume  1.85923E+05 ppm1      2.720 ppm2      4.804

 ASSI { 2947}
   (( segid "   A" and resid 180  and name  HN  ))
   (( segid "   A" and resid 175  and name  HB2 ))
      5.171     2.585     2.585 peak  2947 weight  1.00000E+00 volume  -4.78934E+04 ppm1      3.158 ppm2      8.102

 ASSI { 2948}
   (( segid "   A" and resid 180  and name  HN  ))
   (( segid "   A" and resid 175  and name  HB1 ))
      4.702     2.351     2.351 peak  2948 weight  1.00000E+00 volume  8.47550E+04 ppm1      2.721 ppm2      8.098

 ASSI { 2950}
   (( segid "   A" and resid 175  and name  HN  ))
   (( segid "   A" and resid 175  and name  HB1 ))
      4.099     2.050     2.050 peak  2950 weight  1.00000E+00 volume  1.92968E+05 ppm1      2.723 ppm2      8.879

 ASSI { 2952}
   (( segid "   A" and resid 176  and name  HN  ))
   (( segid "   A" and resid 176  and name  HA  ))
      3.799     1.900     1.900 peak  2952 weight  1.00000E+00 volume  3.04530E+05 ppm1      2.875 ppm2      8.275

 ASSI { 2953}
   (( segid "   A" and resid 179  and name  HN  ))
   (( segid "   A" and resid 176  and name  HA  ))
      4.143     2.072     2.072 peak  2953 weight  1.00000E+00 volume  1.33965E+04 ppm1      2.892 ppm2      8.139

 ASSI { 2954}
   (( segid "   A" and resid 178  and name  HN  ))
   (( segid "   A" and resid 176  and name  HA  ))
      4.358     2.179     2.179 peak  2954 weight  1.00000E+00 volume  1.33729E+05 ppm1      2.865 ppm2      7.079

 ASSI { 2955}
   (( segid "   A" and resid 179  and name  HA1 ))
   (( segid "   A" and resid 176  and name  HA  ))
      4.106     2.053     2.053 peak  2955 weight  1.00000E+00 volume  8.67125E+03 ppm1      2.888 ppm2      3.913

 ASSI { 2956}
   (  segid "   A" and resid 174  and name  HG2#)
   (( segid "   A" and resid 176  and name  HA  ))
      3.032     1.312     1.516 peak  2956 weight  1.00000E+00 volume  4.23172E+04 ppm1      2.877 ppm2      0.702

 ASSI { 2957}
   (( segid "   A" and resid 176  and name  HN  ))
   (( segid "   A" and resid 176  and name  HB  ))
      4.029     2.014     2.014 peak  2957 weight  1.00000E+00 volume  1.20289E+04 ppm1      3.753 ppm2      8.290

 ASSI { 2962}
   (( segid "   A" and resid 178  and name  HB1 ))
   (( segid "   A" and resid 178  and name  HA  ))
      4.095     2.047     2.047 peak  2962 weight  1.00000E+00 volume  1.93614E+04 ppm1      4.741 ppm2      3.066

 ASSI { 2963}
   (( segid "   A" and resid 178  and name  HN  ))
   (( segid "   A" and resid 178  and name  HA  ))
      3.423     1.703     1.711 peak  2963 weight  1.00000E+00 volume  2.96688E+04 ppm1      4.743 ppm2      7.079

 ASSI { 2964}
   (( segid "   A" and resid 179  and name  HN  ))
   (( segid "   A" and resid 178  and name  HA  ))
      4.120     2.060     2.060 peak  2964 weight  1.00000E+00 volume  7.87100E+03 ppm1      4.738 ppm2      8.157

 ASSI { 2965}
   (( segid "   A" and resid 179  and name  HN  ))
   (( segid "   A" and resid 178  and name  HB1 ))
      4.619     2.309     2.309 peak  2965 weight  1.00000E+00 volume  -9.42948E+04 ppm1      3.077 ppm2      8.157

 ASSI { 2966}
   (( segid "   A" and resid 178  and name  HB2 ))
   (( segid "   A" and resid 178  and name  HN  ))
      3.428     1.708     1.714 peak  2966 weight  1.00000E+00 volume  5.63768E+05 ppm1      2.413 ppm2      7.069

 ASSI { 2967}
   (( segid "   A" and resid 178  and name  HB1 ))
   (( segid "   A" and resid 178  and name  HN  ))
      3.153     1.433     1.577 peak  2967 weight  1.00000E+00 volume  5.41855E+04 ppm1      3.063 ppm2      7.077

 ASSI { 2968}
   (( segid "   A" and resid 178  and name  HB1 ))
   (( segid "   A" and resid 178  and name  HA  ))
      2.594     0.874     1.297 peak  2968 weight  1.00000E+00 volume  1.10156E+05 ppm1      3.067 ppm2      4.736

 ASSI { 2969}
   (( segid "   A" and resid 178  and name  HB2 ))
   (( segid "   A" and resid 178  and name  HA  ))
      2.844     1.124     1.422 peak  2969 weight  1.00000E+00 volume  1.72834E+06 ppm1      2.435 ppm2      4.734

 ASSI { 2970}
   (( segid "   A" and resid 178  and name  HB2 ))
   (( segid "   A" and resid 175  and name  HB2 ))
      4.663     2.332     2.332 peak  2970 weight  1.00000E+00 volume  8.90041E+04 ppm1      2.446 ppm2      3.160

 ASSI { 2971}
   (( segid "   A" and resid 178  and name  HB2 ))
   (( segid "   A" and resid 178  and name  HB1 ))
      3.385     1.665     1.692 peak  2971 weight  1.00000E+00 volume  6.08591E+05 ppm1      2.446 ppm2      3.068

 ASSI { 2972}
   (( segid "   A" and resid 179  and name  HA1 ))
   (  segid "   A" and resid 174  and name  HG2#)
      3.497     1.748     1.748 peak  2972 weight  1.00000E+00 volume  2.71989E+04 ppm1      3.929 ppm2      0.705

 ASSI { 2973}
   (( segid "   A" and resid 179  and name  HA1 ))
   (( segid "   A" and resid 176  and name  HA  ))
      7.370     3.685     0.630 peak  2973 weight  1.00000E+00 volume  6.10075E+03 ppm1      3.931 ppm2      2.843

 ASSI { 2974}
   (( segid "   A" and resid 179  and name  HA2 ))
   (( segid "   A" and resid 179  and name  HA1 ))
      3.112     1.392     1.556 peak  2974 weight  1.00000E+00 volume  3.17934E+04 ppm1      3.916 ppm2      4.355

 ASSI { 2975}
   (( segid "   A" and resid 180  and name  HN  ))
   (( segid "   A" and resid 179  and name  HA1 ))
      3.883     1.941     1.941 peak  2975 weight  1.00000E+00 volume  1.23316E+04 ppm1      3.924 ppm2      8.101

 ASSI { 2976}
   (( segid "   A" and resid 179  and name  HN  ))
   (( segid "   A" and resid 179  and name  HA1 ))
      3.610     1.805     1.805 peak  2976 weight  1.00000E+00 volume  4.13331E+05 ppm1      3.920 ppm2      8.154

 ASSI { 2977}
   (( segid "   A" and resid 181  and name  HN  ))
   (( segid "   A" and resid 180  and name  HA  ))
      3.068     1.348     1.534 peak  2977 weight  1.00000E+00 volume  1.09863E+06 ppm1      4.591 ppm2      8.625

 ASSI { 2978}
   (( segid "   A" and resid 180  and name  HB2 ))
   (( segid "   A" and resid 180  and name  HA  ))
      3.016     1.296     1.508 peak  2978 weight  1.00000E+00 volume  1.21683E+06 ppm1      3.841 ppm2      4.600

 ASSI { 2979}
   (( segid "   A" and resid 180  and name  HN  ))
   (( segid "   A" and resid 180  and name  HB2 ))
      3.894     1.947     1.947 peak  2979 weight  1.00000E+00 volume  2.62420E+05 ppm1      3.840 ppm2      8.100

 ASSI { 2980}
   (( segid "   A" and resid 180  and name  HB2 ))
   (( segid "   A" and resid 181  and name  HN  ))
      4.018     2.009     2.009 peak  2980 weight  1.00000E+00 volume  2.17505E+05 ppm1      3.839 ppm2      8.620

 ASSI { 2981}
   (( segid "   A" and resid 175  and name  HN  ))
   (( segid "   A" and resid 181  and name  HA  ))
      3.850     1.925     1.925 peak  2981 weight  1.00000E+00 volume  2.81102E+05 ppm1      4.623 ppm2      8.880

 ASSI { 2982}
   (( segid "   A" and resid 181  and name  HN  ))
   (( segid "   A" and resid 181  and name  HA  ))
      3.475     1.737     1.737 peak  2982 weight  1.00000E+00 volume  4.37875E+04 ppm1      4.622 ppm2      8.622

 ASSI { 2983}
   (  segid "   A" and resid 174  and name  HG2#)
   (( segid "   A" and resid 181  and name  HA  ))
      3.240     1.520     1.620 peak  2983 weight  1.00000E+00 volume  5.57624E+04 ppm1      4.625 ppm2      0.716

 ASSI { 2984}
   (  segid "   A" and resid 182  and name  HD1#)
   (( segid "   A" and resid 181  and name  HA  ))
      3.654     1.827     1.827 peak  2984 weight  1.00000E+00 volume  3.84607E+05 ppm1      4.622 ppm2      1.003

 ASSI { 2985}
   (( segid "   A" and resid 181  and name  HB1 ))
   (  segid "   A" and resid 162  and name  HG1#)
      8.000     4.000     0.000 peak  2985 weight  1.00000E+00 volume  1.65700E+03 ppm1      2.988 ppm2      0.547

 ASSI { 2986}
   (  segid "   A" and resid 174  and name  HG2#)
   (( segid "   A" and resid 181  and name  HB1 ))
      3.749     1.875     1.875 peak  2986 weight  1.00000E+00 volume  3.29572E+05 ppm1      2.985 ppm2      0.713

 ASSI { 2988}
   (( segid "   A" and resid 181  and name  HB1 ))
   (( segid "   A" and resid 174  and name  HA  ))
      4.230     2.115     2.115 peak  2988 weight  1.00000E+00 volume  1.59788E+05 ppm1      2.986 ppm2      4.608

 ASSI { 2989}
   (( segid "   A" and resid 181  and name  HA  ))
   (( segid "   A" and resid 181  and name  HB1 ))
      4.008     2.004     2.004 peak  2989 weight  1.00000E+00 volume  2.20718E+05 ppm1      2.983 ppm2      4.628

 ASSI { 2990}
   (( segid "   A" and resid 181  and name  HB1 ))
   (( segid "   A" and resid 183  and name  HN  ))
      3.958     1.979     1.979 peak  2990 weight  1.00000E+00 volume  2.37997E+05 ppm1      2.980 ppm2      7.824

 ASSI { 2991}
   (( segid "   A" and resid 182  and name  HN  ))
   (( segid "   A" and resid 181  and name  HB1 ))
      4.297     2.149     2.149 peak  2991 weight  1.00000E+00 volume  1.73991E+04 ppm1      2.983 ppm2      8.465

 ASSI { 2992}
   (( segid "   A" and resid 181  and name  HN  ))
   (( segid "   A" and resid 181  and name  HB1 ))
      3.981     1.991     1.991 peak  2992 weight  1.00000E+00 volume  1.61881E+04 ppm1      2.984 ppm2      8.630

 ASSI { 2993}
   (( segid "   A" and resid 181  and name  HN  ))
   (( segid "   A" and resid 181  and name  HB2 ))
      3.647     1.824     1.824 peak  2993 weight  1.00000E+00 volume  2.24131E+04 ppm1      3.104 ppm2      8.625

 ASSI { 2994}
   (( segid "   A" and resid 182  and name  HN  ))
   (( segid "   A" and resid 181  and name  HB2 ))
      4.301     2.151     2.151 peak  2994 weight  1.00000E+00 volume  6.61825E+03 ppm1      3.095 ppm2      8.470

 ASSI { 2995}
   (( segid "   A" and resid 181  and name  HB2 ))
   (( segid "   A" and resid 183  and name  HN  ))
      4.046     2.023     2.023 peak  2995 weight  1.00000E+00 volume  7.44738E+03 ppm1      3.098 ppm2      7.833

 ASSI { 2996}
   (( segid "   A" and resid 181  and name  HA  ))
   (( segid "   A" and resid 181  and name  HB2 ))
      3.405     1.685     1.702 peak  2996 weight  1.00000E+00 volume  5.87497E+05 ppm1      3.095 ppm2      4.627

 ASSI { 2998}
   (( segid "   A" and resid 181  and name  HB2 ))
   (( segid "   A" and resid 162  and name  HA  ))
      3.530     1.765     1.765 peak  2998 weight  1.00000E+00 volume  1.25415E+04 ppm1      3.094 ppm2      4.440

 ASSI { 3000}
   (( segid "   A" and resid 181  and name  HB2 ))
   (  segid "   A" and resid 162  and name  HG1#)
      5.706     2.853     2.294 peak  3000 weight  1.00000E+00 volume  9.22000E+03 ppm1      3.093 ppm2      0.548

 ASSI { 3001}
   (( segid "   A" and resid 182  and name  HN  ))
   (( segid "   A" and resid 182  and name  HA  ))
      3.833     1.917     1.917 peak  3001 weight  1.00000E+00 volume  2.08362E+04 ppm1      4.002 ppm2      8.466

 ASSI { 3002}
   (( segid "   A" and resid 182  and name  HN  ))
   (( segid "   A" and resid 182  and name  HB  ))
      3.293     1.573     1.646 peak  3002 weight  1.00000E+00 volume  5.51830E+04 ppm1      1.798 ppm2      8.469

 ASSI { 3003}
   (( segid "   A" and resid 182  and name  HA  ))
   (( segid "   A" and resid 182  and name  HB  ))
      4.582     2.291     2.291 peak  3003 weight  1.00000E+00 volume  1.21722E+04 ppm1      1.793 ppm2      3.996

 ASSI { 3004}
   (  segid "   A" and resid 182  and name  HD1#)
   (( segid "   A" and resid 182  and name  HB  ))
      3.729     1.865     1.865 peak  3004 weight  1.00000E+00 volume  9.31512E+03 ppm1      1.788 ppm2      1.010

 ASSI { 3005}
   (( segid "   A" and resid 175  and name  HN  ))
   (  segid "   A" and resid 182  and name  HD1#)
      3.272     1.552     1.636 peak  3005 weight  1.00000E+00 volume  5.91569E+04 ppm1      1.000 ppm2      8.882

# Restraints file 3: 15Nnoesy.tbl
 ASSI {    3}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 10   and name  HA2 ))
      3.266     1.546     1.633 peak     3 weight  1.00000E+00 volume  -3.98535E+04 ppm1      9.195 ppm2      4.438

 ASSI {    4}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 10   and name  HA1 ))
      3.057     1.337     1.529 peak     4 weight  1.00000E+00 volume  -6.34218E+04 ppm1      9.195 ppm2      3.810

 ASSI {    5}
   (( segid "   A" and resid 118  and name  HN  ))
   (( segid "   A" and resid 118  and name  HA2 ))
      3.575     1.787     1.787 peak     5 weight  1.00000E+00 volume  -3.38412E+05 ppm1      8.467 ppm2      4.133

 ASSI {    6}
   (( segid "   A" and resid 118  and name  HN  ))
   (( segid "   A" and resid 118  and name  HA1 ))
      3.469     1.734     1.734 peak     6 weight  1.00000E+00 volume  -4.05569E+05 ppm1      8.469 ppm2      3.517

 ASSI {    7}
   (( segid "   A" and resid 157  and name  HN  ))
   (( segid "   A" and resid 157  and name  HA2 ))
      2.639     0.919     1.319 peak     7 weight  1.00000E+00 volume  -2.09117E+06 ppm1      8.895 ppm2      4.483

 ASSI {    8}
   (( segid "   A" and resid 157  and name  HN  ))
   (( segid "   A" and resid 157  and name  HA1 ))
      2.889     1.169     1.444 peak     8 weight  1.00000E+00 volume  -1.21487E+06 ppm1      8.901 ppm2      3.490

 ASSI {   12}
   (( segid "   A" and resid 180  and name  HN  ))
   (( segid "   A" and resid 179  and name  HA2 ))
      3.568     1.784     1.784 peak    12 weight  1.00000E+00 volume  -3.42449E+05 ppm1      8.106 ppm2      4.355

 ASSI {   13}
   (( segid "   A" and resid 180  and name  HN  ))
   (( segid "   A" and resid 179  and name  HA1 ))
      3.077     1.357     1.538 peak    13 weight  1.00000E+00 volume  -8.32665E+05 ppm1      8.107 ppm2      3.927

 ASSI {   14}
   (( segid "   A" and resid 179  and name  HN  ))
   (( segid "   A" and resid 179  and name  HA1 ))
      3.119     1.399     1.559 peak    14 weight  1.00000E+00 volume  -7.67489E+05 ppm1      8.150 ppm2      3.917

 ASSI {   15}
   (( segid "   A" and resid 179  and name  HN  ))
   (( segid "   A" and resid 179  and name  HA2 ))
      3.211     1.491     1.605 peak    15 weight  1.00000E+00 volume  -4.22663E+04 ppm1      8.157 ppm2      4.357

 ASSI {   17}
   (( segid "   A" and resid 175  and name  HN  ))
   (( segid "   A" and resid 180  and name  HN  ))
      3.720     1.860     1.860 peak    17 weight  1.00000E+00 volume  -1.66264E+04 ppm1      8.102 ppm2      8.890

 ASSI {   18}
   (( segid "   A" and resid 180  and name  HN  ))
   (( segid "   A" and resid 180  and name  HB2 ))
      3.232     1.512     1.616 peak    18 weight  1.00000E+00 volume  -3.50027E+04 ppm1      8.103 ppm2      3.842

 ASSI {   20}
   (( segid "   A" and resid 180  and name  HN  ))
   (( segid "   A" and resid 178  and name  HB2 ))
      3.679     1.840     1.840 peak    20 weight  1.00000E+00 volume  -2.00555E+04 ppm1      8.104 ppm2      2.486

 ASSI {   21}
   (( segid "   A" and resid 180  and name  HN  ))
   (  segid "   A" and resid 174  and name  HG2#)
      3.393     1.673     1.696 peak    21 weight  1.00000E+00 volume  -3.26873E+04 ppm1      8.106 ppm2      0.687

 ASSI {   22}
   (( segid "   A" and resid 179  and name  HN  ))
   (  segid "   A" and resid 174  and name  HG2#)
      3.717     1.859     1.859 peak    22 weight  1.00000E+00 volume  -2.05108E+04 ppm1      8.157 ppm2      0.687

 ASSI {   23}
   (( segid "   A" and resid 179  and name  HN  ))
   (( segid "   A" and resid 178  and name  HN  ))
      3.767     1.883     1.883 peak    23 weight  1.00000E+00 volume  -2.71461E+04 ppm1      8.158 ppm2      7.091

 ASSI {   24}
   (( segid "   A" and resid 182  and name  HN  ))
   (( segid "   A" and resid 175  and name  HN  ))
      4.162     2.081     2.081 peak    24 weight  1.00000E+00 volume  -1.35825E+05 ppm1      8.462 ppm2      8.875

 ASSI {   25}
   (( segid "   A" and resid 182  and name  HN  ))
   (( segid "   A" and resid 182  and name  HA  ))
      3.645     1.823     1.823 peak    25 weight  1.00000E+00 volume  -3.01022E+05 ppm1      8.463 ppm2      4.007

 ASSI {   28}
   (( segid "   A" and resid 182  and name  HN  ))
   (  segid "   A" and resid 182  and name  HD1#)
      3.161     1.441     1.581 peak    28 weight  1.00000E+00 volume  -4.43036E+04 ppm1      8.466 ppm2      1.005

 ASSI {   30}
   (( segid "   A" and resid 181  and name  HN  ))
   (( segid "   A" and resid 181  and name  HA  ))
      3.056     1.336     1.528 peak    30 weight  1.00000E+00 volume  -8.66366E+05 ppm1      8.618 ppm2      4.624

 ASSI {   31}
   (( segid "   A" and resid 181  and name  HN  ))
   (( segid "   A" and resid 181  and name  HB2 ))
      3.390     1.670     1.695 peak    31 weight  1.00000E+00 volume  -4.65408E+05 ppm1      8.618 ppm2      3.100

 ASSI {   32}
   (( segid "   A" and resid 181  and name  HN  ))
   (( segid "   A" and resid 181  and name  HB1 ))
      3.282     1.562     1.641 peak    32 weight  1.00000E+00 volume  -5.64682E+05 ppm1      8.619 ppm2      2.987

 ASSI {   33}
   (( segid "   A" and resid 179  and name  HN  ))
   (( segid "   A" and resid 178  and name  HN  ))
      3.801     1.900     1.900 peak    33 weight  1.00000E+00 volume  -2.34290E+05 ppm1      7.082 ppm2      8.166

 ASSI {   34}
   (( segid "   A" and resid 176  and name  HN  ))
   (( segid "   A" and resid 177  and name  HN  ))
      3.512     1.756     1.756 peak    34 weight  1.00000E+00 volume  -3.76084E+05 ppm1      8.835 ppm2      8.280

 ASSI {   35}
   (( segid "   A" and resid 177  and name  HN  ))
   (( segid "   A" and resid 177  and name  HA2 ))
      2.967     1.247     1.483 peak    35 weight  1.00000E+00 volume  -1.03569E+06 ppm1      8.840 ppm2      3.734

 ASSI {   36}
   (( segid "   A" and resid 177  and name  HN  ))
   (( segid "   A" and resid 177  and name  HA1 ))
      3.087     1.367     1.544 peak    36 weight  1.00000E+00 volume  -8.15812E+05 ppm1      8.835 ppm2      3.922

 ASSI {   37}
   (( segid "   A" and resid 176  and name  HN  ))
   (( segid "   A" and resid 175  and name  HN  ))
      3.495     1.747     1.747 peak    37 weight  1.00000E+00 volume  -2.59904E+04 ppm1      8.279 ppm2      8.876

 ASSI {   39}
   (( segid "   A" and resid 176  and name  HN  ))
   (( segid "   A" and resid 128  and name  HA  ))
      3.546     1.773     1.773 peak    39 weight  1.00000E+00 volume  -2.46786E+04 ppm1      8.276 ppm2      5.432

 ASSI {   41}
   (( segid "   A" and resid 176  and name  HN  ))
   (( segid "   A" and resid 176  and name  HA  ))
      3.535     1.768     1.768 peak    41 weight  1.00000E+00 volume  -2.11441E+04 ppm1      8.278 ppm2      2.895

 ASSI {   42}
   (( segid "   A" and resid 176  and name  HN  ))
   (( segid "   A" and resid 176  and name  HB  ))
      3.271     1.551     1.635 peak    42 weight  1.00000E+00 volume  -4.23986E+04 ppm1      8.281 ppm2      3.759

 ASSI {   47}
   (( segid "   A" and resid 175  and name  HN  ))
   (  segid "   A" and resid 182  and name  HD1#)
      2.859     1.139     1.430 peak    47 weight  1.00000E+00 volume  -7.13750E+04 ppm1      8.883 ppm2      1.001

 ASSI {   48}
   (( segid "   A" and resid 175  and name  HN  ))
   (  segid "   A" and resid 174  and name  HG2#)
      2.678     0.958     1.339 peak    48 weight  1.00000E+00 volume  -1.91329E+06 ppm1      8.879 ppm2      0.711

 ASSI {   49}
   (( segid "   A" and resid 129  and name  HN  ))
   (( segid "   A" and resid 174  and name  HN  ))
      3.715     1.858     1.858 peak    49 weight  1.00000E+00 volume  -2.68651E+05 ppm1      8.978 ppm2      8.542

 ASSI {   51}
   (( segid "   A" and resid 174  and name  HN  ))
   (( segid "   A" and resid 174  and name  HB  ))
      3.159     1.439     1.580 peak    51 weight  1.00000E+00 volume  -4.63401E+04 ppm1      8.976 ppm2      1.544

 ASSI {   52}
   (( segid "   A" and resid 174  and name  HN  ))
   (  segid "   A" and resid 174  and name  HG2#)
      3.023     1.303     1.511 peak    52 weight  1.00000E+00 volume  -5.78142E+04 ppm1      8.978 ppm2      0.731

 ASSI {   53}
   (( segid "   A" and resid 174  and name  HN  ))
   (  segid "   A" and resid 128  and name  HG2#)
      3.145     1.425     1.573 peak    53 weight  1.00000E+00 volume  -4.42426E+04 ppm1      8.973 ppm2      0.982

 ASSI {   54}
   (( segid "   A" and resid 173  and name  HN  ))
   (( segid "   A" and resid 172  and name  HA  ))
      3.008     1.288     1.504 peak    54 weight  1.00000E+00 volume  -6.58304E+04 ppm1      8.788 ppm2      4.977

 ASSI {   55}
   (( segid "   A" and resid 173  and name  HN  ))
   (( segid "   A" and resid 172  and name  HB2 ))
      3.315     1.595     1.658 peak    55 weight  1.00000E+00 volume  -2.64637E+04 ppm1      8.794 ppm2      1.933

 ASSI {   60}
   (( segid "   A" and resid 172  and name  HN  ))
   (( segid "   A" and resid 171  and name  HA  ))
      2.994     1.274     1.497 peak    60 weight  1.00000E+00 volume  -6.82587E+04 ppm1      9.309 ppm2      4.346

 ASSI {   62}
   (( segid "   A" and resid 172  and name  HB2 ))
   (( segid "   A" and resid 172  and name  HN  ))
      2.886     1.166     1.443 peak    62 weight  1.00000E+00 volume  -8.10685E+04 ppm1      9.305 ppm2      1.908

 ASSI {   63}
   (( segid "   A" and resid 172  and name  HN  ))
   (  segid "   A" and resid 133  and name  HG1#)
      2.846     1.126     1.423 peak    63 weight  1.00000E+00 volume  -8.49076E+04 ppm1      9.308 ppm2      0.994

 ASSI {   65}
   (( segid "   A" and resid 171  and name  HN  ))
   (( segid "   A" and resid 170  and name  HA  ))
      2.764     1.044     1.382 peak    65 weight  1.00000E+00 volume  -6.07593E+04 ppm1      8.658 ppm2      4.612

 ASSI {   68}
   (( segid "   A" and resid 171  and name  HN  ))
   (( segid "   A" and resid 170  and name  HB2 ))
      3.334     1.614     1.667 peak    68 weight  1.00000E+00 volume  -3.59620E+04 ppm1      8.656 ppm2      2.978

 ASSI {   69}
   (( segid "   A" and resid 171  and name  HN  ))
   (( segid "   A" and resid 171  and name  HB  ))
      2.896     1.176     1.448 peak    69 weight  1.00000E+00 volume  -8.84148E+04 ppm1      8.660 ppm2      1.889

 ASSI {   71}
   (( segid "   A" and resid 133  and name  HN  ))
   (( segid "   A" and resid 170  and name  HN  ))
      3.861     1.931     1.931 peak    71 weight  1.00000E+00 volume  -2.93956E+04 ppm1      7.849 ppm2      9.189

 ASSI {   72}
   (( segid "   A" and resid 169  and name  HN  ))
   (( segid "   A" and resid 170  and name  HN  ))
      3.065     1.345     1.533 peak    72 weight  1.00000E+00 volume  -8.51627E+05 ppm1      7.844 ppm2      8.800

 ASSI {   73}
   (( segid "   A" and resid 170  and name  HN  ))
   (( segid "   A" and resid 169  and name  HA2 ))
      3.131     1.411     1.566 peak    73 weight  1.00000E+00 volume  -4.57385E+04 ppm1      7.845 ppm2      4.405

 ASSI {   74}
   (( segid "   A" and resid 170  and name  HN  ))
   (( segid "   A" and resid 169  and name  HA1 ))
      3.084     1.364     1.542 peak    74 weight  1.00000E+00 volume  -4.92981E+04 ppm1      7.844 ppm2      3.485

 ASSI {   75}
   (( segid "   A" and resid 170  and name  HN  ))
   (( segid "   A" and resid 170  and name  HB2 ))
      2.788     1.068     1.394 peak    75 weight  1.00000E+00 volume  -1.50227E+06 ppm1      7.853 ppm2      2.981

 ASSI {   78}
   (( segid "   A" and resid 170  and name  HN  ))
   (  segid "   A" and resid 133  and name  HG1#)
      2.803     1.083     1.402 peak    78 weight  1.00000E+00 volume  -9.53407E+04 ppm1      7.848 ppm2      0.947

 ASSI {   79}
   (( segid "   A" and resid 170  and name  HN  ))
   (  segid "   A" and resid 133  and name  HG2#)
      3.214     1.494     1.607 peak    79 weight  1.00000E+00 volume  -5.06837E+04 ppm1      7.848 ppm2      0.768

 ASSI {   80}
   (( segid "   A" and resid 169  and name  HN  ))
   (( segid "   A" and resid 170  and name  HN  ))
      3.425     1.705     1.712 peak    80 weight  1.00000E+00 volume  -2.79558E+04 ppm1      8.786 ppm2      7.849

 ASSI {   81}
   (( segid "   A" and resid 169  and name  HN  ))
   (( segid "   A" and resid 169  and name  HA2 ))
      3.138     1.418     1.569 peak    81 weight  1.00000E+00 volume  -4.50526E+04 ppm1      8.789 ppm2      4.409

 ASSI {   82}
   (( segid "   A" and resid 169  and name  HN  ))
   (( segid "   A" and resid 169  and name  HA1 ))
      2.774     1.054     1.387 peak    82 weight  1.00000E+00 volume  -9.18539E+04 ppm1      8.792 ppm2      3.481

 ASSI {   83}
   (( segid "   A" and resid 169  and name  HN  ))
   (( segid "   A" and resid 168  and name  HG2 ))
      3.334     1.614     1.667 peak    83 weight  1.00000E+00 volume  -3.08724E+04 ppm1      8.794 ppm2      2.289

 ASSI {   85}
   (( segid "   A" and resid 169  and name  HN  ))
   (  segid "   A" and resid 133  and name  HG2#)
      3.351     1.631     1.675 peak    85 weight  1.00000E+00 volume  -3.32429E+04 ppm1      8.786 ppm2      0.767

 ASSI {   86}
   (( segid "   A" and resid 169  and name  HN  ))
   (  segid "   A" and resid 133  and name  HG1#)
      3.390     1.670     1.695 peak    86 weight  1.00000E+00 volume  -4.65705E+05 ppm1      8.791 ppm2      0.939

 ASSI {   87}
   (( segid "   A" and resid 169  and name  HN  ))
   (  segid "   A" and resid 132  and name  HG2#)
      3.445     1.723     1.723 peak    87 weight  1.00000E+00 volume  -4.22225E+05 ppm1      8.786 ppm2      1.095

 ASSI {   88}
   (( segid "   A" and resid 168  and name  HN  ))
   (( segid "   A" and resid 167  and name  HA  ))
      2.918     1.198     1.459 peak    88 weight  1.00000E+00 volume  -1.14379E+06 ppm1      8.783 ppm2      5.057

 ASSI {   90}
   (( segid "   A" and resid 168  and name  HN  ))
   (( segid "   A" and resid 167  and name  HB2 ))
      3.082     1.362     1.541 peak    90 weight  1.00000E+00 volume  -8.24242E+05 ppm1      8.787 ppm2      2.665

 ASSI {   92}
   (( segid "   A" and resid 168  and name  HG2 ))
   (( segid "   A" and resid 168  and name  HN  ))
      3.263     1.543     1.631 peak    92 weight  1.00000E+00 volume  -5.85302E+05 ppm1      8.783 ppm2      2.283

 ASSI {   93}
   (( segid "   A" and resid 168  and name  HN  ))
   (( segid "   A" and resid 168  and name  HB2 ))
      2.810     1.090     1.405 peak    93 weight  1.00000E+00 volume  -1.43532E+06 ppm1      8.787 ppm2      1.872

 ASSI {   95}
   (( segid "   A" and resid 169  and name  HN  ))
   (( segid "   A" and resid 168  and name  HB2 ))
      3.396     1.676     1.698 peak    95 weight  1.00000E+00 volume  -4.60432E+05 ppm1      8.789 ppm2      1.867

 ASSI {   97}
   (( segid "   A" and resid 72   and name  HN  ))
   (( segid "   A" and resid 71   and name  HA  ))
      2.870     1.150     1.435 peak    97 weight  1.00000E+00 volume  -1.26348E+06 ppm1      9.126 ppm2      5.207

 ASSI {   98}
   (( segid "   A" and resid 167  and name  HN  ))
   (( segid "   A" and resid 166  and name  HA  ))
      2.843     1.123     1.422 peak    98 weight  1.00000E+00 volume  -9.87669E+04 ppm1      9.132 ppm2      3.817

 ASSI {   99}
   (( segid "   A" and resid 167  and name  HA  ))
   (( segid "   A" and resid 167  and name  HN  ))
      3.289     1.569     1.644 peak    99 weight  1.00000E+00 volume  -3.24117E+04 ppm1      9.135 ppm2      5.058

 ASSI {  102}
   (( segid "   A" and resid 167  and name  HB2 ))
   (( segid "   A" and resid 167  and name  HN  ))
      2.951     1.231     1.475 peak   102 weight  1.00000E+00 volume  -5.42949E+04 ppm1      9.122 ppm2      2.683

 ASSI {  103}
   (( segid "   A" and resid 167  and name  HB1 ))
   (( segid "   A" and resid 167  and name  HN  ))
      3.011     1.291     1.506 peak   103 weight  1.00000E+00 volume  -4.82463E+04 ppm1      9.124 ppm2      2.617

 ASSI {  105}
   (( segid "   A" and resid 167  and name  HN  ))
   (  segid "   A" and resid 166  and name  HG1#)
      3.129     1.409     1.565 peak   105 weight  1.00000E+00 volume  -4.68601E+04 ppm1      9.129 ppm2      0.679

 ASSI {  106}
   (( segid "   A" and resid 166  and name  HN  ))
   (( segid "   A" and resid 165  and name  HA  ))
      3.728     1.864     1.864 peak   106 weight  1.00000E+00 volume  -2.62953E+05 ppm1      6.729 ppm2      4.518

 ASSI {  107}
   (( segid "   A" and resid 166  and name  HN  ))
   (( segid "   A" and resid 166  and name  HA  ))
      3.597     1.798     1.798 peak   107 weight  1.00000E+00 volume  -3.26325E+05 ppm1      6.725 ppm2      3.814

 ASSI {  109}
   (( segid "   A" and resid 166  and name  HN  ))
   (( segid "   A" and resid 166  and name  HB  ))
      2.786     1.066     1.393 peak   109 weight  1.00000E+00 volume  -1.51132E+06 ppm1      6.729 ppm2      1.722

 ASSI {  111}
   (( segid "   A" and resid 166  and name  HN  ))
   (  segid "   A" and resid 166  and name  HG1#)
      2.741     1.021     1.370 peak   111 weight  1.00000E+00 volume  -1.66556E+06 ppm1      6.731 ppm2      0.679

 ASSI {  113}
   (( segid "   A" and resid 165  and name  HN  ))
   (( segid "   A" and resid 164  and name  HA  ))
      3.932     1.966     1.966 peak   113 weight  1.00000E+00 volume  -1.91089E+05 ppm1      6.441 ppm2      3.494

 ASSI {  114}
   (( segid "   A" and resid 164  and name  HN  ))
   (( segid "   A" and resid 163  and name  HA  ))
      2.901     1.181     1.450 peak   114 weight  1.00000E+00 volume  -1.18546E+06 ppm1      7.788 ppm2      4.286

 ASSI {  115}
   (( segid "   A" and resid 164  and name  HA  ))
   (( segid "   A" and resid 164  and name  HN  ))
      3.463     1.732     1.732 peak   115 weight  1.00000E+00 volume  -4.09129E+05 ppm1      7.788 ppm2      3.527

 ASSI {  116}
   (( segid "   A" and resid 164  and name  HN  ))
   (( segid "   A" and resid 164  and name  HB2 ))
      2.723     1.003     1.362 peak   116 weight  1.00000E+00 volume  -1.73123E+06 ppm1      7.793 ppm2      1.653

 ASSI {  119}
   (( segid "   A" and resid 164  and name  HN  ))
   (  segid "   A" and resid 164  and name  HD1#)
      3.452     1.726     1.726 peak   119 weight  1.00000E+00 volume  -4.17633E+05 ppm1      7.788 ppm2      0.637

 ASSI {  120}
   (( segid "   A" and resid 164  and name  HN  ))
   (  segid "   A" and resid 164  and name  HD2#)
      3.107     1.387     1.553 peak   120 weight  1.00000E+00 volume  -7.85810E+05 ppm1      7.785 ppm2      0.838

 ASSI {  121}
   (( segid "   A" and resid 164  and name  HN  ))
   (( segid "   A" and resid 163  and name  HB2 ))
      3.880     1.940     1.940 peak   121 weight  1.00000E+00 volume  -1.11407E+04 ppm1      7.787 ppm2      2.013

 ASSI {  123}
   (( segid "   A" and resid 162  and name  HN  ))
   (( segid "   A" and resid 150  and name  HN  ))
      3.585     1.792     1.792 peak   123 weight  1.00000E+00 volume  -3.32749E+05 ppm1      9.284 ppm2      9.100

 ASSI {  124}
   (( segid "   A" and resid 162  and name  HN  ))
   (( segid "   A" and resid 161  and name  HA  ))
      2.900     1.180     1.450 peak   124 weight  1.00000E+00 volume  -8.71059E+04 ppm1      9.285 ppm2      5.312

 ASSI {  125}
   (( segid "   A" and resid 162  and name  HN  ))
   (( segid "   A" and resid 149  and name  HA  ))
      3.243     1.523     1.622 peak   125 weight  1.00000E+00 volume  -3.96780E+04 ppm1      9.288 ppm2      4.725

 ASSI {  127}
   (( segid "   A" and resid 162  and name  HN  ))
   (( segid "   A" and resid 162  and name  HB  ))
      3.664     1.832     1.832 peak   127 weight  1.00000E+00 volume  -2.91935E+05 ppm1      9.282 ppm2      2.257

 ASSI {  128}
   (( segid "   A" and resid 162  and name  HN  ))
   (  segid "   A" and resid 162  and name  HG1#)
      3.279     1.559     1.639 peak   128 weight  1.00000E+00 volume  -5.68369E+05 ppm1      9.281 ppm2      0.541

 ASSI {  129}
   (( segid "   A" and resid 161  and name  HA  ))
   (( segid "   A" and resid 161  and name  HN  ))
      3.552     1.776     1.776 peak   129 weight  1.00000E+00 volume  -3.51937E+05 ppm1      8.111 ppm2      5.309

 ASSI {  130}
   (( segid "   A" and resid 161  and name  HN  ))
   (( segid "   A" and resid 160  and name  HA  ))
      2.759     1.039     1.379 peak   130 weight  1.00000E+00 volume  -1.60227E+06 ppm1      8.103 ppm2      4.574

 ASSI {  131}
   (( segid "   A" and resid 161  and name  HN  ))
   (( segid "   A" and resid 161  and name  HB2 ))
      3.146     1.426     1.573 peak   131 weight  1.00000E+00 volume  -5.65295E+04 ppm1      8.106 ppm2      2.622

 ASSI {  136}
   (( segid "   A" and resid 161  and name  HN  ))
   (  segid "   A" and resid 160  and name  HD1#)
      3.239     1.519     1.620 peak   136 weight  1.00000E+00 volume  -3.70188E+04 ppm1      8.102 ppm2      0.722

 ASSI {  137}
   (( segid "   A" and resid 152  and name  HN  ))
   (( segid "   A" and resid 160  and name  HN  ))
      3.694     1.847     1.847 peak   137 weight  1.00000E+00 volume  -1.79844E+04 ppm1      8.884 ppm2      9.178

 ASSI {  138}
   (( segid "   A" and resid 160  and name  HN  ))
   (( segid "   A" and resid 159  and name  HA  ))
      2.794     1.074     1.397 peak   138 weight  1.00000E+00 volume  -1.48492E+06 ppm1      8.881 ppm2      5.223

 ASSI {  141}
   (( segid "   A" and resid 160  and name  HN  ))
   (  segid "   A" and resid 160  and name  HD1#)
      2.603     0.883     1.301 peak   141 weight  1.00000E+00 volume  -2.27064E+06 ppm1      8.882 ppm2      0.719

 ASSI {  142}
   (( segid "   A" and resid 159  and name  HN  ))
   (  segid "   A" and resid 158  and name  HD# )
      2.656     0.936     1.328 peak   142 weight  1.00000E+00 volume  -2.01175E+06 ppm1      7.257 ppm2      6.839

 ASSI {  143}
   (( segid "   A" and resid 160  and name  HN  ))
   (( segid "   A" and resid 159  and name  HN  ))
      3.942     1.971     1.971 peak   143 weight  1.00000E+00 volume  -1.88076E+05 ppm1      7.252 ppm2      8.883

 ASSI {  144}
   (( segid "   A" and resid 159  and name  HA  ))
   (( segid "   A" and resid 159  and name  HN  ))
      3.276     1.556     1.638 peak   144 weight  1.00000E+00 volume  -5.71609E+05 ppm1      7.264 ppm2      5.219

 ASSI {  145}
   (( segid "   A" and resid 159  and name  HN  ))
   (( segid "   A" and resid 158  and name  HA  ))
      2.524     0.804     1.262 peak   145 weight  1.00000E+00 volume  -2.73216E+06 ppm1      7.260 ppm2      4.512

 ASSI {  147}
   (( segid "   A" and resid 159  and name  HN  ))
   (( segid "   A" and resid 159  and name  HB  ))
      2.859     1.139     1.430 peak   147 weight  1.00000E+00 volume  -9.11667E+04 ppm1      7.260 ppm2      3.646

 ASSI {  150}
   (( segid "   A" and resid 159  and name  HN  ))
   (( segid "   A" and resid 158  and name  HB2 ))
      3.659     1.829     1.829 peak   150 weight  1.00000E+00 volume  -2.94519E+05 ppm1      7.257 ppm2      3.061

 ASSI {  151}
   (( segid "   A" and resid 157  and name  HN  ))
   (( segid "   A" and resid 158  and name  HN  ))
      3.095     1.375     1.548 peak   151 weight  1.00000E+00 volume  -8.02810E+05 ppm1      7.050 ppm2      8.894

 ASSI {  152}
   (  segid "   A" and resid 158  and name  HD# )
   (( segid "   A" and resid 158  and name  HN  ))
      3.203     1.483     1.601 peak   152 weight  1.00000E+00 volume  -6.54196E+05 ppm1      7.050 ppm2      6.848

 ASSI {  154}
   (( segid "   A" and resid 158  and name  HA  ))
   (( segid "   A" and resid 158  and name  HN  ))
      2.886     1.166     1.443 peak   154 weight  1.00000E+00 volume  -7.43743E+04 ppm1      7.050 ppm2      4.484

 ASSI {  155}
   (( segid "   A" and resid 157  and name  HA1 ))
   (( segid "   A" and resid 158  and name  HN  ))
      3.466     1.733     1.733 peak   155 weight  1.00000E+00 volume  -2.86793E+04 ppm1      7.054 ppm2      3.494

 ASSI {  156}
   (( segid "   A" and resid 158  and name  HB2 ))
   (( segid "   A" and resid 158  and name  HN  ))
      3.156     1.436     1.578 peak   156 weight  1.00000E+00 volume  -5.05372E+04 ppm1      7.051 ppm2      3.064

 ASSI {  158}
   (( segid "   A" and resid 158  and name  HN  ))
   (  segid "   A" and resid 156  and name  HG2#)
      2.978     1.258     1.489 peak   158 weight  1.00000E+00 volume  -6.48450E+04 ppm1      7.047 ppm2      1.206

 ASSI {  159}
   (( segid "   A" and resid 157  and name  HN  ))
   (( segid "   A" and resid 158  and name  HN  ))
      3.117     1.397     1.558 peak   159 weight  1.00000E+00 volume  -5.57838E+04 ppm1      8.890 ppm2      7.052

 ASSI {  160}
   (( segid "   A" and resid 157  and name  HN  ))
   (( segid "   A" and resid 156  and name  HN  ))
      3.005     1.285     1.503 peak   160 weight  1.00000E+00 volume  -6.68150E+04 ppm1      8.895 ppm2      6.724

 ASSI {  162}
   (( segid "   A" and resid 157  and name  HN  ))
   (  segid "   A" and resid 156  and name  HG2#)
      2.897     1.177     1.449 peak   162 weight  1.00000E+00 volume  -6.99538E+04 ppm1      8.889 ppm2      1.166

 ASSI {  163}
   (  segid "   A" and resid 156  and name  HG2#)
   (( segid "   A" and resid 156  and name  HN  ))
      2.658     0.938     1.329 peak   163 weight  1.00000E+00 volume  -9.78271E+04 ppm1      6.724 ppm2      1.162

 ASSI {  164}
   (( segid "   A" and resid 156  and name  HN  ))
   (( segid "   A" and resid 156  and name  HA  ))
      2.862     1.142     1.431 peak   164 weight  1.00000E+00 volume  -8.64977E+04 ppm1      6.727 ppm2      4.484

 ASSI {  166}
   (( segid "   A" and resid 157  and name  HN  ))
   (( segid "   A" and resid 156  and name  HN  ))
      3.007     1.287     1.504 peak   166 weight  1.00000E+00 volume  -6.46469E+04 ppm1      6.727 ppm2      8.886

 ASSI {  168}
   (( segid "   A" and resid 156  and name  HN  ))
   (( segid "   A" and resid 155  and name  HG2 ))
      3.105     1.385     1.552 peak   168 weight  1.00000E+00 volume  -5.18659E+04 ppm1      6.724 ppm2      2.433

 ASSI {  169}
   (( segid "   A" and resid 156  and name  HN  ))
   (( segid "   A" and resid 155  and name  HG1 ))
      3.089     1.369     1.544 peak   169 weight  1.00000E+00 volume  -8.13224E+05 ppm1      6.729 ppm2      2.310

 ASSI {  170}
   (( segid "   A" and resid 155  and name  HG1 ))
   (( segid "   A" and resid 155  and name  HN  ))
      3.125     1.405     1.562 peak   170 weight  1.00000E+00 volume  -7.58750E+05 ppm1      8.379 ppm2      2.313

 ASSI {  171}
   (( segid "   A" and resid 155  and name  HG2 ))
   (( segid "   A" and resid 155  and name  HN  ))
      3.089     1.369     1.544 peak   171 weight  1.00000E+00 volume  -4.77596E+04 ppm1      8.379 ppm2      2.452

 ASSI {  172}
   (( segid "   A" and resid 155  and name  HN  ))
   (  segid "   A" and resid 132  and name  HG2#)
      3.155     1.435     1.577 peak   172 weight  1.00000E+00 volume  -7.16499E+05 ppm1      8.383 ppm2      1.075

 ASSI {  173}
   (( segid "   A" and resid 154  and name  HN  ))
   (  segid "   A" and resid 154  and name  HG1#)
      2.747     1.027     1.374 peak   173 weight  1.00000E+00 volume  -1.64211E+06 ppm1      8.756 ppm2      1.188

 ASSI {  174}
   (( segid "   A" and resid 154  and name  HN  ))
   (( segid "   A" and resid 154  and name  HA  ))
      2.950     1.230     1.475 peak   174 weight  1.00000E+00 volume  -5.61355E+04 ppm1      8.729 ppm2      4.253

 ASSI {  175}
   (( segid "   A" and resid 155  and name  HN  ))
   (( segid "   A" and resid 154  and name  HA  ))
      3.663     1.832     1.832 peak   175 weight  1.00000E+00 volume  -2.11982E+04 ppm1      8.376 ppm2      4.270

 ASSI {  178}
   (( segid "   A" and resid 153  and name  HN  ))
   (( segid "   A" and resid 152  and name  HA  ))
      2.965     1.245     1.482 peak   178 weight  1.00000E+00 volume  -1.03993E+06 ppm1      9.099 ppm2      4.927

 ASSI {  181}
   (( segid "   A" and resid 153  and name  HN  ))
   (( segid "   A" and resid 153  and name  HB  ))
      3.219     1.499     1.609 peak   181 weight  1.00000E+00 volume  -6.34954E+05 ppm1      9.106 ppm2      3.776

 ASSI {  182}
   (( segid "   A" and resid 153  and name  HN  ))
   (  segid "   A" and resid 152  and name  HB# )
      3.046     1.326     1.523 peak   182 weight  1.00000E+00 volume  -8.83645E+05 ppm1      9.101 ppm2      1.203

 ASSI {  184}
   (( segid "   A" and resid 152  and name  HN  ))
   (( segid "   A" and resid 151  and name  HB2 ))
      3.531     1.766     1.766 peak   184 weight  1.00000E+00 volume  -3.92393E+04 ppm1      9.186 ppm2      3.610

 ASSI {  185}
   (( segid "   A" and resid 152  and name  HN  ))
   (( segid "   A" and resid 152  and name  HA  ))
      4.279     2.140     2.140 peak   185 weight  1.00000E+00 volume  -2.37631E+04 ppm1      9.186 ppm2      4.934

 ASSI {  186}
   (( segid "   A" and resid 152  and name  HN  ))
   (( segid "   A" and resid 161  and name  HA  ))
      4.045     2.023     2.023 peak   186 weight  1.00000E+00 volume  -2.10545E+04 ppm1      9.191 ppm2      5.304

 ASSI {  189}
   (( segid "   A" and resid 152  and name  HN  ))
   (  segid "   A" and resid 160  and name  HD1#)
      3.041     1.321     1.520 peak   189 weight  1.00000E+00 volume  -4.95883E+04 ppm1      9.189 ppm2      0.721

 ASSI {  190}
   (( segid "   A" and resid 151  and name  HN  ))
   (( segid "   A" and resid 150  and name  HA  ))
      2.446     0.726     1.223 peak   190 weight  1.00000E+00 volume  -1.89329E+05 ppm1      8.531 ppm2      4.722

 ASSI {  191}
   (( segid "   A" and resid 151  and name  HB2 ))
   (( segid "   A" and resid 151  and name  HN  ))
      2.889     1.169     1.444 peak   191 weight  1.00000E+00 volume  -1.21480E+06 ppm1      8.531 ppm2      3.601

 ASSI {  194}
   (( segid "   A" and resid 150  and name  HN  ))
   (( segid "   A" and resid 150  and name  HA  ))
      2.742     1.022     1.371 peak   194 weight  1.00000E+00 volume  -1.66269E+06 ppm1      9.087 ppm2      4.759

 ASSI {  195}
   (( segid "   A" and resid 150  and name  HN  ))
   (( segid "   A" and resid 149  and name  HB  ))
      3.134     1.414     1.567 peak   195 weight  1.00000E+00 volume  -4.71340E+04 ppm1      9.087 ppm2      3.931

 ASSI {  197}
   (( segid "   A" and resid 150  and name  HN  ))
   (  segid "   A" and resid 149  and name  HG2#)
      2.851     1.131     1.425 peak   197 weight  1.00000E+00 volume  -1.31619E+06 ppm1      9.082 ppm2      0.825

 ASSI {  200}
   (( segid "   A" and resid 149  and name  HN  ))
   (( segid "   A" and resid 148  and name  HA  ))
      2.802     1.082     1.401 peak   200 weight  1.00000E+00 volume  -1.07400E+05 ppm1      7.887 ppm2      4.414

 ASSI {  201}
   (( segid "   A" and resid 149  and name  HN  ))
   (  segid "   A" and resid 148  and name  HB# )
      3.173     1.453     1.586 peak   201 weight  1.00000E+00 volume  -5.07528E+04 ppm1      7.876 ppm2      1.411

 ASSI {  202}
   (  segid "   A" and resid 149  and name  HG2#)
   (( segid "   A" and resid 149  and name  HN  ))
      3.403     1.683     1.701 peak   202 weight  1.00000E+00 volume  -4.55013E+05 ppm1      7.887 ppm2      0.833

 ASSI {  203}
   (( segid "   A" and resid 137  and name  HN  ))
   (( segid "   A" and resid 136  and name  HA  ))
      3.896     1.948     1.948 peak   203 weight  1.00000E+00 volume  -2.01878E+05 ppm1      8.172 ppm2      4.329

 ASSI {  204}
   (( segid "   A" and resid 137  and name  HN  ))
   (( segid "   A" and resid 137  and name  HG2 ))
      3.096     1.376     1.548 peak   204 weight  1.00000E+00 volume  -8.01373E+05 ppm1      8.172 ppm2      2.314

 ASSI {  205}
   (( segid "   A" and resid 137  and name  HN  ))
   (( segid "   A" and resid 137  and name  HB2 ))
      3.168     1.448     1.584 peak   205 weight  1.00000E+00 volume  -5.12640E+04 ppm1      8.179 ppm2      2.080

 ASSI {  206}
   (( segid "   A" and resid 137  and name  HN  ))
   (( segid "   A" and resid 137  and name  HB1 ))
      3.028     1.308     1.514 peak   206 weight  1.00000E+00 volume  -6.38418E+04 ppm1      8.179 ppm2      1.912

 ASSI {  221}
   (( segid "   A" and resid 134  and name  HN  ))
   (( segid "   A" and resid 134  and name  HA  ))
      3.766     1.883     1.883 peak   221 weight  1.00000E+00 volume  -2.47620E+05 ppm1      9.420 ppm2      4.433

 ASSI {  223}
   (( segid "   A" and resid 134  and name  HN  ))
   (( segid "   A" and resid 133  and name  HA  ))
      3.354     1.634     1.677 peak   223 weight  1.00000E+00 volume  -4.96348E+05 ppm1      9.420 ppm2      4.063

 ASSI {  225}
   (( segid "   A" and resid 134  and name  HN  ))
   (  segid "   A" and resid 134  and name  HG2#)
      3.396     1.676     1.698 peak   225 weight  1.00000E+00 volume  -4.60282E+05 ppm1      9.416 ppm2      0.796

 ASSI {  226}
   (( segid "   A" and resid 133  and name  HN  ))
   (( segid "   A" and resid 169  and name  HN  ))
      3.873     1.936     1.936 peak   226 weight  1.00000E+00 volume  -2.09397E+05 ppm1      9.200 ppm2      8.805

 ASSI {  229}
   (( segid "   A" and resid 133  and name  HN  ))
   (( segid "   A" and resid 133  and name  HB  ))
      2.833     1.113     1.416 peak   229 weight  1.00000E+00 volume  -9.24025E+04 ppm1      9.193 ppm2      1.898

 ASSI {  230}
   (( segid "   A" and resid 133  and name  HN  ))
   (  segid "   A" and resid 133  and name  HG1#)
      2.647     0.927     1.324 peak   230 weight  1.00000E+00 volume  -1.06561E+05 ppm1      9.195 ppm2      0.973

 ASSI {  231}
   (( segid "   A" and resid 133  and name  HN  ))
   (  segid "   A" and resid 133  and name  HG2#)
      2.918     1.198     1.459 peak   231 weight  1.00000E+00 volume  -5.92684E+04 ppm1      9.197 ppm2      0.798

 ASSI {  232}
   (( segid "   A" and resid 132  and name  HN  ))
   (( segid "   A" and resid 131  and name  HA  ))
      3.132     1.412     1.566 peak   232 weight  1.00000E+00 volume  -7.48834E+05 ppm1      9.733 ppm2      5.159

 ASSI {  236}
   (( segid "   A" and resid 132  and name  HN  ))
   (  segid "   A" and resid 132  and name  HG2#)
      2.914     1.194     1.457 peak   236 weight  1.00000E+00 volume  -1.15379E+06 ppm1      9.747 ppm2      1.096

 ASSI {  237}
   (( segid "   A" and resid 131  and name  HN  ))
   (( segid "   A" and resid 130  and name  HA  ))
      2.766     1.046     1.383 peak   237 weight  1.00000E+00 volume  -1.57577E+06 ppm1      8.940 ppm2      5.493

 ASSI {  238}
   (( segid "   A" and resid 131  and name  HN  ))
   (( segid "   A" and resid 131  and name  HA  ))
      3.034     1.314     1.517 peak   238 weight  1.00000E+00 volume  -3.65030E+04 ppm1      8.948 ppm2      5.144

 ASSI {  241}
   (( segid "   A" and resid 131  and name  HN  ))
   (( segid "   A" and resid 131  and name  HB2 ))
      3.167     1.447     1.583 peak   241 weight  1.00000E+00 volume  -7.00021E+05 ppm1      8.934 ppm2      1.760

 ASSI {  242}
   (( segid "   A" and resid 130  and name  HA  ))
   (( segid "   A" and resid 130  and name  HN  ))
      3.509     1.754     1.754 peak   242 weight  1.00000E+00 volume  -2.64844E+04 ppm1      8.035 ppm2      5.488

 ASSI {  244}
   (( segid "   A" and resid 130  and name  HN  ))
   (( segid "   A" and resid 130  and name  HB2 ))
      2.715     0.995     1.357 peak   244 weight  1.00000E+00 volume  -1.26081E+05 ppm1      8.032 ppm2      2.027

 ASSI {  245}
   (( segid "   A" and resid 130  and name  HN  ))
   (( segid "   A" and resid 130  and name  HB1 ))
      2.944     1.224     1.472 peak   245 weight  1.00000E+00 volume  -6.97560E+04 ppm1      8.032 ppm2      1.885

 ASSI {  247}
   (( segid "   A" and resid 130  and name  HN  ))
   (( segid "   A" and resid 130  and name  HG2 ))
      3.186     1.466     1.593 peak   247 weight  1.00000E+00 volume  -4.14173E+04 ppm1      8.040 ppm2      2.231

 ASSI {  248}
   (( segid "   A" and resid 130  and name  HN  ))
   (  segid "   A" and resid 129  and name  HG1#)
      2.808     1.088     1.404 peak   248 weight  1.00000E+00 volume  -1.05029E+05 ppm1      8.033 ppm2      0.885

 ASSI {  249}
   (( segid "   A" and resid 129  and name  HN  ))
   (  segid "   A" and resid 129  and name  HG1#)
      2.698     0.978     1.349 peak   249 weight  1.00000E+00 volume  -1.83192E+06 ppm1      8.529 ppm2      0.912

 ASSI {  250}
   (( segid "   A" and resid 129  and name  HN  ))
   (  segid "   A" and resid 129  and name  HG2#)
      3.010     1.290     1.505 peak   250 weight  1.00000E+00 volume  -9.50131E+05 ppm1      8.529 ppm2      0.705

 ASSI {  251}
   (( segid "   A" and resid 129  and name  HN  ))
   (( segid "   A" and resid 128  and name  HB  ))
      3.188     1.468     1.594 peak   251 weight  1.00000E+00 volume  -6.73184E+05 ppm1      8.522 ppm2      3.963

 ASSI {  253}
   (( segid "   A" and resid 129  and name  HN  ))
   (( segid "   A" and resid 128  and name  HA  ))
      2.865     1.145     1.432 peak   253 weight  1.00000E+00 volume  -1.27736E+06 ppm1      8.519 ppm2      5.440

 ASSI {  254}
   (( segid "   A" and resid 129  and name  HN  ))
   (( segid "   A" and resid 129  and name  HA  ))
      3.361     1.641     1.681 peak   254 weight  1.00000E+00 volume  -2.38538E+04 ppm1      8.523 ppm2      4.625

 ASSI {  257}
   (( segid "   A" and resid 129  and name  HN  ))
   (( segid "   A" and resid 129  and name  HB  ))
      4.190     2.095     2.095 peak   257 weight  1.00000E+00 volume  -1.68855E+04 ppm1      8.539 ppm2      2.026

 ASSI {  258}
   (( segid "   A" and resid 128  and name  HN  ))
   (( segid "   A" and resid 127  and name  HN  ))
      3.855     1.927     1.927 peak   258 weight  1.00000E+00 volume  -2.26495E+04 ppm1      7.424 ppm2      8.548

 ASSI {  259}
   (( segid "   A" and resid 129  and name  HN  ))
   (( segid "   A" and resid 174  and name  HN  ))
      3.545     1.773     1.773 peak   259 weight  1.00000E+00 volume  -2.62569E+04 ppm1      8.524 ppm2      8.986

 ASSI {  260}
   (( segid "   A" and resid 128  and name  HA  ))
   (( segid "   A" and resid 128  and name  HN  ))
      3.151     1.431     1.575 peak   260 weight  1.00000E+00 volume  -6.20431E+04 ppm1      7.422 ppm2      5.431

 ASSI {  262}
   (( segid "   A" and resid 128  and name  HN  ))
   (( segid "   A" and resid 126  and name  HA  ))
      3.474     1.737     1.737 peak   262 weight  1.00000E+00 volume  -3.34385E+04 ppm1      7.416 ppm2      4.533

 ASSI {  263}
   (( segid "   A" and resid 128  and name  HN  ))
   (( segid "   A" and resid 127  and name  HA  ))
      3.282     1.562     1.641 peak   263 weight  1.00000E+00 volume  -5.65286E+05 ppm1      7.417 ppm2      3.772

 ASSI {  265}
   (( segid "   A" and resid 128  and name  HN  ))
   (( segid "   A" and resid 126  and name  HB2 ))
      2.854     1.134     1.427 peak   265 weight  1.00000E+00 volume  -1.30574E+06 ppm1      7.415 ppm2      2.184

 ASSI {  266}
   (( segid "   A" and resid 128  and name  HN  ))
   (( segid "   A" and resid 127  and name  HB2 ))
      2.775     1.055     1.387 peak   266 weight  1.00000E+00 volume  -1.54739E+06 ppm1      7.410 ppm2      1.857

 ASSI {  267}
   (( segid "   A" and resid 128  and name  HN  ))
   (  segid "   A" and resid 128  and name  HG2#)
      2.883     1.163     1.442 peak   267 weight  1.00000E+00 volume  -8.44845E+04 ppm1      7.410 ppm2      0.960

 ASSI {  270}
   (( segid "   A" and resid 125  and name  HN  ))
   (( segid "   A" and resid 124  and name  HB1 ))
      2.984     1.264     1.492 peak   270 weight  1.00000E+00 volume  -5.85798E+04 ppm1      8.812 ppm2      1.773

 ASSI {  273}
   (( segid "   A" and resid 125  and name  HN  ))
   (( segid "   A" and resid 125  and name  HB2 ))
      3.023     1.303     1.511 peak   273 weight  1.00000E+00 volume  -5.55118E+04 ppm1      8.815 ppm2      1.584

 ASSI {  275}
   (( segid "   A" and resid 123  and name  HN  ))
   (( segid "   A" and resid 122  and name  HA2 ))
      2.521     0.801     1.260 peak   275 weight  1.00000E+00 volume  -1.60414E+05 ppm1      8.324 ppm2      4.168

 ASSI {  276}
   (( segid "   A" and resid 123  and name  HN  ))
   (( segid "   A" and resid 122  and name  HA1 ))
      2.490     0.770     1.245 peak   276 weight  1.00000E+00 volume  -1.81368E+05 ppm1      8.324 ppm2      4.095

 ASSI {  278}
   (( segid "   A" and resid 123  and name  HN  ))
   (  segid "   A" and resid 123  and name  HG1#)
      2.876     1.156     1.438 peak   278 weight  1.00000E+00 volume  -8.25818E+04 ppm1      8.322 ppm2      0.554

 ASSI {  279}
   (( segid "   A" and resid 122  and name  HN  ))
   (( segid "   A" and resid 121  and name  HN  ))
      2.902     1.182     1.451 peak   279 weight  1.00000E+00 volume  -1.18162E+06 ppm1      7.413 ppm2      8.976

 ASSI {  280}
   (( segid "   A" and resid 114  and name  HN  ))
   (( segid "   A" and resid 122  and name  HN  ))
      3.713     1.857     1.857 peak   280 weight  1.00000E+00 volume  -2.69410E+05 ppm1      7.415 ppm2      8.502

 ASSI {  281}
   (( segid "   A" and resid 122  and name  HN  ))
   (( segid "   A" and resid 115  and name  HA  ))
      4.052     2.026     2.026 peak   281 weight  1.00000E+00 volume  -1.59573E+05 ppm1      7.416 ppm2      5.335

 ASSI {  283}
   (( segid "   A" and resid 122  and name  HN  ))
   (( segid "   A" and resid 122  and name  HA2 ))
      2.747     1.027     1.373 peak   283 weight  1.00000E+00 volume  -1.09310E+05 ppm1      7.411 ppm2      4.167

 ASSI {  284}
   (( segid "   A" and resid 122  and name  HN  ))
   (( segid "   A" and resid 122  and name  HA1 ))
      2.799     1.079     1.400 peak   284 weight  1.00000E+00 volume  -7.37395E+04 ppm1      7.414 ppm2      4.098

 ASSI {  285}
   (( segid "   A" and resid 122  and name  HN  ))
   (( segid "   A" and resid 121  and name  HB  ))
      3.189     1.469     1.595 peak   285 weight  1.00000E+00 volume  -4.36832E+04 ppm1      7.412 ppm2      1.878

 ASSI {  288}
   (( segid "   A" and resid 122  and name  HN  ))
   (( segid "   A" and resid 121  and name  HN  ))
      3.385     1.665     1.692 peak   288 weight  1.00000E+00 volume  -4.69853E+05 ppm1      8.973 ppm2      7.416

 ASSI {  289}
   (( segid "   A" and resid 121  and name  HN  ))
   (( segid "   A" and resid 121  and name  HA  ))
      3.511     1.756     1.756 peak   289 weight  1.00000E+00 volume  -3.76832E+05 ppm1      8.987 ppm2      4.598

 ASSI {  291}
   (( segid "   A" and resid 121  and name  HN  ))
   (( segid "   A" and resid 121  and name  HB  ))
      3.638     1.819     1.819 peak   291 weight  1.00000E+00 volume  -1.56685E+04 ppm1      8.974 ppm2      1.911

 ASSI {  292}
   (( segid "   A" and resid 121  and name  HN  ))
   (  segid "   A" and resid 121  and name  HG2#)
      2.922     1.202     1.461 peak   292 weight  1.00000E+00 volume  -5.46470E+04 ppm1      8.974 ppm2      0.949

 ASSI {  293}
   (( segid "   A" and resid 116  and name  HN  ))
   (( segid "   A" and resid 119  and name  HN  ))
      3.108     1.388     1.554 peak   293 weight  1.00000E+00 volume  -7.82899E+05 ppm1      7.953 ppm2      8.870

 ASSI {  294}
   (( segid "   A" and resid 119  and name  HN  ))
   (( segid "   A" and resid 119  and name  HA  ))
      2.871     1.151     1.435 peak   294 weight  1.00000E+00 volume  -1.26147E+06 ppm1      7.954 ppm2      4.554

 ASSI {  295}
   (( segid "   A" and resid 119  and name  HN  ))
   (( segid "   A" and resid 118  and name  HA2 ))
      3.327     1.607     1.664 peak   295 weight  1.00000E+00 volume  -5.20473E+05 ppm1      7.960 ppm2      4.143

 ASSI {  296}
   (( segid "   A" and resid 119  and name  HN  ))
   (( segid "   A" and resid 115  and name  HA  ))
      4.132     2.066     2.066 peak   296 weight  1.00000E+00 volume  -1.41845E+05 ppm1      7.954 ppm2      5.332

 ASSI {  298}
   (( segid "   A" and resid 119  and name  HN  ))
   (( segid "   A" and resid 118  and name  HA1 ))
      3.560     1.780     1.780 peak   298 weight  1.00000E+00 volume  -3.46713E+05 ppm1      7.964 ppm2      3.494

 ASSI {  300}
   (( segid "   A" and resid 119  and name  HN  ))
   (( segid "   A" and resid 119  and name  HB2 ))
      2.715     0.995     1.358 peak   300 weight  1.00000E+00 volume  -1.37186E+05 ppm1      7.951 ppm2      1.976

 ASSI {  304}
   (( segid "   A" and resid 116  and name  HN  ))
   (( segid "   A" and resid 115  and name  HA  ))
      2.858     1.138     1.429 peak   304 weight  1.00000E+00 volume  -8.81469E+04 ppm1      8.853 ppm2      5.338

 ASSI {  306}
   (( segid "   A" and resid 116  and name  HN  ))
   (( segid "   A" and resid 120  and name  HA  ))
      3.584     1.792     1.792 peak   306 weight  1.00000E+00 volume  -2.39504E+04 ppm1      8.854 ppm2      4.158

 ASSI {  307}
   (( segid "   A" and resid 116  and name  HN  ))
   (( segid "   A" and resid 115  and name  HB  ))
      3.325     1.605     1.662 peak   307 weight  1.00000E+00 volume  -4.38203E+04 ppm1      8.853 ppm2      3.695

 ASSI {  309}
   (( segid "   A" and resid 116  and name  HN  ))
   (  segid "   A" and resid 115  and name  HG2#)
      2.975     1.255     1.487 peak   309 weight  1.00000E+00 volume  -6.14215E+04 ppm1      8.860 ppm2      0.901

 ASSI {  310}
   (( segid "   A" and resid 115  and name  HN  ))
   (  segid "   A" and resid 115  and name  HG2#)
      3.238     1.518     1.619 peak   310 weight  1.00000E+00 volume  -4.11421E+04 ppm1      8.933 ppm2      0.910

 ASSI {  312}
   (( segid "   A" and resid 66   and name  HN  ))
   (( segid "   A" and resid 115  and name  HN  ))
      3.192     1.472     1.596 peak   312 weight  1.00000E+00 volume  -4.36955E+04 ppm1      8.937 ppm2      8.781

 ASSI {  313}
   (( segid "   A" and resid 115  and name  HN  ))
   (( segid "   A" and resid 115  and name  HA  ))
      3.014     1.294     1.507 peak   313 weight  1.00000E+00 volume  -9.41214E+05 ppm1      8.942 ppm2      5.351

 ASSI {  314}
   (( segid "   A" and resid 115  and name  HN  ))
   (( segid "   A" and resid 114  and name  HA  ))
      2.667     0.947     1.334 peak   314 weight  1.00000E+00 volume  -1.96246E+06 ppm1      8.934 ppm2      5.226

 ASSI {  315}
   (( segid "   A" and resid 115  and name  HN  ))
   (( segid "   A" and resid 66   and name  HA  ))
      3.304     1.584     1.652 peak   315 weight  1.00000E+00 volume  -5.42480E+05 ppm1      8.930 ppm2      4.669

 ASSI {  319}
   (( segid "   A" and resid 114  and name  HN  ))
   (( segid "   A" and resid 113  and name  HA  ))
      2.850     1.130     1.425 peak   319 weight  1.00000E+00 volume  -9.40863E+04 ppm1      8.496 ppm2      4.415

 ASSI {  320}
   (( segid "   A" and resid 114  and name  HN  ))
   (( segid "   A" and resid 114  and name  HA  ))
      3.746     1.873     1.873 peak   320 weight  1.00000E+00 volume  -1.94823E+04 ppm1      8.497 ppm2      5.233

 ASSI {  321}
   (( segid "   A" and resid 114  and name  HN  ))
   (( segid "   A" and resid 123  and name  HA  ))
      3.273     1.553     1.637 peak   321 weight  1.00000E+00 volume  -5.74376E+05 ppm1      8.500 ppm2      4.695

 ASSI {  325}
   (( segid "   A" and resid 68   and name  HN  ))
   (( segid "   A" and resid 113  and name  HN  ))
      3.462     1.731     1.731 peak   325 weight  1.00000E+00 volume  -4.10521E+05 ppm1      9.074 ppm2      8.796

 ASSI {  326}
   (( segid "   A" and resid 113  and name  HN  ))
   (( segid "   A" and resid 112  and name  HA  ))
      2.768     1.048     1.384 peak   326 weight  1.00000E+00 volume  -1.04557E+05 ppm1      9.081 ppm2      5.094

 ASSI {  328}
   (( segid "   A" and resid 113  and name  HN  ))
   (( segid "   A" and resid 113  and name  HA  ))
      3.146     1.426     1.573 peak   328 weight  1.00000E+00 volume  -4.93669E+04 ppm1      9.065 ppm2      4.434

 ASSI {  329}
   (( segid "   A" and resid 112  and name  HN  ))
   (( segid "   A" and resid 124  and name  HN  ))
      3.392     1.672     1.696 peak   329 weight  1.00000E+00 volume  -2.27625E+04 ppm1      8.054 ppm2      9.175

 ASSI {  330}
   (( segid "   A" and resid 112  and name  HN  ))
   (( segid "   A" and resid 112  and name  HA  ))
      3.744     1.872     1.872 peak   330 weight  1.00000E+00 volume  -1.92565E+04 ppm1      8.045 ppm2      5.083

 ASSI {  331}
   (( segid "   A" and resid 112  and name  HN  ))
   (( segid "   A" and resid 111  and name  HA  ))
      2.641     0.921     1.321 peak   331 weight  1.00000E+00 volume  -1.26440E+05 ppm1      8.052 ppm2      4.761

 ASSI {  333}
   (( segid "   A" and resid 112  and name  HN  ))
   (( segid "   A" and resid 124  and name  HB1 ))
      2.984     1.264     1.492 peak   333 weight  1.00000E+00 volume  -5.25659E+04 ppm1      8.054 ppm2      1.814

 ASSI {  336}
   (( segid "   A" and resid 111  and name  HN  ))
   (( segid "   A" and resid 111  and name  HB  ))
      2.893     1.173     1.446 peak   336 weight  1.00000E+00 volume  -7.38076E+04 ppm1      9.055 ppm2      2.037

 ASSI {  337}
   (( segid "   A" and resid 70   and name  HN  ))
   (( segid "   A" and resid 111  and name  HN  ))
      2.918     1.198     1.459 peak   337 weight  1.00000E+00 volume  -1.14308E+06 ppm1      9.067 ppm2      8.950

 ASSI {  338}
   (( segid "   A" and resid 111  and name  HN  ))
   (( segid "   A" and resid 110  and name  HA  ))
      2.587     0.867     1.294 peak   338 weight  1.00000E+00 volume  -2.35588E+06 ppm1      9.065 ppm2      5.105

 ASSI {  339}
   (( segid "   A" and resid 111  and name  HN  ))
   (( segid "   A" and resid 111  and name  HA  ))
      2.982     1.262     1.491 peak   339 weight  1.00000E+00 volume  -1.00473E+06 ppm1      9.061 ppm2      4.768

 ASSI {  342}
   (( segid "   A" and resid 110  and name  HA  ))
   (( segid "   A" and resid 110  and name  HN  ))
      3.229     1.509     1.615 peak   342 weight  1.00000E+00 volume  -3.05869E+04 ppm1      8.535 ppm2      5.113

 ASSI {  344}
   (( segid "   A" and resid 110  and name  HN  ))
   (( segid "   A" and resid 109  and name  HA  ))
      2.495     0.775     1.247 peak   344 weight  1.00000E+00 volume  -2.92803E+06 ppm1      8.536 ppm2      4.300

 ASSI {  345}
   (( segid "   A" and resid 110  and name  HN  ))
   (( segid "   A" and resid 109  and name  HG2 ))
      3.086     1.366     1.543 peak   345 weight  1.00000E+00 volume  -8.17390E+05 ppm1      8.538 ppm2      2.642

 ASSI {  346}
   (( segid "   A" and resid 110  and name  HN  ))
   (( segid "   A" and resid 110  and name  HB2 ))
      2.528     0.808     1.264 peak   346 weight  1.00000E+00 volume  -2.70523E+06 ppm1      8.532 ppm2      2.036

 ASSI {  347}
   (( segid "   A" and resid 110  and name  HN  ))
   (( segid "   A" and resid 109  and name  HB2 ))
      3.296     1.576     1.648 peak   347 weight  1.00000E+00 volume  -2.84181E+04 ppm1      8.527 ppm2      2.315

 ASSI {  348}
   (( segid "   A" and resid 108  and name  HN  ))
   (( segid "   A" and resid 109  and name  HN  ))
      2.775     1.055     1.387 peak   348 weight  1.00000E+00 volume  -1.19169E+05 ppm1      8.109 ppm2      9.109

 ASSI {  351}
   (( segid "   A" and resid 109  and name  HA  ))
   (( segid "   A" and resid 109  and name  HN  ))
      2.773     1.053     1.387 peak   351 weight  1.00000E+00 volume  -1.07070E+05 ppm1      8.111 ppm2      4.303

 ASSI {  353}
   (( segid "   A" and resid 109  and name  HN  ))
   (( segid "   A" and resid 108  and name  HA2 ))
      3.282     1.562     1.641 peak   353 weight  1.00000E+00 volume  -4.82164E+04 ppm1      8.109 ppm2      3.744

 ASSI {  354}
   (( segid "   A" and resid 109  and name  HN  ))
   (( segid "   A" and resid 107  and name  HA  ))
      3.480     1.740     1.740 peak   354 weight  1.00000E+00 volume  -2.78771E+04 ppm1      8.114 ppm2      3.546

 ASSI {  356}
   (( segid "   A" and resid 109  and name  HG2 ))
   (( segid "   A" and resid 109  and name  HN  ))
      2.992     1.272     1.496 peak   356 weight  1.00000E+00 volume  -7.62040E+04 ppm1      8.114 ppm2      2.651

 ASSI {  357}
   (( segid "   A" and resid 109  and name  HB2 ))
   (( segid "   A" and resid 109  and name  HN  ))
      2.623     0.903     1.312 peak   357 weight  1.00000E+00 volume  -2.16613E+06 ppm1      8.116 ppm2      2.409

 ASSI {  358}
   (( segid "   A" and resid 109  and name  HB1 ))
   (( segid "   A" and resid 109  and name  HN  ))
      2.656     0.936     1.328 peak   358 weight  1.00000E+00 volume  -2.01047E+06 ppm1      8.109 ppm2      2.136

 ASSI {  360}
   (( segid "   A" and resid 110  and name  HN  ))
   (( segid "   A" and resid 109  and name  HN  ))
      4.399     2.199     2.199 peak   360 weight  1.00000E+00 volume  -9.74853E+04 ppm1      8.116 ppm2      8.532

 ASSI {  361}
   (( segid "   A" and resid 108  and name  HN  ))
   (( segid "   A" and resid 109  and name  HN  ))
      3.194     1.474     1.597 peak   361 weight  1.00000E+00 volume  -6.65248E+05 ppm1      9.104 ppm2      8.120

 ASSI {  364}
   (( segid "   A" and resid 108  and name  HN  ))
   (( segid "   A" and resid 107  and name  HA  ))
      2.817     1.097     1.409 peak   364 weight  1.00000E+00 volume  -1.41228E+06 ppm1      9.101 ppm2      3.547

 ASSI {  365}
   (( segid "   A" and resid 108  and name  HN  ))
   (( segid "   A" and resid 108  and name  HA2 ))
      2.980     1.260     1.490 peak   365 weight  1.00000E+00 volume  -1.00883E+06 ppm1      9.107 ppm2      3.764

 ASSI {  366}
   (( segid "   A" and resid 108  and name  HN  ))
   (( segid "   A" and resid 109  and name  HB1 ))
      3.424     1.704     1.712 peak   366 weight  1.00000E+00 volume  -4.38264E+05 ppm1      9.105 ppm2      2.129

 ASSI {  367}
   (( segid "   A" and resid 108  and name  HN  ))
   (( segid "   A" and resid 107  and name  HB2 ))
      3.197     1.477     1.599 peak   367 weight  1.00000E+00 volume  -3.76303E+04 ppm1      9.105 ppm2      1.915

 ASSI {  368}
   (( segid "   A" and resid 107  and name  HA  ))
   (( segid "   A" and resid 107  and name  HN  ))
      4.102     2.051     2.051 peak   368 weight  1.00000E+00 volume  -1.48155E+05 ppm1      9.097 ppm2      3.549

 ASSI {  370}
   (( segid "   A" and resid 107  and name  HN  ))
   (( segid "   A" and resid 107  and name  HB2 ))
      3.110     1.390     1.555 peak   370 weight  1.00000E+00 volume  -4.27425E+04 ppm1      9.095 ppm2      1.907

 ASSI {  371}
   (( segid "   A" and resid 106  and name  HN  ))
   (( segid "   A" and resid 106  and name  HA  ))
      3.191     1.471     1.596 peak   371 weight  1.00000E+00 volume  -4.89812E+04 ppm1      7.134 ppm2      4.656

 ASSI {  373}
   (( segid "   A" and resid 106  and name  HN  ))
   (( segid "   A" and resid 105  and name  HA  ))
      2.573     0.853     1.286 peak   373 weight  1.00000E+00 volume  -2.43469E+06 ppm1      7.129 ppm2      4.241

 ASSI {  374}
   (( segid "   A" and resid 109  and name  HB2 ))
   (( segid "   A" and resid 106  and name  HN  ))
      3.174     1.454     1.587 peak   374 weight  1.00000E+00 volume  -6.90500E+05 ppm1      7.130 ppm2      2.316

 ASSI {  375}
   (( segid "   A" and resid 106  and name  HN  ))
   (( segid "   A" and resid 106  and name  HB2 ))
      2.988     1.268     1.494 peak   375 weight  1.00000E+00 volume  -9.92531E+05 ppm1      7.134 ppm2      1.727

 ASSI {  378}
   (  segid "   A" and resid 105  and name  HD1#)
   (( segid "   A" and resid 105  and name  HN  ))
      3.069     1.349     1.535 peak   378 weight  1.00000E+00 volume  -5.92971E+04 ppm1      6.709 ppm2      0.414

 ASSI {  380}
   (( segid "   A" and resid 105  and name  HN  ))
   (( segid "   A" and resid 105  and name  HB2 ))
      2.899     1.179     1.449 peak   380 weight  1.00000E+00 volume  -7.67758E+04 ppm1      6.709 ppm2      1.207

 ASSI {  382}
   (( segid "   A" and resid 105  and name  HN  ))
   (( segid "   A" and resid 102  and name  HA  ))
      3.383     1.663     1.692 peak   382 weight  1.00000E+00 volume  -4.36471E+04 ppm1      6.719 ppm2      3.824

 ASSI {  383}
   (( segid "   A" and resid 105  and name  HA  ))
   (( segid "   A" and resid 105  and name  HN  ))
      3.357     1.637     1.679 peak   383 weight  1.00000E+00 volume  -3.51282E+04 ppm1      6.708 ppm2      4.238

 ASSI {  384}
   (( segid "   A" and resid 105  and name  HN  ))
   (( segid "   A" and resid 104  and name  HN  ))
      2.751     1.031     1.376 peak   384 weight  1.00000E+00 volume  -1.17308E+05 ppm1      6.712 ppm2      7.336

 ASSI {  385}
   (( segid "   A" and resid 105  and name  HN  ))
   (( segid "   A" and resid 104  and name  HN  ))
      2.890     1.170     1.445 peak   385 weight  1.00000E+00 volume  -8.47720E+04 ppm1      7.328 ppm2      6.720

 ASSI {  387}
   (( segid "   A" and resid 104  and name  HN  ))
   (( segid "   A" and resid 104  and name  HA  ))
      3.000     1.280     1.500 peak   387 weight  1.00000E+00 volume  -9.68992E+05 ppm1      7.331 ppm2      4.702

 ASSI {  388}
   (( segid "   A" and resid 104  and name  HN  ))
   (( segid "   A" and resid 101  and name  HA  ))
      3.237     1.517     1.619 peak   388 weight  1.00000E+00 volume  -6.13339E+05 ppm1      7.334 ppm2      4.000

 ASSI {  390}
   (( segid "   A" and resid 105  and name  HB2 ))
   (( segid "   A" and resid 104  and name  HN  ))
      2.953     1.233     1.476 peak   390 weight  1.00000E+00 volume  -1.06598E+06 ppm1      7.335 ppm2      1.186

 ASSI {  391}
   (( segid "   A" and resid 103  and name  HN  ))
   (( segid "   A" and resid 102  and name  HN  ))
      3.491     1.745     1.745 peak   391 weight  1.00000E+00 volume  -2.93016E+04 ppm1      7.313 ppm2      7.935

 ASSI {  394}
   (( segid "   A" and resid 103  and name  HN  ))
   (( segid "   A" and resid 103  and name  HA  ))
      2.987     1.267     1.494 peak   394 weight  1.00000E+00 volume  -9.93663E+05 ppm1      7.315 ppm2      4.008

 ASSI {  396}
   (( segid "   A" and resid 105  and name  HN  ))
   (( segid "   A" and resid 103  and name  HN  ))
      3.209     1.489     1.604 peak   396 weight  1.00000E+00 volume  -3.03914E+04 ppm1      7.321 ppm2      6.767

 ASSI {  397}
   (( segid "   A" and resid 102  and name  HN  ))
   (( segid "   A" and resid 101  and name  HN  ))
      3.339     1.619     1.670 peak   397 weight  1.00000E+00 volume  -5.03551E+04 ppm1      7.929 ppm2      8.914

 ASSI {  398}
   (( segid "   A" and resid 103  and name  HN  ))
   (( segid "   A" and resid 102  and name  HN  ))
      3.558     1.779     1.779 peak   398 weight  1.00000E+00 volume  -2.84545E+04 ppm1      7.928 ppm2      7.335

 ASSI {  399}
   (( segid "   A" and resid 102  and name  HA  ))
   (( segid "   A" and resid 102  and name  HN  ))
      3.040     1.320     1.520 peak   399 weight  1.00000E+00 volume  -5.59510E+04 ppm1      7.928 ppm2      3.807

 ASSI {  403}
   (( segid "   A" and resid 102  and name  HN  ))
   (( segid "   A" and resid 102  and name  HB2 ))
      2.591     0.871     1.295 peak   403 weight  1.00000E+00 volume  -1.44488E+05 ppm1      7.930 ppm2      1.584

 ASSI {  405}
   (( segid "   A" and resid 102  and name  HN  ))
   (  segid "   A" and resid 102  and name  HD1#)
      3.069     1.349     1.535 peak   405 weight  1.00000E+00 volume  -5.74005E+04 ppm1      7.935 ppm2      0.704

 ASSI {  406}
   (  segid "   A" and resid 105  and name  HD1#)
   (( segid "   A" and resid 102  and name  HN  ))
      3.289     1.569     1.645 peak   406 weight  1.00000E+00 volume  -4.75433E+04 ppm1      7.930 ppm2      0.409

 ASSI {  407}
   (( segid "   A" and resid 102  and name  HN  ))
   (( segid "   A" and resid 101  and name  HN  ))
      3.278     1.558     1.639 peak   407 weight  1.00000E+00 volume  -5.32013E+04 ppm1      8.905 ppm2      7.927

 ASSI {  408}
   (( segid "   A" and resid 101  and name  HN  ))
   (( segid "   A" and resid 100  and name  HA  ))
      2.946     1.226     1.473 peak   408 weight  1.00000E+00 volume  -8.09301E+04 ppm1      8.909 ppm2      3.990

 ASSI {  411}
   (( segid "   A" and resid 98   and name  HN  ))
   (( segid "   A" and resid 99   and name  HN  ))
      2.723     1.003     1.361 peak   411 weight  1.00000E+00 volume  -1.25652E+05 ppm1      7.226 ppm2      7.419

 ASSI {  412}
   (( segid "   A" and resid 99   and name  HN  ))
   (( segid "   A" and resid 98   and name  HA  ))
      3.117     1.397     1.558 peak   412 weight  1.00000E+00 volume  -6.85701E+04 ppm1      7.220 ppm2      4.838

 ASSI {  415}
   (( segid "   A" and resid 99   and name  HN  ))
   (( segid "   A" and resid 99   and name  HA  ))
      2.490     0.770     1.245 peak   415 weight  1.00000E+00 volume  -2.32803E+05 ppm1      7.223 ppm2      3.847

 ASSI {  417}
   (( segid "   A" and resid 99   and name  HN  ))
   (( segid "   A" and resid 99   and name  HB2 ))
      2.633     0.913     1.317 peak   417 weight  1.00000E+00 volume  -1.30212E+05 ppm1      7.220 ppm2      1.781

 ASSI {  418}
   (( segid "   A" and resid 99   and name  HN  ))
   (( segid "   A" and resid 99   and name  HG2 ))
      2.737     1.017     1.368 peak   418 weight  1.00000E+00 volume  -1.68098E+06 ppm1      7.223 ppm2      1.427

 ASSI {  420}
   (( segid "   A" and resid 98   and name  HN  ))
   (( segid "   A" and resid 98   and name  HA  ))
      3.279     1.559     1.639 peak   420 weight  1.00000E+00 volume  -4.50510E+04 ppm1      7.417 ppm2      4.832

 ASSI {  421}
   (( segid "   A" and resid 98   and name  HN  ))
   (( segid "   A" and resid 97   and name  HN  ))
      2.947     1.227     1.473 peak   421 weight  1.00000E+00 volume  -7.80806E+04 ppm1      7.427 ppm2      7.866

 ASSI {  422}
   (( segid "   A" and resid 98   and name  HN  ))
   (( segid "   A" and resid 99   and name  HN  ))
      3.050     1.330     1.525 peak   422 weight  1.00000E+00 volume  -8.77073E+05 ppm1      7.427 ppm2      7.219

 ASSI {  423}
   (( segid "   A" and resid 98   and name  HN  ))
   (( segid "   A" and resid 96   and name  HA  ))
      3.237     1.517     1.619 peak   423 weight  1.00000E+00 volume  -6.13764E+05 ppm1      7.437 ppm2      4.283

 ASSI {  425}
   (( segid "   A" and resid 98   and name  HN  ))
   (( segid "   A" and resid 97   and name  HB2 ))
      3.169     1.449     1.585 peak   425 weight  1.00000E+00 volume  -6.97210E+05 ppm1      7.427 ppm2      3.143

 ASSI {  426}
   (( segid "   A" and resid 98   and name  HN  ))
   (( segid "   A" and resid 98   and name  HB2 ))
      2.767     1.047     1.384 peak   426 weight  1.00000E+00 volume  -1.57340E+06 ppm1      7.420 ppm2      1.577

 ASSI {  428}
   (( segid "   A" and resid 98   and name  HN  ))
   (  segid "   A" and resid 98   and name  HD1#)
      2.962     1.242     1.481 peak   428 weight  1.00000E+00 volume  -1.04494E+06 ppm1      7.437 ppm2      0.668

 ASSI {  429}
   (( segid "   A" and resid 98   and name  HN  ))
   (( segid "   A" and resid 97   and name  HN  ))
      2.935     1.215     1.468 peak   429 weight  1.00000E+00 volume  -8.05513E+04 ppm1      7.879 ppm2      7.428

 ASSI {  431}
   (( segid "   A" and resid 97   and name  HN  ))
   (( segid "   A" and resid 97   and name  HA  ))
      2.779     1.059     1.390 peak   431 weight  1.00000E+00 volume  -1.12406E+05 ppm1      7.874 ppm2      4.289

 ASSI {  434}
   (( segid "   A" and resid 97   and name  HN  ))
   (( segid "   A" and resid 97   and name  HB2 ))
      2.811     1.091     1.405 peak   434 weight  1.00000E+00 volume  -8.79235E+04 ppm1      7.874 ppm2      3.143

 ASSI {  436}
   (( segid "   A" and resid 97   and name  HN  ))
   (( segid "   A" and resid 98   and name  HB2 ))
      3.374     1.654     1.687 peak   436 weight  1.00000E+00 volume  -2.94349E+04 ppm1      7.877 ppm2      1.551

 ASSI {  437}
   (( segid "   A" and resid 95   and name  HN  ))
   (( segid "   A" and resid 94   and name  HA  ))
      2.954     1.234     1.477 peak   437 weight  1.00000E+00 volume  -6.21497E+04 ppm1      8.756 ppm2      5.247

 ASSI {  439}
   (( segid "   A" and resid 95   and name  HN  ))
   (( segid "   A" and resid 95   and name  HA  ))
      3.047     1.327     1.524 peak   439 weight  1.00000E+00 volume  -8.81740E+05 ppm1      8.752 ppm2      4.623

 ASSI {  441}
   (( segid "   A" and resid 95   and name  HN  ))
   (( segid "   A" and resid 94   and name  HB2 ))
      2.983     1.263     1.492 peak   441 weight  1.00000E+00 volume  -1.00202E+06 ppm1      8.755 ppm2      4.060

 ASSI {  442}
   (( segid "   A" and resid 94   and name  HN  ))
   (( segid "   A" and resid 94   and name  HA  ))
      3.409     1.689     1.705 peak   442 weight  1.00000E+00 volume  -3.50654E+04 ppm1      8.485 ppm2      5.252

 ASSI {  443}
   (( segid "   A" and resid 94   and name  HN  ))
   (( segid "   A" and resid 93   and name  HA  ))
      2.641     0.921     1.320 peak   443 weight  1.00000E+00 volume  -1.42030E+05 ppm1      8.488 ppm2      4.858

 ASSI {  445}
   (( segid "   A" and resid 94   and name  HB2 ))
   (( segid "   A" and resid 94   and name  HN  ))
      3.157     1.437     1.578 peak   445 weight  1.00000E+00 volume  -5.44802E+04 ppm1      8.492 ppm2      4.041

 ASSI {  446}
   (( segid "   A" and resid 94   and name  HN  ))
   (( segid "   A" and resid 93   and name  HB2 ))
      3.164     1.444     1.582 peak   446 weight  1.00000E+00 volume  -7.03900E+05 ppm1      8.489 ppm2      1.555

 ASSI {  447}
   (( segid "   A" and resid 94   and name  HN  ))
   (  segid "   A" and resid 93   and name  HD1#)
      3.172     1.452     1.586 peak   447 weight  1.00000E+00 volume  -6.93974E+05 ppm1      8.489 ppm2      0.554

 ASSI {  448}
   (( segid "   A" and resid 93   and name  HN  ))
   (  segid "   A" and resid 93   and name  HD1#)
      3.397     1.677     1.698 peak   448 weight  1.00000E+00 volume  -4.59660E+05 ppm1      9.256 ppm2      0.554

 ASSI {  450}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 93   and name  HB2 ))
      3.354     1.634     1.677 peak   450 weight  1.00000E+00 volume  -4.96244E+05 ppm1      9.262 ppm2      1.517

 ASSI {  451}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 93   and name  HB1 ))
      3.418     1.698     1.709 peak   451 weight  1.00000E+00 volume  -2.52847E+04 ppm1      9.259 ppm2      1.676

 ASSI {  453}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 92   and name  HG2 ))
      3.661     1.830     1.830 peak   453 weight  1.00000E+00 volume  -2.29773E+04 ppm1      9.256 ppm2      2.149

 ASSI {  454}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 93   and name  HA  ))
      3.381     1.661     1.690 peak   454 weight  1.00000E+00 volume  -3.38049E+04 ppm1      9.256 ppm2      4.843

 ASSI {  455}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 92   and name  HA  ))
      2.768     1.048     1.384 peak   455 weight  1.00000E+00 volume  -1.57173E+06 ppm1      9.256 ppm2      5.586

 ASSI {  456}
   (( segid "   A" and resid 93   and name  HN  ))
   (  segid "   A" and resid 82   and name  HD# )
      3.651     1.825     1.825 peak   456 weight  1.00000E+00 volume  -2.98376E+05 ppm1      9.259 ppm2      6.997

 ASSI {  457}
   (( segid "   A" and resid 80   and name  HN  ))
   (( segid "   A" and resid 93   and name  HN  ))
      3.384     1.664     1.692 peak   457 weight  1.00000E+00 volume  -4.70647E+05 ppm1      9.262 ppm2      9.053

 ASSI {  458}
   (( segid "   A" and resid 92   and name  HA  ))
   (( segid "   A" and resid 92   and name  HN  ))
      3.626     1.813     1.813 peak   458 weight  1.00000E+00 volume  -2.33780E+04 ppm1      8.252 ppm2      5.601

 ASSI {  459}
   (( segid "   A" and resid 92   and name  HN  ))
   (( segid "   A" and resid 91   and name  HA  ))
      2.608     0.888     1.304 peak   459 weight  1.00000E+00 volume  -1.56834E+05 ppm1      8.263 ppm2      4.575

 ASSI {  460}
   (( segid "   A" and resid 92   and name  HG2 ))
   (( segid "   A" and resid 92   and name  HN  ))
      3.226     1.506     1.613 peak   460 weight  1.00000E+00 volume  -6.26303E+05 ppm1      8.253 ppm2      2.153

 ASSI {  461}
   (( segid "   A" and resid 92   and name  HN  ))
   (( segid "   A" and resid 92   and name  HB2 ))
      2.930     1.210     1.465 peak   461 weight  1.00000E+00 volume  -1.11570E+06 ppm1      8.253 ppm2      1.934

 ASSI {  462}
   (( segid "   A" and resid 92   and name  HN  ))
   (  segid "   A" and resid 91   and name  HG2#)
      3.342     1.622     1.671 peak   462 weight  1.00000E+00 volume  -5.06779E+05 ppm1      8.260 ppm2      0.969

 ASSI {  463}
   (( segid "   A" and resid 91   and name  HN  ))
   (  segid "   A" and resid 91   and name  HG2#)
      3.350     1.630     1.675 peak   463 weight  1.00000E+00 volume  -3.92146E+04 ppm1      8.930 ppm2      0.965

 ASSI {  464}
   (( segid "   A" and resid 91   and name  HN  ))
   (  segid "   A" and resid 81   and name  HG1#)
      3.128     1.408     1.564 peak   464 weight  1.00000E+00 volume  -5.09388E+04 ppm1      8.927 ppm2      0.704

 ASSI {  465}
   (( segid "   A" and resid 91   and name  HN  ))
   (( segid "   A" and resid 90   and name  HB2 ))
      2.765     1.045     1.382 peak   465 weight  1.00000E+00 volume  -9.40277E+04 ppm1      8.930 ppm2      1.964

 ASSI {  466}
   (( segid "   A" and resid 91   and name  HN  ))
   (( segid "   A" and resid 91   and name  HB  ))
      3.222     1.502     1.611 peak   466 weight  1.00000E+00 volume  -6.31722E+05 ppm1      8.931 ppm2      3.768

 ASSI {  467}
   (( segid "   A" and resid 91   and name  HN  ))
   (( segid "   A" and resid 91   and name  HA  ))
      3.245     1.525     1.622 peak   467 weight  1.00000E+00 volume  -6.05263E+05 ppm1      8.936 ppm2      4.577

 ASSI {  468}
   (( segid "   A" and resid 91   and name  HN  ))
   (( segid "   A" and resid 83   and name  HA  ))
      3.481     1.740     1.740 peak   468 weight  1.00000E+00 volume  -3.97126E+05 ppm1      8.938 ppm2      5.175

 ASSI {  469}
   (( segid "   A" and resid 91   and name  HN  ))
   (( segid "   A" and resid 90   and name  HA  ))
      2.698     0.978     1.349 peak   469 weight  1.00000E+00 volume  -1.83124E+06 ppm1      8.930 ppm2      5.452

 ASSI {  470}
   (( segid "   A" and resid 89   and name  HN  ))
   (( segid "   A" and resid 84   and name  HN  ))
      3.880     1.940     1.940 peak   470 weight  1.00000E+00 volume  -2.06917E+05 ppm1      7.659 ppm2      8.691

 ASSI {  471}
   (( segid "   A" and resid 88   and name  HN  ))
   (( segid "   A" and resid 89   and name  HN  ))
      3.570     1.785     1.785 peak   471 weight  1.00000E+00 volume  -3.40889E+05 ppm1      7.654 ppm2      7.930

 ASSI {  473}
   (( segid "   A" and resid 89   and name  HN  ))
   (( segid "   A" and resid 89   and name  HA  ))
      2.865     1.145     1.432 peak   473 weight  1.00000E+00 volume  -7.36935E+04 ppm1      7.661 ppm2      4.352

 ASSI {  475}
   (( segid "   A" and resid 89   and name  HN  ))
   (( segid "   A" and resid 89   and name  HB2 ))
      2.841     1.121     1.420 peak   475 weight  1.00000E+00 volume  -9.77535E+04 ppm1      7.664 ppm2      1.993

 ASSI {  476}
   (( segid "   A" and resid 89   and name  HN  ))
   (( segid "   A" and resid 89   and name  HB1 ))
      2.698     0.978     1.349 peak   476 weight  1.00000E+00 volume  -1.35110E+05 ppm1      7.659 ppm2      1.793

 ASSI {  477}
   (( segid "   A" and resid 89   and name  HN  ))
   (( segid "   A" and resid 89   and name  HG2 ))
      2.875     1.155     1.438 peak   477 weight  1.00000E+00 volume  -1.24998E+06 ppm1      7.653 ppm2      2.274

 ASSI {  478}
   (( segid "   A" and resid 89   and name  HN  ))
   (( segid "   A" and resid 84   and name  HB2 ))
      3.461     1.730     1.730 peak   478 weight  1.00000E+00 volume  -4.11170E+05 ppm1      7.653 ppm2      2.517

 ASSI {  480}
   (( segid "   A" and resid 88   and name  HN  ))
   (( segid "   A" and resid 89   and name  HN  ))
      3.806     1.903     1.903 peak   480 weight  1.00000E+00 volume  -2.00850E+04 ppm1      7.939 ppm2      7.652

 ASSI {  482}
   (( segid "   A" and resid 88   and name  HN  ))
   (( segid "   A" and resid 88   and name  HA  ))
      2.906     1.186     1.453 peak   482 weight  1.00000E+00 volume  -6.19225E+04 ppm1      7.935 ppm2      4.432

 ASSI {  488}
   (( segid "   A" and resid 87   and name  HN  ))
   (( segid "   A" and resid 86   and name  HN  ))
      3.017     1.297     1.509 peak   488 weight  1.00000E+00 volume  -5.86329E+04 ppm1      8.071 ppm2      8.726

 ASSI {  489}
   (( segid "   A" and resid 88   and name  HN  ))
   (( segid "   A" and resid 87   and name  HN  ))
      3.075     1.355     1.538 peak   489 weight  1.00000E+00 volume  -2.97137E+04 ppm1      8.067 ppm2      7.958

 ASSI {  492}
   (( segid "   A" and resid 87   and name  HN  ))
   (( segid "   A" and resid 87   and name  HB2 ))
      3.554     1.777     1.777 peak   492 weight  1.00000E+00 volume  -2.58358E+04 ppm1      8.069 ppm2      3.670

 ASSI {  494}
   (( segid "   A" and resid 87   and name  HN  ))
   (( segid "   A" and resid 86   and name  HB2 ))
      3.054     1.334     1.527 peak   494 weight  1.00000E+00 volume  -5.91484E+04 ppm1      8.076 ppm2      1.988

 ASSI {  495}
   (( segid "   A" and resid 87   and name  HN  ))
   (( segid "   A" and resid 86   and name  HN  ))
      3.007     1.287     1.503 peak   495 weight  1.00000E+00 volume  -9.55840E+05 ppm1      8.723 ppm2      8.077

 ASSI {  497}
   (( segid "   A" and resid 86   and name  HN  ))
   (( segid "   A" and resid 86   and name  HB2 ))
      2.727     1.007     1.363 peak   497 weight  1.00000E+00 volume  -1.71860E+06 ppm1      8.711 ppm2      1.973

 ASSI {  499}
   (( segid "   A" and resid 90   and name  HA  ))
   (( segid "   A" and resid 84   and name  HN  ))
      3.493     1.747     1.747 peak   499 weight  1.00000E+00 volume  -3.88741E+05 ppm1      8.686 ppm2      5.449

 ASSI {  500}
   (( segid "   A" and resid 83   and name  HA  ))
   (( segid "   A" and resid 84   and name  HN  ))
      2.865     1.145     1.432 peak   500 weight  1.00000E+00 volume  -1.27813E+06 ppm1      8.683 ppm2      5.169

 ASSI {  502}
   (( segid "   A" and resid 84   and name  HN  ))
   (( segid "   A" and resid 84   and name  HB2 ))
      3.055     1.335     1.527 peak   502 weight  1.00000E+00 volume  -8.69196E+05 ppm1      8.686 ppm2      2.498

 ASSI {  505}
   (( segid "   A" and resid 84   and name  HN  ))
   (( segid "   A" and resid 89   and name  HB2 ))
      3.212     1.492     1.606 peak   505 weight  1.00000E+00 volume  -6.43576E+05 ppm1      8.684 ppm2      2.020

 ASSI {  507}
   (( segid "   A" and resid 83   and name  HN  ))
   (( segid "   A" and resid 71   and name  HN  ))
      3.297     1.577     1.648 peak   507 weight  1.00000E+00 volume  -5.49890E+05 ppm1      9.324 ppm2      9.080

 ASSI {  509}
   (( segid "   A" and resid 83   and name  HN  ))
   (  segid "   A" and resid 82   and name  HD# )
      3.537     1.768     1.768 peak   509 weight  1.00000E+00 volume  -2.34649E+04 ppm1      9.324 ppm2      7.020

 ASSI {  510}
   (( segid "   A" and resid 83   and name  HN  ))
   (( segid "   A" and resid 83   and name  HA  ))
      2.811     1.091     1.406 peak   510 weight  1.00000E+00 volume  -9.04249E+04 ppm1      9.313 ppm2      5.181

 ASSI {  511}
   (( segid "   A" and resid 83   and name  HN  ))
   (( segid "   A" and resid 82   and name  HA  ))
      3.047     1.327     1.524 peak   511 weight  1.00000E+00 volume  -5.61989E+04 ppm1      9.324 ppm2      5.353

 ASSI {  514}
   (( segid "   A" and resid 83   and name  HN  ))
   (( segid "   A" and resid 71   and name  HB2 ))
      3.065     1.345     1.532 peak   514 weight  1.00000E+00 volume  -5.29775E+04 ppm1      9.326 ppm2      2.011

 ASSI {  515}
   (( segid "   A" and resid 83   and name  HN  ))
   (( segid "   A" and resid 70   and name  HB1 ))
      3.057     1.337     1.529 peak   515 weight  1.00000E+00 volume  -5.51111E+04 ppm1      9.322 ppm2      1.801

 ASSI {  516}
   (( segid "   A" and resid 83   and name  HN  ))
   (  segid "   A" and resid 81   and name  HG1#)
      3.322     1.602     1.661 peak   516 weight  1.00000E+00 volume  -3.33179E+04 ppm1      9.324 ppm2      0.708

 ASSI {  518}
   (( segid "   A" and resid 82   and name  HN  ))
   (  segid "   A" and resid 82   and name  HD# )
      3.239     1.519     1.620 peak   518 weight  1.00000E+00 volume  -4.01558E+04 ppm1      9.056 ppm2      7.004

 ASSI {  520}
   (( segid "   A" and resid 82   and name  HN  ))
   (( segid "   A" and resid 81   and name  HA  ))
      2.935     1.215     1.468 peak   520 weight  1.00000E+00 volume  -7.11653E+04 ppm1      9.047 ppm2      4.434

 ASSI {  522}
   (( segid "   A" and resid 82   and name  HN  ))
   (  segid "   A" and resid 81   and name  HG1#)
      2.846     1.126     1.423 peak   522 weight  1.00000E+00 volume  -8.08011E+04 ppm1      9.056 ppm2      0.712

 ASSI {  523}
   (( segid "   A" and resid 73   and name  HN  ))
   (  segid "   A" and resid 81   and name  HG1#)
      3.313     1.593     1.656 peak   523 weight  1.00000E+00 volume  -5.34416E+05 ppm1      8.778 ppm2      0.709

 ASSI {  525}
   (( segid "   A" and resid 81   and name  HN  ))
   (  segid "   A" and resid 81   and name  HG1#)
      2.786     1.066     1.393 peak   525 weight  1.00000E+00 volume  -1.51082E+06 ppm1      8.487 ppm2      0.716

 ASSI {  528}
   (( segid "   A" and resid 81   and name  HN  ))
   (( segid "   A" and resid 80   and name  HA  ))
      2.590     0.870     1.295 peak   528 weight  1.00000E+00 volume  -2.33781E+06 ppm1      8.476 ppm2      4.555

 ASSI {  529}
   (( segid "   A" and resid 81   and name  HN  ))
   (( segid "   A" and resid 74   and name  HN  ))
      3.454     1.727     1.727 peak   529 weight  1.00000E+00 volume  -4.15783E+05 ppm1      8.484 ppm2      6.342

 ASSI {  531}
   (( segid "   A" and resid 80   and name  HN  ))
   (( segid "   A" and resid 93   and name  HN  ))
      3.394     1.674     1.697 peak   531 weight  1.00000E+00 volume  -2.67003E+04 ppm1      9.043 ppm2      9.267

 ASSI {  534}
   (( segid "   A" and resid 80   and name  HN  ))
   (( segid "   A" and resid 79   and name  HA  ))
      2.673     0.953     1.337 peak   534 weight  1.00000E+00 volume  -9.31028E+04 ppm1      9.036 ppm2      5.204

 ASSI {  536}
   (( segid "   A" and resid 80   and name  HN  ))
   (( segid "   A" and resid 80   and name  HA  ))
      3.440     1.720     1.720 peak   536 weight  1.00000E+00 volume  -4.26280E+05 ppm1      9.044 ppm2      4.558

 ASSI {  538}
   (( segid "   A" and resid 80   and name  HN  ))
   (( segid "   A" and resid 79   and name  HB2 ))
      3.326     1.606     1.663 peak   538 weight  1.00000E+00 volume  -5.22115E+05 ppm1      9.046 ppm2      2.839

 ASSI {  539}
   (( segid "   A" and resid 80   and name  HN  ))
   (( segid "   A" and resid 79   and name  HB1 ))
      3.269     1.549     1.634 peak   539 weight  1.00000E+00 volume  -5.78973E+05 ppm1      9.042 ppm2      2.447

 ASSI {  541}
   (( segid "   A" and resid 76   and name  HN  ))
   (( segid "   A" and resid 79   and name  HN  ))
      3.540     1.770     1.770 peak   541 weight  1.00000E+00 volume  -3.04969E+04 ppm1      7.732 ppm2      8.832

 ASSI {  542}
   (( segid "   A" and resid 79   and name  HN  ))
   (( segid "   A" and resid 79   and name  HA  ))
      2.973     1.253     1.487 peak   542 weight  1.00000E+00 volume  -6.83555E+04 ppm1      7.731 ppm2      5.201

 ASSI {  544}
   (( segid "   A" and resid 79   and name  HN  ))
   (( segid "   A" and resid 79   and name  HB2 ))
      2.724     1.004     1.362 peak   544 weight  1.00000E+00 volume  -1.17578E+05 ppm1      7.728 ppm2      2.821

 ASSI {  545}
   (( segid "   A" and resid 79   and name  HN  ))
   (( segid "   A" and resid 79   and name  HB1 ))
      2.895     1.175     1.447 peak   545 weight  1.00000E+00 volume  -8.71305E+04 ppm1      7.728 ppm2      2.440

 ASSI {  546}
   (( segid "   A" and resid 81   and name  HN  ))
   (( segid "   A" and resid 76   and name  HN  ))
      3.596     1.798     1.798 peak   546 weight  1.00000E+00 volume  -2.66546E+04 ppm1      8.827 ppm2      8.454

 ASSI {  547}
   (( segid "   A" and resid 76   and name  HN  ))
   (( segid "   A" and resid 80   and name  HA  ))
      3.203     1.483     1.602 peak   547 weight  1.00000E+00 volume  -5.34645E+04 ppm1      8.827 ppm2      4.577

 ASSI {  549}
   (( segid "   A" and resid 76   and name  HN  ))
   (( segid "   A" and resid 76   and name  HB2 ))
      3.245     1.525     1.622 peak   549 weight  1.00000E+00 volume  -6.04972E+05 ppm1      8.825 ppm2      2.386

 ASSI {  550}
   (( segid "   A" and resid 76   and name  HN  ))
   (  segid "   A" and resid 75   and name  HB# )
      2.933     1.213     1.467 peak   550 weight  1.00000E+00 volume  -1.10843E+06 ppm1      8.830 ppm2      1.278

 ASSI {  551}
   (( segid "   A" and resid 76   and name  HN  ))
   (( segid "   A" and resid 76   and name  HB1 ))
      3.149     1.429     1.574 peak   551 weight  1.00000E+00 volume  -7.24820E+05 ppm1      8.827 ppm2      2.708

 ASSI {  553}
   (( segid "   A" and resid 74   and name  HN  ))
   (  segid "   A" and resid 74   and name  HE# )
      3.438     1.718     1.719 peak   553 weight  1.00000E+00 volume  -4.27684E+05 ppm1      6.319 ppm2      6.603

 ASSI {  554}
   (( segid "   A" and resid 75   and name  HA  ))
   (( segid "   A" and resid 75   and name  HN  ))
      2.543     0.823     1.272 peak   554 weight  1.00000E+00 volume  -1.90705E+05 ppm1      8.414 ppm2      4.711

 ASSI {  555}
   (( segid "   A" and resid 74   and name  HN  ))
   (( segid "   A" and resid 74   and name  HA  ))
      2.747     1.027     1.374 peak   555 weight  1.00000E+00 volume  -1.10610E+05 ppm1      6.328 ppm2      4.192

 ASSI {  556}
   (( segid "   A" and resid 75   and name  HN  ))
   (( segid "   A" and resid 74   and name  HA  ))
      2.361     0.641     1.181 peak   556 weight  1.00000E+00 volume  -2.48216E+05 ppm1      8.414 ppm2      4.221

 ASSI {  557}
   (( segid "   A" and resid 75   and name  HN  ))
   (( segid "   A" and resid 74   and name  HB2 ))
      3.030     1.310     1.515 peak   557 weight  1.00000E+00 volume  -6.59744E+04 ppm1      8.414 ppm2      3.343

 ASSI {  558}
   (( segid "   A" and resid 75   and name  HN  ))
   (( segid "   A" and resid 74   and name  HB1 ))
      2.886     1.166     1.443 peak   558 weight  1.00000E+00 volume  -9.12326E+04 ppm1      8.414 ppm2      2.845

 ASSI {  559}
   (( segid "   A" and resid 74   and name  HN  ))
   (( segid "   A" and resid 74   and name  HB2 ))
      3.796     1.898     1.898 peak   559 weight  1.00000E+00 volume  -2.52461E+04 ppm1      6.323 ppm2      3.331

 ASSI {  560}
   (( segid "   A" and resid 74   and name  HN  ))
   (( segid "   A" and resid 74   and name  HB1 ))
      3.706     1.853     1.853 peak   560 weight  1.00000E+00 volume  -2.79171E+04 ppm1      6.323 ppm2      2.824

 ASSI {  561}
   (  segid "   A" and resid 75   and name  HB# )
   (( segid "   A" and resid 75   and name  HN  ))
      2.704     0.984     1.352 peak   561 weight  1.00000E+00 volume  -1.19262E+05 ppm1      8.418 ppm2      1.272

 ASSI {  562}
   (( segid "   A" and resid 73   and name  HN  ))
   (( segid "   A" and resid 74   and name  HN  ))
      3.023     1.303     1.512 peak   562 weight  1.00000E+00 volume  -6.52801E+04 ppm1      6.323 ppm2      8.791

 ASSI {  563}
   (( segid "   A" and resid 81   and name  HN  ))
   (( segid "   A" and resid 74   and name  HN  ))
      3.458     1.729     1.729 peak   563 weight  1.00000E+00 volume  -3.18149E+04 ppm1      6.323 ppm2      8.464

 ASSI {  566}
   (( segid "   A" and resid 81   and name  HN  ))
   (( segid "   A" and resid 81   and name  HB  ))
      2.886     1.166     1.443 peak   566 weight  1.00000E+00 volume  -1.22226E+06 ppm1      8.480 ppm2      2.043

 ASSI {  568}
   (( segid "   A" and resid 73   and name  HN  ))
   (  segid "   A" and resid 73   and name  HD2#)
      3.651     1.825     1.825 peak   568 weight  1.00000E+00 volume  -1.49788E+04 ppm1      8.778 ppm2      0.950

 ASSI {  569}
   (( segid "   A" and resid 73   and name  HN  ))
   (  segid "   A" and resid 73   and name  HD1#)
      3.518     1.759     1.759 peak   569 weight  1.00000E+00 volume  -3.72795E+05 ppm1      8.778 ppm2      1.102

 ASSI {  570}
   (( segid "   A" and resid 73   and name  HN  ))
   (( segid "   A" and resid 74   and name  HA  ))
      3.123     1.403     1.561 peak   570 weight  1.00000E+00 volume  -7.61635E+05 ppm1      8.781 ppm2      4.183

 ASSI {  571}
   (( segid "   A" and resid 73   and name  HN  ))
   (( segid "   A" and resid 82   and name  HA  ))
      3.450     1.725     1.725 peak   571 weight  1.00000E+00 volume  -4.18711E+05 ppm1      8.776 ppm2      5.356

 ASSI {  573}
   (( segid "   A" and resid 73   and name  HN  ))
   (( segid "   A" and resid 74   and name  HN  ))
      3.400     1.680     1.700 peak   573 weight  1.00000E+00 volume  -4.57571E+05 ppm1      8.781 ppm2      6.346

 ASSI {  578}
   (( segid "   A" and resid 72   and name  HN  ))
   (( segid "   A" and resid 72   and name  HB2 ))
      2.915     1.195     1.458 peak   578 weight  1.00000E+00 volume  -1.15029E+06 ppm1      9.125 ppm2      2.714

 ASSI {  579}
   (( segid "   A" and resid 83   and name  HN  ))
   (( segid "   A" and resid 71   and name  HN  ))
      3.364     1.644     1.682 peak   579 weight  1.00000E+00 volume  -4.87746E+05 ppm1      9.086 ppm2      9.334

 ASSI {  582}
   (( segid "   A" and resid 71   and name  HN  ))
   (( segid "   A" and resid 71   and name  HA  ))
      2.909     1.189     1.455 peak   582 weight  1.00000E+00 volume  -4.76221E+04 ppm1      9.083 ppm2      5.239

 ASSI {  584}
   (( segid "   A" and resid 71   and name  HN  ))
   (( segid "   A" and resid 71   and name  HB2 ))
      2.758     1.038     1.379 peak   584 weight  1.00000E+00 volume  -9.99695E+04 ppm1      9.088 ppm2      1.996

 ASSI {  585}
   (( segid "   A" and resid 71   and name  HN  ))
   (( segid "   A" and resid 71   and name  HB1 ))
      3.002     1.282     1.501 peak   585 weight  1.00000E+00 volume  -5.96512E+04 ppm1      9.088 ppm2      1.815

 ASSI {  586}
   (( segid "   A" and resid 71   and name  HN  ))
   (( segid "   A" and resid 70   and name  HB2 ))
      3.407     1.687     1.703 peak   586 weight  1.00000E+00 volume  -4.51698E+05 ppm1      9.088 ppm2      1.601

 ASSI {  587}
   (( segid "   A" and resid 71   and name  HN  ))
   (( segid "   A" and resid 71   and name  HG2 ))
      3.369     1.649     1.685 peak   587 weight  1.00000E+00 volume  -4.82795E+05 ppm1      9.077 ppm2      2.214

 ASSI {  589}
   (( segid "   A" and resid 70   and name  HN  ))
   (( segid "   A" and resid 111  and name  HN  ))
      2.936     1.216     1.468 peak   589 weight  1.00000E+00 volume  -1.10326E+06 ppm1      8.914 ppm2      9.046

 ASSI {  590}
   (( segid "   A" and resid 113  and name  HN  ))
   (( segid "   A" and resid 70   and name  HN  ))
      3.130     1.410     1.565 peak   590 weight  1.00000E+00 volume  -7.51521E+05 ppm1      8.914 ppm2      9.085

 ASSI {  591}
   (( segid "   A" and resid 70   and name  HN  ))
   (( segid "   A" and resid 70   and name  HA  ))
      3.060     1.340     1.530 peak   591 weight  1.00000E+00 volume  -8.59719E+05 ppm1      8.912 ppm2      5.159

 ASSI {  592}
   (( segid "   A" and resid 70   and name  HN  ))
   (( segid "   A" and resid 69   and name  HA  ))
      2.586     0.866     1.293 peak   592 weight  1.00000E+00 volume  -2.36352E+06 ppm1      8.916 ppm2      4.719

 ASSI {  593}
   (( segid "   A" and resid 70   and name  HN  ))
   (( segid "   A" and resid 70   and name  HB1 ))
      2.934     1.214     1.467 peak   593 weight  1.00000E+00 volume  -7.15811E+04 ppm1      8.921 ppm2      1.797

 ASSI {  594}
   (( segid "   A" and resid 70   and name  HN  ))
   (( segid "   A" and resid 70   and name  HB2 ))
      3.033     1.313     1.517 peak   594 weight  1.00000E+00 volume  -5.15632E+04 ppm1      8.921 ppm2      1.619

 ASSI {  599}
   (( segid "   A" and resid 69   and name  HN  ))
   (( segid "   A" and resid 68   and name  HA  ))
      2.731     1.011     1.366 peak   599 weight  1.00000E+00 volume  -1.70085E+06 ppm1      8.688 ppm2      4.637

 ASSI {  600}
   (( segid "   A" and resid 68   and name  HN  ))
   (( segid "   A" and resid 113  and name  HN  ))
      3.370     1.650     1.685 peak   600 weight  1.00000E+00 volume  -4.82271E+05 ppm1      8.789 ppm2      9.067

 ASSI {  601}
   (( segid "   A" and resid 68   and name  HN  ))
   (( segid "   A" and resid 67   and name  HA  ))
      2.644     0.924     1.322 peak   601 weight  1.00000E+00 volume  -2.06541E+06 ppm1      8.784 ppm2      5.365

 ASSI {  603}
   (( segid "   A" and resid 68   and name  HN  ))
   (( segid "   A" and resid 68   and name  HB2 ))
      3.085     1.365     1.542 peak   603 weight  1.00000E+00 volume  -8.20037E+05 ppm1      8.793 ppm2      1.801

 ASSI {  604}
   (( segid "   A" and resid 68   and name  HN  ))
   (( segid "   A" and resid 68   and name  HG2 ))
      2.913     1.193     1.457 peak   604 weight  1.00000E+00 volume  -1.15574E+06 ppm1      8.788 ppm2      1.608

 ASSI {  605}
   (( segid "   A" and resid 68   and name  HN  ))
   (( segid "   A" and resid 67   and name  HB2 ))
      3.576     1.788     1.788 peak   605 weight  1.00000E+00 volume  -3.37610E+05 ppm1      8.786 ppm2      2.581

 ASSI {  606}
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 56   and name  HN  ))
      4.262     2.131     2.131 peak   606 weight  1.00000E+00 volume  -1.17805E+05 ppm1      7.983 ppm2      9.319

 ASSI {  607}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 36   and name  HA  ))
      3.336     1.616     1.668 peak   607 weight  1.00000E+00 volume  -3.79225E+04 ppm1      7.980 ppm2      5.173

 ASSI {  608}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 55   and name  HA  ))
      2.879     1.159     1.440 peak   608 weight  1.00000E+00 volume  -9.41160E+04 ppm1      7.980 ppm2      4.409

 ASSI {  610}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 36   and name  HB2 ))
      3.846     1.923     1.923 peak   610 weight  1.00000E+00 volume  -1.84139E+04 ppm1      7.975 ppm2      3.050

 ASSI {  611}
   (( segid "   A" and resid 56   and name  HN  ))
   (  segid "   A" and resid 56   and name  HB# )
      2.886     1.166     1.443 peak   611 weight  1.00000E+00 volume  -1.22132E+06 ppm1      7.977 ppm2      1.300

 ASSI {  614}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 56   and name  HA  ))
      2.580     0.860     1.290 peak   614 weight  1.00000E+00 volume  -2.39395E+06 ppm1      7.975 ppm2      4.690

 ASSI {  615}
   (( segid "   A" and resid 55   and name  HN  ))
   (  segid "   A" and resid 54   and name  HD# )
      3.711     1.856     1.856 peak   615 weight  1.00000E+00 volume  -1.97160E+04 ppm1      9.307 ppm2      7.026

 ASSI {  616}
   (( segid "   A" and resid 55   and name  HA  ))
   (( segid "   A" and resid 55   and name  HN  ))
      3.771     1.885     1.885 peak   616 weight  1.00000E+00 volume  -1.97691E+04 ppm1      9.319 ppm2      4.399

 ASSI {  617}
   (( segid "   A" and resid 55   and name  HN  ))
   (( segid "   A" and resid 54   and name  HA  ))
      2.623     0.903     1.312 peak   617 weight  1.00000E+00 volume  -1.26205E+05 ppm1      9.319 ppm2      4.784

 ASSI {  618}
   (( segid "   A" and resid 55   and name  HN  ))
   (( segid "   A" and resid 54   and name  HB2 ))
      3.604     1.802     1.802 peak   618 weight  1.00000E+00 volume  -2.74288E+04 ppm1      9.314 ppm2      2.979

 ASSI {  622}
   (( segid "   A" and resid 54   and name  HN  ))
   (  segid "   A" and resid 54   and name  HD# )
      2.919     1.199     1.460 peak   622 weight  1.00000E+00 volume  -8.27881E+04 ppm1      9.037 ppm2      7.037

 ASSI {  623}
   (( segid "   A" and resid 54   and name  HN  ))
   (  segid "   A" and resid 54   and name  HE# )
      4.549     2.275     2.275 peak   623 weight  1.00000E+00 volume  -1.14874E+04 ppm1      9.043 ppm2      7.176

 ASSI {  624}
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 53   and name  HA  ))
      2.533     0.813     1.266 peak   624 weight  1.00000E+00 volume  -2.67499E+06 ppm1      9.041 ppm2      5.188

 ASSI {  625}
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 54   and name  HA  ))
      3.126     1.406     1.563 peak   625 weight  1.00000E+00 volume  -7.57487E+05 ppm1      9.045 ppm2      4.819

 ASSI {  626}
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 54   and name  HB2 ))
      3.162     1.442     1.581 peak   626 weight  1.00000E+00 volume  -7.06281E+05 ppm1      9.037 ppm2      2.987

 ASSI {  630}
   (( segid "   A" and resid 54   and name  HN  ))
   (  segid "   A" and resid 37   and name  HG1#)
      3.281     1.561     1.641 peak   630 weight  1.00000E+00 volume  -5.65803E+05 ppm1      9.043 ppm2      0.570

 ASSI {  632}
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 51   and name  HA  ))
      2.452     0.732     1.226 peak   632 weight  1.00000E+00 volume  -3.24736E+06 ppm1      8.551 ppm2      5.182

 ASSI {  633}
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 40   and name  HA  ))
      2.855     1.135     1.428 peak   633 weight  1.00000E+00 volume  -1.30347E+06 ppm1      8.551 ppm2      4.730

 ASSI {  634}
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 52   and name  HA  ))
      3.211     1.491     1.605 peak   634 weight  1.00000E+00 volume  -6.44539E+05 ppm1      8.559 ppm2      4.407

 ASSI {  637}
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 52   and name  HD2 ))
      3.455     1.728     1.728 peak   637 weight  1.00000E+00 volume  -4.14980E+05 ppm1      8.560 ppm2      1.577

 ASSI {  638}
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 52   and name  HB2 ))
      2.907     1.187     1.454 peak   638 weight  1.00000E+00 volume  -5.82882E+04 ppm1      8.555 ppm2      1.920

 ASSI {  642}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 39   and name  HA  ))
      2.601     0.881     1.300 peak   642 weight  1.00000E+00 volume  -1.60599E+05 ppm1      8.609 ppm2      5.398

 ASSI {  644}
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 50   and name  HA  ))
      2.974     1.254     1.487 peak   644 weight  1.00000E+00 volume  -1.02144E+06 ppm1      8.623 ppm2      4.770

 ASSI {  647}
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 51   and name  HB2 ))
      3.153     1.433     1.577 peak   647 weight  1.00000E+00 volume  -7.18337E+05 ppm1      8.607 ppm2      1.741

 ASSI {  648}
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 50   and name  HN  ))
      3.448     1.724     1.724 peak   648 weight  1.00000E+00 volume  -4.20544E+05 ppm1      9.280 ppm2      9.015

 ASSI {  649}
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 49   and name  HA  ))
      2.478     0.758     1.239 peak   649 weight  1.00000E+00 volume  -3.05127E+06 ppm1      9.280 ppm2      5.406

 ASSI {  650}
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 50   and name  HA  ))
      2.964     1.244     1.482 peak   650 weight  1.00000E+00 volume  -1.04210E+06 ppm1      9.288 ppm2      4.742

 ASSI {  652}
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 50   and name  HB2 ))
      2.839     1.119     1.420 peak   652 weight  1.00000E+00 volume  -1.34837E+06 ppm1      9.275 ppm2      1.856

 ASSI {  653}
   (  segid "   A" and resid 49   and name  HD1#)
   (( segid "   A" and resid 49   and name  HN  ))
      2.966     1.246     1.483 peak   653 weight  1.00000E+00 volume  -1.03759E+06 ppm1      8.430 ppm2      0.844

 ASSI {  654}
   (( segid "   A" and resid 49   and name  HN  ))
   (  segid "   A" and resid 48   and name  HB# )
      2.725     1.005     1.363 peak   654 weight  1.00000E+00 volume  -1.14938E+05 ppm1      8.425 ppm2      1.407

 ASSI {  655}
   (( segid "   A" and resid 49   and name  HN  ))
   (( segid "   A" and resid 49   and name  HB  ))
      2.711     0.991     1.356 peak   655 weight  1.00000E+00 volume  -1.13700E+05 ppm1      8.435 ppm2      1.821

 ASSI {  657}
   (( segid "   A" and resid 49   and name  HN  ))
   (( segid "   A" and resid 48   and name  HA  ))
      2.314     0.594     1.157 peak   657 weight  1.00000E+00 volume  -2.91597E+05 ppm1      8.428 ppm2      4.269

 ASSI {  658}
   (( segid "   A" and resid 49   and name  HA  ))
   (( segid "   A" and resid 49   and name  HN  ))
      3.550     1.775     1.775 peak   658 weight  1.00000E+00 volume  -2.25415E+04 ppm1      8.432 ppm2      5.411

 ASSI {  659}
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 47   and name  HN  ))
      3.178     1.458     1.589 peak   659 weight  1.00000E+00 volume  -6.85423E+05 ppm1      7.516 ppm2      8.328

 ASSI {  661}
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 48   and name  HA  ))
      2.735     1.015     1.368 peak   661 weight  1.00000E+00 volume  -1.68727E+06 ppm1      7.530 ppm2      4.272

 ASSI {  662}
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 47   and name  HA2 ))
      3.530     1.765     1.765 peak   662 weight  1.00000E+00 volume  -3.28436E+04 ppm1      7.523 ppm2      3.629

 ASSI {  663}
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 43   and name  HB2 ))
      3.267     1.547     1.634 peak   663 weight  1.00000E+00 volume  -5.80610E+05 ppm1      7.523 ppm2      2.908

 ASSI {  665}
   (( segid "   A" and resid 48   and name  HN  ))
   (  segid "   A" and resid 48   and name  HB# )
      2.465     0.745     1.233 peak   665 weight  1.00000E+00 volume  -3.14440E+06 ppm1      7.520 ppm2      1.398

 ASSI {  666}
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 47   and name  HN  ))
      3.224     1.504     1.612 peak   666 weight  1.00000E+00 volume  -4.56476E+04 ppm1      8.317 ppm2      7.526

 ASSI {  667}
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 46   and name  HN  ))
      3.113     1.393     1.557 peak   667 weight  1.00000E+00 volume  -5.53374E+04 ppm1      8.314 ppm2      7.307

 ASSI {  669}
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 47   and name  HA2 ))
      2.925     1.205     1.462 peak   669 weight  1.00000E+00 volume  -1.12792E+06 ppm1      8.311 ppm2      3.646

 ASSI {  670}
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 47   and name  HA1 ))
      2.843     1.123     1.421 peak   670 weight  1.00000E+00 volume  -1.33880E+06 ppm1      8.320 ppm2      4.280

 ASSI {  672}
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 43   and name  HB2 ))
      3.871     1.936     1.936 peak   672 weight  1.00000E+00 volume  -2.09861E+05 ppm1      8.311 ppm2      2.899

 ASSI {  675}
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 45   and name  HN  ))
      2.912     1.192     1.456 peak   675 weight  1.00000E+00 volume  -1.15888E+06 ppm1      7.302 ppm2      8.220

 ASSI {  676}
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 46   and name  HN  ))
      2.908     1.188     1.454 peak   676 weight  1.00000E+00 volume  -6.62640E+04 ppm1      7.306 ppm2      8.326

 ASSI {  677}
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 46   and name  HN  ))
      4.029     2.014     2.014 peak   677 weight  1.00000E+00 volume  -1.60304E+04 ppm1      7.310 ppm2      7.529

 ASSI {  679}
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 46   and name  HA  ))
      2.937     1.217     1.468 peak   679 weight  1.00000E+00 volume  -7.37791E+04 ppm1      7.313 ppm2      4.459

 ASSI {  680}
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 45   and name  HB2 ))
      3.208     1.488     1.604 peak   680 weight  1.00000E+00 volume  -3.97915E+04 ppm1      7.308 ppm2      1.818

 ASSI {  681}
   (( segid "   A" and resid 46   and name  HN  ))
   (  segid "   A" and resid 46   and name  HG2#)
      2.963     1.243     1.481 peak   681 weight  1.00000E+00 volume  -7.47909E+04 ppm1      7.306 ppm2      1.057

 ASSI {  682}
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 46   and name  HB  ))
      2.952     1.232     1.476 peak   682 weight  1.00000E+00 volume  -6.41971E+04 ppm1      7.308 ppm2      4.401

 ASSI {  683}
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 45   and name  HN  ))
      3.063     1.343     1.532 peak   683 weight  1.00000E+00 volume  -8.54383E+05 ppm1      8.201 ppm2      8.358

 ASSI {  684}
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 45   and name  HN  ))
      2.970     1.250     1.485 peak   684 weight  1.00000E+00 volume  -1.02908E+06 ppm1      8.201 ppm2      7.313

 ASSI {  685}
   (( segid "   A" and resid 45   and name  HN  ))
   (( segid "   A" and resid 45   and name  HA  ))
      2.893     1.173     1.447 peak   685 weight  1.00000E+00 volume  -1.20372E+06 ppm1      8.213 ppm2      4.450

 ASSI {  686}
   (( segid "   A" and resid 45   and name  HN  ))
   (( segid "   A" and resid 44   and name  HA  ))
      3.502     1.751     1.751 peak   686 weight  1.00000E+00 volume  -2.38372E+04 ppm1      8.204 ppm2      3.976

 ASSI {  687}
   (( segid "   A" and resid 45   and name  HN  ))
   (( segid "   A" and resid 45   and name  HB2 ))
      2.912     1.192     1.456 peak   687 weight  1.00000E+00 volume  -7.17843E+04 ppm1      8.201 ppm2      1.796

 ASSI {  688}
   (( segid "   A" and resid 45   and name  HN  ))
   (( segid "   A" and resid 44   and name  HB2 ))
      3.106     1.386     1.553 peak   688 weight  1.00000E+00 volume  -7.86919E+05 ppm1      8.210 ppm2      1.495

 ASSI {  689}
   (( segid "   A" and resid 45   and name  HN  ))
   (  segid "   A" and resid 46   and name  HG2#)
      3.394     1.674     1.697 peak   689 weight  1.00000E+00 volume  -4.62442E+05 ppm1      8.207 ppm2      1.078

 ASSI {  690}
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 45   and name  HN  ))
      3.525     1.762     1.762 peak   690 weight  1.00000E+00 volume  -3.68428E+05 ppm1      8.360 ppm2      8.220

 ASSI {  691}
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 20   and name  HA  ))
      3.412     1.692     1.706 peak   691 weight  1.00000E+00 volume  -3.64189E+04 ppm1      8.366 ppm2      5.543

 ASSI {  692}
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 44   and name  HA  ))
      2.791     1.071     1.396 peak   692 weight  1.00000E+00 volume  -8.43416E+04 ppm1      8.364 ppm2      3.956

 ASSI {  694}
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 44   and name  HB2 ))
      2.971     1.251     1.485 peak   694 weight  1.00000E+00 volume  -5.47929E+04 ppm1      8.361 ppm2      1.496

 ASSI {  695}
   (( segid "   A" and resid 44   and name  HN  ))
   (  segid "   A" and resid 44   and name  HD1#)
      3.315     1.595     1.657 peak   695 weight  1.00000E+00 volume  -2.61664E+04 ppm1      8.359 ppm2      0.776

 ASSI {  699}
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 42   and name  HA  ))
      2.935     1.215     1.468 peak   699 weight  1.00000E+00 volume  -7.31048E+04 ppm1      9.718 ppm2      5.361

 ASSI {  700}
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 43   and name  HA  ))
      3.661     1.831     1.831 peak   700 weight  1.00000E+00 volume  -2.22509E+04 ppm1      9.718 ppm2      3.941

 ASSI {  701}
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 43   and name  HB2 ))
      3.294     1.574     1.647 peak   701 weight  1.00000E+00 volume  -3.21509E+04 ppm1      9.725 ppm2      2.901

 ASSI {  704}
   (( segid "   A" and resid 43   and name  HN  ))
   (  segid "   A" and resid 48   and name  HB# )
      3.182     1.462     1.591 peak   704 weight  1.00000E+00 volume  -4.16603E+04 ppm1      9.720 ppm2      1.385

 ASSI {  705}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 41   and name  HA  ))
      2.847     1.127     1.423 peak   705 weight  1.00000E+00 volume  -1.32715E+06 ppm1      9.356 ppm2      5.331

 ASSI {  706}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 22   and name  HA  ))
      3.820     1.910     1.910 peak   706 weight  1.00000E+00 volume  -2.27443E+05 ppm1      9.346 ppm2      3.975

 ASSI {  709}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 41   and name  HB2 ))
      2.923     1.203     1.462 peak   709 weight  1.00000E+00 volume  -6.80590E+04 ppm1      9.352 ppm2      1.592

 ASSI {  710}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 23   and name  HG11))
      3.183     1.463     1.591 peak   710 weight  1.00000E+00 volume  -6.79715E+05 ppm1      9.352 ppm2      1.357

 ASSI {  711}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 42   and name  HB2 ))
      3.256     1.536     1.628 peak   711 weight  1.00000E+00 volume  -3.41972E+04 ppm1      9.346 ppm2      1.783

 ASSI {  712}
   (( segid "   A" and resid 42   and name  HN  ))
   (  segid "   A" and resid 41   and name  HD1#)
      3.100     1.380     1.550 peak   712 weight  1.00000E+00 volume  -5.06100E+04 ppm1      9.352 ppm2      0.767

 ASSI {  713}
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 50   and name  HN  ))
      3.581     1.791     1.791 peak   713 weight  1.00000E+00 volume  -2.49639E+04 ppm1      9.016 ppm2      9.293

 ASSI {  714}
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 41   and name  HN  ))
      3.539     1.770     1.770 peak   714 weight  1.00000E+00 volume  -3.59343E+05 ppm1      9.009 ppm2      8.569

 ASSI {  715}
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 41   and name  HA  ))
      3.317     1.597     1.658 peak   715 weight  1.00000E+00 volume  -5.30463E+05 ppm1      9.016 ppm2      5.333

 ASSI {  716}
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 51   and name  HA  ))
      3.367     1.647     1.683 peak   716 weight  1.00000E+00 volume  -4.84767E+05 ppm1      9.016 ppm2      5.184

 ASSI {  717}
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 40   and name  HA  ))
      2.640     0.920     1.320 peak   717 weight  1.00000E+00 volume  -2.08425E+06 ppm1      9.020 ppm2      4.747

 ASSI {  718}
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 41   and name  HB2 ))
      2.757     1.037     1.379 peak   718 weight  1.00000E+00 volume  -1.04162E+05 ppm1      9.020 ppm2      1.583

 ASSI {  720}
   (( segid "   A" and resid 41   and name  HN  ))
   (  segid "   A" and resid 41   and name  HD1#)
      3.143     1.423     1.572 peak   720 weight  1.00000E+00 volume  -3.60409E+04 ppm1      9.016 ppm2      0.814

 ASSI {  722}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 40   and name  HN  ))
      3.547     1.774     1.774 peak   722 weight  1.00000E+00 volume  -2.75879E+04 ppm1      8.599 ppm2      8.003

 ASSI {  723}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 40   and name  HA  ))
      2.846     1.126     1.423 peak   723 weight  1.00000E+00 volume  -1.32818E+06 ppm1      8.605 ppm2      4.725

 ASSI {  724}
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 52   and name  HN  ))
      3.403     1.683     1.702 peak   724 weight  1.00000E+00 volume  -4.54561E+05 ppm1      8.995 ppm2      8.561

 ASSI {  725}
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 38   and name  HA  ))
      2.610     0.890     1.305 peak   725 weight  1.00000E+00 volume  -2.23265E+06 ppm1      8.995 ppm2      4.913

 ASSI {  726}
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 53   and name  HA  ))
      3.126     1.406     1.563 peak   726 weight  1.00000E+00 volume  -5.24379E+04 ppm1      8.998 ppm2      5.179

 ASSI {  727}
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 39   and name  HA  ))
      3.734     1.867     1.867 peak   727 weight  1.00000E+00 volume  -2.60666E+05 ppm1      9.003 ppm2      5.379

 ASSI {  728}
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 39   and name  HB2 ))
      3.265     1.545     1.632 peak   728 weight  1.00000E+00 volume  -5.83161E+05 ppm1      8.987 ppm2      3.932

 ASSI {  731}
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 37   and name  HA  ))
      2.460     0.740     1.230 peak   731 weight  1.00000E+00 volume  -3.18952E+06 ppm1      8.877 ppm2      4.843

 ASSI {  732}
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 38   and name  HA  ))
      2.492     0.772     1.246 peak   732 weight  1.00000E+00 volume  -2.95213E+06 ppm1      8.887 ppm2      4.905

 ASSI {  733}
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 38   and name  HB2 ))
      3.134     1.414     1.567 peak   733 weight  1.00000E+00 volume  -7.45778E+05 ppm1      8.884 ppm2      1.879

 ASSI {  734}
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 38   and name  HB1 ))
      3.089     1.369     1.544 peak   734 weight  1.00000E+00 volume  -8.13633E+05 ppm1      8.884 ppm2      1.697

 ASSI {  735}
   (( segid "   A" and resid 38   and name  HN  ))
   (  segid "   A" and resid 37   and name  HG1#)
      2.681     0.961     1.341 peak   735 weight  1.00000E+00 volume  -1.14425E+05 ppm1      8.887 ppm2      0.576

 ASSI {  736}
   (( segid "   A" and resid 37   and name  HN  ))
   (  segid "   A" and resid 37   and name  HG1#)
      3.143     1.423     1.572 peak   736 weight  1.00000E+00 volume  -4.96340E+04 ppm1      9.306 ppm2      0.566

 ASSI {  737}
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 54   and name  HN  ))
      3.543     1.771     1.771 peak   737 weight  1.00000E+00 volume  -2.20864E+04 ppm1      9.306 ppm2      9.073

 ASSI {  738}
   (( segid "   A" and resid 37   and name  HN  ))
   (  segid "   A" and resid 36   and name  HD# )
      3.412     1.692     1.706 peak   738 weight  1.00000E+00 volume  -4.47675E+05 ppm1      9.298 ppm2      7.049

 ASSI {  739}
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 36   and name  HA  ))
      2.825     1.105     1.413 peak   739 weight  1.00000E+00 volume  -1.38843E+06 ppm1      9.301 ppm2      5.173

 ASSI {  740}
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 37   and name  HA  ))
      3.739     1.870     1.870 peak   740 weight  1.00000E+00 volume  -2.58379E+05 ppm1      9.310 ppm2      4.844

 ASSI {  741}
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 36   and name  HB2 ))
      2.950     1.230     1.475 peak   741 weight  1.00000E+00 volume  -1.07264E+06 ppm1      9.306 ppm2      3.037

 ASSI {  743}
   (( segid "   A" and resid 36   and name  HN  ))
   (  segid "   A" and resid 37   and name  HG1#)
      3.423     1.703     1.711 peak   743 weight  1.00000E+00 volume  -3.80431E+04 ppm1      8.638 ppm2      0.581

 ASSI {  745}
   (( segid "   A" and resid 36   and name  HN  ))
   (  segid "   A" and resid 35   and name  HB# )
      2.716     0.996     1.358 peak   745 weight  1.00000E+00 volume  -1.75810E+06 ppm1      8.641 ppm2      1.460

 ASSI {  746}
   (( segid "   A" and resid 36   and name  HN  ))
   (( segid "   A" and resid 36   and name  HB2 ))
      3.608     1.804     1.804 peak   746 weight  1.00000E+00 volume  -3.20178E+05 ppm1      8.638 ppm2      3.030

 ASSI {  748}
   (( segid "   A" and resid 35   and name  HN  ))
   (( segid "   A" and resid 35   and name  HA  ))
      3.420     1.700     1.710 peak   748 weight  1.00000E+00 volume  -4.41123E+05 ppm1      8.336 ppm2      4.715

 ASSI {  749}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 27   and name  HA  ))
      2.487     0.767     1.243 peak   749 weight  1.00000E+00 volume  -2.98503E+06 ppm1      8.846 ppm2      4.841

 ASSI {  750}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 28   and name  HA  ))
      3.634     1.817     1.817 peak   750 weight  1.00000E+00 volume  -3.06756E+05 ppm1      8.852 ppm2      3.932

 ASSI {  754}
   (( segid "   A" and resid 28   and name  HN  ))
   (  segid "   A" and resid 28   and name  HG1#)
      2.680     0.960     1.340 peak   754 weight  1.00000E+00 volume  -1.20216E+05 ppm1      8.847 ppm2      0.581

 ASSI {  758}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 38   and name  HN  ))
      3.214     1.494     1.607 peak   758 weight  1.00000E+00 volume  -2.55418E+04 ppm1      8.710 ppm2      8.881

 ASSI {  759}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 25   and name  HA  ))
      2.796     1.076     1.398 peak   759 weight  1.00000E+00 volume  -9.92840E+04 ppm1      8.714 ppm2      5.456

 ASSI {  764}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 26   and name  HB2 ))
      2.699     0.979     1.350 peak   764 weight  1.00000E+00 volume  -8.96486E+04 ppm1      8.712 ppm2      1.882

 ASSI {  765}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 24   and name  HN  ))
      2.717     0.997     1.358 peak   765 weight  1.00000E+00 volume  -1.28987E+05 ppm1      7.999 ppm2      9.096

 ASSI {  766}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 40   and name  HN  ))
      3.316     1.596     1.658 peak   766 weight  1.00000E+00 volume  -5.02953E+04 ppm1      7.997 ppm2      8.611

 ASSI {  768}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 24   and name  HA  ))
      2.744     1.024     1.372 peak   768 weight  1.00000E+00 volume  -8.88365E+04 ppm1      7.995 ppm2      4.760

 ASSI {  769}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 23   and name  HA  ))
      3.271     1.551     1.636 peak   769 weight  1.00000E+00 volume  -4.50410E+04 ppm1      8.001 ppm2      4.395

 ASSI {  771}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 22   and name  HA  ))
      3.117     1.397     1.559 peak   771 weight  1.00000E+00 volume  -7.69563E+05 ppm1      7.997 ppm2      3.981

 ASSI {  773}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 23   and name  HB  ))
      2.891     1.171     1.445 peak   773 weight  1.00000E+00 volume  -8.56222E+04 ppm1      7.995 ppm2      1.918

 ASSI {  775}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 40   and name  HB2 ))
      3.071     1.351     1.536 peak   775 weight  1.00000E+00 volume  -8.41767E+05 ppm1      7.997 ppm2      1.589

 ASSI {  778}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 24   and name  HN  ))
      3.186     1.466     1.593 peak   778 weight  1.00000E+00 volume  -6.75534E+05 ppm1      9.092 ppm2      7.996

 ASSI {  780}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 23   and name  HA  ))
      3.474     1.737     1.737 peak   780 weight  1.00000E+00 volume  -4.01668E+05 ppm1      9.105 ppm2      4.407

 ASSI {  781}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 22   and name  HA  ))
      2.986     1.266     1.493 peak   781 weight  1.00000E+00 volume  -6.51112E+04 ppm1      9.095 ppm2      3.970

 ASSI {  782}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 23   and name  HB  ))
      3.344     1.624     1.672 peak   782 weight  1.00000E+00 volume  -3.39537E+04 ppm1      9.090 ppm2      1.923

 ASSI {  783}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 23   and name  HG12))
      3.249     1.529     1.624 peak   783 weight  1.00000E+00 volume  -3.15097E+04 ppm1      9.087 ppm2      1.261

 ASSI {  784}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 23   and name  HG11))
      3.244     1.524     1.622 peak   784 weight  1.00000E+00 volume  -3.91360E+04 ppm1      9.092 ppm2      1.373

 ASSI {  785}
   (( segid "   A" and resid 23   and name  HN  ))
   (  segid "   A" and resid 23   and name  HG2#)
      2.966     1.246     1.483 peak   785 weight  1.00000E+00 volume  -5.92917E+04 ppm1      9.089 ppm2      0.722

 ASSI {  787}
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 22   and name  HN  ))
      5.072     2.536     2.536 peak   787 weight  1.00000E+00 volume  -1.61653E+04 ppm1      8.910 ppm2      7.138

 ASSI {  789}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 21   and name  HA  ))
      2.835     1.115     1.418 peak   789 weight  1.00000E+00 volume  -9.60070E+04 ppm1      8.906 ppm2      5.229

 ASSI {  790}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 22   and name  HA  ))
      3.455     1.728     1.728 peak   790 weight  1.00000E+00 volume  -4.14849E+05 ppm1      8.914 ppm2      3.981

 ASSI {  791}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 22   and name  HB  ))
      3.090     1.370     1.545 peak   791 weight  1.00000E+00 volume  -8.10994E+05 ppm1      8.912 ppm2      2.166

 ASSI {  792}
   (( segid "   A" and resid 22   and name  HN  ))
   (  segid "   A" and resid 22   and name  HG1#)
      2.891     1.171     1.445 peak   792 weight  1.00000E+00 volume  -1.21002E+06 ppm1      8.907 ppm2      0.707

 ASSI {  793}
   (( segid "   A" and resid 22   and name  HN  ))
   (  segid "   A" and resid 22   and name  HG2#)
      2.843     1.123     1.422 peak   793 weight  1.00000E+00 volume  -1.33639E+06 ppm1      8.910 ppm2      0.334

 ASSI {  794}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 20   and name  HA  ))
      2.954     1.234     1.477 peak   794 weight  1.00000E+00 volume  -1.06327E+06 ppm1      9.270 ppm2      5.544

 ASSI {  796}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 21   and name  HA  ))
      3.390     1.670     1.695 peak   796 weight  1.00000E+00 volume  -4.65175E+05 ppm1      9.268 ppm2      5.233

 ASSI {  798}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 21   and name  HB2 ))
      2.874     1.154     1.437 peak   798 weight  1.00000E+00 volume  -7.43220E+04 ppm1      9.274 ppm2      1.563

 ASSI {  799}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 21   and name  HB1 ))
      3.022     1.302     1.511 peak   799 weight  1.00000E+00 volume  -5.24592E+04 ppm1      9.272 ppm2      1.677

 ASSI {  801}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 20   and name  HD1 ))
      3.323     1.603     1.661 peak   801 weight  1.00000E+00 volume  -5.24702E+05 ppm1      8.960 ppm2      7.092

 ASSI {  804}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 19   and name  HA  ))
      2.771     1.051     1.386 peak   804 weight  1.00000E+00 volume  -1.55928E+06 ppm1      8.956 ppm2      5.100

 ASSI {  806}
   (( segid "   A" and resid 19   and name  HN  ))
   (( segid "   A" and resid 19   and name  HA  ))
      3.508     1.754     1.754 peak   806 weight  1.00000E+00 volume  -3.78812E+05 ppm1      7.546 ppm2      5.101

 ASSI {  807}
   (( segid "   A" and resid 19   and name  HN  ))
   (( segid "   A" and resid 18   and name  HA  ))
      2.588     0.868     1.294 peak   807 weight  1.00000E+00 volume  -1.62046E+05 ppm1      7.541 ppm2      4.482

 ASSI {  808}
   (( segid "   A" and resid 19   and name  HN  ))
   (  segid "   A" and resid 18   and name  HB# )
      2.431     0.711     1.216 peak   808 weight  1.00000E+00 volume  -2.36539E+05 ppm1      7.539 ppm2      1.132

 ASSI {  809}
   (( segid "   A" and resid 19   and name  HN  ))
   (  segid "   A" and resid 19   and name  HD1#)
      2.905     1.185     1.453 peak   809 weight  1.00000E+00 volume  -8.30560E+04 ppm1      7.543 ppm2      0.715

 ASSI {  812}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 20   and name  HE1 ))
      3.378     1.658     1.689 peak   812 weight  1.00000E+00 volume  -3.79869E+04 ppm1      7.871 ppm2     10.170

 ASSI {  813}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 18   and name  HN  ))
      3.171     1.451     1.585 peak   813 weight  1.00000E+00 volume  -5.66367E+04 ppm1      7.871 ppm2      8.636

 ASSI {  814}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 19   and name  HN  ))
      3.968     1.984     1.984 peak   814 weight  1.00000E+00 volume  -2.48796E+04 ppm1      7.872 ppm2      7.544

 ASSI {  817}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 18   and name  HA  ))
      2.623     0.903     1.311 peak   817 weight  1.00000E+00 volume  -1.53394E+05 ppm1      7.872 ppm2      4.475

 ASSI {  818}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 17   and name  HA  ))
      2.940     1.220     1.470 peak   818 weight  1.00000E+00 volume  -8.51148E+04 ppm1      7.876 ppm2      4.294

 ASSI {  819}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 17   and name  HB2 ))
      3.505     1.753     1.753 peak   819 weight  1.00000E+00 volume  -2.87768E+04 ppm1      7.874 ppm2      3.099

 ASSI {  820}
   (( segid "   A" and resid 18   and name  HN  ))
   (  segid "   A" and resid 18   and name  HB# )
      2.550     0.830     1.275 peak   820 weight  1.00000E+00 volume  -1.97856E+05 ppm1      7.881 ppm2      1.129

 ASSI {  822}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 20   and name  HE1 ))
      3.796     1.898     1.898 peak   822 weight  1.00000E+00 volume  -2.36186E+05 ppm1      8.631 ppm2     10.164

 ASSI {  824}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 18   and name  HN  ))
      3.838     1.919     1.919 peak   824 weight  1.00000E+00 volume  -2.20904E+05 ppm1      8.635 ppm2      7.887

 ASSI {  825}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 20   and name  HD1 ))
      3.049     1.329     1.524 peak   825 weight  1.00000E+00 volume  -7.27713E+04 ppm1      8.630 ppm2      7.109

 ASSI {  826}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 14   and name  HA  ))
      2.602     0.882     1.301 peak   826 weight  1.00000E+00 volume  -1.68527E+05 ppm1      8.630 ppm2      5.597

 ASSI {  827}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 19   and name  HA  ))
      3.303     1.583     1.651 peak   827 weight  1.00000E+00 volume  -4.64912E+04 ppm1      8.630 ppm2      5.095

 ASSI {  828}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 15   and name  HA  ))
      3.106     1.386     1.553 peak   828 weight  1.00000E+00 volume  -6.07212E+04 ppm1      8.633 ppm2      4.502

 ASSI {  831}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 15   and name  HB  ))
      3.651     1.825     1.825 peak   831 weight  1.00000E+00 volume  -2.27326E+04 ppm1      8.638 ppm2      2.109

 ASSI {  834}
   (( segid "   A" and resid 15   and name  HN  ))
   (  segid "   A" and resid 18   and name  HB# )
      3.791     1.896     1.896 peak   834 weight  1.00000E+00 volume  -2.36702E+04 ppm1      8.634 ppm2      1.142

 ASSI {  835}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 14   and name  HB2 ))
      3.870     1.935     1.935 peak   835 weight  1.00000E+00 volume  -1.77469E+04 ppm1      8.630 ppm2      3.488

 ASSI {  838}
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 13   and name  HA  ))
      2.772     1.052     1.386 peak   838 weight  1.00000E+00 volume  -1.10602E+05 ppm1      8.830 ppm2      5.027

 ASSI {  840}
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 14   and name  HB1 ))
      3.120     1.400     1.560 peak   840 weight  1.00000E+00 volume  -5.42063E+04 ppm1      8.828 ppm2      3.696

 ASSI {  841}
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 14   and name  HB2 ))
      3.305     1.585     1.652 peak   841 weight  1.00000E+00 volume  -4.90191E+04 ppm1      8.832 ppm2      3.484

 ASSI {  843}
   (( segid "   A" and resid 14   and name  HN  ))
   (  segid "   A" and resid 13   and name  HD1#)
      3.053     1.333     1.527 peak   843 weight  1.00000E+00 volume  -5.88763E+04 ppm1      8.823 ppm2      0.478

 ASSI {  844}
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 12   and name  HA  ))
      3.511     1.756     1.756 peak   844 weight  1.00000E+00 volume  -2.97520E+04 ppm1      7.975 ppm2      5.646

 ASSI {  846}
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 11   and name  HA  ))
      2.415     0.695     1.207 peak   846 weight  1.00000E+00 volume  -2.78641E+05 ppm1      7.969 ppm2      4.231

 ASSI {  847}
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 12   and name  HB  ))
      3.704     1.852     1.852 peak   847 weight  1.00000E+00 volume  -2.73260E+05 ppm1      7.969 ppm2      3.959

 ASSI {  848}
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 11   and name  HB2 ))
      2.750     1.030     1.375 peak   848 weight  1.00000E+00 volume  -1.01710E+05 ppm1      7.966 ppm2      1.408

 ASSI {  852}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 11   and name  HN  ))
      3.652     1.826     1.826 peak   852 weight  1.00000E+00 volume  -2.97651E+05 ppm1      7.140 ppm2      9.187

 ASSI {  854}
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 10   and name  HA2 ))
      3.298     1.578     1.649 peak   854 weight  1.00000E+00 volume  -5.49088E+05 ppm1      7.140 ppm2      4.436

 ASSI {  855}
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 11   and name  HA  ))
      2.958     1.238     1.479 peak   855 weight  1.00000E+00 volume  -1.05501E+06 ppm1      7.146 ppm2      4.227

 ASSI {  856}
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 10   and name  HA1 ))
      3.541     1.771     1.771 peak   856 weight  1.00000E+00 volume  -3.58167E+05 ppm1      7.140 ppm2      3.810

 ASSI {  858}
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 22   and name  HB  ))
      3.058     1.338     1.529 peak   858 weight  1.00000E+00 volume  -8.63447E+05 ppm1      7.142 ppm2      2.170

 ASSI {  859}
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 11   and name  HB2 ))
      2.400     0.680     1.200 peak   859 weight  1.00000E+00 volume  -3.69666E+06 ppm1      7.144 ppm2      1.388

 ASSI {  860}
   (( segid "   A" and resid 11   and name  HN  ))
   (  segid "   A" and resid 22   and name  HG2#)
      3.254     1.534     1.627 peak   860 weight  1.00000E+00 volume  -5.95311E+05 ppm1      7.146 ppm2      0.330

 ASSI {  861}
   (( segid "   A" and resid 11   and name  HN  ))
   (  segid "   A" and resid 22   and name  HG1#)
      3.156     1.436     1.578 peak   861 weight  1.00000E+00 volume  -7.14404E+05 ppm1      7.140 ppm2      0.706

 ASSI {  862}
   (( segid "   A" and resid 10   and name  HN  ))
   (  segid "   A" and resid 22   and name  HG1#)
      3.544     1.772     1.772 peak   862 weight  1.00000E+00 volume  -3.56379E+05 ppm1      9.184 ppm2      0.700

 ASSI {  863}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 11   and name  HB2 ))
      3.529     1.764     1.764 peak   863 weight  1.00000E+00 volume  -2.73825E+04 ppm1      9.184 ppm2      1.371

 ASSI {  865}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 11   and name  HN  ))
      3.716     1.858     1.858 peak   865 weight  1.00000E+00 volume  -2.06616E+04 ppm1      9.184 ppm2      7.149

 ASSI {  866}
   (( segid "   A" and resid 8    and name  HN  ))
   (( segid "   A" and resid 7    and name  HN  ))
      3.854     1.927     1.927 peak   866 weight  1.00000E+00 volume  -1.17016E+04 ppm1      6.133 ppm2      7.069

 ASSI {  868}
   (( segid "   A" and resid 8    and name  HN  ))
   (( segid "   A" and resid 8    and name  HA  ))
      3.254     1.534     1.627 peak   868 weight  1.00000E+00 volume  -4.07804E+04 ppm1      6.129 ppm2      4.668

 ASSI {  869}
   (( segid "   A" and resid 8    and name  HN  ))
   (( segid "   A" and resid 7    and name  HA  ))
      2.517     0.797     1.258 peak   869 weight  1.00000E+00 volume  -2.77953E+06 ppm1      6.131 ppm2      3.792

 ASSI {  870}
   (( segid "   A" and resid 8    and name  HN  ))
   (( segid "   A" and resid 7    and name  HB2 ))
      3.439     1.719     1.720 peak   870 weight  1.00000E+00 volume  -4.26872E+05 ppm1      6.127 ppm2      2.423

 ASSI {  872}
   (( segid "   A" and resid 11   and name  HB2 ))
   (( segid "   A" and resid 8    and name  HN  ))
      2.802     1.082     1.401 peak   872 weight  1.00000E+00 volume  -1.45788E+06 ppm1      6.129 ppm2      1.403

 ASSI {  875}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 7    and name  HN  ))
      3.031     1.311     1.516 peak   875 weight  1.00000E+00 volume  -7.39870E+04 ppm1      7.066 ppm2      7.936

 ASSI {  876}
   (( segid "   A" and resid 7    and name  HN  ))
   (  segid "   A" and resid 7    and name  HE# )
      3.261     1.541     1.630 peak   876 weight  1.00000E+00 volume  -4.54150E+04 ppm1      7.065 ppm2      6.554

 ASSI {  877}
   (( segid "   A" and resid 8    and name  HN  ))
   (( segid "   A" and resid 7    and name  HN  ))
      3.697     1.849     1.849 peak   877 weight  1.00000E+00 volume  -2.33515E+04 ppm1      7.065 ppm2      6.137

 ASSI {  878}
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 6    and name  HA  ))
      2.858     1.138     1.429 peak   878 weight  1.00000E+00 volume  -7.49058E+04 ppm1      7.065 ppm2      4.723

 ASSI {  879}
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 7    and name  HA  ))
      2.908     1.188     1.454 peak   879 weight  1.00000E+00 volume  -8.82597E+04 ppm1      7.066 ppm2      3.790

 ASSI {  881}
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 7    and name  HB2 ))
      2.648     0.928     1.324 peak   881 weight  1.00000E+00 volume  -1.39812E+05 ppm1      7.063 ppm2      2.412

 ASSI {  883}
   (  segid "   A" and resid 37   and name  HG1#)
   (( segid "   A" and resid 7    and name  HN  ))
      3.404     1.684     1.702 peak   883 weight  1.00000E+00 volume  -2.86644E+04 ppm1      7.065 ppm2      0.596

 ASSI {  884}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 3    and name  HN  ))
      3.555     1.777     1.777 peak   884 weight  1.00000E+00 volume  -2.30669E+04 ppm1      7.931 ppm2      8.912

 ASSI {  885}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 7    and name  HN  ))
      3.247     1.527     1.623 peak   885 weight  1.00000E+00 volume  -5.65105E+04 ppm1      7.937 ppm2      7.065

 ASSI {  891}
   (( segid "   A" and resid 4    and name  HN  ))
   (  segid "   A" and resid 4    and name  HG1#)
      3.811     1.906     1.906 peak   891 weight  1.00000E+00 volume  -2.30491E+05 ppm1      8.335 ppm2      0.692

 ASSI {  892}
   (( segid "   A" and resid 4    and name  HN  ))
   (  segid "   A" and resid 4    and name  HG2#)
      3.648     1.824     1.824 peak   892 weight  1.00000E+00 volume  -2.99866E+05 ppm1      8.345 ppm2      0.229

 ASSI {  899}
   (( segid "   A" and resid 63   and name  HN  ))
   (( segid "   A" and resid 63   and name  HA  ))
      2.447     0.727     1.223 peak   899 weight  1.00000E+00 volume  -3.29105E+06 ppm1      7.828 ppm2      4.605

 ASSI {  900}
   (( segid "   A" and resid 13   and name  HA  ))
   (( segid "   A" and resid 63   and name  HN  ))
      2.834     1.114     1.417 peak   900 weight  1.00000E+00 volume  -9.56101E+04 ppm1      7.825 ppm2      5.023

 ASSI {  901}
   (( segid "   A" and resid 63   and name  HN  ))
   (( segid "   A" and resid 62   and name  HB2 ))
      3.222     1.502     1.611 peak   901 weight  1.00000E+00 volume  -3.69969E+04 ppm1      7.824 ppm2      1.939

 ASSI {  902}
   (( segid "   A" and resid 63   and name  HN  ))
   (( segid "   A" and resid 62   and name  HB1 ))
      3.268     1.548     1.634 peak   902 weight  1.00000E+00 volume  -3.10216E+04 ppm1      7.829 ppm2      2.229

 ASSI {  906}
   (( segid "   A" and resid 87   and name  HN  ))
   (( segid "   A" and resid 87   and name  HA  ))
      3.161     1.441     1.581 peak   906 weight  1.00000E+00 volume  -7.07537E+05 ppm1      8.065 ppm2      4.320

 ASSI {  908}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 6    and name  HB2 ))
      3.247     1.527     1.624 peak   908 weight  1.00000E+00 volume  -6.02351E+05 ppm1      7.932 ppm2      2.917

 ASSI {  911}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 22   and name  HB  ))
      3.920     1.960     1.960 peak   911 weight  1.00000E+00 volume  -1.94609E+05 ppm1      9.186 ppm2      2.166

 ASSI {  913}
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 63   and name  HN  ))
      3.970     1.985     1.985 peak   913 weight  1.00000E+00 volume  -1.80338E+05 ppm1      8.819 ppm2      7.825

 ASSI {  914}
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 14   and name  HA  ))
      3.627     1.813     1.813 peak   914 weight  1.00000E+00 volume  -3.10468E+05 ppm1      8.824 ppm2      5.600

 ASSI {  917}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 15   and name  HN  ))
      3.499     1.749     1.749 peak   917 weight  1.00000E+00 volume  -3.84902E+05 ppm1      8.623 ppm2      8.970

 ASSI {  919}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 14   and name  HA  ))
      4.802     2.401     2.401 peak   919 weight  1.00000E+00 volume  -5.75875E+04 ppm1      7.878 ppm2      5.603

 ASSI {  920}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 20   and name  HD1 ))
      5.629     2.815     2.371 peak   920 weight  1.00000E+00 volume  -2.21899E+04 ppm1      7.875 ppm2      7.115

 ASSI {  923}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 20   and name  HE1 ))
      3.200     1.480     1.600 peak   923 weight  1.00000E+00 volume  -6.57275E+05 ppm1     10.163 ppm2      8.636

 ASSI {  924}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 20   and name  HE1 ))
      3.972     1.986     1.986 peak   924 weight  1.00000E+00 volume  -1.18015E+04 ppm1     10.155 ppm2      7.878

 ASSI {  926}
   (( segid "   A" and resid 20   and name  HE1 ))
   (( segid "   A" and resid 20   and name  HD1 ))
      2.696     0.976     1.348 peak   926 weight  1.00000E+00 volume  -1.17942E+05 ppm1     10.161 ppm2      7.110

 ASSI {  929}
   (  segid "   A" and resid 18   and name  HB# )
   (( segid "   A" and resid 20   and name  HE1 ))
      2.815     1.095     1.408 peak   929 weight  1.00000E+00 volume  -9.20042E+04 ppm1     10.155 ppm2      1.120

 ASSI {  933}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 12   and name  HA  ))
      4.047     2.024     2.024 peak   933 weight  1.00000E+00 volume  -2.04058E+04 ppm1      8.912 ppm2      5.638

 ASSI {  935}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 41   and name  HB2 ))
      3.596     1.798     1.798 peak   935 weight  1.00000E+00 volume  -1.83164E+04 ppm1      9.094 ppm2      1.586

 ASSI {  939}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 24   and name  HB2 ))
      3.487     1.743     1.743 peak   939 weight  1.00000E+00 volume  -3.24858E+04 ppm1      7.999 ppm2      2.800

 ASSI {  941}
   (( segid "   A" and resid 36   and name  HN  ))
   (( segid "   A" and resid 28   and name  HN  ))
      3.486     1.743     1.743 peak   941 weight  1.00000E+00 volume  -2.08915E+04 ppm1      8.636 ppm2      8.843

 ASSI {  942}
   (( segid "   A" and resid 36   and name  HN  ))
   (  segid "   A" and resid 36   and name  HD# )
      3.295     1.575     1.647 peak   942 weight  1.00000E+00 volume  -3.93851E+04 ppm1      8.639 ppm2      7.075

 ASSI {  943}
   (( segid "   A" and resid 36   and name  HN  ))
   (( segid "   A" and resid 36   and name  HA  ))
      3.373     1.653     1.686 peak   943 weight  1.00000E+00 volume  -3.87024E+04 ppm1      8.635 ppm2      5.170

 ASSI {  944}
   (( segid "   A" and resid 36   and name  HN  ))
   (( segid "   A" and resid 35   and name  HA  ))
      2.362     0.642     1.181 peak   944 weight  1.00000E+00 volume  -4.06340E+06 ppm1      8.637 ppm2      4.736

 ASSI {  952}
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 46   and name  HA  ))
      3.457     1.729     1.729 peak   952 weight  1.00000E+00 volume  -2.26029E+04 ppm1      8.313 ppm2      4.436

 ASSI {  954}
   (  segid "   A" and resid 48   and name  HB# )
   (( segid "   A" and resid 47   and name  HN  ))
      3.641     1.820     1.820 peak   954 weight  1.00000E+00 volume  -2.06978E+04 ppm1      8.312 ppm2      1.401

 ASSI {  955}
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 46   and name  HN  ))
      3.623     1.812     1.812 peak   955 weight  1.00000E+00 volume  -3.12221E+05 ppm1      7.527 ppm2      7.323

 ASSI {  958}
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 63   and name  HN  ))
      3.917     1.958     1.958 peak   958 weight  1.00000E+00 volume  -1.95542E+05 ppm1      7.828 ppm2      8.838

 ASSI {  963}
   (( segid "   A" and resid 72   and name  HN  ))
   (( segid "   A" and resid 110  and name  HA  ))
      3.094     1.374     1.547 peak   963 weight  1.00000E+00 volume  -5.01087E+04 ppm1      9.122 ppm2      5.082

 ASSI {  968}
   (( segid "   A" and resid 88   and name  HN  ))
   (( segid "   A" and resid 86   and name  HN  ))
      4.185     2.092     2.092 peak   968 weight  1.00000E+00 volume  -7.61148E+03 ppm1      7.934 ppm2      8.708

 ASSI {  971}
   (  segid "   A" and resid 98   and name  HD1#)
   (( segid "   A" and resid 97   and name  HN  ))
      3.704     1.852     1.852 peak   971 weight  1.00000E+00 volume  -1.66465E+04 ppm1      7.875 ppm2      0.666

 ASSI {  972}
   (( segid "   A" and resid 97   and name  HN  ))
   (( segid "   A" and resid 96   and name  HB2 ))
      3.345     1.625     1.673 peak   972 weight  1.00000E+00 volume  -3.66732E+04 ppm1      7.875 ppm2      2.500

 ASSI {  974}
   (( segid "   A" and resid 97   and name  HN  ))
   (( segid "   A" and resid 94   and name  HB2 ))
      3.524     1.762     1.762 peak   974 weight  1.00000E+00 volume  -2.31836E+04 ppm1      7.880 ppm2      4.065

 ASSI {  980}
   (( segid "   A" and resid 104  and name  HN  ))
   (( segid "   A" and resid 102  and name  HN  ))
      6.385     3.192     1.615 peak   980 weight  1.00000E+00 volume  1.78356E+03 ppm1      7.328 ppm2      7.932

 ASSI {  982}
   (( segid "   A" and resid 107  and name  HN  ))
   (( segid "   A" and resid 106  and name  HB2 ))
      3.303     1.583     1.651 peak   982 weight  1.00000E+00 volume  -3.12971E+04 ppm1      9.094 ppm2      1.732

 ASSI {  986}
   (( segid "   A" and resid 109  and name  HN  ))
   (( segid "   A" and resid 108  and name  HA2 ))
      3.056     1.336     1.528 peak   986 weight  1.00000E+00 volume  -8.67797E+05 ppm1      8.113 ppm2      4.428

 ASSI {  989}
   (( segid "   A" and resid 116  and name  HN  ))
   (( segid "   A" and resid 119  and name  HN  ))
      3.769     1.885     1.885 peak   989 weight  1.00000E+00 volume  -2.46311E+05 ppm1      8.852 ppm2      7.956

 ASSI {  990}
   (( segid "   A" and resid 116  and name  HN  ))
   (( segid "   A" and resid 116  and name  HA  ))
      3.584     1.792     1.792 peak   990 weight  1.00000E+00 volume  -3.33205E+05 ppm1      8.854 ppm2      4.894

 ASSI {  992}
   (( segid "   A" and resid 119  and name  HN  ))
   (( segid "   A" and resid 115  and name  HB  ))
      3.953     1.976     1.976 peak   992 weight  1.00000E+00 volume  -1.85224E+05 ppm1      7.952 ppm2      3.710

 ASSI {  996}
   (( segid "   A" and resid 124  and name  HN  ))
   (  segid "   A" and resid 123  and name  HG1#)
      2.919     1.199     1.459 peak   996 weight  1.00000E+00 volume  -8.38726E+04 ppm1      9.184 ppm2      0.539

 ASSI {  997}
   (( segid "   A" and resid 124  and name  HN  ))
   (( segid "   A" and resid 123  and name  HA  ))
      2.355     0.635     1.177 peak   997 weight  1.00000E+00 volume  -2.24855E+05 ppm1      9.189 ppm2      4.676

 ASSI {  998}
   (( segid "   A" and resid 125  and name  HN  ))
   (( segid "   A" and resid 124  and name  HA  ))
      2.663     0.943     1.332 peak   998 weight  1.00000E+00 volume  -1.97895E+06 ppm1      8.809 ppm2      4.633

 ASSI { 1000}
   (( segid "   A" and resid 128  and name  HB  ))
   (( segid "   A" and resid 128  and name  HN  ))
      4.208     2.104     2.104 peak  1000 weight  1.00000E+00 volume  -1.27130E+05 ppm1      7.412 ppm2      3.948

 ASSI { 1002}
   (( segid "   A" and resid 176  and name  HN  ))
   (( segid "   A" and resid 129  and name  HN  ))
      3.848     1.924     1.924 peak  1002 weight  1.00000E+00 volume  -2.17705E+05 ppm1      8.523 ppm2      8.294

 ASSI { 1009}
   (( segid "   A" and resid 152  and name  HN  ))
   (( segid "   A" and resid 160  and name  HN  ))
      3.575     1.787     1.787 peak  1009 weight  1.00000E+00 volume  -3.38414E+05 ppm1      9.187 ppm2      8.886

 ASSI { 1010}
   (( segid "   A" and resid 152  and name  HN  ))
   (  segid "   A" and resid 162  and name  HG1#)
      3.077     1.357     1.539 peak  1010 weight  1.00000E+00 volume  -8.31607E+05 ppm1      9.189 ppm2      0.539

 ASSI { 1016}
   (( segid "   A" and resid 156  and name  HN  ))
   (( segid "   A" and resid 155  and name  HN  ))
      3.961     1.981     1.981 peak  1016 weight  1.00000E+00 volume  -1.82798E+05 ppm1      6.730 ppm2      8.385

 ASSI { 1017}
   (( segid "   A" and resid 158  and name  HN  ))
   (( segid "   A" and resid 156  and name  HN  ))
      4.097     2.048     2.048 peak  1017 weight  1.00000E+00 volume  -1.49417E+05 ppm1      6.720 ppm2      7.052

 ASSI { 1019}
   (( segid "   A" and resid 156  and name  HN  ))
   (( segid "   A" and resid 155  and name  HA  ))
      3.743     1.872     1.872 peak  1019 weight  1.00000E+00 volume  -2.56640E+05 ppm1      6.728 ppm2      4.277

 ASSI { 1023}
   (( segid "   A" and resid 162  and name  HN  ))
   (( segid "   A" and resid 149  and name  HB  ))
      3.963     1.982     1.982 peak  1023 weight  1.00000E+00 volume  -1.82235E+05 ppm1      9.282 ppm2      3.925

 ASSI { 1026}
   (( segid "   A" and resid 166  and name  HN  ))
   (( segid "   A" and resid 164  and name  HN  ))
      4.850     2.425     2.425 peak  1026 weight  1.00000E+00 volume  -5.42828E+04 ppm1      6.730 ppm2      7.793

 ASSI { 1028}
   (( segid "   A" and resid 166  and name  HN  ))
   (( segid "   A" and resid 165  and name  HN  ))
      4.226     2.113     2.113 peak  1028 weight  1.00000E+00 volume  -1.23987E+05 ppm1      6.734 ppm2      6.476

 ASSI { 1029}
   (( segid "   A" and resid 174  and name  HN  ))
   (( segid "   A" and resid 128  and name  HA  ))
      3.586     1.793     1.793 peak  1029 weight  1.00000E+00 volume  -3.32100E+05 ppm1      8.978 ppm2      5.451

 ASSI { 1030}
   (( segid "   A" and resid 176  and name  HN  ))
   (( segid "   A" and resid 129  and name  HN  ))
      3.717     1.858     1.858 peak  1030 weight  1.00000E+00 volume  -2.67895E+05 ppm1      8.276 ppm2      8.500

 ASSI { 1031}
   (( segid "   A" and resid 176  and name  HN  ))
   (( segid "   A" and resid 175  and name  HA  ))
      2.712     0.992     1.356 peak  1031 weight  1.00000E+00 volume  -1.04481E+05 ppm1      8.280 ppm2      4.805

 ASSI { 1033}
   (( segid "   A" and resid 176  and name  HN  ))
   (  segid "   A" and resid 128  and name  HG2#)
      3.256     1.536     1.628 peak  1033 weight  1.00000E+00 volume  -4.27938E+04 ppm1      8.280 ppm2      0.958

 ASSI { 1034}
   (( segid "   A" and resid 113  and name  HN  ))
   (( segid "   A" and resid 113  and name  HB  ))
      2.907     1.187     1.454 peak  1034 weight  1.00000E+00 volume  -7.48447E+04 ppm1      9.082 ppm2      1.657

 ASSI { 1035}
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 37   and name  HB  ))
      3.053     1.333     1.526 peak  1035 weight  1.00000E+00 volume  -8.72523E+05 ppm1      9.307 ppm2      1.663

 ASSI { 1036}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 12   and name  HA  ))
      2.889     1.169     1.444 peak  1036 weight  1.00000E+00 volume  -1.21544E+06 ppm1      9.073 ppm2      5.643

 ASSI { 1039}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 13   and name  HB  ))
      3.966     1.983     1.983 peak  1039 weight  1.00000E+00 volume  -1.81594E+05 ppm1      9.070 ppm2      1.769

 ASSI { 1040}
   (( segid "   A" and resid 13   and name  HN  ))
   (  segid "   A" and resid 13   and name  HD1#)
      3.123     1.403     1.561 peak  1040 weight  1.00000E+00 volume  -7.61497E+05 ppm1      9.072 ppm2      0.496

 ASSI { 1041}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 20   and name  HB2 ))
      4.076     2.038     2.038 peak  1041 weight  1.00000E+00 volume  -1.54016E+05 ppm1      8.959 ppm2      2.605

 ASSI { 1057}
   (( segid "   A" and resid 3    and name  HN  ))
   (( segid "   A" and resid 2    and name  HA  ))
      4.188     2.094     2.094 peak  1057 weight  1.00000E+00 volume  -1.30807E+05 ppm1      8.959 ppm2      4.347

 ASSI { 1062}
   (( segid "   A" and resid 4    and name  HN  ))
   (( segid "   A" and resid 5    and name  HA  ))
      3.947     1.973     1.973 peak  1062 weight  1.00000E+00 volume  -1.86790E+05 ppm1      8.338 ppm2      4.235

 ASSI { 1065}
   (( segid "   A" and resid 6    and name  HN  ))
   (  segid "   A" and resid 4    and name  HG1#)
      3.134     1.414     1.567 peak  1065 weight  1.00000E+00 volume  -7.45698E+05 ppm1      7.930 ppm2      0.713

 ASSI { 1076}
   (( segid "   A" and resid 8    and name  HA  ))
   (( segid "   A" and resid 9    and name  HN  ))
      3.753     1.876     1.876 peak  1076 weight  1.00000E+00 volume  -2.52944E+05 ppm1      8.917 ppm2      4.701

 ASSI { 1078}
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 22   and name  HN  ))
      4.721     2.360     2.360 peak  1078 weight  1.00000E+00 volume  -8.86624E+03 ppm1      7.149 ppm2      8.906

 ASSI { 1079}
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 12   and name  HN  ))
      5.151     2.576     2.576 peak  1079 weight  1.00000E+00 volume  -3.69276E+03 ppm1      7.143 ppm2      7.988

 ASSI { 1080}
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 8    and name  HN  ))
      4.640     2.320     2.320 peak  1080 weight  1.00000E+00 volume  7.30913E+03 ppm1      7.146 ppm2      6.105

 ASSI { 1086}
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 12   and name  HN  ))
      5.162     2.581     2.581 peak  1086 weight  1.00000E+00 volume  -3.73094E+04 ppm1      7.974 ppm2      7.147

 ASSI { 1087}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 21   and name  HA  ))
      3.409     1.689     1.705 peak  1087 weight  1.00000E+00 volume  -1.28948E+04 ppm1      9.086 ppm2      5.211

 ASSI { 1088}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 19   and name  HA  ))
      3.107     1.387     1.554 peak  1088 weight  1.00000E+00 volume  -3.65577E+04 ppm1      9.084 ppm2      5.091

 ASSI { 1090}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 12   and name  HB  ))
      3.307     1.587     1.653 peak  1090 weight  1.00000E+00 volume  -5.40069E+05 ppm1      9.091 ppm2      3.948

 ASSI { 1096}
   (( segid "   A" and resid 14   and name  HN  ))
   (  segid "   A" and resid 63   and name  HB# )
      3.298     1.578     1.649 peak  1096 weight  1.00000E+00 volume  -5.48949E+05 ppm1      8.829 ppm2      0.849

 ASSI { 1098}
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 13   and name  HB  ))
      2.892     1.172     1.446 peak  1098 weight  1.00000E+00 volume  -8.75383E+04 ppm1      8.827 ppm2      1.768

 ASSI { 1101}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 14   and name  HB1 ))
      4.729     2.365     2.365 peak  1101 weight  1.00000E+00 volume  -1.36920E+04 ppm1      8.630 ppm2      3.707

 ASSI { 1103}
   (( segid "   A" and resid 62   and name  HB2 ))
   (( segid "   A" and resid 2    and name  HN  ))
      4.052     2.026     2.026 peak  1103 weight  1.00000E+00 volume  -2.18407E+03 ppm1      9.002 ppm2      1.936

 ASSI { 1104}
   (( segid "   A" and resid 2    and name  HB  ))
   (( segid "   A" and resid 2    and name  HN  ))
      4.238     2.119     2.119 peak  1104 weight  1.00000E+00 volume  1.50996E+02 ppm1      9.002 ppm2      1.731

 ASSI { 1105}
   (( segid "   A" and resid 3    and name  HN  ))
   (( segid "   A" and resid 2    and name  HB  ))
      4.016     2.008     2.008 peak  1105 weight  1.00000E+00 volume  -1.16229E+04 ppm1      8.956 ppm2      1.733

 ASSI { 1106}
   (( segid "   A" and resid 3    and name  HN  ))
   (( segid "   A" and resid 2    and name  HN  ))
      3.076     1.356     1.538 peak  1106 weight  1.00000E+00 volume  -2.83156E+04 ppm1      8.954 ppm2      9.004

 ASSI { 1107}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 3    and name  HN  ))
      6.336     3.168     1.664 peak  1107 weight  1.00000E+00 volume  1.09176E+04 ppm1      8.954 ppm2      7.930

 ASSI { 1108}
   (( segid "   A" and resid 3    and name  HN  ))
   (( segid "   A" and resid 6    and name  HB2 ))
      4.743     2.371     2.371 peak  1108 weight  1.00000E+00 volume  -6.20546E+04 ppm1      8.968 ppm2      2.892

 ASSI { 1109}
   (( segid "   A" and resid 4    and name  HN  ))
   (( segid "   A" and resid 4    and name  HA  ))
      4.447     2.224     2.224 peak  1109 weight  1.00000E+00 volume  -9.13044E+04 ppm1      8.336 ppm2      4.434

 ASSI { 1110}
   (( segid "   A" and resid 4    and name  HN  ))
   (( segid "   A" and resid 5    and name  HN  ))
      4.927     2.464     2.464 peak  1110 weight  1.00000E+00 volume  -4.69109E+03 ppm1      7.853 ppm2      8.315

 ASSI { 1112}
   (  segid "   A" and resid 56   and name  HB# )
   (( segid "   A" and resid 5    and name  HN  ))
      4.811     2.405     2.405 peak  1112 weight  1.00000E+00 volume  -5.69698E+04 ppm1      7.856 ppm2      1.300

 ASSI { 1113}
   (( segid "   A" and resid 6    and name  HN  ))
   (  segid "   A" and resid 37   and name  HG1#)
      4.384     2.192     2.192 peak  1113 weight  1.00000E+00 volume  -9.95117E+04 ppm1      7.932 ppm2      0.578

 ASSI { 1115}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 6    and name  HA  ))
      2.603     0.883     1.302 peak  1115 weight  1.00000E+00 volume  -2.27000E+06 ppm1      7.928 ppm2      4.757

 ASSI { 1116}
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 5    and name  HN  ))
      2.835     1.115     1.418 peak  1116 weight  1.00000E+00 volume  -1.47187E+04 ppm1      7.929 ppm2      7.856

 ASSI { 1119}
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 6    and name  HB2 ))
      5.080     2.540     2.540 peak  1119 weight  1.00000E+00 volume  -4.10809E+04 ppm1      7.062 ppm2      2.910

 ASSI { 1121}
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 7    and name  HB1 ))
      3.591     1.795     1.795 peak  1121 weight  1.00000E+00 volume  -3.29575E+05 ppm1      7.060 ppm2      2.318

 ASSI { 1122}
   (  segid "   A" and resid 22   and name  HG2#)
   (( segid "   A" and resid 8    and name  HN  ))
      6.530     3.265     1.470 peak  1122 weight  1.00000E+00 volume  -9.10901E+03 ppm1      6.125 ppm2      0.334

 ASSI { 1123}
   (  segid "   A" and resid 22   and name  HG1#)
   (( segid "   A" and resid 8    and name  HN  ))
      3.570     1.785     1.785 peak  1123 weight  1.00000E+00 volume  -1.20876E+04 ppm1      6.124 ppm2      0.702

 ASSI { 1125}
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 8    and name  HN  ))
      4.010     2.005     2.005 peak  1125 weight  1.00000E+00 volume  -1.09898E+04 ppm1      6.122 ppm2      7.151

 ASSI { 1126}
   (  segid "   A" and resid 22   and name  HG1#)
   (( segid "   A" and resid 9    and name  HN  ))
      5.004     2.502     2.502 peak  1126 weight  1.00000E+00 volume  -4.49583E+04 ppm1      8.922 ppm2      0.701

 ASSI { 1127}
   (( segid "   A" and resid 10   and name  HN  ))
   (  segid "   A" and resid 22   and name  HG2#)
      4.208     2.104     2.104 peak  1127 weight  1.00000E+00 volume  -9.50402E+03 ppm1      9.188 ppm2      0.332

 ASSI { 1129}
   (( segid "   A" and resid 10   and name  HN  ))
   (  segid "   A" and resid 9    and name  HG2#)
      3.952     1.976     1.976 peak  1129 weight  1.00000E+00 volume  -1.85473E+05 ppm1      9.187 ppm2      0.815

 ASSI { 1130}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 9    and name  HA  ))
      3.229     1.509     1.614 peak  1130 weight  1.00000E+00 volume  -6.23201E+05 ppm1      9.186 ppm2      3.766

 ASSI { 1131}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 9    and name  HB  ))
      3.923     1.961     1.961 peak  1131 weight  1.00000E+00 volume  -1.57249E+04 ppm1      9.187 ppm2      4.180

 ASSI { 1132}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 11   and name  HA  ))
      4.002     2.001     2.001 peak  1132 weight  1.00000E+00 volume  -1.40977E+04 ppm1      9.188 ppm2      4.228

 ASSI { 1133}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 23   and name  HA  ))
      3.650     1.825     1.825 peak  1133 weight  1.00000E+00 volume  -9.43268E+03 ppm1      9.188 ppm2      4.390

 ASSI { 1134}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 9    and name  HN  ))
      6.435     3.218     1.565 peak  1134 weight  1.00000E+00 volume  -9.94250E+03 ppm1      9.187 ppm2      8.915

 ASSI { 1135}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 22   and name  HN  ))
      6.435     3.218     1.565 peak  1135 weight  1.00000E+00 volume  -9.94250E+03 ppm1      9.187 ppm2      8.916

 ASSI { 1137}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 23   and name  HN  ))
      3.800     1.900     1.900 peak  1137 weight  1.00000E+00 volume  -2.34673E+05 ppm1      9.187 ppm2      9.090

 ASSI { 1138}
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 9    and name  HN  ))
      4.721     2.360     2.360 peak  1138 weight  1.00000E+00 volume  -6.37952E+04 ppm1      7.150 ppm2      8.915

 ASSI { 1140}
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 9    and name  HA  ))
      3.952     1.976     1.976 peak  1140 weight  1.00000E+00 volume  -1.03266E+04 ppm1      7.146 ppm2      3.766

 ASSI { 1141}
   (( segid "   A" and resid 11   and name  HN  ))
   (  segid "   A" and resid 9    and name  HG2#)
      3.345     1.625     1.672 peak  1141 weight  1.00000E+00 volume  -2.24872E+04 ppm1      7.151 ppm2      0.816

 ASSI { 1143}
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 12   and name  HN  ))
      4.801     2.400     2.400 peak  1143 weight  1.00000E+00 volume  -6.81368E+03 ppm1      7.971 ppm2      5.214

 ASSI { 1144}
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 63   and name  HN  ))
      3.750     1.875     1.875 peak  1144 weight  1.00000E+00 volume  -2.54117E+05 ppm1      7.974 ppm2      7.847

 ASSI { 1145}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 12   and name  HN  ))
      4.700     2.350     2.350 peak  1145 weight  1.00000E+00 volume  6.54836E+04 ppm1      7.975 ppm2      9.088

 ASSI { 1146}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 21   and name  HN  ))
      4.064     2.032     2.032 peak  1146 weight  1.00000E+00 volume  -6.18504E+03 ppm1      9.089 ppm2      9.275

 ASSI { 1147}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 20   and name  HN  ))
      3.180     1.460     1.590 peak  1147 weight  1.00000E+00 volume  -1.39327E+04 ppm1      9.089 ppm2      8.958

 ASSI { 1148}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 22   and name  HN  ))
      4.263     2.132     2.132 peak  1148 weight  1.00000E+00 volume  6.60859E+01 ppm1      9.090 ppm2      8.916

 ASSI { 1149}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 14   and name  HN  ))
      4.164     2.082     2.082 peak  1149 weight  1.00000E+00 volume  4.12027E+03 ppm1      9.090 ppm2      8.830

 ASSI { 1150}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 14   and name  HA  ))
      3.288     1.568     1.644 peak  1150 weight  1.00000E+00 volume  -2.78572E+04 ppm1      9.090 ppm2      5.600

 ASSI { 1151}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 20   and name  HA  ))
      4.601     2.301     2.301 peak  1151 weight  1.00000E+00 volume  5.29138E+03 ppm1      9.090 ppm2      5.547

 ASSI { 1152}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 13   and name  HA  ))
      3.314     1.594     1.657 peak  1152 weight  1.00000E+00 volume  -1.50334E+04 ppm1      9.090 ppm2      5.036

 ASSI { 1154}
   (( segid "   A" and resid 13   and name  HN  ))
   (  segid "   A" and resid 63   and name  HB# )
      2.836     1.116     1.418 peak  1154 weight  1.00000E+00 volume  -1.35666E+06 ppm1      9.089 ppm2      0.849

 ASSI { 1156}
   (( segid "   A" and resid 13   and name  HN  ))
   (  segid "   A" and resid 22   and name  HG2#)
      4.951     2.476     2.476 peak  1156 weight  1.00000E+00 volume  4.79288E+04 ppm1      9.089 ppm2      0.332

 ASSI { 1158}
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 62   and name  HA  ))
      3.148     1.428     1.574 peak  1158 weight  1.00000E+00 volume  -7.25507E+05 ppm1      8.830 ppm2      4.603

 ASSI { 1160}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 14   and name  HN  ))
      3.911     1.956     1.956 peak  1160 weight  1.00000E+00 volume  -1.08481E+04 ppm1      8.829 ppm2      8.630

 ASSI { 1161}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 14   and name  HN  ))
      3.663     1.832     1.832 peak  1161 weight  1.00000E+00 volume  -2.92258E+05 ppm1      8.830 ppm2      8.955

 ASSI { 1162}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 17   and name  HN  ))
      4.061     2.030     2.030 peak  1162 weight  1.00000E+00 volume  2.01236E+03 ppm1      8.629 ppm2      8.879

 ASSI { 1163}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 14   and name  HN  ))
      4.174     2.087     2.087 peak  1163 weight  1.00000E+00 volume  4.64751E+03 ppm1      8.628 ppm2      8.829

 ASSI { 1169}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 17   and name  HB1 ))
      4.262     2.131     2.131 peak  1169 weight  1.00000E+00 volume  -1.17848E+05 ppm1      7.867 ppm2      2.900

 ASSI { 1171}
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 19   and name  HN  ))
      4.798     2.399     2.399 peak  1171 weight  1.00000E+00 volume  -5.78541E+04 ppm1      7.541 ppm2      7.868

 ASSI { 1172}
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 19   and name  HN  ))
      5.173     2.587     2.587 peak  1172 weight  1.00000E+00 volume  -3.68346E+04 ppm1      7.539 ppm2      8.363

 ASSI { 1173}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 19   and name  HN  ))
      5.932     2.966     2.068 peak  1173 weight  1.00000E+00 volume  -1.62109E+04 ppm1      7.543 ppm2      8.958

 ASSI { 1174}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 21   and name  HN  ))
      3.597     1.799     1.799 peak  1174 weight  1.00000E+00 volume  -3.26011E+05 ppm1      8.956 ppm2      9.275

 ASSI { 1175}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 20   and name  HN  ))
      3.392     1.672     1.696 peak  1175 weight  1.00000E+00 volume  -1.56608E+04 ppm1      8.957 ppm2      9.090

 ASSI { 1176}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 14   and name  HN  ))
      3.463     1.732     1.732 peak  1176 weight  1.00000E+00 volume  -4.09427E+05 ppm1      8.957 ppm2      8.830

 ASSI { 1178}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 12   and name  HA  ))
      3.537     1.769     1.769 peak  1178 weight  1.00000E+00 volume  -2.57670E+04 ppm1      8.957 ppm2      5.639

 ASSI { 1179}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 14   and name  HA  ))
      3.083     1.363     1.541 peak  1179 weight  1.00000E+00 volume  -4.37367E+04 ppm1      8.956 ppm2      5.600

 ASSI { 1180}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 20   and name  HA  ))
      2.848     1.128     1.424 peak  1180 weight  1.00000E+00 volume  -6.59634E+04 ppm1      8.957 ppm2      5.538

 ASSI { 1181}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 21   and name  HA  ))
      3.547     1.774     1.774 peak  1181 weight  1.00000E+00 volume  -3.54502E+05 ppm1      8.956 ppm2      5.224

 ASSI { 1183}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 19   and name  HB  ))
      3.518     1.759     1.759 peak  1183 weight  1.00000E+00 volume  -3.72655E+05 ppm1      8.957 ppm2      1.769

 ASSI { 1185}
   (( segid "   A" and resid 20   and name  HN  ))
   (  segid "   A" and resid 63   and name  HB# )
      2.908     1.188     1.454 peak  1185 weight  1.00000E+00 volume  -5.26098E+04 ppm1      8.956 ppm2      0.849

 ASSI { 1188}
   (( segid "   A" and resid 20   and name  HE1 ))
   (( segid "   A" and resid 15   and name  HB  ))
      3.368     1.648     1.684 peak  1188 weight  1.00000E+00 volume  -4.83886E+05 ppm1     10.150 ppm2      2.099

 ASSI { 1189}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 42   and name  HN  ))
      2.587     0.867     1.294 peak  1189 weight  1.00000E+00 volume  -2.35543E+06 ppm1      9.274 ppm2      9.349

 ASSI { 1191}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 21   and name  HN  ))
      4.350     2.175     2.175 peak  1191 weight  1.00000E+00 volume  -1.04295E+05 ppm1      9.279 ppm2      8.956

 ASSI { 1192}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 21   and name  HN  ))
      5.027     2.514     2.514 peak  1192 weight  1.00000E+00 volume  -6.30982E+03 ppm1      9.269 ppm2      8.916

 ASSI { 1193}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 21   and name  HN  ))
      4.565     2.282     2.282 peak  1193 weight  1.00000E+00 volume  -7.80875E+04 ppm1      9.282 ppm2      9.090

 ASSI { 1194}
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 21   and name  HN  ))
      5.051     2.526     2.526 peak  1194 weight  1.00000E+00 volume  4.25043E+04 ppm1      9.275 ppm2      8.358

 ASSI { 1196}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 12   and name  HA  ))
      3.717     1.858     1.858 peak  1196 weight  1.00000E+00 volume  -2.67925E+05 ppm1      9.275 ppm2      5.640

 ASSI { 1197}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 42   and name  HA  ))
      3.739     1.870     1.870 peak  1197 weight  1.00000E+00 volume  -2.58455E+05 ppm1      9.275 ppm2      5.347

 ASSI { 1198}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 41   and name  HA  ))
      3.576     1.788     1.788 peak  1198 weight  1.00000E+00 volume  -3.37712E+05 ppm1      9.274 ppm2      5.328

 ASSI { 1199}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 22   and name  HA  ))
      4.922     2.461     2.461 peak  1199 weight  1.00000E+00 volume  -4.96906E+04 ppm1      9.273 ppm2      3.992

 ASSI { 1200}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 43   and name  HA  ))
      4.309     2.155     2.155 peak  1200 weight  1.00000E+00 volume  -1.10318E+05 ppm1      9.274 ppm2      3.926

 ASSI { 1201}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 20   and name  HB2 ))
      4.644     2.322     2.322 peak  1201 weight  1.00000E+00 volume  -7.03907E+04 ppm1      9.276 ppm2      2.608

 ASSI { 1202}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 42   and name  HB2 ))
      3.588     1.794     1.794 peak  1202 weight  1.00000E+00 volume  -3.31100E+05 ppm1      9.274 ppm2      1.810

 ASSI { 1203}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 41   and name  HB2 ))
      2.835     1.115     1.417 peak  1203 weight  1.00000E+00 volume  -1.36097E+06 ppm1      9.275 ppm2      1.586

 ASSI { 1204}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 44   and name  HB2 ))
      3.357     1.637     1.678 peak  1204 weight  1.00000E+00 volume  -1.58808E+04 ppm1      9.274 ppm2      1.476

 ASSI { 1205}
   (( segid "   A" and resid 21   and name  HN  ))
   (  segid "   A" and resid 41   and name  HD1#)
      3.112     1.392     1.556 peak  1205 weight  1.00000E+00 volume  -5.07133E+04 ppm1      9.274 ppm2      0.791

 ASSI { 1208}
   (( segid "   A" and resid 22   and name  HN  ))
   (  segid "   A" and resid 41   and name  HD1#)
      3.335     1.615     1.668 peak  1208 weight  1.00000E+00 volume  -5.13267E+05 ppm1      8.915 ppm2      0.792

 ASSI { 1209}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 11   and name  HB2 ))
      3.485     1.742     1.742 peak  1209 weight  1.00000E+00 volume  -3.94233E+05 ppm1      8.914 ppm2      1.384

 ASSI { 1210}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 21   and name  HB2 ))
      3.277     1.557     1.638 peak  1210 weight  1.00000E+00 volume  -5.70430E+05 ppm1      8.914 ppm2      1.563

 ASSI { 1212}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 21   and name  HB1 ))
      3.744     1.872     1.872 peak  1212 weight  1.00000E+00 volume  -1.35020E+04 ppm1      8.914 ppm2      1.676

 ASSI { 1214}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 23   and name  HN  ))
      3.624     1.812     1.812 peak  1214 weight  1.00000E+00 volume  -1.66903E+04 ppm1      8.916 ppm2      9.091

 ASSI { 1215}
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 22   and name  HN  ))
      3.624     1.812     1.812 peak  1215 weight  1.00000E+00 volume  -1.66903E+04 ppm1      8.916 ppm2      9.090

 ASSI { 1216}
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 23   and name  HN  ))
      3.502     1.751     1.751 peak  1216 weight  1.00000E+00 volume  -4.51256E+03 ppm1      9.091 ppm2      9.188

 ASSI { 1217}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 41   and name  HN  ))
      3.246     1.526     1.623 peak  1217 weight  1.00000E+00 volume  -1.11601E+04 ppm1      9.089 ppm2      9.012

 ASSI { 1218}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 23   and name  HN  ))
      6.669     3.335     1.331 peak  1218 weight  1.00000E+00 volume  -1.68904E+03 ppm1      9.092 ppm2      8.920

 ASSI { 1219}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 40   and name  HN  ))
      5.043     2.521     2.521 peak  1219 weight  1.00000E+00 volume  -8.22515E+03 ppm1      9.090 ppm2      8.599

 ASSI { 1220}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 41   and name  HA  ))
      3.962     1.981     1.981 peak  1220 weight  1.00000E+00 volume  -1.82563E+05 ppm1      9.089 ppm2      5.328

 ASSI { 1222}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 24   and name  HA  ))
      4.005     2.002     2.002 peak  1222 weight  1.00000E+00 volume  -1.71137E+05 ppm1      9.083 ppm2      4.767

 ASSI { 1224}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 22   and name  HB  ))
      4.324     2.162     2.162 peak  1224 weight  1.00000E+00 volume  -1.08117E+05 ppm1      9.087 ppm2      2.162

 ASSI { 1227}
   (( segid "   A" and resid 23   and name  HN  ))
   (  segid "   A" and resid 22   and name  HG1#)
      2.966     1.246     1.483 peak  1227 weight  1.00000E+00 volume  -5.92917E+04 ppm1      9.090 ppm2      0.703

 ASSI { 1228}
   (( segid "   A" and resid 23   and name  HN  ))
   (  segid "   A" and resid 22   and name  HG2#)
      4.068     2.034     2.034 peak  1228 weight  1.00000E+00 volume  -1.55766E+05 ppm1      9.090 ppm2      0.330

 ASSI { 1229}
   (( segid "   A" and resid 24   and name  HN  ))
   (  segid "   A" and resid 22   and name  HG2#)
      4.739     2.370     2.370 peak  1229 weight  1.00000E+00 volume  6.23278E+04 ppm1      8.000 ppm2      0.338

 ASSI { 1230}
   (( segid "   A" and resid 24   and name  HN  ))
   (  segid "   A" and resid 22   and name  HG1#)
      2.837     1.117     1.419 peak  1230 weight  1.00000E+00 volume  -1.35450E+06 ppm1      7.997 ppm2      0.701

 ASSI { 1231}
   (( segid "   A" and resid 24   and name  HN  ))
   (  segid "   A" and resid 23   and name  HG2#)
      2.837     1.117     1.419 peak  1231 weight  1.00000E+00 volume  -1.35450E+06 ppm1      7.997 ppm2      0.723

 ASSI { 1233}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 23   and name  HG12))
      3.210     1.490     1.605 peak  1233 weight  1.00000E+00 volume  -6.45863E+05 ppm1      7.997 ppm2      1.259

 ASSI { 1234}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 23   and name  HG11))
      3.152     1.432     1.576 peak  1234 weight  1.00000E+00 volume  -7.20286E+05 ppm1      7.997 ppm2      1.365

 ASSI { 1237}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 41   and name  HA  ))
      4.395     2.198     2.198 peak  1237 weight  1.00000E+00 volume  -2.12829E+03 ppm1      7.997 ppm2      5.328

 ASSI { 1238}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 39   and name  HA  ))
      3.678     1.839     1.839 peak  1238 weight  1.00000E+00 volume  -2.85210E+05 ppm1      7.997 ppm2      5.385

 ASSI { 1239}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 25   and name  HA  ))
      4.355     2.177     2.177 peak  1239 weight  1.00000E+00 volume  -7.71696E+03 ppm1      7.996 ppm2      5.449

 ASSI { 1240}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 25   and name  HN  ))
      3.304     1.584     1.652 peak  1240 weight  1.00000E+00 volume  -5.42786E+05 ppm1      7.991 ppm2      8.135

 ASSI { 1241}
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 25   and name  HN  ))
      4.066     2.033     2.033 peak  1241 weight  1.00000E+00 volume  -1.56329E+05 ppm1      8.158 ppm2      7.997

 ASSI { 1242}
   (( segid "   A" and resid 39   and name  HA  ))
   (( segid "   A" and resid 25   and name  HN  ))
      6.002     3.001     1.998 peak  1242 weight  1.00000E+00 volume  -1.51122E+04 ppm1      8.154 ppm2      5.372

 ASSI { 1243}
   (( segid "   A" and resid 26   and name  HA  ))
   (( segid "   A" and resid 25   and name  HN  ))
      4.290     2.145     2.145 peak  1243 weight  1.00000E+00 volume  -6.25912E+03 ppm1      8.148 ppm2      5.208

 ASSI { 1244}
   (( segid "   A" and resid 24   and name  HA  ))
   (( segid "   A" and resid 25   and name  HN  ))
      3.131     1.411     1.566 peak  1244 weight  1.00000E+00 volume  -2.82657E+04 ppm1      8.152 ppm2      4.780

 ASSI { 1245}
   (( segid "   A" and resid 25   and name  HB1 ))
   (( segid "   A" and resid 25   and name  HN  ))
      4.484     2.242     2.242 peak  1245 weight  1.00000E+00 volume  -5.01918E+03 ppm1      8.144 ppm2      2.709

 ASSI { 1246}
   (( segid "   A" and resid 26   and name  HB2 ))
   (( segid "   A" and resid 25   and name  HN  ))
      4.082     2.041     2.041 peak  1246 weight  1.00000E+00 volume  -1.52710E+05 ppm1      8.152 ppm2      1.855

 ASSI { 1247}
   (  segid "   A" and resid 22   and name  HG1#)
   (( segid "   A" and resid 25   and name  HN  ))
      4.337     2.169     2.169 peak  1247 weight  1.00000E+00 volume  -1.06077E+05 ppm1      8.151 ppm2      0.700

 ASSI { 1248}
   (  segid "   A" and resid 22   and name  HG2#)
   (( segid "   A" and resid 25   and name  HN  ))
      4.886     2.443     2.443 peak  1248 weight  1.00000E+00 volume  -5.19242E+04 ppm1      8.156 ppm2      0.331

 ASSI { 1250}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 38   and name  HB1 ))
      3.915     1.958     1.958 peak  1250 weight  1.00000E+00 volume  -1.20952E+04 ppm1      8.711 ppm2      1.694

 ASSI { 1253}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 25   and name  HB1 ))
      3.552     1.776     1.776 peak  1253 weight  1.00000E+00 volume  -3.51906E+05 ppm1      8.717 ppm2      2.707

 ASSI { 1254}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 25   and name  HB2 ))
      3.772     1.886     1.886 peak  1254 weight  1.00000E+00 volume  -2.45382E+05 ppm1      8.717 ppm2      3.181

 ASSI { 1255}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 39   and name  HB2 ))
      4.186     2.093     2.093 peak  1255 weight  1.00000E+00 volume  2.87469E+03 ppm1      8.717 ppm2      3.920

 ASSI { 1259}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 39   and name  HA  ))
      2.881     1.161     1.441 peak  1259 weight  1.00000E+00 volume  -1.23437E+06 ppm1      8.716 ppm2      5.385

 ASSI { 1261}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 27   and name  HN  ))
      3.526     1.763     1.763 peak  1261 weight  1.00000E+00 volume  -3.67244E+05 ppm1      8.711 ppm2      8.922

 ASSI { 1262}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 39   and name  HN  ))
      4.682     2.341     2.341 peak  1262 weight  1.00000E+00 volume  -6.70204E+04 ppm1      8.705 ppm2      8.984

 ASSI { 1264}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 27   and name  HN  ))
      3.276     1.556     1.638 peak  1264 weight  1.00000E+00 volume  -5.71843E+05 ppm1      8.921 ppm2      8.839

 ASSI { 1265}
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 26   and name  HA  ))
      2.971     1.251     1.486 peak  1265 weight  1.00000E+00 volume  -1.02633E+06 ppm1      8.921 ppm2      5.207

 ASSI { 1266}
   (  segid "   A" and resid 37   and name  HG1#)
   (( segid "   A" and resid 27   and name  HN  ))
      4.038     2.019     2.019 peak  1266 weight  1.00000E+00 volume  -8.57468E+03 ppm1      8.918 ppm2      0.568

 ASSI { 1267}
   (( segid "   A" and resid 28   and name  HN  ))
   (  segid "   A" and resid 37   and name  HG1#)
      2.817     1.097     1.409 peak  1267 weight  1.00000E+00 volume  -8.29680E+04 ppm1      8.838 ppm2      0.568

 ASSI { 1268}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 38   and name  HB1 ))
      4.075     2.038     2.038 peak  1268 weight  1.00000E+00 volume  -1.54145E+05 ppm1      8.837 ppm2      1.694

 ASSI { 1270}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 27   and name  HB2 ))
      3.508     1.754     1.754 peak  1270 weight  1.00000E+00 volume  -3.78772E+05 ppm1      8.838 ppm2      2.964

 ASSI { 1272}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 37   and name  HA  ))
      2.567     0.847     1.284 peak  1272 weight  1.00000E+00 volume  -2.46639E+06 ppm1      8.839 ppm2      4.834

 ASSI { 1273}
   (( segid "   A" and resid 36   and name  HN  ))
   (( segid "   A" and resid 28   and name  HN  ))
      3.959     1.979     1.979 peak  1273 weight  1.00000E+00 volume  -1.83482E+05 ppm1      8.838 ppm2      8.635

 ASSI { 1278}
   (  segid "   A" and resid 35   and name  HB# )
   (( segid "   A" and resid 29   and name  HN  ))
      4.666     2.333     2.333 peak  1278 weight  1.00000E+00 volume  6.12117E+02 ppm1      8.450 ppm2      1.439

 ASSI { 1279}
   (  segid "   A" and resid 28   and name  HG1#)
   (( segid "   A" and resid 29   and name  HN  ))
      4.116     2.058     2.058 peak  1279 weight  1.00000E+00 volume  -9.84426E+03 ppm1      8.448 ppm2      0.581

 ASSI { 1280}
   (( segid "   A" and resid 35   and name  HN  ))
   (( segid "   A" and resid 34   and name  HB2 ))
      4.453     2.226     2.226 peak  1280 weight  1.00000E+00 volume  -6.05084E+03 ppm1      8.334 ppm2      3.856

 ASSI { 1281}
   (  segid "   A" and resid 56   and name  HB# )
   (( segid "   A" and resid 35   and name  HN  ))
      4.234     2.117     2.117 peak  1281 weight  1.00000E+00 volume  -8.00946E+03 ppm1      8.331 ppm2      1.299

 ASSI { 1283}
   (( segid "   A" and resid 36   and name  HN  ))
   (  segid "   A" and resid 28   and name  HG1#)
      3.447     1.724     1.724 peak  1283 weight  1.00000E+00 volume  -3.70027E+04 ppm1      8.633 ppm2      0.581

 ASSI { 1284}
   (( segid "   A" and resid 36   and name  HN  ))
   (  segid "   A" and resid 56   and name  HB# )
      4.129     2.065     2.065 peak  1284 weight  1.00000E+00 volume  -1.15356E+04 ppm1      8.634 ppm2      1.297

 ASSI { 1287}
   (( segid "   A" and resid 36   and name  HN  ))
   (( segid "   A" and resid 37   and name  HN  ))
      4.577     2.288     2.288 peak  1287 weight  1.00000E+00 volume  -8.36011E+03 ppm1      8.634 ppm2      9.301

 ASSI { 1289}
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 37   and name  HN  ))
      4.036     2.018     2.018 peak  1289 weight  1.00000E+00 volume  -8.47100E+03 ppm1      9.299 ppm2      8.882

 ASSI { 1290}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 37   and name  HN  ))
      5.035     2.518     2.518 peak  1290 weight  1.00000E+00 volume  -1.05215E+03 ppm1      9.299 ppm2      8.840

 ASSI { 1291}
   (( segid "   A" and resid 36   and name  HN  ))
   (( segid "   A" and resid 37   and name  HN  ))
      7.109     3.554     0.891 peak  1291 weight  1.00000E+00 volume  1.61273E+02 ppm1      9.300 ppm2      8.634

 ASSI { 1292}
   (( segid "   A" and resid 37   and name  HN  ))
   (  segid "   A" and resid 54   and name  HD# )
      3.305     1.585     1.652 peak  1292 weight  1.00000E+00 volume  -3.82918E+04 ppm1      9.301 ppm2      7.039

 ASSI { 1294}
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 38   and name  HA  ))
      3.852     1.926     1.926 peak  1294 weight  1.00000E+00 volume  -1.19419E+04 ppm1      9.299 ppm2      4.906

 ASSI { 1295}
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 54   and name  HA  ))
      3.773     1.887     1.887 peak  1295 weight  1.00000E+00 volume  -1.20303E+04 ppm1      9.300 ppm2      4.788

 ASSI { 1296}
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 55   and name  HA  ))
      5.831     2.915     2.169 peak  1296 weight  1.00000E+00 volume  -8.94225E+03 ppm1      9.299 ppm2      4.395

 ASSI { 1297}
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 54   and name  HB2 ))
      3.202     1.482     1.601 peak  1297 weight  1.00000E+00 volume  -3.51388E+04 ppm1      9.300 ppm2      2.983

 ASSI { 1299}
   (( segid "   A" and resid 38   and name  HN  ))
   (  segid "   A" and resid 28   and name  HG1#)
      2.684     0.964     1.342 peak  1299 weight  1.00000E+00 volume  -1.17424E+05 ppm1      8.880 ppm2      0.580

 ASSI { 1300}
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 37   and name  HB  ))
      3.238     1.518     1.619 peak  1300 weight  1.00000E+00 volume  -6.12726E+05 ppm1      8.880 ppm2      1.668

 ASSI { 1301}
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 26   and name  HB2 ))
      3.274     1.554     1.637 peak  1301 weight  1.00000E+00 volume  -5.72960E+05 ppm1      8.880 ppm2      1.854

 ASSI { 1302}
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 36   and name  HB2 ))
      4.011     2.005     2.005 peak  1302 weight  1.00000E+00 volume  -1.39005E+04 ppm1      8.871 ppm2      3.020

 ASSI { 1304}
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 53   and name  HA  ))
      4.582     2.291     2.291 peak  1304 weight  1.00000E+00 volume  -5.56543E+03 ppm1      8.880 ppm2      5.188

 ASSI { 1305}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 38   and name  HN  ))
      3.189     1.469     1.595 peak  1305 weight  1.00000E+00 volume  -4.30528E+04 ppm1      8.880 ppm2      8.717

 ASSI { 1309}
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 54   and name  HN  ))
      3.566     1.783     1.783 peak  1309 weight  1.00000E+00 volume  -3.43473E+05 ppm1      8.880 ppm2      9.053

 ASSI { 1310}
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 37   and name  HN  ))
      8.000     4.000     0.000 peak  1310 weight  1.00000E+00 volume  -5.09020E+02 ppm1      8.878 ppm2      9.293

 ASSI { 1312}
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 39   and name  HN  ))
      3.561     1.780     1.780 peak  1312 weight  1.00000E+00 volume  -2.44201E+03 ppm1      8.985 ppm2      8.880

 ASSI { 1313}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 39   and name  HN  ))
      6.127     3.063     1.873 peak  1313 weight  1.00000E+00 volume  -3.98602E+03 ppm1      8.993 ppm2      8.716

 ASSI { 1314}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 39   and name  HN  ))
      3.813     1.907     1.907 peak  1314 weight  1.00000E+00 volume  -2.29770E+05 ppm1      8.984 ppm2      8.599

 ASSI { 1315}
   (( segid "   A" and resid 39   and name  HN  ))
   (  segid "   A" and resid 54   and name  HE# )
      4.258     2.129     2.129 peak  1315 weight  1.00000E+00 volume  -5.22680E+02 ppm1      8.987 ppm2      7.182

 ASSI { 1316}
   (( segid "   A" and resid 39   and name  HN  ))
   (  segid "   A" and resid 54   and name  HD# )
      4.750     2.375     2.375 peak  1316 weight  1.00000E+00 volume  6.15207E+04 ppm1      8.986 ppm2      7.038

 ASSI { 1317}
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 25   and name  HA  ))
      4.128     2.064     2.064 peak  1317 weight  1.00000E+00 volume  -1.42827E+05 ppm1      8.985 ppm2      5.450

 ASSI { 1319}
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 51   and name  HA  ))
      3.275     1.555     1.638 peak  1319 weight  1.00000E+00 volume  -5.71974E+05 ppm1      8.985 ppm2      5.184

 ASSI { 1320}
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 54   and name  HB2 ))
      6.354     3.177     1.646 peak  1320 weight  1.00000E+00 volume  -9.64574E+02 ppm1      8.991 ppm2      2.970

 ASSI { 1321}
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 52   and name  HB2 ))
      3.773     1.886     1.886 peak  1321 weight  1.00000E+00 volume  -9.06632E+03 ppm1      8.985 ppm2      1.917

 ASSI { 1322}
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 38   and name  HB2 ))
      3.760     1.880     1.880 peak  1322 weight  1.00000E+00 volume  -1.37956E+04 ppm1      8.985 ppm2      1.897

 ASSI { 1324}
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 38   and name  HB1 ))
      3.815     1.908     1.908 peak  1324 weight  1.00000E+00 volume  -6.30871E+03 ppm1      8.984 ppm2      1.694

 ASSI { 1325}
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 37   and name  HB  ))
      3.774     1.887     1.887 peak  1325 weight  1.00000E+00 volume  1.70484E+03 ppm1      8.986 ppm2      1.668

 ASSI { 1326}
   (( segid "   A" and resid 40   and name  HN  ))
   (  segid "   A" and resid 22   and name  HG1#)
      3.801     1.900     1.900 peak  1326 weight  1.00000E+00 volume  -1.70007E+04 ppm1      8.599 ppm2      0.701

 ASSI { 1328}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 40   and name  HB2 ))
      3.222     1.502     1.611 peak  1328 weight  1.00000E+00 volume  -6.31410E+05 ppm1      8.600 ppm2      1.594

 ASSI { 1331}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 25   and name  HB1 ))
      4.228     2.114     2.114 peak  1331 weight  1.00000E+00 volume  -3.52655E+03 ppm1      8.599 ppm2      2.708

 ASSI { 1332}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 24   and name  HB2 ))
      4.265     2.132     2.132 peak  1332 weight  1.00000E+00 volume  -1.17404E+05 ppm1      8.603 ppm2      2.790

 ASSI { 1333}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 25   and name  HB2 ))
      5.589     2.795     2.411 peak  1333 weight  1.00000E+00 volume  -2.31620E+04 ppm1      8.599 ppm2      3.184

 ASSI { 1334}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 39   and name  HB2 ))
      3.277     1.557     1.639 peak  1334 weight  1.00000E+00 volume  -5.70174E+05 ppm1      8.601 ppm2      3.919

 ASSI { 1336}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 51   and name  HA  ))
      4.628     2.314     2.314 peak  1336 weight  1.00000E+00 volume  -7.18725E+04 ppm1      8.601 ppm2      5.184

 ASSI { 1339}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 25   and name  HA  ))
      2.831     1.111     1.415 peak  1339 weight  1.00000E+00 volume  -7.03628E+04 ppm1      8.599 ppm2      5.450

 ASSI { 1341}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 39   and name  HN  ))
      3.650     1.825     1.825 peak  1341 weight  1.00000E+00 volume  -1.28618E+04 ppm1      8.600 ppm2      8.985

 ASSI { 1342}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 41   and name  HN  ))
      3.492     1.746     1.746 peak  1342 weight  1.00000E+00 volume  -2.28134E+04 ppm1      8.599 ppm2      9.013

 ASSI { 1343}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 40   and name  HN  ))
      4.838     2.419     2.419 peak  1343 weight  1.00000E+00 volume  -6.09355E+02 ppm1      8.599 ppm2      9.090

 ASSI { 1344}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 41   and name  HN  ))
      3.811     1.905     1.905 peak  1344 weight  1.00000E+00 volume  -9.76989E+03 ppm1      9.013 ppm2      9.348

 ASSI { 1346}
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 51   and name  HN  ))
      3.517     1.759     1.759 peak  1346 weight  1.00000E+00 volume  -3.72975E+05 ppm1      9.013 ppm2      8.603

 ASSI { 1347}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 41   and name  HN  ))
      3.517     1.759     1.759 peak  1347 weight  1.00000E+00 volume  -3.72975E+05 ppm1      9.013 ppm2      8.599

 ASSI { 1348}
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 49   and name  HA  ))
      3.490     1.745     1.745 peak  1348 weight  1.00000E+00 volume  -2.21119E+04 ppm1      9.014 ppm2      5.410

 ASSI { 1351}
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 22   and name  HA  ))
      4.824     2.412     2.412 peak  1351 weight  1.00000E+00 volume  7.17379E+02 ppm1      9.013 ppm2      3.993

 ASSI { 1352}
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 51   and name  HB1 ))
      3.763     1.882     1.882 peak  1352 weight  1.00000E+00 volume  -1.76625E+04 ppm1      9.013 ppm2      1.892

 ASSI { 1353}
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 50   and name  HB2 ))
      3.554     1.777     1.777 peak  1353 weight  1.00000E+00 volume  -2.41984E+04 ppm1      9.013 ppm2      1.860

 ASSI { 1359}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 23   and name  HG12))
      3.393     1.673     1.697 peak  1359 weight  1.00000E+00 volume  -4.62682E+05 ppm1      9.347 ppm2      1.260

 ASSI { 1361}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 21   and name  HB1 ))
      3.162     1.442     1.581 peak  1361 weight  1.00000E+00 volume  -2.94784E+04 ppm1      9.348 ppm2      1.677

 ASSI { 1362}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 23   and name  HB  ))
      4.258     2.129     2.129 peak  1362 weight  1.00000E+00 volume  -7.13188E+03 ppm1      9.332 ppm2      1.901

 ASSI { 1363}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 20   and name  HB2 ))
      4.937     2.468     2.468 peak  1363 weight  1.00000E+00 volume  -4.87794E+04 ppm1      9.348 ppm2      2.605

 ASSI { 1364}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 21   and name  HA  ))
      3.454     1.727     1.727 peak  1364 weight  1.00000E+00 volume  -4.15602E+05 ppm1      9.349 ppm2      5.223

 ASSI { 1366}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 42   and name  HA  ))
      2.827     1.107     1.414 peak  1366 weight  1.00000E+00 volume  -1.38220E+06 ppm1      9.348 ppm2      5.348

 ASSI { 1368}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 20   and name  HA  ))
      4.401     2.200     2.200 peak  1368 weight  1.00000E+00 volume  -9.72293E+04 ppm1      9.348 ppm2      5.539

 ASSI { 1369}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 41   and name  HN  ))
      4.236     2.118     2.118 peak  1369 weight  1.00000E+00 volume  -1.22197E+05 ppm1      9.347 ppm2      9.014

 ASSI { 1370}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 23   and name  HN  ))
      4.033     2.016     2.016 peak  1370 weight  1.00000E+00 volume  -1.64128E+05 ppm1      9.347 ppm2      9.089

 ASSI { 1371}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 42   and name  HN  ))
      2.721     1.001     1.360 peak  1371 weight  1.00000E+00 volume  -1.74141E+06 ppm1      9.348 ppm2      9.275

 ASSI { 1373}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 43   and name  HN  ))
      5.878     2.939     2.122 peak  1373 weight  1.00000E+00 volume  1.71166E+04 ppm1      9.362 ppm2      9.715

 ASSI { 1374}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 43   and name  HN  ))
      4.120     2.060     2.060 peak  1374 weight  1.00000E+00 volume  -1.44328E+05 ppm1      9.720 ppm2      9.348

 ASSI { 1375}
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 43   and name  HN  ))
      4.138     2.069     2.069 peak  1375 weight  1.00000E+00 volume  -1.40610E+05 ppm1      9.725 ppm2      9.287

 ASSI { 1376}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 43   and name  HN  ))
      4.119     2.059     2.059 peak  1376 weight  1.00000E+00 volume  -9.96105E+03 ppm1      9.725 ppm2      9.275

 ASSI { 1377}
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 43   and name  HN  ))
      4.646     2.323     2.323 peak  1377 weight  1.00000E+00 volume  -3.97714E+03 ppm1      9.725 ppm2      8.365

 ASSI { 1378}
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 47   and name  HN  ))
      4.703     2.352     2.352 peak  1378 weight  1.00000E+00 volume  -6.52359E+04 ppm1      9.728 ppm2      8.318

 ASSI { 1379}
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 48   and name  HN  ))
      3.848     1.924     1.924 peak  1379 weight  1.00000E+00 volume  -2.17576E+05 ppm1      9.728 ppm2      7.522

 ASSI { 1380}
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 20   and name  HA  ))
      5.447     2.723     2.553 peak  1380 weight  1.00000E+00 volume  -2.70506E+04 ppm1      9.723 ppm2      5.535

 ASSI { 1381}
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 49   and name  HA  ))
      2.978     1.258     1.489 peak  1381 weight  1.00000E+00 volume  -5.22410E+04 ppm1      9.726 ppm2      5.411

 ASSI { 1382}
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 47   and name  HA1 ))
      4.320     2.160     2.160 peak  1382 weight  1.00000E+00 volume  -6.41911E+03 ppm1      9.726 ppm2      4.267

 ASSI { 1383}
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 48   and name  HA  ))
      4.320     2.160     2.160 peak  1383 weight  1.00000E+00 volume  -6.41911E+03 ppm1      9.726 ppm2      4.265

 ASSI { 1385}
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 47   and name  HA2 ))
      5.253     2.627     2.627 peak  1385 weight  1.00000E+00 volume  -4.28980E+03 ppm1      9.718 ppm2      3.634

 ASSI { 1386}
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 50   and name  HB2 ))
      4.237     2.119     2.119 peak  1386 weight  1.00000E+00 volume  -6.82129E+03 ppm1      9.726 ppm2      1.861

 ASSI { 1387}
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 42   and name  HB2 ))
      4.201     2.100     2.100 peak  1387 weight  1.00000E+00 volume  -1.25809E+04 ppm1      9.725 ppm2      1.811

 ASSI { 1389}
   (( segid "   A" and resid 44   and name  HN  ))
   (  segid "   A" and resid 46   and name  HG2#)
      4.280     2.140     2.140 peak  1389 weight  1.00000E+00 volume  -4.14770E+03 ppm1      8.360 ppm2      1.062

 ASSI { 1390}
   (( segid "   A" and resid 44   and name  HN  ))
   (  segid "   A" and resid 18   and name  HB# )
      3.441     1.720     1.720 peak  1390 weight  1.00000E+00 volume  -2.61847E+04 ppm1      8.365 ppm2      1.123

 ASSI { 1392}
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 21   and name  HB1 ))
      4.385     2.192     2.192 peak  1392 weight  1.00000E+00 volume  -9.93544E+04 ppm1      8.364 ppm2      1.676

 ASSI { 1393}
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 19   and name  HB  ))
      4.582     2.291     2.291 peak  1393 weight  1.00000E+00 volume  -7.62961E+04 ppm1      8.357 ppm2      1.770

 ASSI { 1394}
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 43   and name  HB2 ))
      4.636     2.318     2.318 peak  1394 weight  1.00000E+00 volume  -4.75066E+03 ppm1      8.363 ppm2      2.905

 ASSI { 1395}
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 43   and name  HA  ))
      2.791     1.071     1.396 peak  1395 weight  1.00000E+00 volume  -8.43416E+04 ppm1      8.364 ppm2      3.925

 ASSI { 1396}
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 20   and name  HD1 ))
      4.717     2.359     2.359 peak  1396 weight  1.00000E+00 volume  -8.41287E+03 ppm1      8.359 ppm2      7.107

 ASSI { 1398}
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 19   and name  HN  ))
      8.000     4.000     0.000 peak  1398 weight  1.00000E+00 volume  -1.73191E+02 ppm1      8.362 ppm2      7.530

 ASSI { 1400}
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 44   and name  HN  ))
      5.394     2.697     2.606 peak  1400 weight  1.00000E+00 volume  3.81341E+03 ppm1      8.358 ppm2      8.965

 ASSI { 1401}
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 21   and name  HN  ))
      5.145     2.572     2.572 peak  1401 weight  1.00000E+00 volume  1.39362E+03 ppm1      8.362 ppm2      9.277

 ASSI { 1402}
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 43   and name  HN  ))
      5.236     2.618     2.618 peak  1402 weight  1.00000E+00 volume  -3.32921E+03 ppm1      8.393 ppm2      9.716

 ASSI { 1403}
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 45   and name  HN  ))
      2.700     0.980     1.350 peak  1403 weight  1.00000E+00 volume  -6.40989E+04 ppm1      8.208 ppm2      8.316

 ASSI { 1404}
   (( segid "   A" and resid 45   and name  HN  ))
   (( segid "   A" and resid 19   and name  HN  ))
      4.648     2.324     2.324 peak  1404 weight  1.00000E+00 volume  -7.44013E+03 ppm1      8.196 ppm2      7.543

 ASSI { 1407}
   (( segid "   A" and resid 45   and name  HN  ))
   (( segid "   A" and resid 43   and name  HA  ))
      3.770     1.885     1.885 peak  1407 weight  1.00000E+00 volume  -1.34614E+04 ppm1      8.205 ppm2      3.925

 ASSI { 1408}
   (( segid "   A" and resid 45   and name  HN  ))
   (( segid "   A" and resid 43   and name  HB2 ))
      5.104     2.552     2.552 peak  1408 weight  1.00000E+00 volume  -3.99386E+04 ppm1      8.228 ppm2      2.906

 ASSI { 1409}
   (( segid "   A" and resid 45   and name  HN  ))
   (  segid "   A" and resid 18   and name  HB# )
      3.530     1.765     1.765 peak  1409 weight  1.00000E+00 volume  -3.65100E+05 ppm1      8.206 ppm2      1.120

 ASSI { 1410}
   (( segid "   A" and resid 45   and name  HN  ))
   (  segid "   A" and resid 44   and name  HD1#)
      3.694     1.847     1.847 peak  1410 weight  1.00000E+00 volume  -2.78106E+05 ppm1      8.204 ppm2      0.789

 ASSI { 1412}
   (  segid "   A" and resid 48   and name  HB# )
   (( segid "   A" and resid 46   and name  HN  ))
      4.187     2.094     2.094 peak  1412 weight  1.00000E+00 volume  -1.08527E+04 ppm1      7.297 ppm2      1.400

 ASSI { 1413}
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 43   and name  HB2 ))
      4.247     2.123     2.123 peak  1413 weight  1.00000E+00 volume  -1.34258E+04 ppm1      7.299 ppm2      2.905

 ASSI { 1414}
   (( segid "   A" and resid 47   and name  HA2 ))
   (( segid "   A" and resid 46   and name  HN  ))
      5.161     2.581     2.581 peak  1414 weight  1.00000E+00 volume  -5.19684E+03 ppm1      7.297 ppm2      3.636

 ASSI { 1415}
   (( segid "   A" and resid 47   and name  HA1 ))
   (( segid "   A" and resid 46   and name  HN  ))
      3.768     1.884     1.884 peak  1415 weight  1.00000E+00 volume  -2.27170E+04 ppm1      7.299 ppm2      4.266

 ASSI { 1417}
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 45   and name  HA  ))
      3.080     1.360     1.540 peak  1417 weight  1.00000E+00 volume  -6.32409E+04 ppm1      7.297 ppm2      4.454

 ASSI { 1418}
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 46   and name  HN  ))
      3.009     1.289     1.505 peak  1418 weight  1.00000E+00 volume  -9.50735E+05 ppm1      7.299 ppm2      8.363

 ASSI { 1419}
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 47   and name  HN  ))
      4.826     2.413     2.413 peak  1419 weight  1.00000E+00 volume  -5.59315E+04 ppm1      8.308 ppm2      9.753

 ASSI { 1421}
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 45   and name  HN  ))
      3.004     1.284     1.502 peak  1421 weight  1.00000E+00 volume  -3.19167E+04 ppm1      8.317 ppm2      8.207

 ASSI { 1422}
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 45   and name  HA  ))
      3.457     1.728     1.728 peak  1422 weight  1.00000E+00 volume  -3.05835E+04 ppm1      8.317 ppm2      4.455

 ASSI { 1423}
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 46   and name  HB  ))
      3.209     1.489     1.604 peak  1423 weight  1.00000E+00 volume  -1.51608E+04 ppm1      8.316 ppm2      4.393

 ASSI { 1424}
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 44   and name  HA  ))
      4.914     2.457     2.457 peak  1424 weight  1.00000E+00 volume  -5.01848E+04 ppm1      8.306 ppm2      3.994

 ASSI { 1425}
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 43   and name  HA  ))
      5.564     2.782     2.436 peak  1425 weight  1.00000E+00 volume  -1.79805E+02 ppm1      8.304 ppm2      3.924

 ASSI { 1426}
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 45   and name  HB2 ))
      4.446     2.223     2.223 peak  1426 weight  1.00000E+00 volume  -9.14997E+04 ppm1      8.317 ppm2      1.798

 ASSI { 1427}
   (( segid "   A" and resid 47   and name  HN  ))
   (  segid "   A" and resid 46   and name  HG2#)
      4.683     2.342     2.342 peak  1427 weight  1.00000E+00 volume  -6.69375E+04 ppm1      8.315 ppm2      1.063

 ASSI { 1428}
   (( segid "   A" and resid 48   and name  HN  ))
   (  segid "   A" and resid 49   and name  HD1#)
      4.307     2.153     2.153 peak  1428 weight  1.00000E+00 volume  1.10639E+05 ppm1      7.530 ppm2      0.854

 ASSI { 1429}
   (( segid "   A" and resid 48   and name  HN  ))
   (  segid "   A" and resid 46   and name  HG2#)
      4.044     2.022     2.022 peak  1429 weight  1.00000E+00 volume  -1.61404E+05 ppm1      7.525 ppm2      1.065

 ASSI { 1430}
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 43   and name  HA  ))
      3.982     1.991     1.991 peak  1430 weight  1.00000E+00 volume  -1.77098E+05 ppm1      7.530 ppm2      3.929

 ASSI { 1431}
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 47   and name  HA1 ))
      2.686     0.966     1.343 peak  1431 weight  1.00000E+00 volume  -1.87875E+06 ppm1      7.522 ppm2      4.266

 ASSI { 1432}
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 42   and name  HA  ))
      5.124     2.562     2.562 peak  1432 weight  1.00000E+00 volume  2.38705E+03 ppm1      7.535 ppm2      5.339

 ASSI { 1433}
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 49   and name  HN  ))
      3.324     1.604     1.662 peak  1433 weight  1.00000E+00 volume  -2.26377E+04 ppm1      7.518 ppm2      8.420

 ASSI { 1434}
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 48   and name  HN  ))
      4.320     2.160     2.160 peak  1434 weight  1.00000E+00 volume  -1.10208E+04 ppm1      7.526 ppm2      9.724

 ASSI { 1435}
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 49   and name  HN  ))
      4.029     2.014     2.014 peak  1435 weight  1.00000E+00 volume  -8.42806E+03 ppm1      8.434 ppm2      9.292

 ASSI { 1436}
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 49   and name  HN  ))
      8.000     4.000     0.000 peak  1436 weight  1.00000E+00 volume  -1.01197E+04 ppm1      8.423 ppm2      7.524

 ASSI { 1437}
   (( segid "   A" and resid 49   and name  HN  ))
   (( segid "   A" and resid 42   and name  HA  ))
      4.074     2.037     2.037 peak  1437 weight  1.00000E+00 volume  -6.35762E+03 ppm1      8.424 ppm2      5.349

 ASSI { 1439}
   (( segid "   A" and resid 50   and name  HN  ))
   (  segid "   A" and resid 48   and name  HB# )
      3.539     1.770     1.770 peak  1439 weight  1.00000E+00 volume  -3.59432E+05 ppm1      9.285 ppm2      1.401

 ASSI { 1440}
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 49   and name  HB  ))
      2.927     1.207     1.463 peak  1440 weight  1.00000E+00 volume  -1.12330E+06 ppm1      9.285 ppm2      1.796

 ASSI { 1442}
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 51   and name  HA  ))
      5.425     2.712     2.575 peak  1442 weight  1.00000E+00 volume  -9.02203E+03 ppm1      9.278 ppm2      5.184

 ASSI { 1446}
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 43   and name  HN  ))
      4.434     2.217     2.217 peak  1446 weight  1.00000E+00 volume  1.40132E+03 ppm1      9.290 ppm2      9.717

 ASSI { 1447}
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 51   and name  HN  ))
      3.458     1.729     1.729 peak  1447 weight  1.00000E+00 volume  -4.12719E+05 ppm1      8.603 ppm2      9.013

 ASSI { 1449}
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 50   and name  HA  ))
      2.876     1.156     1.438 peak  1449 weight  1.00000E+00 volume  -1.24818E+06 ppm1      8.603 ppm2      4.767

 ASSI { 1451}
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 50   and name  HB2 ))
      3.500     1.750     1.750 peak  1451 weight  1.00000E+00 volume  -1.01779E+04 ppm1      8.606 ppm2      1.862

 ASSI { 1452}
   (( segid "   A" and resid 52   and name  HN  ))
   (  segid "   A" and resid 41   and name  HD1#)
      5.528     2.764     2.472 peak  1452 weight  1.00000E+00 volume  2.47001E+03 ppm1      8.556 ppm2      0.791

 ASSI { 1454}
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 51   and name  HB1 ))
      3.018     1.298     1.509 peak  1454 weight  1.00000E+00 volume  -4.67706E+04 ppm1      8.554 ppm2      1.892

 ASSI { 1455}
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 39   and name  HB2 ))
      5.036     2.518     2.518 peak  1455 weight  1.00000E+00 volume  4.33140E+04 ppm1      8.558 ppm2      3.934

 ASSI { 1456}
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 38   and name  HA  ))
      5.062     2.531     2.531 peak  1456 weight  1.00000E+00 volume  -4.19606E+04 ppm1      8.559 ppm2      4.907

 ASSI { 1459}
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 52   and name  HN  ))
      3.172     1.452     1.586 peak  1459 weight  1.00000E+00 volume  -4.23141E+04 ppm1      8.554 ppm2      8.984

 ASSI { 1460}
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 41   and name  HN  ))
      3.028     1.308     1.514 peak  1460 weight  1.00000E+00 volume  -6.68818E+04 ppm1      8.551 ppm2      9.013

 ASSI { 1461}
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 54   and name  HN  ))
      3.378     1.658     1.689 peak  1461 weight  1.00000E+00 volume  -2.49022E+04 ppm1      9.052 ppm2      9.301

 ASSI { 1462}
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 55   and name  HN  ))
      3.378     1.658     1.689 peak  1462 weight  1.00000E+00 volume  -2.49022E+04 ppm1      9.051 ppm2      9.314

 ASSI { 1464}
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 38   and name  HA  ))
      3.346     1.626     1.673 peak  1464 weight  1.00000E+00 volume  -2.41609E+04 ppm1      9.052 ppm2      4.905

 ASSI { 1465}
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 37   and name  HA  ))
      3.225     1.505     1.612 peak  1465 weight  1.00000E+00 volume  -3.19657E+04 ppm1      9.050 ppm2      4.834

 ASSI { 1466}
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 36   and name  HB2 ))
      3.199     1.479     1.600 peak  1466 weight  1.00000E+00 volume  -2.98417E+04 ppm1      9.050 ppm2      3.023

 ASSI { 1467}
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 37   and name  HB  ))
      3.791     1.895     1.895 peak  1467 weight  1.00000E+00 volume  -8.24678E+03 ppm1      9.051 ppm2      1.668

 ASSI { 1468}
   (( segid "   A" and resid 54   and name  HN  ))
   (  segid "   A" and resid 4    and name  HG2#)
      4.622     2.311     2.311 peak  1468 weight  1.00000E+00 volume  -6.02970E+03 ppm1      9.033 ppm2      0.244

 ASSI { 1469}
   (( segid "   A" and resid 55   and name  HN  ))
   (  segid "   A" and resid 4    and name  HG2#)
      4.325     2.163     2.163 peak  1469 weight  1.00000E+00 volume  -4.23627E+03 ppm1      9.306 ppm2      0.223

 ASSI { 1471}
   (( segid "   A" and resid 55   and name  HN  ))
   (  segid "   A" and resid 4    and name  HG1#)
      4.790     2.395     2.395 peak  1471 weight  1.00000E+00 volume  5.84654E+04 ppm1      9.317 ppm2      0.698

 ASSI { 1472}
   (( segid "   A" and resid 55   and name  HN  ))
   (( segid "   A" and resid 55   and name  HB2 ))
      3.294     1.574     1.647 peak  1472 weight  1.00000E+00 volume  -1.12363E+04 ppm1      9.312 ppm2      1.848

 ASSI { 1474}
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 55   and name  HN  ))
      4.547     2.273     2.273 peak  1474 weight  1.00000E+00 volume  -7.99116E+04 ppm1      9.312 ppm2      9.054

 ASSI { 1476}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 55   and name  HN  ))
      4.148     2.074     2.074 peak  1476 weight  1.00000E+00 volume  -1.38632E+05 ppm1      7.981 ppm2      9.308

 ASSI { 1477}
   (( segid "   A" and resid 36   and name  HN  ))
   (( segid "   A" and resid 56   and name  HN  ))
      4.418     2.209     2.209 peak  1477 weight  1.00000E+00 volume  6.99223E+03 ppm1      7.983 ppm2      8.637

 ASSI { 1478}
   (( segid "   A" and resid 56   and name  HN  ))
   (  segid "   A" and resid 36   and name  HD# )
      4.651     2.326     2.326 peak  1478 weight  1.00000E+00 volume  6.10078E+01 ppm1      7.989 ppm2      7.094

 ASSI { 1479}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 34   and name  HB2 ))
      4.078     2.039     2.039 peak  1479 weight  1.00000E+00 volume  -7.28025E+03 ppm1      7.982 ppm2      3.858

 ASSI { 1480}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 55   and name  HB2 ))
      3.936     1.968     1.968 peak  1480 weight  1.00000E+00 volume  1.40145E+02 ppm1      7.983 ppm2      1.859

 ASSI { 1481}
   (( segid "   A" and resid 56   and name  HN  ))
   (  segid "   A" and resid 35   and name  HB# )
      4.228     2.114     2.114 peak  1481 weight  1.00000E+00 volume  -7.95402E+03 ppm1      7.978 ppm2      1.442

 ASSI { 1482}
   (( segid "   A" and resid 56   and name  HN  ))
   (  segid "   A" and resid 4    and name  HG1#)
      5.088     2.544     2.544 peak  1482 weight  1.00000E+00 volume  -3.80158E+03 ppm1      7.987 ppm2      0.698

 ASSI { 1483}
   (( segid "   A" and resid 56   and name  HN  ))
   (  segid "   A" and resid 37   and name  HG1#)
      4.749     2.374     2.374 peak  1483 weight  1.00000E+00 volume  -9.32165E+03 ppm1      7.981 ppm2      0.567

 ASSI { 1484}
   (( segid "   A" and resid 56   and name  HN  ))
   (  segid "   A" and resid 4    and name  HG2#)
      4.213     2.106     2.106 peak  1484 weight  1.00000E+00 volume  6.39364E+03 ppm1      7.980 ppm2      0.247

 ASSI { 1485}
   (( segid "   A" and resid 63   and name  HN  ))
   (  segid "   A" and resid 63   and name  HB# )
      2.922     1.202     1.461 peak  1485 weight  1.00000E+00 volume  -1.13415E+06 ppm1      7.836 ppm2      0.849

 ASSI { 1486}
   (( segid "   A" and resid 14   and name  HB1 ))
   (( segid "   A" and resid 63   and name  HN  ))
      8.000     4.000     0.000 peak  1486 weight  1.00000E+00 volume  -6.42699E+02 ppm1      7.854 ppm2      3.708

 ASSI { 1487}
   (( segid "   A" and resid 12   and name  HB  ))
   (( segid "   A" and resid 63   and name  HN  ))
      4.587     2.293     2.293 peak  1487 weight  1.00000E+00 volume  -8.55592E+03 ppm1      7.834 ppm2      3.971

 ASSI { 1488}
   (( segid "   A" and resid 63   and name  HN  ))
   (( segid "   A" and resid 62   and name  HA  ))
      2.508     0.788     1.254 peak  1488 weight  1.00000E+00 volume  -2.83669E+06 ppm1      7.837 ppm2      4.604

 ASSI { 1489}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 63   and name  HN  ))
      5.498     2.749     2.502 peak  1489 weight  1.00000E+00 volume  -8.03125E+03 ppm1      7.844 ppm2      5.636

 ASSI { 1490}
   (( segid "   A" and resid 12   and name  HN  ))
   (( segid "   A" and resid 63   and name  HN  ))
      6.364     3.182     1.636 peak  1490 weight  1.00000E+00 volume  -6.03928E+03 ppm1      7.812 ppm2      7.974

 ASSI { 1492}
   (( segid "   A" and resid 68   and name  HN  ))
   (( segid "   A" and resid 69   and name  HN  ))
      3.171     1.451     1.586 peak  1492 weight  1.00000E+00 volume  -9.68554E+03 ppm1      8.786 ppm2      8.693

 ASSI { 1493}
   (( segid "   A" and resid 68   and name  HN  ))
   (( segid "   A" and resid 114  and name  HA  ))
      3.684     1.842     1.842 peak  1493 weight  1.00000E+00 volume  -2.91237E+04 ppm1      8.787 ppm2      5.224

 ASSI { 1494}
   (( segid "   A" and resid 68   and name  HN  ))
   (( segid "   A" and resid 112  and name  HA  ))
      3.860     1.930     1.930 peak  1494 weight  1.00000E+00 volume  -6.83677E+03 ppm1      8.786 ppm2      5.079

 ASSI { 1496}
   (( segid "   A" and resid 68   and name  HN  ))
   (( segid "   A" and resid 68   and name  HA  ))
      3.216     1.496     1.608 peak  1496 weight  1.00000E+00 volume  -3.46900E+04 ppm1      8.788 ppm2      4.621

 ASSI { 1497}
   (( segid "   A" and resid 68   and name  HN  ))
   (( segid "   A" and resid 113  and name  HA  ))
      6.026     3.013     1.974 peak  1497 weight  1.00000E+00 volume  6.71739E+03 ppm1      8.785 ppm2      4.422

 ASSI { 1498}
   (( segid "   A" and resid 68   and name  HN  ))
   (( segid "   A" and resid 112  and name  HB2 ))
      4.071     2.036     2.036 peak  1498 weight  1.00000E+00 volume  -1.92193E+03 ppm1      8.788 ppm2      2.018

 ASSI { 1499}
   (( segid "   A" and resid 68   and name  HN  ))
   (( segid "   A" and resid 113  and name  HB  ))
      2.959     1.239     1.480 peak  1499 weight  1.00000E+00 volume  -1.05144E+06 ppm1      8.787 ppm2      1.658

 ASSI { 1500}
   (( segid "   A" and resid 68   and name  HN  ))
   (  segid "   A" and resid 115  and name  HG2#)
      4.031     2.015     2.015 peak  1500 weight  1.00000E+00 volume  -1.64628E+05 ppm1      8.789 ppm2      0.906

 ASSI { 1501}
   (( segid "   A" and resid 69   and name  HN  ))
   (( segid "   A" and resid 68   and name  HG2 ))
      3.618     1.809     1.809 peak  1501 weight  1.00000E+00 volume  -3.14788E+05 ppm1      8.692 ppm2      1.607

 ASSI { 1503}
   (( segid "   A" and resid 69   and name  HN  ))
   (( segid "   A" and resid 69   and name  HB2 ))
      3.466     1.733     1.733 peak  1503 weight  1.00000E+00 volume  -2.09320E+04 ppm1      8.693 ppm2      1.748

 ASSI { 1504}
   (( segid "   A" and resid 69   and name  HN  ))
   (( segid "   A" and resid 68   and name  HB2 ))
      3.358     1.638     1.679 peak  1504 weight  1.00000E+00 volume  -4.92782E+05 ppm1      8.693 ppm2      1.802

 ASSI { 1506}
   (( segid "   A" and resid 69   and name  HA  ))
   (( segid "   A" and resid 69   and name  HN  ))
      2.596     0.876     1.298 peak  1506 weight  1.00000E+00 volume  -2.30815E+06 ppm1      8.693 ppm2      4.693

 ASSI { 1507}
   (( segid "   A" and resid 70   and name  HA  ))
   (( segid "   A" and resid 69   and name  HN  ))
      5.149     2.575     2.575 peak  1507 weight  1.00000E+00 volume  -3.78779E+04 ppm1      8.688 ppm2      5.176

 ASSI { 1508}
   (( segid "   A" and resid 85   and name  HN  ))
   (( segid "   A" and resid 69   and name  HN  ))
      4.148     2.074     2.074 peak  1508 weight  1.00000E+00 volume  -1.38609E+05 ppm1      8.693 ppm2      8.691

 ASSI { 1509}
   (( segid "   A" and resid 86   and name  HN  ))
   (( segid "   A" and resid 69   and name  HN  ))
      3.870     1.935     1.935 peak  1509 weight  1.00000E+00 volume  -2.10155E+05 ppm1      8.693 ppm2      8.718

 ASSI { 1510}
   (( segid "   A" and resid 68   and name  HN  ))
   (( segid "   A" and resid 69   and name  HN  ))
      3.835     1.917     1.917 peak  1510 weight  1.00000E+00 volume  -2.22096E+05 ppm1      8.693 ppm2      8.788

 ASSI { 1511}
   (( segid "   A" and resid 70   and name  HN  ))
   (( segid "   A" and resid 69   and name  HN  ))
      4.140     2.070     2.070 peak  1511 weight  1.00000E+00 volume  -1.40205E+05 ppm1      8.692 ppm2      8.920

 ASSI { 1512}
   (( segid "   A" and resid 113  and name  HN  ))
   (( segid "   A" and resid 69   and name  HN  ))
      4.275     2.137     2.137 peak  1512 weight  1.00000E+00 volume  -1.15721E+05 ppm1      8.698 ppm2      9.074

 ASSI { 1515}
   (( segid "   A" and resid 70   and name  HN  ))
   (( segid "   A" and resid 69   and name  HN  ))
      4.658     2.329     2.329 peak  1515 weight  1.00000E+00 volume  -7.06452E+03 ppm1      8.921 ppm2      8.695

 ASSI { 1517}
   (( segid "   A" and resid 70   and name  HN  ))
   (( segid "   A" and resid 110  and name  HA  ))
      3.197     1.477     1.599 peak  1517 weight  1.00000E+00 volume  -3.73665E+04 ppm1      8.920 ppm2      5.091

 ASSI { 1518}
   (( segid "   A" and resid 70   and name  HN  ))
   (( segid "   A" and resid 112  and name  HA  ))
      3.197     1.477     1.599 peak  1518 weight  1.00000E+00 volume  -6.61428E+05 ppm1      8.919 ppm2      5.079

 ASSI { 1520}
   (( segid "   A" and resid 70   and name  HN  ))
   (( segid "   A" and resid 69   and name  HB2 ))
      2.999     1.279     1.499 peak  1520 weight  1.00000E+00 volume  -5.36193E+04 ppm1      8.914 ppm2      1.749

 ASSI { 1522}
   (( segid "   A" and resid 72   and name  HN  ))
   (( segid "   A" and resid 83   and name  HN  ))
      4.195     2.097     2.097 peak  1522 weight  1.00000E+00 volume  -1.29603E+05 ppm1      9.125 ppm2      9.300

 ASSI { 1526}
   (( segid "   A" and resid 72   and name  HN  ))
   (( segid "   A" and resid 73   and name  HN  ))
      3.967     1.983     1.983 peak  1526 weight  1.00000E+00 volume  -1.81213E+05 ppm1      9.126 ppm2      8.786

 ASSI { 1527}
   (( segid "   A" and resid 72   and name  HN  ))
   (( segid "   A" and resid 72   and name  HA  ))
      4.602     2.301     2.301 peak  1527 weight  1.00000E+00 volume  -7.43284E+04 ppm1      9.125 ppm2      4.128

 ASSI { 1529}
   (( segid "   A" and resid 170  and name  HB2 ))
   (( segid "   A" and resid 167  and name  HN  ))
      3.591     1.795     1.795 peak  1529 weight  1.00000E+00 volume  -3.29383E+05 ppm1      9.119 ppm2      2.978

 ASSI { 1530}
   (( segid "   A" and resid 72   and name  HN  ))
   (( segid "   A" and resid 71   and name  HG2 ))
      3.464     1.732     1.732 peak  1530 weight  1.00000E+00 volume  -4.08868E+05 ppm1      9.125 ppm2      2.212

 ASSI { 1532}
   (( segid "   A" and resid 72   and name  HN  ))
   (( segid "   A" and resid 71   and name  HB2 ))
      3.087     1.367     1.544 peak  1532 weight  1.00000E+00 volume  -5.17591E+04 ppm1      9.125 ppm2      2.002

 ASSI { 1533}
   (( segid "   A" and resid 72   and name  HN  ))
   (( segid "   A" and resid 71   and name  HB1 ))
      4.077     2.038     2.038 peak  1533 weight  1.00000E+00 volume  -1.53888E+05 ppm1      9.121 ppm2      1.814

 ASSI { 1534}
   (( segid "   A" and resid 167  and name  HN  ))
   (( segid "   A" and resid 166  and name  HB  ))
      4.686     2.343     2.343 peak  1534 weight  1.00000E+00 volume  -6.67146E+04 ppm1      9.122 ppm2      1.719

 ASSI { 1535}
   (( segid "   A" and resid 167  and name  HN  ))
   (  segid "   A" and resid 133  and name  HG2#)
      3.402     1.682     1.701 peak  1535 weight  1.00000E+00 volume  -1.61085E+04 ppm1      9.125 ppm2      0.777

 ASSI { 1536}
   (( segid "   A" and resid 73   and name  HN  ))
   (( segid "   A" and resid 71   and name  HG2 ))
      4.437     2.219     2.219 peak  1536 weight  1.00000E+00 volume  -3.96624E+03 ppm1      8.796 ppm2      2.212

 ASSI { 1537}
   (( segid "   A" and resid 73   and name  HN  ))
   (( segid "   A" and resid 81   and name  HB  ))
      4.994     2.497     2.497 peak  1537 weight  1.00000E+00 volume  -1.03930E+02 ppm1      8.800 ppm2      2.043

 ASSI { 1538}
   (( segid "   A" and resid 73   and name  HN  ))
   (( segid "   A" and resid 83   and name  HB2 ))
      5.083     2.541     2.541 peak  1538 weight  1.00000E+00 volume  1.59294E+03 ppm1      8.799 ppm2      2.004

 ASSI { 1539}
   (( segid "   A" and resid 73   and name  HN  ))
   (( segid "   A" and resid 71   and name  HB2 ))
      5.065     2.533     2.533 peak  1539 weight  1.00000E+00 volume  4.17802E+03 ppm1      8.799 ppm2      1.998

 ASSI { 1540}
   (( segid "   A" and resid 73   and name  HN  ))
   (( segid "   A" and resid 71   and name  HB1 ))
      5.529     2.764     2.471 peak  1540 weight  1.00000E+00 volume  -2.36073E+03 ppm1      8.803 ppm2      1.805

 ASSI { 1541}
   (( segid "   A" and resid 73   and name  HN  ))
   (( segid "   A" and resid 72   and name  HB2 ))
      3.970     1.985     1.985 peak  1541 weight  1.00000E+00 volume  -1.80517E+05 ppm1      8.786 ppm2      2.724

 ASSI { 1542}
   (( segid "   A" and resid 73   and name  HN  ))
   (( segid "   A" and resid 72   and name  HA  ))
      3.193     1.473     1.596 peak  1542 weight  1.00000E+00 volume  -6.66661E+05 ppm1      8.784 ppm2      4.115

 ASSI { 1543}
   (( segid "   A" and resid 73   and name  HN  ))
   (( segid "   A" and resid 73   and name  HA  ))
      3.191     1.471     1.596 peak  1543 weight  1.00000E+00 volume  -6.68554E+05 ppm1      8.784 ppm2      4.226

 ASSI { 1544}
   (( segid "   A" and resid 73   and name  HN  ))
   (  segid "   A" and resid 82   and name  HD# )
      3.896     1.948     1.948 peak  1544 weight  1.00000E+00 volume  -2.02001E+05 ppm1      8.790 ppm2      6.998

 ASSI { 1545}
   (( segid "   A" and resid 73   and name  HN  ))
   (( segid "   A" and resid 82   and name  HN  ))
      4.176     2.088     2.088 peak  1545 weight  1.00000E+00 volume  -1.33195E+05 ppm1      8.794 ppm2      9.066

 ASSI { 1546}
   (( segid "   A" and resid 108  and name  HN  ))
   (( segid "   A" and resid 73   and name  HN  ))
      4.230     2.115     2.115 peak  1546 weight  1.00000E+00 volume  -1.23208E+05 ppm1      8.792 ppm2      9.107

 ASSI { 1547}
   (( segid "   A" and resid 72   and name  HN  ))
   (( segid "   A" and resid 73   and name  HN  ))
      4.562     2.281     2.281 peak  1547 weight  1.00000E+00 volume  -4.28145E+03 ppm1      8.794 ppm2      9.129

 ASSI { 1548}
   (( segid "   A" and resid 83   and name  HN  ))
   (( segid "   A" and resid 73   and name  HN  ))
      4.367     2.184     2.184 peak  1548 weight  1.00000E+00 volume  -1.01808E+05 ppm1      8.796 ppm2      9.327

 ASSI { 1549}
   (( segid "   A" and resid 74   and name  HN  ))
   (( segid "   A" and resid 75   and name  HN  ))
      4.289     2.144     2.144 peak  1549 weight  1.00000E+00 volume  -7.57234E+03 ppm1      6.317 ppm2      8.421

 ASSI { 1550}
   (( segid "   A" and resid 74   and name  HN  ))
   (( segid "   A" and resid 73   and name  HA  ))
      2.795     1.075     1.397 peak  1550 weight  1.00000E+00 volume  -9.08713E+04 ppm1      6.321 ppm2      4.228

 ASSI { 1552}
   (( segid "   A" and resid 74   and name  HN  ))
   (( segid "   A" and resid 75   and name  HN  ))
      4.416     2.208     2.208 peak  1552 weight  1.00000E+00 volume  -3.54729E+03 ppm1      8.415 ppm2      6.320

 ASSI { 1554}
   (( segid "   A" and resid 76   and name  HN  ))
   (( segid "   A" and resid 80   and name  HN  ))
      4.672     2.336     2.336 peak  1554 weight  1.00000E+00 volume  -1.36600E+03 ppm1      8.822 ppm2      9.035

 ASSI { 1556}
   (( segid "   A" and resid 76   and name  HN  ))
   (( segid "   A" and resid 75   and name  HN  ))
      3.947     1.974     1.974 peak  1556 weight  1.00000E+00 volume  -1.45726E+04 ppm1      8.822 ppm2      8.418

 ASSI { 1557}
   (( segid "   A" and resid 76   and name  HN  ))
   (( segid "   A" and resid 79   and name  HN  ))
      4.492     2.246     2.246 peak  1557 weight  1.00000E+00 volume  -5.57134E+03 ppm1      8.821 ppm2      7.732

 ASSI { 1558}
   (( segid "   A" and resid 76   and name  HN  ))
   (  segid "   A" and resid 74   and name  HE# )
      4.548     2.274     2.274 peak  1558 weight  1.00000E+00 volume  -9.31539E+03 ppm1      8.821 ppm2      6.601

 ASSI { 1559}
   (( segid "   A" and resid 76   and name  HN  ))
   (( segid "   A" and resid 76   and name  HA  ))
      2.498     0.778     1.249 peak  1559 weight  1.00000E+00 volume  -2.90771E+06 ppm1      8.821 ppm2      4.714

 ASSI { 1560}
   (( segid "   A" and resid 76   and name  HN  ))
   (( segid "   A" and resid 75   and name  HA  ))
      2.542     0.822     1.271 peak  1560 weight  1.00000E+00 volume  -2.61889E+06 ppm1      8.821 ppm2      4.720

 ASSI { 1561}
   (( segid "   A" and resid 76   and name  HN  ))
   (( segid "   A" and resid 77   and name  HA2 ))
      5.339     2.670     2.661 peak  1561 weight  1.00000E+00 volume  3.04831E+04 ppm1      8.828 ppm2      3.952

 ASSI { 1562}
   (( segid "   A" and resid 76   and name  HN  ))
   (( segid "   A" and resid 80   and name  HB2 ))
      4.091     2.045     2.045 peak  1562 weight  1.00000E+00 volume  -9.93676E+03 ppm1      8.823 ppm2      2.886

 ASSI { 1563}
   (( segid "   A" and resid 76   and name  HN  ))
   (( segid "   A" and resid 79   and name  HB2 ))
      3.786     1.893     1.893 peak  1563 weight  1.00000E+00 volume  -2.39746E+05 ppm1      8.819 ppm2      2.816

 ASSI { 1564}
   (( segid "   A" and resid 76   and name  HN  ))
   (( segid "   A" and resid 79   and name  HB1 ))
      3.775     1.888     1.888 peak  1564 weight  1.00000E+00 volume  -7.29986E+03 ppm1      8.820 ppm2      2.439

 ASSI { 1568}
   (( segid "   A" and resid 77   and name  HA1 ))
   (( segid "   A" and resid 77   and name  HN  ))
      4.020     2.010     2.010 peak  1568 weight  1.00000E+00 volume  -8.05777E+03 ppm1      8.586 ppm2      3.564

 ASSI { 1569}
   (( segid "   A" and resid 77   and name  HA2 ))
   (( segid "   A" and resid 77   and name  HN  ))
      4.550     2.275     2.275 peak  1569 weight  1.00000E+00 volume  -3.30156E+03 ppm1      8.603 ppm2      3.940

 ASSI { 1571}
   (( segid "   A" and resid 76   and name  HA  ))
   (( segid "   A" and resid 77   and name  HN  ))
      4.206     2.103     2.103 peak  1571 weight  1.00000E+00 volume  -2.83162E+03 ppm1      8.604 ppm2      4.714

 ASSI { 1572}
   (( segid "   A" and resid 75   and name  HA  ))
   (( segid "   A" and resid 77   and name  HN  ))
      4.206     2.103     2.103 peak  1572 weight  1.00000E+00 volume  -2.83162E+03 ppm1      8.604 ppm2      4.720

 ASSI { 1573}
   (( segid "   A" and resid 79   and name  HN  ))
   (( segid "   A" and resid 77   and name  HN  ))
      4.873     2.437     2.437 peak  1573 weight  1.00000E+00 volume  -5.09762E+03 ppm1      8.579 ppm2      7.733

 ASSI { 1574}
   (( segid "   A" and resid 76   and name  HN  ))
   (( segid "   A" and resid 77   and name  HN  ))
      5.289     2.645     2.645 peak  1574 weight  1.00000E+00 volume  -3.22471E+04 ppm1      8.603 ppm2      8.823

 ASSI { 1575}
   (( segid "   A" and resid 79   and name  HN  ))
   (( segid "   A" and resid 80   and name  HN  ))
      4.814     2.407     2.407 peak  1575 weight  1.00000E+00 volume  -5.67755E+04 ppm1      7.737 ppm2      9.036

 ASSI { 1576}
   (( segid "   A" and resid 79   and name  HN  ))
   (( segid "   A" and resid 78   and name  HA  ))
      2.533     0.813     1.267 peak  1576 weight  1.00000E+00 volume  -2.67154E+06 ppm1      7.731 ppm2      4.731

 ASSI { 1578}
   (( segid "   A" and resid 79   and name  HN  ))
   (( segid "   A" and resid 80   and name  HA  ))
      4.238     2.119     2.119 peak  1578 weight  1.00000E+00 volume  -3.68489E+03 ppm1      7.729 ppm2      4.555

 ASSI { 1579}
   (( segid "   A" and resid 79   and name  HN  ))
   (( segid "   A" and resid 77   and name  HA2 ))
      4.527     2.264     2.264 peak  1579 weight  1.00000E+00 volume  -8.20016E+04 ppm1      7.722 ppm2      3.943

 ASSI { 1581}
   (( segid "   A" and resid 79   and name  HN  ))
   (( segid "   A" and resid 78   and name  HB2 ))
      3.326     1.606     1.663 peak  1581 weight  1.00000E+00 volume  -1.73278E+04 ppm1      7.724 ppm2      2.917

 ASSI { 1582}
   (( segid "   A" and resid 79   and name  HN  ))
   (( segid "   A" and resid 76   and name  HB1 ))
      3.158     1.438     1.579 peak  1582 weight  1.00000E+00 volume  -2.00113E+04 ppm1      7.725 ppm2      2.712

 ASSI { 1583}
   (( segid "   A" and resid 79   and name  HN  ))
   (( segid "   A" and resid 78   and name  HB1 ))
      3.539     1.770     1.770 peak  1583 weight  1.00000E+00 volume  -1.15498E+04 ppm1      7.723 ppm2      2.545

 ASSI { 1584}
   (( segid "   A" and resid 79   and name  HN  ))
   (( segid "   A" and resid 76   and name  HB2 ))
      3.600     1.800     1.800 peak  1584 weight  1.00000E+00 volume  -7.82777E+03 ppm1      7.727 ppm2      2.375

 ASSI { 1586}
   (( segid "   A" and resid 80   and name  HN  ))
   (  segid "   A" and resid 98   and name  HD1#)
      3.474     1.737     1.737 peak  1586 weight  1.00000E+00 volume  -4.01691E+05 ppm1      9.037 ppm2      0.666

 ASSI { 1588}
   (( segid "   A" and resid 80   and name  HN  ))
   (( segid "   A" and resid 93   and name  HB2 ))
      4.364     2.182     2.182 peak  1588 weight  1.00000E+00 volume  -1.02275E+05 ppm1      9.033 ppm2      1.554

 ASSI { 1590}
   (( segid "   A" and resid 80   and name  HN  ))
   (( segid "   A" and resid 93   and name  HB1 ))
      4.406     2.203     2.203 peak  1590 weight  1.00000E+00 volume  -8.16364E+03 ppm1      9.040 ppm2      1.681

 ASSI { 1591}
   (( segid "   A" and resid 80   and name  HN  ))
   (( segid "   A" and resid 92   and name  HB2 ))
      5.805     2.902     2.195 peak  1591 weight  1.00000E+00 volume  -5.69372E+03 ppm1      9.042 ppm2      1.902

 ASSI { 1592}
   (( segid "   A" and resid 80   and name  HN  ))
   (( segid "   A" and resid 80   and name  HB2 ))
      3.375     1.655     1.687 peak  1592 weight  1.00000E+00 volume  -4.78129E+05 ppm1      9.034 ppm2      2.890

 ASSI { 1593}
   (( segid "   A" and resid 80   and name  HN  ))
   (( segid "   A" and resid 80   and name  HB1 ))
      3.273     1.553     1.636 peak  1593 weight  1.00000E+00 volume  -5.74660E+05 ppm1      9.036 ppm2      2.947

 ASSI { 1594}
   (( segid "   A" and resid 80   and name  HN  ))
   (( segid "   A" and resid 81   and name  HA  ))
      5.222     2.611     2.611 peak  1594 weight  1.00000E+00 volume  -5.18328E+03 ppm1      9.042 ppm2      4.436

 ASSI { 1595}
   (( segid "   A" and resid 80   and name  HN  ))
   (( segid "   A" and resid 93   and name  HA  ))
      3.723     1.862     1.862 peak  1595 weight  1.00000E+00 volume  -3.82805E+03 ppm1      9.035 ppm2      4.839

 ASSI { 1596}
   (( segid "   A" and resid 80   and name  HN  ))
   (( segid "   A" and resid 92   and name  HA  ))
      4.429     2.214     2.214 peak  1596 weight  1.00000E+00 volume  -1.34894E+04 ppm1      9.035 ppm2      5.591

 ASSI { 1597}
   (( segid "   A" and resid 80   and name  HN  ))
   (  segid "   A" and resid 82   and name  HD# )
      3.580     1.790     1.790 peak  1597 weight  1.00000E+00 volume  -7.70207E+03 ppm1      9.034 ppm2      6.983

 ASSI { 1598}
   (( segid "   A" and resid 79   and name  HN  ))
   (( segid "   A" and resid 80   and name  HN  ))
      7.132     3.566     0.868 peak  1598 weight  1.00000E+00 volume  -6.04922E+03 ppm1      9.039 ppm2      7.732

 ASSI { 1599}
   (( segid "   A" and resid 81   and name  HN  ))
   (( segid "   A" and resid 80   and name  HN  ))
      8.000     4.000     0.000 peak  1599 weight  1.00000E+00 volume  -6.83821E+03 ppm1      9.042 ppm2      8.478

 ASSI { 1600}
   (( segid "   A" and resid 76   and name  HN  ))
   (( segid "   A" and resid 80   and name  HN  ))
      5.541     2.770     2.459 peak  1600 weight  1.00000E+00 volume  -5.78608E+03 ppm1      9.049 ppm2      8.820

 ASSI { 1601}
   (( segid "   A" and resid 81   and name  HN  ))
   (( segid "   A" and resid 82   and name  HN  ))
      5.195     2.598     2.598 peak  1601 weight  1.00000E+00 volume  -9.48110E+03 ppm1      8.490 ppm2      9.064

 ASSI { 1602}
   (( segid "   A" and resid 81   and name  HN  ))
   (( segid "   A" and resid 80   and name  HN  ))
      5.195     2.598     2.598 peak  1602 weight  1.00000E+00 volume  -9.48110E+03 ppm1      8.490 ppm2      9.036

 ASSI { 1603}
   (( segid "   A" and resid 81   and name  HN  ))
   (( segid "   A" and resid 76   and name  HN  ))
      4.056     2.028     2.028 peak  1603 weight  1.00000E+00 volume  -1.54245E+04 ppm1      8.485 ppm2      8.823

 ASSI { 1604}
   (( segid "   A" and resid 81   and name  HN  ))
   (( segid "   A" and resid 73   and name  HN  ))
      4.325     2.163     2.163 peak  1604 weight  1.00000E+00 volume  -6.01038E+03 ppm1      8.484 ppm2      8.787

 ASSI { 1606}
   (( segid "   A" and resid 81   and name  HN  ))
   (  segid "   A" and resid 82   and name  HD# )
      4.467     2.233     2.233 peak  1606 weight  1.00000E+00 volume  -3.49747E+03 ppm1      8.491 ppm2      6.977

 ASSI { 1607}
   (( segid "   A" and resid 81   and name  HN  ))
   (( segid "   A" and resid 92   and name  HA  ))
      3.783     1.891     1.891 peak  1607 weight  1.00000E+00 volume  -5.67996E+03 ppm1      8.482 ppm2      5.641

 ASSI { 1608}
   (( segid "   A" and resid 81   and name  HN  ))
   (( segid "   A" and resid 75   and name  HA  ))
      2.760     1.040     1.380 peak  1608 weight  1.00000E+00 volume  -4.29386E+04 ppm1      8.483 ppm2      4.721

 ASSI { 1609}
   (( segid "   A" and resid 81   and name  HN  ))
   (( segid "   A" and resid 81   and name  HA  ))
      3.500     1.750     1.750 peak  1609 weight  1.00000E+00 volume  -3.84478E+05 ppm1      8.484 ppm2      4.437

 ASSI { 1610}
   (( segid "   A" and resid 81   and name  HN  ))
   (( segid "   A" and resid 74   and name  HA  ))
      4.345     2.172     2.172 peak  1610 weight  1.00000E+00 volume  -1.05013E+05 ppm1      8.444 ppm2      4.187

 ASSI { 1611}
   (( segid "   A" and resid 81   and name  HN  ))
   (( segid "   A" and resid 80   and name  HB1 ))
      5.237     2.618     2.618 peak  1611 weight  1.00000E+00 volume  -4.99976E+03 ppm1      8.492 ppm2      2.948

 ASSI { 1612}
   (( segid "   A" and resid 81   and name  HN  ))
   (( segid "   A" and resid 80   and name  HB2 ))
      4.494     2.247     2.247 peak  1612 weight  1.00000E+00 volume  -1.45495E+04 ppm1      8.486 ppm2      2.885

 ASSI { 1613}
   (( segid "   A" and resid 81   and name  HN  ))
   (( segid "   A" and resid 74   and name  HB1 ))
      4.342     2.171     2.171 peak  1613 weight  1.00000E+00 volume  -1.47262E+04 ppm1      8.484 ppm2      2.842

 ASSI { 1614}
   (( segid "   A" and resid 81   and name  HN  ))
   (  segid "   A" and resid 75   and name  HB# )
      4.252     2.126     2.126 peak  1614 weight  1.00000E+00 volume  -1.19482E+05 ppm1      8.483 ppm2      1.269

 ASSI { 1615}
   (( segid "   A" and resid 82   and name  HN  ))
   (  segid "   A" and resid 91   and name  HG2#)
      3.654     1.827     1.827 peak  1615 weight  1.00000E+00 volume  -2.96681E+05 ppm1      9.055 ppm2      0.967

 ASSI { 1618}
   (( segid "   A" and resid 82   and name  HN  ))
   (( segid "   A" and resid 81   and name  HB  ))
      3.493     1.747     1.747 peak  1618 weight  1.00000E+00 volume  -1.79769E+04 ppm1      9.054 ppm2      2.040

 ASSI { 1619}
   (( segid "   A" and resid 82   and name  HN  ))
   (( segid "   A" and resid 91   and name  HA  ))
      3.888     1.944     1.944 peak  1619 weight  1.00000E+00 volume  -9.69091E+03 ppm1      9.053 ppm2      4.571

 ASSI { 1620}
   (( segid "   A" and resid 82   and name  HN  ))
   (( segid "   A" and resid 83   and name  HA  ))
      3.444     1.722     1.722 peak  1620 weight  1.00000E+00 volume  -1.32184E+04 ppm1      9.055 ppm2      5.167

 ASSI { 1621}
   (( segid "   A" and resid 82   and name  HN  ))
   (( segid "   A" and resid 82   and name  HA  ))
      3.608     1.804     1.804 peak  1621 weight  1.00000E+00 volume  -1.58481E+04 ppm1      9.054 ppm2      5.345

 ASSI { 1622}
   (( segid "   A" and resid 82   and name  HN  ))
   (( segid "   A" and resid 90   and name  HA  ))
      4.137     2.068     2.068 peak  1622 weight  1.00000E+00 volume  -6.78607E+03 ppm1      9.054 ppm2      5.440

 ASSI { 1623}
   (( segid "   A" and resid 82   and name  HN  ))
   (( segid "   A" and resid 92   and name  HA  ))
      4.035     2.018     2.018 peak  1623 weight  1.00000E+00 volume  -1.29952E+04 ppm1      9.055 ppm2      5.590

 ASSI { 1624}
   (( segid "   A" and resid 81   and name  HN  ))
   (( segid "   A" and resid 82   and name  HN  ))
      5.315     2.658     2.658 peak  1624 weight  1.00000E+00 volume  -3.13105E+04 ppm1      9.050 ppm2      8.485

 ASSI { 1625}
   (( segid "   A" and resid 73   and name  HN  ))
   (( segid "   A" and resid 82   and name  HN  ))
      4.432     2.216     2.216 peak  1625 weight  1.00000E+00 volume  -8.15656E+03 ppm1      9.054 ppm2      8.787

 ASSI { 1626}
   (( segid "   A" and resid 82   and name  HN  ))
   (( segid "   A" and resid 91   and name  HN  ))
      3.333     1.613     1.667 peak  1626 weight  1.00000E+00 volume  -5.15046E+05 ppm1      9.054 ppm2      8.932

 ASSI { 1627}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 82   and name  HN  ))
      4.076     2.038     2.038 peak  1627 weight  1.00000E+00 volume  -1.54001E+05 ppm1      9.055 ppm2      9.249

 ASSI { 1628}
   (( segid "   A" and resid 83   and name  HN  ))
   (( segid "   A" and resid 82   and name  HN  ))
      5.054     2.527     2.527 peak  1628 weight  1.00000E+00 volume  -4.23765E+04 ppm1      9.050 ppm2      9.317

 ASSI { 1630}
   (( segid "   A" and resid 83   and name  HN  ))
   (( segid "   A" and resid 82   and name  HN  ))
      3.297     1.577     1.648 peak  1630 weight  1.00000E+00 volume  -5.49890E+05 ppm1      9.325 ppm2      9.063

 ASSI { 1631}
   (( segid "   A" and resid 83   and name  HN  ))
   (( segid "   A" and resid 91   and name  HN  ))
      5.301     2.651     2.651 peak  1631 weight  1.00000E+00 volume  -3.18197E+04 ppm1      9.310 ppm2      8.930

 ASSI { 1632}
   (( segid "   A" and resid 83   and name  HN  ))
   (( segid "   A" and resid 73   and name  HN  ))
      4.262     2.131     2.131 peak  1632 weight  1.00000E+00 volume  -1.17772E+05 ppm1      9.326 ppm2      8.787

 ASSI { 1633}
   (( segid "   A" and resid 83   and name  HN  ))
   (( segid "   A" and resid 84   and name  HN  ))
      3.753     1.876     1.876 peak  1633 weight  1.00000E+00 volume  -1.95266E+04 ppm1      9.326 ppm2      8.682

 ASSI { 1636}
   (( segid "   A" and resid 83   and name  HN  ))
   (( segid "   A" and resid 72   and name  HA  ))
      6.021     3.010     1.979 peak  1636 weight  1.00000E+00 volume  -9.76355E+03 ppm1      9.327 ppm2      4.129

 ASSI { 1637}
   (( segid "   A" and resid 83   and name  HN  ))
   (( segid "   A" and resid 82   and name  HB1 ))
      3.318     1.598     1.659 peak  1637 weight  1.00000E+00 volume  -2.31321E+04 ppm1      9.322 ppm2      2.972

 ASSI { 1638}
   (( segid "   A" and resid 83   and name  HN  ))
   (( segid "   A" and resid 82   and name  HB2 ))
      3.948     1.974     1.974 peak  1638 weight  1.00000E+00 volume  -1.86478E+05 ppm1      9.320 ppm2      2.913

 ASSI { 1639}
   (( segid "   A" and resid 83   and name  HN  ))
   (( segid "   A" and resid 71   and name  HG2 ))
      7.800     3.900     0.200 peak  1639 weight  1.00000E+00 volume  -3.13549E+03 ppm1      9.320 ppm2      2.214

 ASSI { 1642}
   (( segid "   A" and resid 83   and name  HN  ))
   (( segid "   A" and resid 70   and name  HB2 ))
      3.521     1.761     1.761 peak  1642 weight  1.00000E+00 volume  -1.96344E+04 ppm1      9.322 ppm2      1.613

 ASSI { 1643}
   (( segid "   A" and resid 83   and name  HN  ))
   (  segid "   A" and resid 73   and name  HD2#)
      3.904     1.952     1.952 peak  1643 weight  1.00000E+00 volume  -1.99446E+05 ppm1      9.326 ppm2      0.948

 ASSI { 1646}
   (( segid "   A" and resid 84   and name  HN  ))
   (( segid "   A" and resid 83   and name  HB2 ))
      3.325     1.605     1.663 peak  1646 weight  1.00000E+00 volume  -5.22342E+05 ppm1      8.681 ppm2      2.002

 ASSI { 1647}
   (( segid "   A" and resid 84   and name  HN  ))
   (( segid "   A" and resid 89   and name  HA  ))
      4.201     2.100     2.100 peak  1647 weight  1.00000E+00 volume  -1.28487E+05 ppm1      8.686 ppm2      4.351

 ASSI { 1648}
   (( segid "   A" and resid 84   and name  HN  ))
   (( segid "   A" and resid 88   and name  HA  ))
      4.056     2.028     2.028 peak  1648 weight  1.00000E+00 volume  -1.58581E+05 ppm1      8.684 ppm2      4.425

 ASSI { 1649}
   (( segid "   A" and resid 84   and name  HN  ))
   (( segid "   A" and resid 84   and name  HA  ))
      3.254     1.534     1.627 peak  1649 weight  1.00000E+00 volume  -5.94690E+05 ppm1      8.680 ppm2      4.665

 ASSI { 1651}
   (( segid "   A" and resid 89   and name  HN  ))
   (( segid "   A" and resid 84   and name  HN  ))
      4.388     2.194     2.194 peak  1651 weight  1.00000E+00 volume  -7.08307E+03 ppm1      8.679 ppm2      7.664

 ASSI { 1652}
   (( segid "   A" and resid 88   and name  HN  ))
   (( segid "   A" and resid 84   and name  HN  ))
      5.968     2.984     2.032 peak  1652 weight  1.00000E+00 volume  -4.14612E+03 ppm1      8.680 ppm2      7.967

 ASSI { 1655}
   (( segid "   A" and resid 91   and name  HN  ))
   (( segid "   A" and resid 84   and name  HN  ))
      3.853     1.927     1.927 peak  1655 weight  1.00000E+00 volume  -1.29118E+04 ppm1      8.682 ppm2      8.931

 ASSI { 1656}
   (( segid "   A" and resid 84   and name  HN  ))
   (( segid "   A" and resid 71   and name  HN  ))
      5.525     2.763     2.475 peak  1656 weight  1.00000E+00 volume  2.41252E+03 ppm1      8.682 ppm2      9.082

 ASSI { 1657}
   (( segid "   A" and resid 85   and name  HN  ))
   (( segid "   A" and resid 71   and name  HN  ))
      4.145     2.073     2.073 peak  1657 weight  1.00000E+00 volume  -9.14730E+03 ppm1      8.698 ppm2      9.080

 ASSI { 1658}
   (( segid "   A" and resid 85   and name  HN  ))
   (( segid "   A" and resid 86   and name  HN  ))
      4.246     2.123     2.123 peak  1658 weight  1.00000E+00 volume  -1.20509E+05 ppm1      8.687 ppm2      8.718

 ASSI { 1659}
   (( segid "   A" and resid 85   and name  HN  ))
   (( segid "   A" and resid 69   and name  HN  ))
      4.309     2.154     2.154 peak  1659 weight  1.00000E+00 volume  -1.10341E+05 ppm1      8.687 ppm2      8.694

 ASSI { 1660}
   (( segid "   A" and resid 85   and name  HN  ))
   (( segid "   A" and resid 84   and name  HN  ))
      4.309     2.154     2.154 peak  1660 weight  1.00000E+00 volume  -1.10341E+05 ppm1      8.687 ppm2      8.681

 ASSI { 1661}
   (( segid "   A" and resid 85   and name  HN  ))
   (( segid "   A" and resid 87   and name  HN  ))
      5.657     2.829     2.343 peak  1661 weight  1.00000E+00 volume  -2.15445E+04 ppm1      8.703 ppm2      8.078

 ASSI { 1662}
   (( segid "   A" and resid 85   and name  HN  ))
   (( segid "   A" and resid 70   and name  HA  ))
      4.331     2.165     2.165 peak  1662 weight  1.00000E+00 volume  -1.07082E+05 ppm1      8.687 ppm2      5.177

 ASSI { 1663}
   (( segid "   A" and resid 85   and name  HN  ))
   (( segid "   A" and resid 84   and name  HA  ))
      2.773     1.053     1.387 peak  1663 weight  1.00000E+00 volume  -1.55247E+06 ppm1      8.687 ppm2      4.664

 ASSI { 1665}
   (( segid "   A" and resid 85   and name  HN  ))
   (( segid "   A" and resid 85   and name  HA  ))
      5.072     2.536     2.536 peak  1665 weight  1.00000E+00 volume  -4.14603E+04 ppm1      8.694 ppm2      4.325

 ASSI { 1667}
   (( segid "   A" and resid 85   and name  HN  ))
   (( segid "   A" and resid 84   and name  HB2 ))
      4.446     2.223     2.223 peak  1667 weight  1.00000E+00 volume  -9.14098E+04 ppm1      8.700 ppm2      2.520

 ASSI { 1668}
   (( segid "   A" and resid 85   and name  HN  ))
   (( segid "   A" and resid 69   and name  HB2 ))
      3.599     1.799     1.799 peak  1668 weight  1.00000E+00 volume  -1.12629E+04 ppm1      8.690 ppm2      1.747

 ASSI { 1669}
   (( segid "   A" and resid 86   and name  HN  ))
   (( segid "   A" and resid 69   and name  HB2 ))
      4.294     2.147     2.147 peak  1669 weight  1.00000E+00 volume  -1.12635E+05 ppm1      8.716 ppm2      1.746

 ASSI { 1670}
   (( segid "   A" and resid 84   and name  HB2 ))
   (( segid "   A" and resid 86   and name  HN  ))
      6.037     3.018     1.963 peak  1670 weight  1.00000E+00 volume  -1.35874E+04 ppm1      8.716 ppm2      2.517

 ASSI { 1671}
   (( segid "   A" and resid 86   and name  HN  ))
   (( segid "   A" and resid 85   and name  HB2 ))
      4.890     2.445     2.445 peak  1671 weight  1.00000E+00 volume  -9.74803E+03 ppm1      8.719 ppm2      2.637

 ASSI { 1672}
   (( segid "   A" and resid 86   and name  HN  ))
   (( segid "   A" and resid 85   and name  HB1 ))
      4.691     2.345     2.345 peak  1672 weight  1.00000E+00 volume  -1.60371E+04 ppm1      8.716 ppm2      2.791

 ASSI { 1673}
   (( segid "   A" and resid 86   and name  HN  ))
   (( segid "   A" and resid 86   and name  HA  ))
      3.384     1.664     1.692 peak  1673 weight  1.00000E+00 volume  -4.70607E+05 ppm1      8.717 ppm2      4.204

 ASSI { 1674}
   (( segid "   A" and resid 86   and name  HN  ))
   (( segid "   A" and resid 85   and name  HA  ))
      3.073     1.353     1.536 peak  1674 weight  1.00000E+00 volume  -8.39213E+05 ppm1      8.717 ppm2      4.325

 ASSI { 1676}
   (( segid "   A" and resid 88   and name  HN  ))
   (( segid "   A" and resid 86   and name  HN  ))
      5.372     2.686     2.628 peak  1676 weight  1.00000E+00 volume  -2.93798E+04 ppm1      8.718 ppm2      7.933

 ASSI { 1677}
   (( segid "   A" and resid 85   and name  HN  ))
   (( segid "   A" and resid 86   and name  HN  ))
      2.347     0.627     1.174 peak  1677 weight  1.00000E+00 volume  -4.22187E+06 ppm1      8.718 ppm2      8.690

 ASSI { 1679}
   (( segid "   A" and resid 85   and name  HN  ))
   (( segid "   A" and resid 87   and name  HN  ))
      3.092     1.372     1.546 peak  1679 weight  1.00000E+00 volume  -8.07480E+05 ppm1      8.066 ppm2      8.691

 ASSI { 1680}
   (( segid "   A" and resid 89   and name  HN  ))
   (( segid "   A" and resid 87   and name  HN  ))
      4.430     2.215     2.215 peak  1680 weight  1.00000E+00 volume  -9.34257E+04 ppm1      8.055 ppm2      7.662

 ASSI { 1681}
   (( segid "   A" and resid 87   and name  HN  ))
   (  segid "   A" and resid 88   and name  HD# )
      4.780     2.390     2.390 peak  1681 weight  1.00000E+00 volume  5.92382E+04 ppm1      8.066 ppm2      7.181

 ASSI { 1683}
   (( segid "   A" and resid 88   and name  HA  ))
   (( segid "   A" and resid 87   and name  HN  ))
      3.388     1.668     1.694 peak  1683 weight  1.00000E+00 volume  -1.85260E+04 ppm1      8.071 ppm2      4.424

 ASSI { 1685}
   (( segid "   A" and resid 87   and name  HN  ))
   (( segid "   A" and resid 86   and name  HA  ))
      4.299     2.150     2.150 peak  1685 weight  1.00000E+00 volume  -2.94240E+03 ppm1      8.065 ppm2      4.205

 ASSI { 1686}
   (( segid "   A" and resid 84   and name  HB2 ))
   (( segid "   A" and resid 87   and name  HN  ))
      3.839     1.920     1.920 peak  1686 weight  1.00000E+00 volume  -1.52844E+04 ppm1      8.063 ppm2      2.522

 ASSI { 1687}
   (( segid "   A" and resid 88   and name  HN  ))
   (( segid "   A" and resid 86   and name  HB2 ))
      3.615     1.808     1.808 peak  1687 weight  1.00000E+00 volume  -2.00360E+04 ppm1      7.935 ppm2      1.966

 ASSI { 1688}
   (( segid "   A" and resid 88   and name  HN  ))
   (( segid "   A" and resid 84   and name  HB2 ))
      4.308     2.154     2.154 peak  1688 weight  1.00000E+00 volume  -1.10438E+05 ppm1      7.939 ppm2      2.522

 ASSI { 1689}
   (( segid "   A" and resid 88   and name  HN  ))
   (( segid "   A" and resid 88   and name  HB1 ))
      4.230     2.115     2.115 peak  1689 weight  1.00000E+00 volume  -1.23207E+05 ppm1      7.936 ppm2      3.347

 ASSI { 1690}
   (( segid "   A" and resid 88   and name  HN  ))
   (( segid "   A" and resid 88   and name  HB2 ))
      3.882     1.941     1.941 peak  1690 weight  1.00000E+00 volume  -2.06515E+05 ppm1      7.934 ppm2      3.460

 ASSI { 1691}
   (( segid "   A" and resid 88   and name  HN  ))
   (( segid "   A" and resid 87   and name  HB2 ))
      4.756     2.378     2.378 peak  1691 weight  1.00000E+00 volume  -8.34311E+03 ppm1      7.944 ppm2      3.671

 ASSI { 1692}
   (( segid "   A" and resid 88   and name  HN  ))
   (( segid "   A" and resid 87   and name  HA  ))
      3.453     1.727     1.727 peak  1692 weight  1.00000E+00 volume  -1.68588E+04 ppm1      7.932 ppm2      4.315

 ASSI { 1695}
   (( segid "   A" and resid 88   and name  HN  ))
   (  segid "   A" and resid 88   and name  HD# )
      3.977     1.989     1.989 peak  1695 weight  1.00000E+00 volume  -1.78375E+05 ppm1      7.935 ppm2      7.182

 ASSI { 1696}
   (( segid "   A" and resid 88   and name  HN  ))
   (( segid "   A" and resid 87   and name  HN  ))
      3.342     1.622     1.671 peak  1696 weight  1.00000E+00 volume  -5.06551E+05 ppm1      7.935 ppm2      8.074

 ASSI { 1697}
   (( segid "   A" and resid 88   and name  HN  ))
   (( segid "   A" and resid 84   and name  HN  ))
      4.201     2.101     2.101 peak  1697 weight  1.00000E+00 volume  -1.28479E+05 ppm1      7.932 ppm2      8.679

 ASSI { 1698}
   (( segid "   A" and resid 89   and name  HN  ))
   (( segid "   A" and resid 90   and name  HN  ))
      4.371     2.185     2.185 peak  1698 weight  1.00000E+00 volume  -1.11874E+04 ppm1      7.661 ppm2      8.724

 ASSI { 1699}
   (( segid "   A" and resid 89   and name  HN  ))
   (( segid "   A" and resid 87   and name  HN  ))
      4.680     2.340     2.340 peak  1699 weight  1.00000E+00 volume  -6.72345E+04 ppm1      7.653 ppm2      8.076

 ASSI { 1700}
   (( segid "   A" and resid 89   and name  HN  ))
   (  segid "   A" and resid 88   and name  HD# )
      4.692     2.346     2.346 peak  1700 weight  1.00000E+00 volume  -1.86926E+03 ppm1      7.635 ppm2      7.184

 ASSI { 1701}
   (( segid "   A" and resid 83   and name  HA  ))
   (( segid "   A" and resid 89   and name  HN  ))
      5.104     2.552     2.552 peak  1701 weight  1.00000E+00 volume  5.32711E+02 ppm1      7.661 ppm2      5.163

 ASSI { 1702}
   (( segid "   A" and resid 89   and name  HN  ))
   (( segid "   A" and resid 88   and name  HA  ))
      2.992     1.272     1.496 peak  1702 weight  1.00000E+00 volume  -5.34520E+04 ppm1      7.659 ppm2      4.426

 ASSI { 1703}
   (( segid "   A" and resid 89   and name  HN  ))
   (( segid "   A" and resid 87   and name  HA  ))
      2.922     1.202     1.461 peak  1703 weight  1.00000E+00 volume  -8.08544E+04 ppm1      7.661 ppm2      4.313

 ASSI { 1705}
   (( segid "   A" and resid 89   and name  HN  ))
   (( segid "   A" and resid 88   and name  HB2 ))
      4.492     2.246     2.246 peak  1705 weight  1.00000E+00 volume  -8.65565E+03 ppm1      7.657 ppm2      3.460

 ASSI { 1706}
   (( segid "   A" and resid 89   and name  HN  ))
   (( segid "   A" and resid 88   and name  HB1 ))
      4.613     2.307     2.307 peak  1706 weight  1.00000E+00 volume  -7.32762E+04 ppm1      7.649 ppm2      3.349

 ASSI { 1707}
   (  segid "   A" and resid 81   and name  HG1#)
   (( segid "   A" and resid 90   and name  HN  ))
      3.900     1.950     1.950 peak  1707 weight  1.00000E+00 volume  -2.00777E+05 ppm1      8.725 ppm2      0.717

 ASSI { 1708}
   (( segid "   A" and resid 89   and name  HB1 ))
   (( segid "   A" and resid 90   and name  HN  ))
      4.453     2.227     2.227 peak  1708 weight  1.00000E+00 volume  -9.05556E+04 ppm1      8.724 ppm2      1.808

 ASSI { 1709}
   (( segid "   A" and resid 90   and name  HB2 ))
   (( segid "   A" and resid 90   and name  HN  ))
      3.732     1.866     1.866 peak  1709 weight  1.00000E+00 volume  -2.61598E+05 ppm1      8.725 ppm2      1.952

 ASSI { 1710}
   (( segid "   A" and resid 89   and name  HB2 ))
   (( segid "   A" and resid 90   and name  HN  ))
      3.713     1.857     1.857 peak  1710 weight  1.00000E+00 volume  -1.26515E+04 ppm1      8.722 ppm2      2.002

 ASSI { 1711}
   (( segid "   A" and resid 89   and name  HG2 ))
   (( segid "   A" and resid 90   and name  HN  ))
      4.692     2.346     2.346 peak  1711 weight  1.00000E+00 volume  -5.46805E+03 ppm1      8.736 ppm2      2.254

 ASSI { 1712}
   (( segid "   A" and resid 84   and name  HB2 ))
   (( segid "   A" and resid 90   and name  HN  ))
      4.489     2.245     2.245 peak  1712 weight  1.00000E+00 volume  -8.60172E+03 ppm1      8.737 ppm2      2.520

 ASSI { 1713}
   (( segid "   A" and resid 88   and name  HB1 ))
   (( segid "   A" and resid 90   and name  HN  ))
      4.679     2.339     2.339 peak  1713 weight  1.00000E+00 volume  -5.16921E+03 ppm1      8.726 ppm2      3.348

 ASSI { 1714}
   (( segid "   A" and resid 88   and name  HB2 ))
   (( segid "   A" and resid 90   and name  HN  ))
      7.476     3.738     0.524 peak  1714 weight  1.00000E+00 volume  -8.42414E+02 ppm1      8.726 ppm2      3.474

 ASSI { 1715}
   (( segid "   A" and resid 89   and name  HA  ))
   (( segid "   A" and resid 90   and name  HN  ))
      3.928     1.964     1.964 peak  1715 weight  1.00000E+00 volume  -1.92212E+05 ppm1      8.728 ppm2      4.342

 ASSI { 1717}
   (( segid "   A" and resid 91   and name  HA  ))
   (( segid "   A" and resid 90   and name  HN  ))
      3.971     1.986     1.986 peak  1717 weight  1.00000E+00 volume  -1.80009E+05 ppm1      8.726 ppm2      4.571

 ASSI { 1718}
   (( segid "   A" and resid 90   and name  HA  ))
   (( segid "   A" and resid 90   and name  HN  ))
      4.392     2.196     2.196 peak  1718 weight  1.00000E+00 volume  -9.84100E+04 ppm1      8.722 ppm2      5.435

 ASSI { 1720}
   (( segid "   A" and resid 84   and name  HN  ))
   (( segid "   A" and resid 90   and name  HN  ))
      3.976     1.988     1.988 peak  1720 weight  1.00000E+00 volume  -1.78723E+05 ppm1      8.724 ppm2      8.681

 ASSI { 1721}
   (( segid "   A" and resid 91   and name  HN  ))
   (( segid "   A" and resid 90   and name  HN  ))
      4.512     2.256     2.256 peak  1721 weight  1.00000E+00 volume  -8.36827E+04 ppm1      8.725 ppm2      8.930

 ASSI { 1723}
   (( segid "   A" and resid 83   and name  HN  ))
   (( segid "   A" and resid 91   and name  HN  ))
      6.810     3.405     1.190 peak  1723 weight  1.00000E+00 volume  7.08066E+03 ppm1      8.925 ppm2      9.324

 ASSI { 1724}
   (( segid "   A" and resid 82   and name  HN  ))
   (( segid "   A" and resid 91   and name  HN  ))
      3.062     1.342     1.531 peak  1724 weight  1.00000E+00 volume  -8.57472E+05 ppm1      8.930 ppm2      9.064

 ASSI { 1725}
   (( segid "   A" and resid 91   and name  HN  ))
   (( segid "   A" and resid 90   and name  HN  ))
      7.375     3.688     0.625 peak  1725 weight  1.00000E+00 volume  4.38777E+03 ppm1      8.931 ppm2      8.725

 ASSI { 1726}
   (( segid "   A" and resid 91   and name  HN  ))
   (( segid "   A" and resid 84   and name  HN  ))
      4.826     2.413     2.413 peak  1726 weight  1.00000E+00 volume  5.59073E+04 ppm1      8.931 ppm2      8.682

 ASSI { 1727}
   (( segid "   A" and resid 91   and name  HN  ))
   (( segid "   A" and resid 92   and name  HN  ))
      3.964     1.982     1.982 peak  1727 weight  1.00000E+00 volume  1.81899E+05 ppm1      8.925 ppm2      8.233

 ASSI { 1728}
   (( segid "   A" and resid 91   and name  HN  ))
   (( segid "   A" and resid 92   and name  HA  ))
      5.572     2.786     2.428 peak  1728 weight  1.00000E+00 volume  -2.35961E+04 ppm1      8.935 ppm2      5.590

 ASSI { 1729}
   (( segid "   A" and resid 91   and name  HN  ))
   (( segid "   A" and resid 82   and name  HA  ))
      3.643     1.821     1.821 peak  1729 weight  1.00000E+00 volume  -3.02245E+05 ppm1      8.926 ppm2      5.365

 ASSI { 1730}
   (( segid "   A" and resid 91   and name  HN  ))
   (( segid "   A" and resid 81   and name  HA  ))
      8.000     4.000     0.000 peak  1730 weight  1.00000E+00 volume  -1.26193E+04 ppm1      8.925 ppm2      4.436

 ASSI { 1731}
   (( segid "   A" and resid 91   and name  HN  ))
   (( segid "   A" and resid 89   and name  HA  ))
      4.228     2.114     2.114 peak  1731 weight  1.00000E+00 volume  -1.62391E+03 ppm1      8.922 ppm2      4.385

 ASSI { 1732}
   (( segid "   A" and resid 92   and name  HN  ))
   (  segid "   A" and resid 81   and name  HG1#)
      4.409     2.205     2.205 peak  1732 weight  1.00000E+00 volume  -8.40754E+03 ppm1      8.255 ppm2      0.716

 ASSI { 1733}
   (( segid "   A" and resid 92   and name  HN  ))
   (( segid "   A" and resid 91   and name  HB  ))
      4.399     2.200     2.200 peak  1733 weight  1.00000E+00 volume  -1.15334E+04 ppm1      8.245 ppm2      3.759

 ASSI { 1734}
   (( segid "   A" and resid 92   and name  HN  ))
   (( segid "   A" and resid 81   and name  HA  ))
      4.194     2.097     2.097 peak  1734 weight  1.00000E+00 volume  -7.53716E+03 ppm1      8.253 ppm2      4.440

 ASSI { 1735}
   (( segid "   A" and resid 91   and name  HN  ))
   (( segid "   A" and resid 92   and name  HN  ))
      4.860     2.430     2.430 peak  1735 weight  1.00000E+00 volume  -9.36719E+03 ppm1      8.253 ppm2      8.931

 ASSI { 1736}
   (( segid "   A" and resid 82   and name  HN  ))
   (( segid "   A" and resid 92   and name  HN  ))
      6.784     3.392     1.216 peak  1736 weight  1.00000E+00 volume  -7.07688E+03 ppm1      8.249 ppm2      9.020

 ASSI { 1737}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 92   and name  HN  ))
      4.262     2.131     2.131 peak  1737 weight  1.00000E+00 volume  -1.09539E+04 ppm1      8.261 ppm2      9.252

 ASSI { 1738}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 82   and name  HN  ))
      4.046     2.023     2.023 peak  1738 weight  1.00000E+00 volume  -1.30756E+04 ppm1      9.248 ppm2      9.063

 ASSI { 1739}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 94   and name  HN  ))
      5.109     2.554     2.554 peak  1739 weight  1.00000E+00 volume  -4.52637E+03 ppm1      9.260 ppm2      8.494

 ASSI { 1740}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 94   and name  HA  ))
      4.507     2.254     2.254 peak  1740 weight  1.00000E+00 volume  -6.30052E+03 ppm1      9.252 ppm2      5.253

 ASSI { 1741}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 79   and name  HA  ))
      4.205     2.102     2.102 peak  1741 weight  1.00000E+00 volume  -6.95736E+03 ppm1      9.244 ppm2      5.190

 ASSI { 1742}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 80   and name  HA  ))
      4.724     2.362     2.362 peak  1742 weight  1.00000E+00 volume  -2.96481E+03 ppm1      9.261 ppm2      4.543

 ASSI { 1743}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 81   and name  HA  ))
      4.190     2.095     2.095 peak  1743 weight  1.00000E+00 volume  -1.30604E+05 ppm1      9.248 ppm2      4.439

 ASSI { 1744}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 80   and name  HB1 ))
      4.906     2.453     2.453 peak  1744 weight  1.00000E+00 volume  -5.96191E+03 ppm1      9.247 ppm2      2.954

 ASSI { 1745}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 80   and name  HB2 ))
      4.582     2.291     2.291 peak  1745 weight  1.00000E+00 volume  -7.62741E+04 ppm1      9.257 ppm2      2.873

 ASSI { 1746}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 79   and name  HB2 ))
      4.595     2.298     2.298 peak  1746 weight  1.00000E+00 volume  -7.49963E+04 ppm1      9.259 ppm2      2.816

 ASSI { 1747}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 79   and name  HB1 ))
      8.000     4.000     0.000 peak  1747 weight  1.00000E+00 volume  -2.36761E+03 ppm1      9.251 ppm2      2.444

 ASSI { 1748}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 92   and name  HB2 ))
      3.448     1.724     1.724 peak  1748 weight  1.00000E+00 volume  -2.17276E+04 ppm1      9.248 ppm2      1.901

 ASSI { 1749}
   (( segid "   A" and resid 93   and name  HN  ))
   (  segid "   A" and resid 91   and name  HG2#)
      4.889     2.444     2.444 peak  1749 weight  1.00000E+00 volume  -7.97678E+03 ppm1      9.247 ppm2      0.958

 ASSI { 1751}
   (( segid "   A" and resid 93   and name  HN  ))
   (  segid "   A" and resid 98   and name  HD1#)
      3.449     1.724     1.724 peak  1751 weight  1.00000E+00 volume  -4.19711E+05 ppm1      9.250 ppm2      0.672

 ASSI { 1752}
   (( segid "   A" and resid 94   and name  HN  ))
   (( segid "   A" and resid 93   and name  HB1 ))
      3.598     1.799     1.799 peak  1752 weight  1.00000E+00 volume  -3.25551E+05 ppm1      8.490 ppm2      1.682

 ASSI { 1753}
   (( segid "   A" and resid 95   and name  HN  ))
   (( segid "   A" and resid 94   and name  HN  ))
      4.134     2.067     2.067 peak  1753 weight  1.00000E+00 volume  -1.41548E+05 ppm1      8.494 ppm2      8.759

 ASSI { 1754}
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 94   and name  HN  ))
      4.428     2.214     2.214 peak  1754 weight  1.00000E+00 volume  -9.36407E+04 ppm1      8.493 ppm2      9.254

 ASSI { 1755}
   (( segid "   A" and resid 95   and name  HN  ))
   (( segid "   A" and resid 94   and name  HN  ))
      5.843     2.921     2.157 peak  1755 weight  1.00000E+00 volume  1.77532E+04 ppm1      8.760 ppm2      8.496

 ASSI { 1757}
   (( segid "   A" and resid 95   and name  HN  ))
   (( segid "   A" and resid 78   and name  HB2 ))
      4.728     2.364     2.364 peak  1757 weight  1.00000E+00 volume  6.32561E+04 ppm1      8.775 ppm2      2.920

 ASSI { 1758}
   (( segid "   A" and resid 95   and name  HN  ))
   (( segid "   A" and resid 78   and name  HB1 ))
      4.191     2.096     2.096 peak  1758 weight  1.00000E+00 volume  3.52628E+03 ppm1      8.757 ppm2      2.545

 ASSI { 1759}
   (( segid "   A" and resid 95   and name  HN  ))
   (  segid "   A" and resid 98   and name  HD1#)
      3.748     1.874     1.874 peak  1759 weight  1.00000E+00 volume  -8.82369E+03 ppm1      8.753 ppm2      0.666

 ASSI { 1761}
   (( segid "   A" and resid 98   and name  HB2 ))
   (( segid "   A" and resid 96   and name  HN  ))
      4.490     2.245     2.245 peak  1761 weight  1.00000E+00 volume  -8.61568E+04 ppm1      8.345 ppm2      1.603

 ASSI { 1763}
   (( segid "   A" and resid 95   and name  HB2 ))
   (( segid "   A" and resid 96   and name  HN  ))
      4.400     2.200     2.200 peak  1763 weight  1.00000E+00 volume  -5.49470E+03 ppm1      8.355 ppm2      4.040

 ASSI { 1764}
   (( segid "   A" and resid 94   and name  HB2 ))
   (( segid "   A" and resid 96   and name  HN  ))
      4.400     2.200     2.200 peak  1764 weight  1.00000E+00 volume  -5.49470E+03 ppm1      8.355 ppm2      4.047

 ASSI { 1765}
   (( segid "   A" and resid 95   and name  HA  ))
   (( segid "   A" and resid 96   and name  HN  ))
      3.724     1.862     1.862 peak  1765 weight  1.00000E+00 volume  -7.71282E+03 ppm1      8.355 ppm2      4.616

 ASSI { 1766}
   (( segid "   A" and resid 97   and name  HN  ))
   (( segid "   A" and resid 96   and name  HN  ))
      4.268     2.134     2.134 peak  1766 weight  1.00000E+00 volume  -1.16840E+05 ppm1      8.351 ppm2      7.874

 ASSI { 1767}
   (( segid "   A" and resid 99   and name  HN  ))
   (( segid "   A" and resid 97   and name  HN  ))
      4.765     2.383     2.383 peak  1767 weight  1.00000E+00 volume  -6.03069E+04 ppm1      7.874 ppm2      7.225

 ASSI { 1768}
   (( segid "   A" and resid 97   and name  HN  ))
   (( segid "   A" and resid 95   and name  HA  ))
      3.439     1.719     1.720 peak  1768 weight  1.00000E+00 volume  -4.26625E+05 ppm1      7.874 ppm2      4.618

 ASSI { 1769}
   (( segid "   A" and resid 97   and name  HN  ))
   (( segid "   A" and resid 96   and name  HA  ))
      2.779     1.059     1.390 peak  1769 weight  1.00000E+00 volume  -1.12406E+05 ppm1      7.875 ppm2      4.282

 ASSI { 1770}
   (( segid "   A" and resid 97   and name  HN  ))
   (  segid "   A" and resid 93   and name  HD1#)
      4.963     2.482     2.482 peak  1770 weight  1.00000E+00 volume  -8.66407E+03 ppm1      7.873 ppm2      0.547

 ASSI { 1772}
   (( segid "   A" and resid 98   and name  HN  ))
   (( segid "   A" and resid 99   and name  HB2 ))
      4.066     2.033     2.033 peak  1772 weight  1.00000E+00 volume  -6.45222E+03 ppm1      7.430 ppm2      1.765

 ASSI { 1773}
   (( segid "   A" and resid 98   and name  HN  ))
   (( segid "   A" and resid 96   and name  HB2 ))
      7.583     3.792     0.417 peak  1773 weight  1.00000E+00 volume  3.45689E+03 ppm1      7.435 ppm2      2.462

 ASSI { 1774}
   (( segid "   A" and resid 98   and name  HN  ))
   (( segid "   A" and resid 97   and name  HA  ))
      3.209     1.489     1.605 peak  1774 weight  1.00000E+00 volume  -4.86586E+04 ppm1      7.423 ppm2      4.274

 ASSI { 1775}
   (( segid "   A" and resid 98   and name  HN  ))
   (( segid "   A" and resid 95   and name  HA  ))
      4.275     2.138     2.138 peak  1775 weight  1.00000E+00 volume  -1.15645E+05 ppm1      7.421 ppm2      4.659

 ASSI { 1776}
   (( segid "   A" and resid 99   and name  HN  ))
   (( segid "   A" and resid 101  and name  HN  ))
      6.488     3.244     1.512 peak  1776 weight  1.00000E+00 volume  9.46424E+03 ppm1      7.238 ppm2      8.909

 ASSI { 1778}
   (( segid "   A" and resid 99   and name  HN  ))
   (( segid "   A" and resid 102  and name  HN  ))
      4.658     2.329     2.329 peak  1778 weight  1.00000E+00 volume  6.50802E+03 ppm1      7.215 ppm2      7.929

 ASSI { 1779}
   (( segid "   A" and resid 99   and name  HN  ))
   (( segid "   A" and resid 97   and name  HN  ))
      7.472     3.736     0.528 peak  1779 weight  1.00000E+00 volume  -1.20094E+02 ppm1      7.217 ppm2      7.881

 ASSI { 1780}
   (( segid "   A" and resid 99   and name  HN  ))
   (( segid "   A" and resid 95   and name  HA  ))
      3.466     1.733     1.733 peak  1780 weight  1.00000E+00 volume  -4.07635E+05 ppm1      7.222 ppm2      4.641

 ASSI { 1781}
   (( segid "   A" and resid 99   and name  HN  ))
   (( segid "   A" and resid 96   and name  HA  ))
      3.470     1.735     1.735 peak  1781 weight  1.00000E+00 volume  -4.04734E+05 ppm1      7.220 ppm2      4.292

 ASSI { 1782}
   (( segid "   A" and resid 99   and name  HN  ))
   (( segid "   A" and resid 97   and name  HA  ))
      3.470     1.735     1.735 peak  1782 weight  1.00000E+00 volume  -4.04734E+05 ppm1      7.220 ppm2      4.274

 ASSI { 1783}
   (( segid "   A" and resid 99   and name  HN  ))
   (( segid "   A" and resid 95   and name  HB2 ))
      4.959     2.479     2.479 peak  1783 weight  1.00000E+00 volume  4.74920E+04 ppm1      7.211 ppm2      4.040

 ASSI { 1785}
   (( segid "   A" and resid 99   and name  HN  ))
   (( segid "   A" and resid 98   and name  HB2 ))
      3.103     1.383     1.551 peak  1785 weight  1.00000E+00 volume  -7.91311E+05 ppm1      7.219 ppm2      1.600

 ASSI { 1787}
   (( segid "   A" and resid 99   and name  HN  ))
   (  segid "   A" and resid 102  and name  HD1#)
      3.328     1.608     1.664 peak  1787 weight  1.00000E+00 volume  -3.74297E+04 ppm1      7.224 ppm2      0.692

 ASSI { 1788}
   (( segid "   A" and resid 99   and name  HG2 ))
   (( segid "   A" and resid 100  and name  HN  ))
      4.136     2.068     2.068 peak  1788 weight  1.00000E+00 volume  -1.41092E+05 ppm1      8.551 ppm2      1.401

 ASSI { 1789}
   (( segid "   A" and resid 99   and name  HB2 ))
   (( segid "   A" and resid 100  and name  HN  ))
      3.873     1.936     1.936 peak  1789 weight  1.00000E+00 volume  -2.09340E+05 ppm1      8.554 ppm2      1.790

 ASSI { 1790}
   (( segid "   A" and resid 100  and name  HN  ))
   (( segid "   A" and resid 100  and name  HB2 ))
      3.497     1.748     1.748 peak  1790 weight  1.00000E+00 volume  -2.10712E+04 ppm1      8.549 ppm2      1.915

 ASSI { 1791}
   (( segid "   A" and resid 99   and name  HA  ))
   (( segid "   A" and resid 100  and name  HN  ))
      4.124     2.062     2.062 peak  1791 weight  1.00000E+00 volume  -1.43615E+05 ppm1      8.557 ppm2      3.849

 ASSI { 1792}
   (( segid "   A" and resid 100  and name  HA  ))
   (( segid "   A" and resid 100  and name  HN  ))
      3.947     1.973     1.973 peak  1792 weight  1.00000E+00 volume  -1.09469E+04 ppm1      8.550 ppm2      3.998

 ASSI { 1793}
   (( segid "   A" and resid 97   and name  HA  ))
   (( segid "   A" and resid 100  and name  HN  ))
      4.724     2.362     2.362 peak  1793 weight  1.00000E+00 volume  -5.74962E+03 ppm1      8.552 ppm2      4.269

 ASSI { 1794}
   (( segid "   A" and resid 96   and name  HA  ))
   (( segid "   A" and resid 100  and name  HN  ))
      4.724     2.362     2.362 peak  1794 weight  1.00000E+00 volume  -5.74962E+03 ppm1      8.552 ppm2      4.280

 ASSI { 1795}
   (( segid "   A" and resid 98   and name  HA  ))
   (( segid "   A" and resid 100  and name  HN  ))
      3.604     1.802     1.802 peak  1795 weight  1.00000E+00 volume  -1.36263E+04 ppm1      8.548 ppm2      4.833

 ASSI { 1796}
   (( segid "   A" and resid 99   and name  HN  ))
   (( segid "   A" and resid 100  and name  HN  ))
      4.579     2.290     2.290 peak  1796 weight  1.00000E+00 volume  -6.46764E+03 ppm1      8.546 ppm2      7.220

 ASSI { 1797}
   (( segid "   A" and resid 98   and name  HN  ))
   (( segid "   A" and resid 100  and name  HN  ))
      4.500     2.250     2.250 peak  1797 weight  1.00000E+00 volume  -7.54536E+03 ppm1      8.560 ppm2      7.418

 ASSI { 1798}
   (( segid "   A" and resid 101  and name  HN  ))
   (( segid "   A" and resid 100  and name  HN  ))
      4.450     2.225     2.225 peak  1798 weight  1.00000E+00 volume  -8.79336E+03 ppm1      8.554 ppm2      8.900

 ASSI { 1799}
   (( segid "   A" and resid 101  and name  HN  ))
   (( segid "   A" and resid 100  and name  HN  ))
      4.756     2.378     2.378 peak  1799 weight  1.00000E+00 volume  6.82720E+03 ppm1      8.898 ppm2      8.574

 ASSI { 1800}
   (( segid "   A" and resid 103  and name  HN  ))
   (( segid "   A" and resid 101  and name  HN  ))
      4.737     2.369     2.369 peak  1800 weight  1.00000E+00 volume  -1.00145E+04 ppm1      8.905 ppm2      7.318

 ASSI { 1801}
   (( segid "   A" and resid 99   and name  HN  ))
   (( segid "   A" and resid 101  and name  HN  ))
      4.625     2.313     2.313 peak  1801 weight  1.00000E+00 volume  -8.92090E+03 ppm1      8.904 ppm2      7.225

 ASSI { 1802}
   (( segid "   A" and resid 101  and name  HN  ))
   (( segid "   A" and resid 98   and name  HA  ))
      3.998     1.999     1.999 peak  1802 weight  1.00000E+00 volume  -1.30281E+04 ppm1      8.908 ppm2      4.834

 ASSI { 1804}
   (( segid "   A" and resid 101  and name  HA  ))
   (( segid "   A" and resid 101  and name  HN  ))
      3.049     1.329     1.524 peak  1804 weight  1.00000E+00 volume  -5.42656E+04 ppm1      8.907 ppm2      3.963

 ASSI { 1805}
   (( segid "   A" and resid 101  and name  HN  ))
   (( segid "   A" and resid 99   and name  HA  ))
      3.971     1.986     1.986 peak  1805 weight  1.00000E+00 volume  -1.80002E+05 ppm1      8.906 ppm2      3.848

 ASSI { 1806}
   (( segid "   A" and resid 102  and name  HA  ))
   (( segid "   A" and resid 101  and name  HN  ))
      3.887     1.943     1.943 peak  1806 weight  1.00000E+00 volume  -2.04865E+05 ppm1      8.905 ppm2      3.812

 ASSI { 1807}
   (( segid "   A" and resid 101  and name  HN  ))
   (( segid "   A" and resid 101  and name  HB2 ))
      2.975     1.255     1.487 peak  1807 weight  1.00000E+00 volume  -6.42181E+04 ppm1      8.909 ppm2      2.246

 ASSI { 1808}
   (( segid "   A" and resid 101  and name  HN  ))
   (( segid "   A" and resid 101  and name  HB1 ))
      3.004     1.284     1.502 peak  1808 weight  1.00000E+00 volume  -5.74787E+04 ppm1      8.905 ppm2      2.069

 ASSI { 1809}
   (( segid "   A" and resid 101  and name  HN  ))
   (( segid "   A" and resid 100  and name  HB2 ))
      2.932     1.212     1.466 peak  1809 weight  1.00000E+00 volume  -5.26748E+04 ppm1      8.907 ppm2      1.912

 ASSI { 1810}
   (( segid "   A" and resid 101  and name  HN  ))
   (( segid "   A" and resid 99   and name  HB2 ))
      3.455     1.728     1.728 peak  1810 weight  1.00000E+00 volume  -1.21494E+04 ppm1      8.906 ppm2      1.791

 ASSI { 1812}
   (( segid "   A" and resid 101  and name  HN  ))
   (  segid "   A" and resid 98   and name  HD1#)
      3.590     1.795     1.795 peak  1812 weight  1.00000E+00 volume  -1.82793E+04 ppm1      8.903 ppm2      0.668

 ASSI { 1813}
   (( segid "   A" and resid 102  and name  HN  ))
   (  segid "   A" and resid 98   and name  HD1#)
      3.185     1.465     1.593 peak  1813 weight  1.00000E+00 volume  -6.75996E+05 ppm1      7.928 ppm2      0.666

 ASSI { 1814}
   (( segid "   A" and resid 102  and name  HN  ))
   (( segid "   A" and resid 100  and name  HB2 ))
      5.020     2.510     2.510 peak  1814 weight  1.00000E+00 volume  -4.41339E+04 ppm1      7.925 ppm2      1.909

 ASSI { 1815}
   (( segid "   A" and resid 102  and name  HN  ))
   (( segid "   A" and resid 101  and name  HB1 ))
      3.521     1.761     1.761 peak  1815 weight  1.00000E+00 volume  -3.70607E+05 ppm1      7.926 ppm2      2.067

 ASSI { 1816}
   (( segid "   A" and resid 102  and name  HN  ))
   (( segid "   A" and resid 101  and name  HB2 ))
      4.984     2.492     2.492 peak  1816 weight  1.00000E+00 volume  -4.60770E+04 ppm1      7.926 ppm2      2.245

 ASSI { 1817}
   (( segid "   A" and resid 102  and name  HN  ))
   (( segid "   A" and resid 103  and name  HB2 ))
      4.005     2.002     2.002 peak  1817 weight  1.00000E+00 volume  -1.71203E+05 ppm1      7.928 ppm2      2.889

 ASSI { 1818}
   (( segid "   A" and resid 102  and name  HN  ))
   (( segid "   A" and resid 99   and name  HA  ))
      3.064     1.344     1.532 peak  1818 weight  1.00000E+00 volume  -8.54063E+05 ppm1      7.927 ppm2      3.850

 ASSI { 1819}
   (( segid "   A" and resid 101  and name  HA  ))
   (( segid "   A" and resid 102  and name  HN  ))
      3.529     1.765     1.765 peak  1819 weight  1.00000E+00 volume  -3.65552E+05 ppm1      7.926 ppm2      3.963

 ASSI { 1820}
   (( segid "   A" and resid 102  and name  HN  ))
   (( segid "   A" and resid 100  and name  HA  ))
      3.608     1.804     1.804 peak  1820 weight  1.00000E+00 volume  -1.74102E+04 ppm1      7.926 ppm2      3.995

 ASSI { 1821}
   (( segid "   A" and resid 102  and name  HN  ))
   (( segid "   A" and resid 98   and name  HA  ))
      3.491     1.746     1.746 peak  1821 weight  1.00000E+00 volume  -1.14659E+04 ppm1      7.931 ppm2      4.826

 ASSI { 1822}
   (( segid "   A" and resid 99   and name  HN  ))
   (( segid "   A" and resid 102  and name  HN  ))
      4.197     2.099     2.099 peak  1822 weight  1.00000E+00 volume  -1.29215E+05 ppm1      7.945 ppm2      7.224

 ASSI { 1823}
   (( segid "   A" and resid 103  and name  HN  ))
   (( segid "   A" and resid 101  and name  HN  ))
      8.000     4.000     0.000 peak  1823 weight  1.00000E+00 volume  -1.14891E+03 ppm1      7.324 ppm2      8.911

 ASSI { 1824}
   (( segid "   A" and resid 104  and name  HN  ))
   (( segid "   A" and resid 103  and name  HN  ))
      2.459     0.739     1.229 peak  1824 weight  1.00000E+00 volume  -1.98001E+05 ppm1      7.316 ppm2      7.331

 ASSI { 1825}
   (( segid "   A" and resid 103  and name  HN  ))
   (( segid "   A" and resid 100  and name  HA  ))
      2.987     1.267     1.494 peak  1825 weight  1.00000E+00 volume  -9.93663E+05 ppm1      7.316 ppm2      3.993

 ASSI { 1826}
   (( segid "   A" and resid 101  and name  HA  ))
   (( segid "   A" and resid 103  and name  HN  ))
      3.407     1.687     1.704 peak  1826 weight  1.00000E+00 volume  -4.51305E+05 ppm1      7.312 ppm2      3.965

 ASSI { 1827}
   (( segid "   A" and resid 102  and name  HA  ))
   (( segid "   A" and resid 103  and name  HN  ))
      3.676     1.838     1.838 peak  1827 weight  1.00000E+00 volume  -2.86233E+05 ppm1      7.317 ppm2      3.812

 ASSI { 1828}
   (( segid "   A" and resid 103  and name  HN  ))
   (( segid "   A" and resid 102  and name  HB2 ))
      4.134     2.067     2.067 peak  1828 weight  1.00000E+00 volume  -5.38878E+03 ppm1      7.310 ppm2      1.531

 ASSI { 1829}
   (( segid "   A" and resid 103  and name  HN  ))
   (  segid "   A" and resid 102  and name  HD1#)
      5.771     2.885     2.229 peak  1829 weight  1.00000E+00 volume  -8.84057E+03 ppm1      7.314 ppm2      0.709

 ASSI { 1830}
   (( segid "   A" and resid 104  and name  HN  ))
   (  segid "   A" and resid 102  and name  HD1#)
      4.498     2.249     2.249 peak  1830 weight  1.00000E+00 volume  -7.46222E+03 ppm1      7.333 ppm2      0.701

 ASSI { 1831}
   (  segid "   A" and resid 131  and name  HD1#)
   (( segid "   A" and resid 104  and name  HN  ))
      3.947     1.974     1.974 peak  1831 weight  1.00000E+00 volume  -6.57498E+03 ppm1      7.337 ppm2      0.800

 ASSI { 1832}
   (  segid "   A" and resid 156  and name  HG2#)
   (( segid "   A" and resid 104  and name  HN  ))
      2.968     1.248     1.484 peak  1832 weight  1.00000E+00 volume  -3.70528E+04 ppm1      7.326 ppm2      1.168

 ASSI { 1834}
   (( segid "   A" and resid 158  and name  HB2 ))
   (( segid "   A" and resid 104  and name  HN  ))
      7.452     3.726     0.548 peak  1834 weight  1.00000E+00 volume  3.02892E+03 ppm1      7.332 ppm2      3.078

 ASSI { 1835}
   (( segid "   A" and resid 104  and name  HN  ))
   (( segid "   A" and resid 104  and name  HB2 ))
      4.067     2.033     2.033 peak  1835 weight  1.00000E+00 volume  -1.16698E+04 ppm1      7.326 ppm2      3.159

 ASSI { 1836}
   (( segid "   A" and resid 104  and name  HN  ))
   (( segid "   A" and resid 156  and name  HB  ))
      4.568     2.284     2.284 peak  1836 weight  1.00000E+00 volume  -2.96088E+03 ppm1      7.330 ppm2      3.815

 ASSI { 1838}
   (( segid "   A" and resid 104  and name  HN  ))
   (( segid "   A" and resid 103  and name  HA  ))
      3.299     1.579     1.649 peak  1838 weight  1.00000E+00 volume  -2.26446E+04 ppm1      7.323 ppm2      4.012

 ASSI { 1839}
   (( segid "   A" and resid 156  and name  HA  ))
   (( segid "   A" and resid 104  and name  HN  ))
      5.594     2.797     2.406 peak  1839 weight  1.00000E+00 volume  -2.30390E+04 ppm1      7.322 ppm2      4.477

 ASSI { 1840}
   (( segid "   A" and resid 104  and name  HN  ))
   (( segid "   A" and resid 103  and name  HN  ))
      2.411     0.691     1.206 peak  1840 weight  1.00000E+00 volume  -3.59452E+06 ppm1      7.330 ppm2      7.308

 ASSI { 1842}
   (( segid "   A" and resid 106  and name  HN  ))
   (( segid "   A" and resid 105  and name  HN  ))
      4.334     2.167     2.167 peak  1842 weight  1.00000E+00 volume  -6.17344E+03 ppm1      6.712 ppm2      7.127

 ASSI { 1843}
   (( segid "   A" and resid 105  and name  HN  ))
   (( segid "   A" and resid 104  and name  HA  ))
      4.145     2.073     2.073 peak  1843 weight  1.00000E+00 volume  -1.01916E+04 ppm1      6.702 ppm2      4.715

 ASSI { 1844}
   (( segid "   A" and resid 105  and name  HN  ))
   (( segid "   A" and resid 103  and name  HA  ))
      4.132     2.066     2.066 peak  1844 weight  1.00000E+00 volume  -1.53338E+04 ppm1      6.713 ppm2      3.990

 ASSI { 1845}
   (( segid "   A" and resid 105  and name  HN  ))
   (( segid "   A" and resid 104  and name  HB2 ))
      3.850     1.925     1.925 peak  1845 weight  1.00000E+00 volume  -1.63570E+04 ppm1      6.710 ppm2      3.163

 ASSI { 1846}
   (( segid "   A" and resid 105  and name  HN  ))
   (( segid "   A" and resid 102  and name  HB2 ))
      4.686     2.343     2.343 peak  1846 weight  1.00000E+00 volume  2.57874E+03 ppm1      6.710 ppm2      1.490

 ASSI { 1847}
   (  segid "   A" and resid 156  and name  HG2#)
   (( segid "   A" and resid 105  and name  HN  ))
      2.789     1.069     1.395 peak  1847 weight  1.00000E+00 volume  -1.49923E+06 ppm1      6.715 ppm2      1.165

 ASSI { 1848}
   (  segid "   A" and resid 131  and name  HD1#)
   (( segid "   A" and resid 105  and name  HN  ))
      3.795     1.898     1.898 peak  1848 weight  1.00000E+00 volume  -2.36349E+05 ppm1      6.712 ppm2      0.837

 ASSI { 1849}
   (( segid "   A" and resid 105  and name  HN  ))
   (  segid "   A" and resid 102  and name  HD1#)
      6.252     3.126     1.748 peak  1849 weight  1.00000E+00 volume  -1.18217E+04 ppm1      6.714 ppm2      0.688

 ASSI { 1850}
   (  segid "   A" and resid 129  and name  HG2#)
   (( segid "   A" and resid 106  and name  HN  ))
      4.172     2.086     2.086 peak  1850 weight  1.00000E+00 volume  -1.33915E+05 ppm1      7.114 ppm2      0.700

 ASSI { 1851}
   (  segid "   A" and resid 129  and name  HG1#)
   (( segid "   A" and resid 106  and name  HN  ))
      3.708     1.854     1.854 peak  1851 weight  1.00000E+00 volume  -2.71787E+05 ppm1      7.125 ppm2      0.903

 ASSI { 1852}
   (( segid "   A" and resid 106  and name  HN  ))
   (( segid "   A" and resid 105  and name  HB2 ))
      3.777     1.888     1.888 peak  1852 weight  1.00000E+00 volume  -2.43312E+05 ppm1      7.129 ppm2      1.217

 ASSI { 1853}
   (( segid "   A" and resid 109  and name  HB1 ))
   (( segid "   A" and resid 106  and name  HN  ))
      3.929     1.964     1.964 peak  1853 weight  1.00000E+00 volume  -1.92074E+05 ppm1      7.129 ppm2      2.117

 ASSI { 1855}
   (( segid "   A" and resid 106  and name  HN  ))
   (( segid "   A" and resid 105  and name  HN  ))
      4.259     2.129     2.129 peak  1855 weight  1.00000E+00 volume  -9.97852E+03 ppm1      7.127 ppm2      6.719

 ASSI { 1857}
   (( segid "   A" and resid 107  and name  HN  ))
   (( segid "   A" and resid 106  and name  HN  ))
      8.000     4.000     0.000 peak  1857 weight  1.00000E+00 volume  -6.01779E+03 ppm1      7.121 ppm2      9.064

 ASSI { 1859}
   (( segid "   A" and resid 107  and name  HN  ))
   (( segid "   A" and resid 106  and name  HN  ))
      6.195     3.098     1.805 peak  1859 weight  1.00000E+00 volume  -1.24898E+04 ppm1      9.088 ppm2      7.130

 ASSI { 1860}
   (( segid "   A" and resid 107  and name  HN  ))
   (( segid "   A" and resid 106  and name  HA  ))
      2.587     0.867     1.293 peak  1860 weight  1.00000E+00 volume  -2.35794E+06 ppm1      9.090 ppm2      4.647

 ASSI { 1861}
   (( segid "   A" and resid 108  and name  HN  ))
   (( segid "   A" and resid 71   and name  HG2 ))
      3.561     1.780     1.780 peak  1861 weight  1.00000E+00 volume  -1.47323E+04 ppm1      9.107 ppm2      2.210

 ASSI { 1862}
   (( segid "   A" and resid 108  and name  HN  ))
   (( segid "   A" and resid 109  and name  HB2 ))
      4.590     2.295     2.295 peak  1862 weight  1.00000E+00 volume  -7.28420E+03 ppm1      9.100 ppm2      2.342

 ASSI { 1863}
   (( segid "   A" and resid 108  and name  HN  ))
   (( segid "   A" and resid 72   and name  HB2 ))
      4.263     2.131     2.131 peak  1863 weight  1.00000E+00 volume  -1.17669E+05 ppm1      9.119 ppm2      2.730

 ASSI { 1864}
   (( segid "   A" and resid 108  and name  HN  ))
   (( segid "   A" and resid 73   and name  HA  ))
      3.872     1.936     1.936 peak  1864 weight  1.00000E+00 volume  -2.09433E+05 ppm1      9.108 ppm2      4.229

 ASSI { 1865}
   (( segid "   A" and resid 108  and name  HN  ))
   (( segid "   A" and resid 108  and name  HA2 ))
      2.988     1.268     1.494 peak  1865 weight  1.00000E+00 volume  -9.91553E+05 ppm1      9.104 ppm2      4.414

 ASSI { 1869}
   (( segid "   A" and resid 72   and name  HN  ))
   (( segid "   A" and resid 109  and name  HN  ))
      2.852     1.132     1.426 peak  1869 weight  1.00000E+00 volume  -8.51737E+04 ppm1      8.111 ppm2      9.129

 ASSI { 1870}
   (( segid "   A" and resid 109  and name  HN  ))
   (( segid "   A" and resid 72   and name  HB2 ))
      3.247     1.527     1.624 peak  1870 weight  1.00000E+00 volume  -2.82978E+04 ppm1      8.115 ppm2      2.719

 ASSI { 1872}
   (( segid "   A" and resid 109  and name  HN  ))
   (( segid "   A" and resid 107  and name  HB2 ))
      4.136     2.068     2.068 peak  1872 weight  1.00000E+00 volume  -6.66462E+03 ppm1      8.105 ppm2      1.898

 ASSI { 1873}
   (( segid "   A" and resid 109  and name  HN  ))
   (( segid "   A" and resid 106  and name  HB2 ))
      4.868     2.434     2.434 peak  1873 weight  1.00000E+00 volume  -1.95100E+03 ppm1      8.117 ppm2      1.697

 ASSI { 1875}
   (( segid "   A" and resid 110  and name  HN  ))
   (( segid "   A" and resid 71   and name  HG2 ))
      3.261     1.541     1.630 peak  1875 weight  1.00000E+00 volume  -5.87610E+05 ppm1      8.528 ppm2      2.213

 ASSI { 1876}
   (( segid "   A" and resid 110  and name  HN  ))
   (( segid "   A" and resid 71   and name  HA  ))
      3.532     1.766     1.766 peak  1876 weight  1.00000E+00 volume  -1.46702E+04 ppm1      8.532 ppm2      5.209

 ASSI { 1877}
   (( segid "   A" and resid 110  and name  HN  ))
   (( segid "   A" and resid 109  and name  HN  ))
      4.474     2.237     2.237 peak  1877 weight  1.00000E+00 volume  -1.00389E+04 ppm1      8.529 ppm2      8.115

 ASSI { 1878}
   (( segid "   A" and resid 111  and name  HN  ))
   (( segid "   A" and resid 110  and name  HN  ))
      3.811     1.906     1.906 peak  1878 weight  1.00000E+00 volume  -1.86570E+04 ppm1      8.528 ppm2      9.066

 ASSI { 1881}
   (( segid "   A" and resid 111  and name  HN  ))
   (( segid "   A" and resid 110  and name  HN  ))
      7.553     3.776     0.447 peak  1881 weight  1.00000E+00 volume  3.80464E+03 ppm1      9.067 ppm2      8.532

 ASSI { 1882}
   (( segid "   A" and resid 111  and name  HN  ))
   (( segid "   A" and resid 71   and name  HA  ))
      2.903     1.183     1.451 peak  1882 weight  1.00000E+00 volume  -1.18040E+06 ppm1      9.067 ppm2      5.211

 ASSI { 1885}
   (( segid "   A" and resid 111  and name  HN  ))
   (( segid "   A" and resid 109  and name  HG2 ))
      5.080     2.540     2.540 peak  1885 weight  1.00000E+00 volume  -4.11041E+04 ppm1      9.059 ppm2      2.647

 ASSI { 1886}
   (( segid "   A" and resid 111  and name  HN  ))
   (( segid "   A" and resid 71   and name  HG2 ))
      3.845     1.922     1.922 peak  1886 weight  1.00000E+00 volume  -2.18605E+05 ppm1      9.064 ppm2      2.212

 ASSI { 1887}
   (( segid "   A" and resid 111  and name  HN  ))
   (( segid "   A" and resid 110  and name  HB2 ))
      2.956     1.236     1.478 peak  1887 weight  1.00000E+00 volume  -1.05842E+06 ppm1      9.061 ppm2      1.999

 ASSI { 1888}
   (( segid "   A" and resid 111  and name  HN  ))
   (( segid "   A" and resid 70   and name  HB1 ))
      4.396     2.198     2.198 peak  1888 weight  1.00000E+00 volume  -1.74149E+03 ppm1      9.061 ppm2      1.799

 ASSI { 1889}
   (( segid "   A" and resid 111  and name  HN  ))
   (( segid "   A" and resid 70   and name  HB2 ))
      4.027     2.014     2.014 peak  1889 weight  1.00000E+00 volume  -1.65571E+05 ppm1      9.066 ppm2      1.614

 ASSI { 1890}
   (( segid "   A" and resid 112  and name  HN  ))
   (( segid "   A" and resid 111  and name  HB  ))
      2.604     0.884     1.302 peak  1890 weight  1.00000E+00 volume  -2.26387E+06 ppm1      8.056 ppm2      2.036

 ASSI { 1891}
   (( segid "   A" and resid 112  and name  HN  ))
   (( segid "   A" and resid 113  and name  HA  ))
      8.000     4.000     0.000 peak  1891 weight  1.00000E+00 volume  -1.29926E+04 ppm1      8.051 ppm2      4.429

 ASSI { 1892}
   (( segid "   A" and resid 112  and name  HN  ))
   (( segid "   A" and resid 124  and name  HA  ))
      3.666     1.833     1.833 peak  1892 weight  1.00000E+00 volume  -1.67295E+04 ppm1      8.056 ppm2      4.603

 ASSI { 1893}
   (( segid "   A" and resid 111  and name  HN  ))
   (( segid "   A" and resid 112  and name  HN  ))
      3.794     1.897     1.897 peak  1893 weight  1.00000E+00 volume  -2.36628E+05 ppm1      8.053 ppm2      9.066

 ASSI { 1894}
   (( segid "   A" and resid 113  and name  HN  ))
   (( segid "   A" and resid 112  and name  HN  ))
      3.794     1.897     1.897 peak  1894 weight  1.00000E+00 volume  -2.36628E+05 ppm1      8.054 ppm2      9.077

 ASSI { 1895}
   (( segid "   A" and resid 113  and name  HN  ))
   (( segid "   A" and resid 124  and name  HN  ))
      3.304     1.584     1.652 peak  1895 weight  1.00000E+00 volume  -5.43005E+05 ppm1      9.072 ppm2      9.197

 ASSI { 1896}
   (( segid "   A" and resid 113  and name  HN  ))
   (( segid "   A" and resid 70   and name  HN  ))
      3.370     1.650     1.685 peak  1896 weight  1.00000E+00 volume  -2.25374E+04 ppm1      9.073 ppm2      8.920

 ASSI { 1897}
   (( segid "   A" and resid 113  and name  HN  ))
   (( segid "   A" and resid 69   and name  HN  ))
      3.968     1.984     1.984 peak  1897 weight  1.00000E+00 volume  -1.46499E+04 ppm1      9.074 ppm2      8.709

 ASSI { 1898}
   (( segid "   A" and resid 113  and name  HN  ))
   (( segid "   A" and resid 114  and name  HN  ))
      4.854     2.427     2.427 peak  1898 weight  1.00000E+00 volume  -1.32424E+04 ppm1      9.073 ppm2      8.493

 ASSI { 1899}
   (( segid "   A" and resid 113  and name  HN  ))
   (( segid "   A" and resid 112  and name  HN  ))
      5.406     2.703     2.594 peak  1899 weight  1.00000E+00 volume  6.37429E+03 ppm1      9.082 ppm2      8.042

 ASSI { 1900}
   (( segid "   A" and resid 113  and name  HN  ))
   (( segid "   A" and resid 67   and name  HA  ))
      3.826     1.913     1.913 peak  1900 weight  1.00000E+00 volume  -2.24983E+05 ppm1      9.073 ppm2      5.343

 ASSI { 1901}
   (( segid "   A" and resid 113  and name  HN  ))
   (( segid "   A" and resid 69   and name  HA  ))
      3.150     1.430     1.575 peak  1901 weight  1.00000E+00 volume  -7.22411E+05 ppm1      9.072 ppm2      4.694

 ASSI { 1902}
   (( segid "   A" and resid 113  and name  HN  ))
   (( segid "   A" and resid 68   and name  HA  ))
      4.123     2.062     2.062 peak  1902 weight  1.00000E+00 volume  -1.43702E+05 ppm1      9.072 ppm2      4.624

 ASSI { 1903}
   (( segid "   A" and resid 113  and name  HN  ))
   (( segid "   A" and resid 68   and name  HB2 ))
      3.162     1.442     1.581 peak  1903 weight  1.00000E+00 volume  -7.05950E+05 ppm1      9.074 ppm2      1.801

 ASSI { 1906}
   (( segid "   A" and resid 114  and name  HN  ))
   (  segid "   A" and resid 123  and name  HG1#)
      3.448     1.724     1.724 peak  1906 weight  1.00000E+00 volume  -2.61550E+04 ppm1      8.494 ppm2      0.550

 ASSI { 1907}
   (( segid "   A" and resid 114  and name  HN  ))
   (  segid "   A" and resid 115  and name  HG2#)
      3.552     1.776     1.776 peak  1907 weight  1.00000E+00 volume  -2.30231E+04 ppm1      8.494 ppm2      0.906

 ASSI { 1909}
   (( segid "   A" and resid 114  and name  HN  ))
   (( segid "   A" and resid 113  and name  HB  ))
      3.525     1.762     1.762 peak  1909 weight  1.00000E+00 volume  -3.68426E+05 ppm1      8.489 ppm2      1.658

 ASSI { 1910}
   (( segid "   A" and resid 114  and name  HN  ))
   (( segid "   A" and resid 114  and name  HB2 ))
      3.951     1.975     1.975 peak  1910 weight  1.00000E+00 volume  -1.85763E+05 ppm1      8.495 ppm2      2.222

 ASSI { 1911}
   (( segid "   A" and resid 114  and name  HN  ))
   (( segid "   A" and resid 122  and name  HA1 ))
      3.850     1.925     1.925 peak  1911 weight  1.00000E+00 volume  -1.24117E+04 ppm1      8.494 ppm2      4.094

 ASSI { 1912}
   (( segid "   A" and resid 114  and name  HN  ))
   (( segid "   A" and resid 122  and name  HA2 ))
      4.013     2.006     2.006 peak  1912 weight  1.00000E+00 volume  -9.30471E+03 ppm1      8.492 ppm2      4.168

 ASSI { 1913}
   (( segid "   A" and resid 114  and name  HN  ))
   (( segid "   A" and resid 115  and name  HA  ))
      6.084     3.042     1.916 peak  1913 weight  1.00000E+00 volume  -7.00055E+03 ppm1      8.493 ppm2      5.339

 ASSI { 1914}
   (( segid "   A" and resid 114  and name  HN  ))
   (( segid "   A" and resid 122  and name  HN  ))
      5.265     2.633     2.633 peak  1914 weight  1.00000E+00 volume  -3.31418E+04 ppm1      8.499 ppm2      7.415

 ASSI { 1915}
   (( segid "   A" and resid 114  and name  HN  ))
   (( segid "   A" and resid 123  and name  HN  ))
      5.231     2.616     2.616 peak  1915 weight  1.00000E+00 volume  3.44534E+04 ppm1      8.496 ppm2      8.328

 ASSI { 1916}
   (( segid "   A" and resid 115  and name  HN  ))
   (( segid "   A" and resid 114  and name  HN  ))
      4.503     2.251     2.251 peak  1916 weight  1.00000E+00 volume  -8.47598E+04 ppm1      8.498 ppm2      8.940

 ASSI { 1917}
   (( segid "   A" and resid 114  and name  HN  ))
   (( segid "   A" and resid 121  and name  HN  ))
      4.337     2.168     2.168 peak  1917 weight  1.00000E+00 volume  -1.06147E+05 ppm1      8.495 ppm2      8.979

 ASSI { 1918}
   (( segid "   A" and resid 113  and name  HN  ))
   (( segid "   A" and resid 114  and name  HN  ))
      4.920     2.460     2.460 peak  1918 weight  1.00000E+00 volume  -6.62834E+03 ppm1      8.494 ppm2      9.075

 ASSI { 1922}
   (( segid "   A" and resid 115  and name  HN  ))
   (( segid "   A" and resid 114  and name  HN  ))
      4.802     2.401     2.401 peak  1922 weight  1.00000E+00 volume  -5.75776E+04 ppm1      8.936 ppm2      8.496

 ASSI { 1923}
   (( segid "   A" and resid 115  and name  HN  ))
   (( segid "   A" and resid 67   and name  HA  ))
      3.015     1.295     1.508 peak  1923 weight  1.00000E+00 volume  -5.77568E+04 ppm1      8.940 ppm2      5.340

 ASSI { 1924}
   (( segid "   A" and resid 115  and name  HN  ))
   (( segid "   A" and resid 120  and name  HA  ))
      5.883     2.941     2.117 peak  1924 weight  1.00000E+00 volume  -6.42217E+03 ppm1      8.934 ppm2      4.180

 ASSI { 1925}
   (( segid "   A" and resid 115  and name  HN  ))
   (( segid "   A" and resid 115  and name  HB  ))
      5.098     2.549     2.549 peak  1925 weight  1.00000E+00 volume  -4.02084E+04 ppm1      8.940 ppm2      3.710

 ASSI { 1926}
   (( segid "   A" and resid 115  and name  HN  ))
   (( segid "   A" and resid 114  and name  HB2 ))
      3.656     1.828     1.828 peak  1926 weight  1.00000E+00 volume  -2.31739E+04 ppm1      8.940 ppm2      2.218

 ASSI { 1928}
   (( segid "   A" and resid 115  and name  HN  ))
   (( segid "   A" and resid 113  and name  HB  ))
      5.267     2.634     2.634 peak  1928 weight  1.00000E+00 volume  -6.56679E+03 ppm1      8.928 ppm2      1.654

 ASSI { 1929}
   (( segid "   A" and resid 115  and name  HN  ))
   (( segid "   A" and resid 68   and name  HG2 ))
      4.083     2.041     2.041 peak  1929 weight  1.00000E+00 volume  -1.52476E+05 ppm1      8.932 ppm2      1.603

 ASSI { 1931}
   (( segid "   A" and resid 116  and name  HN  ))
   (  segid "   A" and resid 121  and name  HG2#)
      3.125     1.405     1.563 peak  1931 weight  1.00000E+00 volume  -7.58053E+05 ppm1      8.855 ppm2      0.943

 ASSI { 1932}
   (( segid "   A" and resid 116  and name  HN  ))
   (( segid "   A" and resid 121  and name  HB  ))
      4.152     2.076     2.076 peak  1932 weight  1.00000E+00 volume  -1.37888E+05 ppm1      8.860 ppm2      1.915

 ASSI { 1933}
   (( segid "   A" and resid 116  and name  HN  ))
   (( segid "   A" and resid 119  and name  HB2 ))
      4.710     2.355     2.355 peak  1933 weight  1.00000E+00 volume  -6.47028E+04 ppm1      8.860 ppm2      1.970

 ASSI { 1934}
   (( segid "   A" and resid 116  and name  HN  ))
   (( segid "   A" and resid 119  and name  HB1 ))
      3.908     1.954     1.954 peak  1934 weight  1.00000E+00 volume  -1.98365E+05 ppm1      8.850 ppm2      2.131

 ASSI { 1935}
   (( segid "   A" and resid 116  and name  HN  ))
   (( segid "   A" and resid 121  and name  HA  ))
      4.208     2.104     2.104 peak  1935 weight  1.00000E+00 volume  -1.27179E+05 ppm1      8.854 ppm2      4.576

 ASSI { 1936}
   (( segid "   A" and resid 122  and name  HN  ))
   (( segid "   A" and resid 116  and name  HN  ))
      8.000     4.000     0.000 peak  1936 weight  1.00000E+00 volume  2.00420E+03 ppm1      8.845 ppm2      7.420

 ASSI { 1937}
   (( segid "   A" and resid 116  and name  HN  ))
   (( segid "   A" and resid 120  and name  HN  ))
      3.441     1.721     1.721 peak  1937 weight  1.00000E+00 volume  -4.25305E+05 ppm1      8.854 ppm2      8.737

 ASSI { 1939}
   (( segid "   A" and resid 115  and name  HN  ))
   (( segid "   A" and resid 116  and name  HN  ))
      3.006     1.286     1.503 peak  1939 weight  1.00000E+00 volume  -4.09464E+04 ppm1      8.852 ppm2      8.945

 ASSI { 1940}
   (( segid "   A" and resid 121  and name  HN  ))
   (( segid "   A" and resid 116  and name  HN  ))
      2.985     1.265     1.493 peak  1940 weight  1.00000E+00 volume  -9.98123E+05 ppm1      8.855 ppm2      8.977

 ASSI { 1947}
   (( segid "   A" and resid 118  and name  HN  ))
   (( segid "   A" and resid 116  and name  HA  ))
      3.509     1.754     1.754 peak  1947 weight  1.00000E+00 volume  -1.18611E+04 ppm1      8.466 ppm2      4.900

 ASSI { 1948}
   (( segid "   A" and resid 118  and name  HN  ))
   (( segid "   A" and resid 115  and name  HA  ))
      4.161     2.081     2.081 peak  1948 weight  1.00000E+00 volume  -3.95075E+03 ppm1      8.468 ppm2      5.340

 ASSI { 1949}
   (( segid "   A" and resid 119  and name  HN  ))
   (( segid "   A" and resid 118  and name  HN  ))
      4.207     2.103     2.103 peak  1949 weight  1.00000E+00 volume  -8.85024E+03 ppm1      8.471 ppm2      7.954

 ASSI { 1950}
   (( segid "   A" and resid 66   and name  HN  ))
   (( segid "   A" and resid 118  and name  HN  ))
      4.836     2.418     2.418 peak  1950 weight  1.00000E+00 volume  -6.35603E+03 ppm1      8.491 ppm2      8.780

 ASSI { 1951}
   (( segid "   A" and resid 116  and name  HN  ))
   (( segid "   A" and resid 118  and name  HN  ))
      5.073     2.537     2.537 peak  1951 weight  1.00000E+00 volume  -3.45632E+03 ppm1      8.498 ppm2      8.858

 ASSI { 1956}
   (( segid "   A" and resid 119  and name  HB1 ))
   (( segid "   A" and resid 120  and name  HN  ))
      4.734     2.367     2.367 peak  1956 weight  1.00000E+00 volume  1.69066E+03 ppm1      8.737 ppm2      2.130

 ASSI { 1957}
   (( segid "   A" and resid 120  and name  HA  ))
   (( segid "   A" and resid 120  and name  HN  ))
      4.761     2.381     2.381 peak  1957 weight  1.00000E+00 volume  -7.02516E+03 ppm1      8.750 ppm2      4.149

 ASSI { 1958}
   (( segid "   A" and resid 119  and name  HA  ))
   (( segid "   A" and resid 120  and name  HN  ))
      4.039     2.019     2.019 peak  1958 weight  1.00000E+00 volume  -1.62707E+05 ppm1      8.728 ppm2      4.568

 ASSI { 1959}
   (( segid "   A" and resid 115  and name  HA  ))
   (( segid "   A" and resid 120  and name  HN  ))
      3.604     1.802     1.802 peak  1959 weight  1.00000E+00 volume  -3.22137E+05 ppm1      8.736 ppm2      5.339

 ASSI { 1960}
   (( segid "   A" and resid 116  and name  HN  ))
   (( segid "   A" and resid 120  and name  HN  ))
      3.833     1.916     1.916 peak  1960 weight  1.00000E+00 volume  -2.22730E+05 ppm1      8.738 ppm2      8.851

 ASSI { 1961}
   (( segid "   A" and resid 121  and name  HN  ))
   (( segid "   A" and resid 120  and name  HN  ))
      3.951     1.976     1.976 peak  1961 weight  1.00000E+00 volume  -1.85603E+05 ppm1      8.737 ppm2      8.976

 ASSI { 1963}
   (( segid "   A" and resid 121  and name  HN  ))
   (( segid "   A" and resid 116  and name  HN  ))
      3.098     1.378     1.549 peak  1963 weight  1.00000E+00 volume  -7.98413E+05 ppm1      8.976 ppm2      8.857

 ASSI { 1964}
   (( segid "   A" and resid 121  and name  HN  ))
   (( segid "   A" and resid 115  and name  HA  ))
      3.567     1.784     1.784 peak  1964 weight  1.00000E+00 volume  -3.42674E+05 ppm1      8.976 ppm2      5.338

 ASSI { 1965}
   (( segid "   A" and resid 121  and name  HN  ))
   (( segid "   A" and resid 120  and name  HA  ))
      3.025     1.305     1.512 peak  1965 weight  1.00000E+00 volume  -9.22134E+05 ppm1      8.978 ppm2      4.158

 ASSI { 1966}
   (( segid "   A" and resid 121  and name  HN  ))
   (( segid "   A" and resid 122  and name  HA1 ))
      3.309     1.589     1.654 peak  1966 weight  1.00000E+00 volume  -5.38341E+05 ppm1      8.978 ppm2      4.096

 ASSI { 1967}
   (( segid "   A" and resid 121  and name  HN  ))
   (( segid "   A" and resid 116  and name  HB2 ))
      4.762     2.381     2.381 peak  1967 weight  1.00000E+00 volume  6.05578E+04 ppm1      8.993 ppm2      2.896

 ASSI { 1968}
   (( segid "   A" and resid 121  and name  HN  ))
   (  segid "   A" and resid 115  and name  HG2#)
      2.948     1.228     1.474 peak  1968 weight  1.00000E+00 volume  -1.07659E+06 ppm1      8.978 ppm2      0.908

 ASSI { 1969}
   (( segid "   A" and resid 122  and name  HN  ))
   (  segid "   A" and resid 123  and name  HG1#)
      3.362     1.642     1.681 peak  1969 weight  1.00000E+00 volume  -4.89104E+05 ppm1      7.419 ppm2      0.559

 ASSI { 1970}
   (( segid "   A" and resid 122  and name  HN  ))
   (  segid "   A" and resid 115  and name  HG2#)
      2.842     1.122     1.421 peak  1970 weight  1.00000E+00 volume  -1.33983E+06 ppm1      7.415 ppm2      0.910

 ASSI { 1971}
   (( segid "   A" and resid 122  and name  HN  ))
   (( segid "   A" and resid 114  and name  HB2 ))
      4.786     2.393     2.393 peak  1971 weight  1.00000E+00 volume  -5.87993E+04 ppm1      7.420 ppm2      2.188

 ASSI { 1972}
   (( segid "   A" and resid 122  and name  HN  ))
   (( segid "   A" and resid 120  and name  HA  ))
      2.691     0.971     1.346 peak  1972 weight  1.00000E+00 volume  -1.12259E+05 ppm1      7.412 ppm2      4.158

 ASSI { 1973}
   (( segid "   A" and resid 122  and name  HN  ))
   (( segid "   A" and resid 121  and name  HA  ))
      3.503     1.752     1.752 peak  1973 weight  1.00000E+00 volume  -3.82065E+05 ppm1      7.413 ppm2      4.576

 ASSI { 1974}
   (( segid "   A" and resid 122  and name  HN  ))
   (( segid "   A" and resid 123  and name  HA  ))
      3.842     1.921     1.921 peak  1974 weight  1.00000E+00 volume  -2.12653E+04 ppm1      7.412 ppm2      4.688

 ASSI { 1975}
   (( segid "   A" and resid 122  and name  HN  ))
   (( segid "   A" and resid 123  and name  HN  ))
      4.478     2.239     2.239 peak  1975 weight  1.00000E+00 volume  -4.81011E+03 ppm1      7.412 ppm2      8.329

 ASSI { 1977}
   (( segid "   A" and resid 124  and name  HN  ))
   (( segid "   A" and resid 123  and name  HN  ))
      5.396     2.698     2.604 peak  1977 weight  1.00000E+00 volume  -2.86045E+04 ppm1      8.318 ppm2      9.199

 ASSI { 1978}
   (( segid "   A" and resid 114  and name  HN  ))
   (( segid "   A" and resid 123  and name  HN  ))
      4.256     2.128     2.128 peak  1978 weight  1.00000E+00 volume  -1.18785E+05 ppm1      8.316 ppm2      8.494

 ASSI { 1979}
   (( segid "   A" and resid 122  and name  HN  ))
   (( segid "   A" and resid 123  and name  HN  ))
      4.310     2.155     2.155 peak  1979 weight  1.00000E+00 volume  -1.10240E+05 ppm1      8.320 ppm2      7.414

 ASSI { 1980}
   (( segid "   A" and resid 123  and name  HN  ))
   (( segid "   A" and resid 123  and name  HA  ))
      2.633     0.913     1.316 peak  1980 weight  1.00000E+00 volume  -1.48049E+05 ppm1      8.325 ppm2      4.692

 ASSI { 1981}
   (( segid "   A" and resid 123  and name  HN  ))
   (( segid "   A" and resid 124  and name  HA  ))
      3.127     1.407     1.564 peak  1981 weight  1.00000E+00 volume  -2.81264E+04 ppm1      8.327 ppm2      4.610

 ASSI { 1982}
   (( segid "   A" and resid 124  and name  HN  ))
   (( segid "   A" and resid 124  and name  HB1 ))
      2.891     1.171     1.445 peak  1982 weight  1.00000E+00 volume  -6.11594E+04 ppm1      9.193 ppm2      1.791

 ASSI { 1983}
   (( segid "   A" and resid 124  and name  HN  ))
   (( segid "   A" and resid 124  and name  HB2 ))
      3.130     1.410     1.565 peak  1983 weight  1.00000E+00 volume  -5.54865E+04 ppm1      9.196 ppm2      2.012

 ASSI { 1984}
   (( segid "   A" and resid 124  and name  HN  ))
   (( segid "   A" and resid 112  and name  HB2 ))
      3.130     1.410     1.565 peak  1984 weight  1.00000E+00 volume  -7.50730E+05 ppm1      9.194 ppm2      2.019

 ASSI { 1985}
   (( segid "   A" and resid 124  and name  HN  ))
   (( segid "   A" and resid 111  and name  HB  ))
      3.130     1.410     1.565 peak  1985 weight  1.00000E+00 volume  -7.50730E+05 ppm1      9.195 ppm2      2.034

 ASSI { 1986}
   (( segid "   A" and resid 124  and name  HN  ))
   (( segid "   A" and resid 113  and name  HA  ))
      3.360     1.640     1.680 peak  1986 weight  1.00000E+00 volume  -4.91052E+05 ppm1      9.193 ppm2      4.429

 ASSI { 1987}
   (( segid "   A" and resid 124  and name  HN  ))
   (( segid "   A" and resid 124  and name  HA  ))
      2.780     1.060     1.390 peak  1987 weight  1.00000E+00 volume  -5.63352E+04 ppm1      9.191 ppm2      4.604

 ASSI { 1988}
   (( segid "   A" and resid 112  and name  HN  ))
   (( segid "   A" and resid 124  and name  HN  ))
      4.204     2.102     2.102 peak  1988 weight  1.00000E+00 volume  -1.27850E+05 ppm1      9.195 ppm2      8.054

 ASSI { 1989}
   (( segid "   A" and resid 124  and name  HN  ))
   (( segid "   A" and resid 114  and name  HN  ))
      4.131     2.065     2.065 peak  1989 weight  1.00000E+00 volume  5.89293E+03 ppm1      9.203 ppm2      8.498

 ASSI { 1990}
   (( segid "   A" and resid 124  and name  HN  ))
   (( segid "   A" and resid 125  and name  HN  ))
      3.858     1.929     1.929 peak  1990 weight  1.00000E+00 volume  -1.62179E+04 ppm1      9.196 ppm2      8.810

 ASSI { 1992}
   (( segid "   A" and resid 124  and name  HN  ))
   (( segid "   A" and resid 125  and name  HN  ))
      5.522     2.761     2.478 peak  1992 weight  1.00000E+00 volume  -2.49132E+04 ppm1      8.811 ppm2      9.201

 ASSI { 1993}
   (( segid "   A" and resid 125  and name  HN  ))
   (( segid "   A" and resid 125  and name  HA  ))
      3.248     1.528     1.624 peak  1993 weight  1.00000E+00 volume  -6.01169E+05 ppm1      8.809 ppm2      4.512

 ASSI { 1994}
   (( segid "   A" and resid 125  and name  HN  ))
   (( segid "   A" and resid 124  and name  HB2 ))
      4.014     2.007     2.007 peak  1994 weight  1.00000E+00 volume  -1.68848E+05 ppm1      8.806 ppm2      2.015

 ASSI { 1998}
   (( segid "   A" and resid 127  and name  HN  ))
   (( segid "   A" and resid 127  and name  HB2 ))
      4.096     2.048     2.048 peak  1998 weight  1.00000E+00 volume  -1.03917E+04 ppm1      8.592 ppm2      1.840

 ASSI { 2000}
   (( segid "   A" and resid 127  and name  HN  ))
   (( segid "   A" and resid 126  and name  HA  ))
      3.971     1.985     1.985 peak  2000 weight  1.00000E+00 volume  -9.18905E+03 ppm1      8.589 ppm2      4.519

 ASSI { 2001}
   (( segid "   A" and resid 128  and name  HN  ))
   (( segid "   A" and resid 127  and name  HN  ))
      4.187     2.093     2.093 peak  2001 weight  1.00000E+00 volume  -8.48218E+03 ppm1      8.582 ppm2      7.462

 ASSI { 2002}
   (( segid "   A" and resid 128  and name  HN  ))
   (( segid "   A" and resid 127  and name  HN  ))
      4.442     2.221     2.221 peak  2002 weight  1.00000E+00 volume  -5.98475E+03 ppm1      7.420 ppm2      8.588

 ASSI { 2003}
   (( segid "   A" and resid 129  and name  HN  ))
   (( segid "   A" and resid 128  and name  HN  ))
      3.804     1.902     1.902 peak  2003 weight  1.00000E+00 volume  -2.09894E+04 ppm1      7.418 ppm2      8.527

 ASSI { 2008}
   (( segid "   A" and resid 129  and name  HN  ))
   (  segid "   A" and resid 174  and name  HG2#)
      3.008     1.288     1.504 peak  2008 weight  1.00000E+00 volume  -5.54738E+04 ppm1      8.526 ppm2      0.716

 ASSI { 2009}
   (( segid "   A" and resid 129  and name  HN  ))
   (  segid "   A" and resid 128  and name  HG2#)
      2.750     1.030     1.375 peak  2009 weight  1.00000E+00 volume  -9.07747E+04 ppm1      8.525 ppm2      0.965

 ASSI { 2010}
   (( segid "   A" and resid 129  and name  HN  ))
   (( segid "   A" and resid 174  and name  HB  ))
      3.695     1.848     1.848 peak  2010 weight  1.00000E+00 volume  -2.77313E+05 ppm1      8.527 ppm2      1.539

 ASSI { 2011}
   (( segid "   A" and resid 129  and name  HN  ))
   (( segid "   A" and resid 173  and name  HA  ))
      2.922     1.202     1.461 peak  2011 weight  1.00000E+00 volume  -1.13472E+06 ppm1      8.526 ppm2      4.703

 ASSI { 2012}
   (( segid "   A" and resid 129  and name  HN  ))
   (( segid "   A" and resid 175  and name  HA  ))
      3.178     1.458     1.589 peak  2012 weight  1.00000E+00 volume  -6.84975E+05 ppm1      8.527 ppm2      4.812

 ASSI { 2014}
   (( segid "   A" and resid 129  and name  HN  ))
   (( segid "   A" and resid 128  and name  HN  ))
      8.000     4.000     0.000 peak  2014 weight  1.00000E+00 volume  -1.03332E+03 ppm1      8.534 ppm2      7.418

 ASSI { 2015}
   (( segid "   A" and resid 129  and name  HN  ))
   (( segid "   A" and resid 130  and name  HN  ))
      4.745     2.373     2.373 peak  2015 weight  1.00000E+00 volume  6.18673E+04 ppm1      8.537 ppm2      8.035

 ASSI { 2016}
   (( segid "   A" and resid 174  and name  HN  ))
   (( segid "   A" and resid 130  and name  HN  ))
      4.504     2.252     2.252 peak  2016 weight  1.00000E+00 volume  -8.46161E+04 ppm1      8.032 ppm2      8.980

 ASSI { 2017}
   (( segid "   A" and resid 131  and name  HN  ))
   (( segid "   A" and resid 130  and name  HN  ))
      4.504     2.252     2.252 peak  2017 weight  1.00000E+00 volume  -7.38637E+03 ppm1      8.032 ppm2      8.947

 ASSI { 2018}
   (( segid "   A" and resid 129  and name  HN  ))
   (( segid "   A" and resid 130  and name  HN  ))
      6.995     3.497     1.005 peak  2018 weight  1.00000E+00 volume  -1.09276E+03 ppm1      8.036 ppm2      8.531

 ASSI { 2020}
   (( segid "   A" and resid 130  and name  HN  ))
   (( segid "   A" and resid 129  and name  HA  ))
      2.560     0.840     1.280 peak  2020 weight  1.00000E+00 volume  -2.51069E+06 ppm1      8.028 ppm2      4.628

 ASSI { 2021}
   (( segid "   A" and resid 130  and name  HN  ))
   (( segid "   A" and resid 129  and name  HB  ))
      2.756     1.036     1.378 peak  2021 weight  1.00000E+00 volume  -8.46028E+04 ppm1      8.030 ppm2      1.997

 ASSI { 2023}
   (( segid "   A" and resid 130  and name  HN  ))
   (  segid "   A" and resid 129  and name  HG2#)
      3.791     1.896     1.896 peak  2023 weight  1.00000E+00 volume  -2.37797E+05 ppm1      8.029 ppm2      0.700

 ASSI { 2024}
   (( segid "   A" and resid 131  and name  HN  ))
   (  segid "   A" and resid 129  and name  HG2#)
      3.095     1.375     1.548 peak  2024 weight  1.00000E+00 volume  -3.28183E+04 ppm1      8.946 ppm2      0.700

 ASSI { 2025}
   (( segid "   A" and resid 131  and name  HN  ))
   (  segid "   A" and resid 129  and name  HG1#)
      3.011     1.291     1.505 peak  2025 weight  1.00000E+00 volume  -9.48352E+05 ppm1      8.947 ppm2      0.903

 ASSI { 2027}
   (( segid "   A" and resid 131  and name  HN  ))
   (( segid "   A" and resid 130  and name  HB1 ))
      3.363     1.643     1.682 peak  2027 weight  1.00000E+00 volume  -4.87919E+05 ppm1      8.942 ppm2      1.885

 ASSI { 2028}
   (( segid "   A" and resid 131  and name  HN  ))
   (( segid "   A" and resid 130  and name  HB2 ))
      3.567     1.783     1.783 peak  2028 weight  1.00000E+00 volume  -1.98536E+04 ppm1      8.943 ppm2      2.028

 ASSI { 2029}
   (( segid "   A" and resid 131  and name  HN  ))
   (( segid "   A" and resid 171  and name  HA  ))
      4.426     2.213     2.213 peak  2029 weight  1.00000E+00 volume  2.97971E+03 ppm1      8.948 ppm2      4.319

 ASSI { 2030}
   (( segid "   A" and resid 131  and name  HN  ))
   (( segid "   A" and resid 173  and name  HA  ))
      3.320     1.600     1.660 peak  2030 weight  1.00000E+00 volume  -2.69541E+04 ppm1      8.945 ppm2      4.706

 ASSI { 2031}
   (( segid "   A" and resid 131  and name  HN  ))
   (( segid "   A" and resid 132  and name  HA  ))
      3.910     1.955     1.955 peak  2031 weight  1.00000E+00 volume  1.29623E+03 ppm1      8.943 ppm2      4.789

 ASSI { 2033}
   (( segid "   A" and resid 131  and name  HN  ))
   (( segid "   A" and resid 172  and name  HN  ))
      3.768     1.884     1.884 peak  2033 weight  1.00000E+00 volume  -2.16141E+04 ppm1      8.947 ppm2      9.306

 ASSI { 2034}
   (( segid "   A" and resid 133  and name  HN  ))
   (( segid "   A" and resid 132  and name  HN  ))
      4.739     2.370     2.370 peak  2034 weight  1.00000E+00 volume  -6.73636E+03 ppm1      9.762 ppm2      9.205

 ASSI { 2035}
   (( segid "   A" and resid 131  and name  HN  ))
   (( segid "   A" and resid 132  and name  HN  ))
      5.089     2.544     2.544 peak  2035 weight  1.00000E+00 volume  -4.06768E+04 ppm1      9.747 ppm2      8.993

 ASSI { 2036}
   (( segid "   A" and resid 155  and name  HN  ))
   (( segid "   A" and resid 132  and name  HN  ))
      5.586     2.793     2.414 peak  2036 weight  1.00000E+00 volume  -2.32460E+04 ppm1      9.745 ppm2      8.380

 ASSI { 2037}
   (( segid "   A" and resid 132  and name  HN  ))
   (( segid "   A" and resid 132  and name  HA  ))
      3.694     1.847     1.847 peak  2037 weight  1.00000E+00 volume  -2.78149E+05 ppm1      9.742 ppm2      4.787

 ASSI { 2038}
   (( segid "   A" and resid 155  and name  HG2 ))
   (( segid "   A" and resid 132  and name  HN  ))
      3.585     1.792     1.792 peak  2038 weight  1.00000E+00 volume  -2.17376E+04 ppm1      9.747 ppm2      2.446

 ASSI { 2039}
   (( segid "   A" and resid 155  and name  HG1 ))
   (( segid "   A" and resid 132  and name  HN  ))
      3.904     1.952     1.952 peak  2039 weight  1.00000E+00 volume  -1.21659E+04 ppm1      9.744 ppm2      2.313

 ASSI { 2040}
   (( segid "   A" and resid 132  and name  HN  ))
   (( segid "   A" and resid 155  and name  HB2 ))
      4.415     2.207     2.207 peak  2040 weight  1.00000E+00 volume  -9.54028E+04 ppm1      9.747 ppm2      2.038

 ASSI { 2041}
   (( segid "   A" and resid 132  and name  HN  ))
   (( segid "   A" and resid 131  and name  HB2 ))
      3.770     1.885     1.885 peak  2041 weight  1.00000E+00 volume  -2.45951E+05 ppm1      9.747 ppm2      1.756

 ASSI { 2042}
   (  segid "   A" and resid 154  and name  HG1#)
   (( segid "   A" and resid 132  and name  HN  ))
      3.198     1.478     1.599 peak  2042 weight  1.00000E+00 volume  -6.59907E+05 ppm1      9.745 ppm2      1.191

 ASSI { 2043}
   (( segid "   A" and resid 132  and name  HN  ))
   (  segid "   A" and resid 131  and name  HD1#)
      3.982     1.991     1.991 peak  2043 weight  1.00000E+00 volume  -1.01339E+04 ppm1      9.744 ppm2      0.796

 ASSI { 2044}
   (( segid "   A" and resid 133  and name  HN  ))
   (  segid "   A" and resid 132  and name  HG2#)
      2.844     1.124     1.422 peak  2044 weight  1.00000E+00 volume  -7.59540E+04 ppm1      9.198 ppm2      1.086

 ASSI { 2045}
   (( segid "   A" and resid 133  and name  HN  ))
   (  segid "   A" and resid 154  and name  HG1#)
      3.223     1.503     1.611 peak  2045 weight  1.00000E+00 volume  -1.75946E+04 ppm1      9.194 ppm2      1.191

 ASSI { 2046}
   (( segid "   A" and resid 133  and name  HN  ))
   (( segid "   A" and resid 169  and name  HA1 ))
      4.974     2.487     2.487 peak  2046 weight  1.00000E+00 volume  4.66634E+04 ppm1      9.198 ppm2      3.494

 ASSI { 2047}
   (( segid "   A" and resid 133  and name  HN  ))
   (( segid "   A" and resid 132  and name  HB  ))
      4.419     2.210     2.210 peak  2047 weight  1.00000E+00 volume  -9.47944E+04 ppm1      9.200 ppm2      4.284

 ASSI { 2048}
   (( segid "   A" and resid 133  and name  HN  ))
   (( segid "   A" and resid 171  and name  HA  ))
      4.673     2.337     2.337 peak  2048 weight  1.00000E+00 volume  -6.77920E+04 ppm1      9.197 ppm2      4.296

 ASSI { 2051}
   (( segid "   A" and resid 133  and name  HN  ))
   (( segid "   A" and resid 132  and name  HA  ))
      2.574     0.854     1.287 peak  2051 weight  1.00000E+00 volume  -2.42776E+06 ppm1      9.197 ppm2      4.790

 ASSI { 2052}
   (( segid "   A" and resid 133  and name  HN  ))
   (( segid "   A" and resid 169  and name  HN  ))
      4.262     2.131     2.131 peak  2052 weight  1.00000E+00 volume  -1.17838E+05 ppm1      9.198 ppm2      8.790

 ASSI { 2053}
   (( segid "   A" and resid 124  and name  HN  ))
   (( segid "   A" and resid 125  and name  HN  ))
      3.858     1.929     1.929 peak  2053 weight  1.00000E+00 volume  -2.14313E+05 ppm1      9.196 ppm2      8.811

 ASSI { 2055}
   (( segid "   A" and resid 133  and name  HN  ))
   (( segid "   A" and resid 134  and name  HN  ))
      4.464     2.232     2.232 peak  2055 weight  1.00000E+00 volume  -8.91993E+04 ppm1      9.426 ppm2      9.201

 ASSI { 2056}
   (( segid "   A" and resid 134  and name  HN  ))
   (( segid "   A" and resid 153  and name  HN  ))
      4.432     2.216     2.216 peak  2056 weight  1.00000E+00 volume  -8.19586E+03 ppm1      9.421 ppm2      9.104

 ASSI { 2057}
   (( segid "   A" and resid 169  and name  HN  ))
   (( segid "   A" and resid 134  and name  HN  ))
      4.573     2.286     2.286 peak  2057 weight  1.00000E+00 volume  3.93322E+03 ppm1      9.396 ppm2      8.775

 ASSI { 2058}
   (( segid "   A" and resid 134  and name  HN  ))
   (( segid "   A" and resid 155  and name  HN  ))
      4.217     2.108     2.108 peak  2058 weight  1.00000E+00 volume  -1.25598E+05 ppm1      9.411 ppm2      8.394

 ASSI { 2060}
   (( segid "   A" and resid 134  and name  HN  ))
   (( segid "   A" and resid 136  and name  HB  ))
      8.000     4.000     0.000 peak  2060 weight  1.00000E+00 volume  2.59245E+03 ppm1      9.427 ppm2      4.320

 ASSI { 2062}
   (( segid "   A" and resid 134  and name  HN  ))
   (( segid "   A" and resid 134  and name  HB  ))
      3.742     1.871     1.871 peak  2062 weight  1.00000E+00 volume  -1.15387E+04 ppm1      9.420 ppm2      4.145

 ASSI { 2063}
   (( segid "   A" and resid 134  and name  HN  ))
   (( segid "   A" and resid 133  and name  HB  ))
      5.004     2.502     2.502 peak  2063 weight  1.00000E+00 volume  -1.76000E+03 ppm1      9.423 ppm2      1.897

 ASSI { 2078}
   (( segid "   A" and resid 136  and name  HN  ))
   (( segid "   A" and resid 136  and name  HB  ))
      3.387     1.667     1.694 peak  2078 weight  1.00000E+00 volume  -4.67578E+05 ppm1      8.711 ppm2      4.313

 ASSI { 2079}
   (( segid "   A" and resid 136  and name  HA  ))
   (( segid "   A" and resid 136  and name  HN  ))
      3.558     1.779     1.779 peak  2079 weight  1.00000E+00 volume  -4.40341E+03 ppm1      8.711 ppm2      4.298

 ASSI { 2080}
   (( segid "   A" and resid 137  and name  HG2 ))
   (( segid "   A" and resid 136  and name  HN  ))
      3.940     1.970     1.970 peak  2080 weight  1.00000E+00 volume  -4.20364E+03 ppm1      8.710 ppm2      2.315

 ASSI { 2081}
   (( segid "   A" and resid 168  and name  HG2 ))
   (( segid "   A" and resid 136  and name  HN  ))
      3.940     1.970     1.970 peak  2081 weight  1.00000E+00 volume  -4.20364E+03 ppm1      8.712 ppm2      2.292

 ASSI { 2083}
   (  segid "   A" and resid 152  and name  HB# )
   (( segid "   A" and resid 136  and name  HN  ))
      6.211     3.105     1.789 peak  2083 weight  1.00000E+00 volume  -1.11949E+04 ppm1      8.703 ppm2      1.224

 ASSI { 2084}
   (( segid "   A" and resid 136  and name  HN  ))
   (  segid "   A" and resid 133  and name  HG1#)
      7.148     3.574     0.852 peak  2084 weight  1.00000E+00 volume  -1.68690E+03 ppm1      8.705 ppm2      0.958

 ASSI { 2085}
   (( segid "   A" and resid 136  and name  HN  ))
   (  segid "   A" and resid 134  and name  HG2#)
      4.996     2.498     2.498 peak  2085 weight  1.00000E+00 volume  -6.25899E+03 ppm1      8.705 ppm2      0.786

 ASSI { 2086}
   (( segid "   A" and resid 136  and name  HN  ))
   (  segid "   A" and resid 133  and name  HG2#)
      4.187     2.093     2.093 peak  2086 weight  1.00000E+00 volume  -1.31120E+05 ppm1      8.705 ppm2      0.778

 ASSI { 2089}
   (  segid "   A" and resid 152  and name  HB# )
   (( segid "   A" and resid 137  and name  HN  ))
      4.029     2.014     2.014 peak  2089 weight  1.00000E+00 volume  -1.65122E+05 ppm1      8.168 ppm2      1.222

 ASSI { 2090}
   (( segid "   A" and resid 137  and name  HN  ))
   (( segid "   A" and resid 136  and name  HB  ))
      3.819     1.909     1.909 peak  2090 weight  1.00000E+00 volume  -2.27676E+05 ppm1      8.172 ppm2      4.313

 ASSI { 2091}
   (( segid "   A" and resid 137  and name  HN  ))
   (( segid "   A" and resid 137  and name  HA  ))
      2.581     0.861     1.291 peak  2091 weight  1.00000E+00 volume  -1.04278E+05 ppm1      8.171 ppm2      4.611

 ASSI { 2092}
   (( segid "   A" and resid 152  and name  HA  ))
   (( segid "   A" and resid 137  and name  HN  ))
      3.830     1.915     1.915 peak  2092 weight  1.00000E+00 volume  -2.02992E+04 ppm1      8.174 ppm2      4.922

 ASSI { 2094}
   (( segid "   A" and resid 137  and name  HB1 ))
   (( segid "   A" and resid 139  and name  HN  ))
      4.228     2.114     2.114 peak  2094 weight  1.00000E+00 volume  -1.23562E+05 ppm1      8.469 ppm2      1.906

 ASSI { 2095}
   (  segid "   A" and resid 164  and name  HD1#)
   (( segid "   A" and resid 149  and name  HN  ))
      3.991     1.996     1.996 peak  2095 weight  1.00000E+00 volume  -1.56846E+04 ppm1      7.869 ppm2      0.631

 ASSI { 2096}
   (  segid "   A" and resid 164  and name  HD2#)
   (( segid "   A" and resid 149  and name  HN  ))
      3.428     1.708     1.714 peak  2096 weight  1.00000E+00 volume  -2.89993E+04 ppm1      7.879 ppm2      0.836

 ASSI { 2097}
   (( segid "   A" and resid 149  and name  HB  ))
   (( segid "   A" and resid 149  and name  HN  ))
      4.296     2.148     2.148 peak  2097 weight  1.00000E+00 volume  -9.09729E+03 ppm1      7.888 ppm2      3.924

 ASSI { 2098}
   (( segid "   A" and resid 162  and name  HN  ))
   (( segid "   A" and resid 150  and name  HN  ))
      3.651     1.825     1.825 peak  2098 weight  1.00000E+00 volume  -2.98229E+05 ppm1      9.081 ppm2      9.285

 ASSI { 2099}
   (( segid "   A" and resid 150  and name  HN  ))
   (( segid "   A" and resid 151  and name  HN  ))
      5.021     2.510     2.510 peak  2099 weight  1.00000E+00 volume  -4.40864E+04 ppm1      9.088 ppm2      8.533

 ASSI { 2100}
   (( segid "   A" and resid 150  and name  HN  ))
   (( segid "   A" and resid 149  and name  HN  ))
      5.183     2.591     2.591 peak  2100 weight  1.00000E+00 volume  3.64391E+04 ppm1      9.104 ppm2      7.881

 ASSI { 2101}
   (( segid "   A" and resid 150  and name  HN  ))
   (( segid "   A" and resid 161  and name  HA  ))
      4.132     2.066     2.066 peak  2101 weight  1.00000E+00 volume  -1.41861E+05 ppm1      9.087 ppm2      5.302

 ASSI { 2102}
   (( segid "   A" and resid 150  and name  HN  ))
   (( segid "   A" and resid 149  and name  HA  ))
      2.775     1.055     1.387 peak  2102 weight  1.00000E+00 volume  -1.54755E+06 ppm1      9.087 ppm2      4.778

 ASSI { 2104}
   (( segid "   A" and resid 150  and name  HN  ))
   (( segid "   A" and resid 162  and name  HA  ))
      4.915     2.458     2.458 peak  2104 weight  1.00000E+00 volume  -5.00729E+04 ppm1      9.105 ppm2      4.433

 ASSI { 2105}
   (( segid "   A" and resid 150  and name  HN  ))
   (( segid "   A" and resid 163  and name  HA  ))
      7.202     3.601     0.798 peak  2105 weight  1.00000E+00 volume  5.06013E+03 ppm1      9.078 ppm2      4.283

 ASSI { 2106}
   (( segid "   A" and resid 150  and name  HN  ))
   (( segid "   A" and resid 164  and name  HA  ))
      5.076     2.538     2.538 peak  2106 weight  1.00000E+00 volume  -4.12820E+04 ppm1      9.087 ppm2      3.521

 ASSI { 2107}
   (( segid "   A" and resid 150  and name  HN  ))
   (( segid "   A" and resid 161  and name  HB2 ))
      4.306     2.153     2.153 peak  2107 weight  1.00000E+00 volume  1.10777E+05 ppm1      9.090 ppm2      2.634

 ASSI { 2108}
   (( segid "   A" and resid 150  and name  HN  ))
   (( segid "   A" and resid 150  and name  HB2 ))
      6.453     3.226     1.547 peak  2108 weight  1.00000E+00 volume  1.38560E+03 ppm1      9.079 ppm2      1.693

 ASSI { 2109}
   (( segid "   A" and resid 150  and name  HN  ))
   (  segid "   A" and resid 164  and name  HD2#)
      2.861     1.141     1.430 peak  2109 weight  1.00000E+00 volume  -6.65200E+04 ppm1      9.081 ppm2      0.835

 ASSI { 2111}
   (( segid "   A" and resid 150  and name  HN  ))
   (  segid "   A" and resid 162  and name  HG1#)
      3.347     1.627     1.673 peak  2111 weight  1.00000E+00 volume  -5.02737E+05 ppm1      9.081 ppm2      0.547

 ASSI { 2112}
   (  segid "   A" and resid 152  and name  HB# )
   (( segid "   A" and resid 151  and name  HN  ))
      5.843     2.922     2.157 peak  2112 weight  1.00000E+00 volume  1.77430E+04 ppm1      8.532 ppm2      1.227

 ASSI { 2113}
   (( segid "   A" and resid 151  and name  HN  ))
   (( segid "   A" and resid 150  and name  HB2 ))
      4.425     2.212     2.212 peak  2113 weight  1.00000E+00 volume  -9.40775E+04 ppm1      8.536 ppm2      1.687

 ASSI { 2114}
   (( segid "   A" and resid 151  and name  HN  ))
   (( segid "   A" and resid 151  and name  HA  ))
      2.433     0.713     1.216 peak  2114 weight  1.00000E+00 volume  -3.40847E+06 ppm1      8.532 ppm2      4.692

 ASSI { 2115}
   (( segid "   A" and resid 161  and name  HA  ))
   (( segid "   A" and resid 151  and name  HN  ))
      4.743     2.371     2.371 peak  2115 weight  1.00000E+00 volume  -6.20723E+04 ppm1      8.540 ppm2      5.305

 ASSI { 2116}
   (( segid "   A" and resid 150  and name  HN  ))
   (( segid "   A" and resid 151  and name  HN  ))
      4.511     2.255     2.255 peak  2116 weight  1.00000E+00 volume  -8.38668E+04 ppm1      8.526 ppm2      9.083

 ASSI { 2117}
   (( segid "   A" and resid 152  and name  HN  ))
   (( segid "   A" and resid 151  and name  HN  ))
      4.671     2.336     2.336 peak  2117 weight  1.00000E+00 volume  -6.48100E+03 ppm1      8.532 ppm2      9.190

 ASSI { 2118}
   (( segid "   A" and resid 162  and name  HN  ))
   (( segid "   A" and resid 151  and name  HN  ))
      8.000     4.000     0.000 peak  2118 weight  1.00000E+00 volume  -7.08500E+03 ppm1      8.521 ppm2      9.257

 ASSI { 2121}
   (( segid "   A" and resid 152  and name  HN  ))
   (( segid "   A" and resid 151  and name  HN  ))
      4.035     2.017     2.017 peak  2121 weight  1.00000E+00 volume  1.63714E+05 ppm1      9.202 ppm2      8.536

 ASSI { 2122}
   (( segid "   A" and resid 152  and name  HN  ))
   (( segid "   A" and resid 161  and name  HN  ))
      4.795     2.398     2.398 peak  2122 weight  1.00000E+00 volume  -5.80721E+04 ppm1      9.185 ppm2      8.091

 ASSI { 2123}
   (( segid "   A" and resid 152  and name  HN  ))
   (( segid "   A" and resid 159  and name  HA  ))
      4.172     2.086     2.086 peak  2123 weight  1.00000E+00 volume  -1.33922E+05 ppm1      9.188 ppm2      5.218

 ASSI { 2124}
   (( segid "   A" and resid 152  and name  HN  ))
   (( segid "   A" and resid 153  and name  HA  ))
      4.880     2.440     2.440 peak  2124 weight  1.00000E+00 volume  -5.23158E+04 ppm1      9.189 ppm2      5.113

 ASSI { 2125}
   (( segid "   A" and resid 152  and name  HN  ))
   (( segid "   A" and resid 151  and name  HA  ))
      2.339     0.619     1.169 peak  2125 weight  1.00000E+00 volume  -4.31771E+06 ppm1      9.186 ppm2      4.693

 ASSI { 2126}
   (( segid "   A" and resid 152  and name  HN  ))
   (( segid "   A" and resid 160  and name  HA  ))
      3.376     1.656     1.688 peak  2126 weight  1.00000E+00 volume  -1.72855E+04 ppm1      9.189 ppm2      4.580

 ASSI { 2128}
   (( segid "   A" and resid 153  and name  HN  ))
   (  segid "   A" and resid 133  and name  HG2#)
      3.035     1.315     1.518 peak  2128 weight  1.00000E+00 volume  -4.58231E+04 ppm1      9.103 ppm2      0.776

 ASSI { 2131}
   (( segid "   A" and resid 153  and name  HN  ))
   (( segid "   A" and resid 154  and name  HA  ))
      4.105     2.053     2.053 peak  2131 weight  1.00000E+00 volume  -1.47558E+05 ppm1      9.103 ppm2      4.260

 ASSI { 2132}
   (( segid "   A" and resid 153  and name  HN  ))
   (( segid "   A" and resid 136  and name  HA  ))
      4.105     2.053     2.053 peak  2132 weight  1.00000E+00 volume  -1.47558E+05 ppm1      9.103 ppm2      4.298

 ASSI { 2133}
   (( segid "   A" and resid 153  and name  HN  ))
   (( segid "   A" and resid 136  and name  HB  ))
      3.913     1.957     1.957 peak  2133 weight  1.00000E+00 volume  -1.96625E+05 ppm1      9.103 ppm2      4.314

 ASSI { 2134}
   (( segid "   A" and resid 153  and name  HN  ))
   (( segid "   A" and resid 153  and name  HA  ))
      3.359     1.639     1.680 peak  2134 weight  1.00000E+00 volume  -4.91259E+05 ppm1      9.103 ppm2      5.112

 ASSI { 2135}
   (( segid "   A" and resid 153  and name  HN  ))
   (( segid "   A" and resid 159  and name  HA  ))
      3.811     1.905     1.905 peak  2135 weight  1.00000E+00 volume  -4.96752E+03 ppm1      9.101 ppm2      5.218

 ASSI { 2136}
   (( segid "   A" and resid 154  and name  HN  ))
   (( segid "   A" and resid 153  and name  HN  ))
      5.019     2.510     2.510 peak  2136 weight  1.00000E+00 volume  4.53951E+03 ppm1      9.107 ppm2      8.755

 ASSI { 2137}
   (( segid "   A" and resid 152  and name  HN  ))
   (( segid "   A" and resid 153  and name  HN  ))
      2.930     1.210     1.465 peak  2137 weight  1.00000E+00 volume  -2.85223E+04 ppm1      9.102 ppm2      9.188

 ASSI { 2138}
   (( segid "   A" and resid 134  and name  HN  ))
   (( segid "   A" and resid 153  and name  HN  ))
      5.702     2.851     2.298 peak  2138 weight  1.00000E+00 volume  3.91316E+03 ppm1      9.101 ppm2      9.414

 ASSI { 2139}
   (( segid "   A" and resid 154  and name  HN  ))
   (( segid "   A" and resid 153  and name  HN  ))
      5.118     2.559     2.559 peak  2139 weight  1.00000E+00 volume  -6.10456E+03 ppm1      8.764 ppm2      9.101

 ASSI { 2140}
   (( segid "   A" and resid 154  and name  HN  ))
   (( segid "   A" and resid 157  and name  HN  ))
      3.724     1.862     1.862 peak  2140 weight  1.00000E+00 volume  -1.87257E+04 ppm1      8.751 ppm2      8.895

 ASSI { 2142}
   (( segid "   A" and resid 154  and name  HN  ))
   (( segid "   A" and resid 156  and name  HN  ))
      4.108     2.054     2.054 peak  2142 weight  1.00000E+00 volume  1.46847E+05 ppm1      8.734 ppm2      6.720

 ASSI { 2143}
   (( segid "   A" and resid 154  and name  HN  ))
   (( segid "   A" and resid 159  and name  HA  ))
      2.947     1.227     1.474 peak  2143 weight  1.00000E+00 volume  -5.17805E+04 ppm1      8.751 ppm2      5.219

 ASSI { 2144}
   (( segid "   A" and resid 154  and name  HN  ))
   (( segid "   A" and resid 153  and name  HA  ))
      2.943     1.223     1.472 peak  2144 weight  1.00000E+00 volume  -1.08687E+06 ppm1      8.752 ppm2      5.113

 ASSI { 2145}
   (( segid "   A" and resid 154  and name  HN  ))
   (( segid "   A" and resid 158  and name  HA  ))
      3.665     1.833     1.833 peak  2145 weight  1.00000E+00 volume  -2.91215E+05 ppm1      8.751 ppm2      4.475

 ASSI { 2146}
   (( segid "   A" and resid 154  and name  HN  ))
   (( segid "   A" and resid 133  and name  HA  ))
      3.354     1.634     1.677 peak  2146 weight  1.00000E+00 volume  -4.96266E+05 ppm1      8.747 ppm2      4.030

 ASSI { 2147}
   (( segid "   A" and resid 154  and name  HN  ))
   (( segid "   A" and resid 153  and name  HB  ))
      5.491     2.745     2.509 peak  2147 weight  1.00000E+00 volume  -2.57773E+04 ppm1      8.755 ppm2      3.776

 ASSI { 2148}
   (( segid "   A" and resid 154  and name  HN  ))
   (( segid "   A" and resid 154  and name  HB  ))
      3.313     1.593     1.657 peak  2148 weight  1.00000E+00 volume  -5.34036E+05 ppm1      8.749 ppm2      1.958

 ASSI { 2154}
   (( segid "   A" and resid 154  and name  HN  ))
   (  segid "   A" and resid 160  and name  HD1#)
      3.492     1.746     1.746 peak  2154 weight  1.00000E+00 volume  -1.98488E+04 ppm1      8.750 ppm2      0.719

 ASSI { 2155}
   (( segid "   A" and resid 155  and name  HN  ))
   (  segid "   A" and resid 131  and name  HD1#)
      3.540     1.770     1.770 peak  2155 weight  1.00000E+00 volume  -2.32463E+04 ppm1      8.382 ppm2      0.798

 ASSI { 2156}
   (  segid "   A" and resid 156  and name  HG2#)
   (( segid "   A" and resid 155  and name  HN  ))
      3.553     1.776     1.776 peak  2156 weight  1.00000E+00 volume  -1.43028E+04 ppm1      8.380 ppm2      1.167

 ASSI { 2157}
   (( segid "   A" and resid 155  and name  HN  ))
   (  segid "   A" and resid 154  and name  HG1#)
      3.625     1.812     1.812 peak  2157 weight  1.00000E+00 volume  -1.30561E+04 ppm1      8.377 ppm2      1.191

 ASSI { 2158}
   (( segid "   A" and resid 155  and name  HN  ))
   (( segid "   A" and resid 131  and name  HB2 ))
      3.998     1.999     1.999 peak  2158 weight  1.00000E+00 volume  -1.54249E+04 ppm1      8.379 ppm2      1.757

 ASSI { 2159}
   (( segid "   A" and resid 155  and name  HN  ))
   (( segid "   A" and resid 154  and name  HB  ))
      3.817     1.908     1.908 peak  2159 weight  1.00000E+00 volume  -1.11301E+04 ppm1      8.382 ppm2      1.956

 ASSI { 2160}
   (( segid "   A" and resid 155  and name  HN  ))
   (( segid "   A" and resid 155  and name  HB2 ))
      3.613     1.807     1.807 peak  2160 weight  1.00000E+00 volume  -3.17476E+05 ppm1      8.381 ppm2      2.037

 ASSI { 2161}
   (( segid "   A" and resid 155  and name  HN  ))
   (( segid "   A" and resid 133  and name  HA  ))
      3.909     1.955     1.955 peak  2161 weight  1.00000E+00 volume  -1.97810E+05 ppm1      8.384 ppm2      4.036

 ASSI { 2162}
   (( segid "   A" and resid 155  and name  HN  ))
   (( segid "   A" and resid 132  and name  HB  ))
      3.593     1.797     1.797 peak  2162 weight  1.00000E+00 volume  -2.49606E+04 ppm1      8.381 ppm2      4.280

 ASSI { 2163}
   (( segid "   A" and resid 156  and name  HN  ))
   (( segid "   A" and resid 155  and name  HN  ))
      5.396     2.698     2.604 peak  2163 weight  1.00000E+00 volume  -6.59524E+03 ppm1      8.383 ppm2      6.717

 ASSI { 2164}
   (( segid "   A" and resid 154  and name  HN  ))
   (( segid "   A" and resid 155  and name  HN  ))
      6.067     3.034     1.933 peak  2164 weight  1.00000E+00 volume  -1.47632E+03 ppm1      8.382 ppm2      8.742

 ASSI { 2165}
   (( segid "   A" and resid 157  and name  HN  ))
   (( segid "   A" and resid 155  and name  HN  ))
      4.737     2.368     2.368 peak  2165 weight  1.00000E+00 volume  -7.59593E+03 ppm1      8.382 ppm2      8.917

 ASSI { 2166}
   (( segid "   A" and resid 134  and name  HN  ))
   (( segid "   A" and resid 155  and name  HN  ))
      5.108     2.554     2.554 peak  2166 weight  1.00000E+00 volume  -6.97942E+03 ppm1      8.384 ppm2      9.434

 ASSI { 2167}
   (( segid "   A" and resid 155  and name  HN  ))
   (( segid "   A" and resid 132  and name  HN  ))
      4.911     2.455     2.455 peak  2167 weight  1.00000E+00 volume  -6.99507E+03 ppm1      8.379 ppm2      9.776

 ASSI { 2168}
   (( segid "   A" and resid 156  and name  HN  ))
   (( segid "   A" and resid 132  and name  HN  ))
      6.474     3.237     1.526 peak  2168 weight  1.00000E+00 volume  -9.59643E+03 ppm1      6.709 ppm2      9.748

 ASSI { 2169}
   (( segid "   A" and resid 154  and name  HN  ))
   (( segid "   A" and resid 156  and name  HN  ))
      4.139     2.070     2.070 peak  2169 weight  1.00000E+00 volume  -1.40445E+05 ppm1      6.724 ppm2      8.759

 ASSI { 2170}
   (( segid "   A" and resid 156  and name  HN  ))
   (( segid "   A" and resid 104  and name  HA  ))
      4.073     2.037     2.037 peak  2170 weight  1.00000E+00 volume  -1.54677E+05 ppm1      6.722 ppm2      4.713

 ASSI { 2171}
   (( segid "   A" and resid 156  and name  HN  ))
   (( segid "   A" and resid 154  and name  HA  ))
      3.834     1.917     1.917 peak  2171 weight  1.00000E+00 volume  -2.22209E+05 ppm1      6.720 ppm2      4.258

 ASSI { 2172}
   (( segid "   A" and resid 158  and name  HB2 ))
   (( segid "   A" and resid 156  and name  HN  ))
      5.062     2.531     2.531 peak  2172 weight  1.00000E+00 volume  5.97466E+03 ppm1      6.711 ppm2      3.062

 ASSI { 2173}
   (( segid "   A" and resid 156  and name  HN  ))
   (( segid "   A" and resid 155  and name  HB2 ))
      4.119     2.060     2.060 peak  2173 weight  1.00000E+00 volume  -8.61569E+03 ppm1      6.720 ppm2      2.036

 ASSI { 2174}
   (( segid "   A" and resid 156  and name  HN  ))
   (( segid "   A" and resid 131  and name  HB2 ))
      6.194     3.097     1.806 peak  2174 weight  1.00000E+00 volume  3.37409E+03 ppm1      6.720 ppm2      1.744

 ASSI { 2176}
   (( segid "   A" and resid 156  and name  HN  ))
   (  segid "   A" and resid 131  and name  HD1#)
      3.944     1.972     1.972 peak  2176 weight  1.00000E+00 volume  -1.15556E+04 ppm1      6.722 ppm2      0.802

 ASSI { 2178}
   (( segid "   A" and resid 157  and name  HN  ))
   (( segid "   A" and resid 155  and name  HG1 ))
      4.166     2.083     2.083 peak  2178 weight  1.00000E+00 volume  -1.35156E+05 ppm1      8.893 ppm2      2.314

 ASSI { 2179}
   (( segid "   A" and resid 157  and name  HN  ))
   (( segid "   A" and resid 155  and name  HG2 ))
      3.945     1.973     1.973 peak  2179 weight  1.00000E+00 volume  -1.14306E+04 ppm1      8.890 ppm2      2.448

 ASSI { 2180}
   (( segid "   A" and resid 157  and name  HN  ))
   (( segid "   A" and resid 158  and name  HB2 ))
      4.923     2.462     2.462 peak  2180 weight  1.00000E+00 volume  -4.95940E+04 ppm1      8.899 ppm2      3.061

 ASSI { 2181}
   (( segid "   A" and resid 157  and name  HN  ))
   (( segid "   A" and resid 156  and name  HB  ))
      4.933     2.466     2.466 peak  2181 weight  1.00000E+00 volume  -4.90203E+04 ppm1      8.883 ppm2      3.811

 ASSI { 2182}
   (( segid "   A" and resid 157  and name  HN  ))
   (( segid "   A" and resid 154  and name  HA  ))
      3.970     1.985     1.985 peak  2182 weight  1.00000E+00 volume  -1.80413E+05 ppm1      8.892 ppm2      4.256

 ASSI { 2183}
   (( segid "   A" and resid 157  and name  HN  ))
   (( segid "   A" and resid 155  and name  HA  ))
      3.970     1.985     1.985 peak  2183 weight  1.00000E+00 volume  -1.80413E+05 ppm1      8.893 ppm2      4.271

 ASSI { 2184}
   (( segid "   A" and resid 157  and name  HN  ))
   (( segid "   A" and resid 156  and name  HA  ))
      2.649     0.929     1.324 peak  2184 weight  1.00000E+00 volume  -2.04483E+06 ppm1      8.893 ppm2      4.475

 ASSI { 2185}
   (( segid "   A" and resid 154  and name  HN  ))
   (( segid "   A" and resid 157  and name  HN  ))
      4.347     2.173     2.173 peak  2185 weight  1.00000E+00 volume  -1.04686E+05 ppm1      8.897 ppm2      8.753

 ASSI { 2186}
   (( segid "   A" and resid 154  and name  HN  ))
   (( segid "   A" and resid 158  and name  HN  ))
      5.024     2.512     2.512 peak  2186 weight  1.00000E+00 volume  -4.39022E+04 ppm1      7.054 ppm2      8.749

 ASSI { 2187}
   (( segid "   A" and resid 159  and name  HN  ))
   (( segid "   A" and resid 158  and name  HN  ))
      4.017     2.008     2.008 peak  2187 weight  1.00000E+00 volume  -1.68202E+05 ppm1      7.056 ppm2      7.257

 ASSI { 2188}
   (( segid "   A" and resid 158  and name  HN  ))
   (( segid "   A" and resid 156  and name  HN  ))
      3.626     1.813     1.813 peak  2188 weight  1.00000E+00 volume  -3.10805E+05 ppm1      7.052 ppm2      6.721

 ASSI { 2191}
   (( segid "   A" and resid 158  and name  HA  ))
   (( segid "   A" and resid 158  and name  HN  ))
      2.886     1.166     1.443 peak  2191 weight  1.00000E+00 volume  -7.43743E+04 ppm1      7.050 ppm2      4.475

 ASSI { 2194}
   (( segid "   A" and resid 158  and name  HN  ))
   (  segid "   A" and resid 131  and name  HD1#)
      4.623     2.311     2.311 peak  2194 weight  1.00000E+00 volume  -7.23838E+04 ppm1      7.045 ppm2      0.798

 ASSI { 2196}
   (( segid "   A" and resid 159  and name  HN  ))
   (( segid "   A" and resid 153  and name  HA  ))
      3.820     1.910     1.910 peak  2196 weight  1.00000E+00 volume  -2.27334E+05 ppm1      7.255 ppm2      5.118

 ASSI { 2197}
   (( segid "   A" and resid 159  and name  HN  ))
   (( segid "   A" and resid 158  and name  HN  ))
      3.866     1.933     1.933 peak  2197 weight  1.00000E+00 volume  -2.11473E+05 ppm1      7.254 ppm2      7.051

 ASSI { 2198}
   (( segid "   A" and resid 160  and name  HN  ))
   (( segid "   A" and resid 153  and name  HN  ))
      3.870     1.935     1.935 peak  2198 weight  1.00000E+00 volume  -2.10196E+05 ppm1      8.884 ppm2      9.104

 ASSI { 2200}
   (( segid "   A" and resid 160  and name  HN  ))
   (( segid "   A" and resid 161  and name  HN  ))
      5.644     2.822     2.356 peak  2200 weight  1.00000E+00 volume  2.18500E+04 ppm1      8.888 ppm2      8.104

 ASSI { 2201}
   (( segid "   A" and resid 160  and name  HN  ))
   (( segid "   A" and resid 159  and name  HN  ))
      4.776     2.388     2.388 peak  2201 weight  1.00000E+00 volume  5.95194E+04 ppm1      8.864 ppm2      7.249

 ASSI { 2202}
   (( segid "   A" and resid 160  and name  HN  ))
   (  segid "   A" and resid 158  and name  HD# )
      4.634     2.317     2.317 peak  2202 weight  1.00000E+00 volume  7.13309E+04 ppm1      8.885 ppm2      6.846

 ASSI { 2203}
   (( segid "   A" and resid 160  and name  HN  ))
   (( segid "   A" and resid 161  and name  HA  ))
      3.315     1.595     1.657 peak  2203 weight  1.00000E+00 volume  -5.32252E+05 ppm1      8.882 ppm2      5.302

 ASSI { 2204}
   (( segid "   A" and resid 160  and name  HN  ))
   (( segid "   A" and resid 153  and name  HA  ))
      3.136     1.416     1.568 peak  2204 weight  1.00000E+00 volume  -7.41945E+05 ppm1      8.881 ppm2      5.115

 ASSI { 2205}
   (( segid "   A" and resid 160  and name  HN  ))
   (( segid "   A" and resid 152  and name  HA  ))
      4.016     2.008     2.008 peak  2205 weight  1.00000E+00 volume  1.68298E+05 ppm1      8.884 ppm2      4.916

 ASSI { 2207}
   (( segid "   A" and resid 160  and name  HN  ))
   (( segid "   A" and resid 160  and name  HA  ))
      3.273     1.553     1.637 peak  2207 weight  1.00000E+00 volume  -5.74251E+05 ppm1      8.881 ppm2      4.578

 ASSI { 2208}
   (( segid "   A" and resid 160  and name  HN  ))
   (( segid "   A" and resid 159  and name  HB  ))
      4.311     2.156     2.156 peak  2208 weight  1.00000E+00 volume  -1.10000E+05 ppm1      8.883 ppm2      3.647

 ASSI { 2210}
   (( segid "   A" and resid 160  and name  HN  ))
   (( segid "   A" and resid 160  and name  HB2 ))
      3.611     1.806     1.806 peak  2210 weight  1.00000E+00 volume  -1.20776E+04 ppm1      8.881 ppm2      1.563

 ASSI { 2211}
   (( segid "   A" and resid 160  and name  HN  ))
   (  segid "   A" and resid 152  and name  HB# )
      3.549     1.774     1.774 peak  2211 weight  1.00000E+00 volume  -3.53457E+05 ppm1      8.880 ppm2      1.221

 ASSI { 2212}
   (( segid "   A" and resid 160  and name  HN  ))
   (  segid "   A" and resid 154  and name  HG1#)
      3.468     1.734     1.734 peak  2212 weight  1.00000E+00 volume  -4.06079E+05 ppm1      8.880 ppm2      1.190

 ASSI { 2213}
   (  segid "   A" and resid 162  and name  HG1#)
   (( segid "   A" and resid 161  and name  HN  ))
      4.172     2.086     2.086 peak  2213 weight  1.00000E+00 volume  -7.06891E+03 ppm1      8.100 ppm2      0.569

 ASSI { 2214}
   (( segid "   A" and resid 161  and name  HN  ))
   (( segid "   A" and resid 160  and name  HB2 ))
      4.237     2.119     2.119 peak  2214 weight  1.00000E+00 volume  -1.22038E+05 ppm1      8.103 ppm2      1.552

 ASSI { 2216}
   (( segid "   A" and resid 160  and name  HN  ))
   (( segid "   A" and resid 161  and name  HN  ))
      4.992     2.496     2.496 peak  2216 weight  1.00000E+00 volume  -4.56500E+04 ppm1      8.122 ppm2      8.878

 ASSI { 2217}
   (( segid "   A" and resid 152  and name  HN  ))
   (( segid "   A" and resid 161  and name  HN  ))
      4.598     2.299     2.299 peak  2217 weight  1.00000E+00 volume  -8.23755E+03 ppm1      8.107 ppm2      9.189

 ASSI { 2218}
   (( segid "   A" and resid 162  and name  HN  ))
   (( segid "   A" and resid 161  and name  HN  ))
      4.668     2.334     2.334 peak  2218 weight  1.00000E+00 volume  -7.78212E+03 ppm1      8.107 ppm2      9.265

 ASSI { 2219}
   (( segid "   A" and resid 162  and name  HN  ))
   (( segid "   A" and resid 152  and name  HN  ))
      3.153     1.433     1.577 peak  2219 weight  1.00000E+00 volume  -2.27554E+04 ppm1      9.285 ppm2      9.189

 ASSI { 2220}
   (( segid "   A" and resid 162  and name  HN  ))
   (( segid "   A" and resid 161  and name  HN  ))
      4.343     2.172     2.172 peak  2220 weight  1.00000E+00 volume  -1.05244E+05 ppm1      9.298 ppm2      8.113

 ASSI { 2221}
   (( segid "   A" and resid 162  and name  HN  ))
   (( segid "   A" and resid 151  and name  HA  ))
      3.252     1.532     1.626 peak  2221 weight  1.00000E+00 volume  -5.97214E+05 ppm1      9.290 ppm2      4.693

 ASSI { 2222}
   (( segid "   A" and resid 162  and name  HN  ))
   (( segid "   A" and resid 150  and name  HA  ))
      3.235     1.515     1.618 peak  2222 weight  1.00000E+00 volume  -6.15659E+05 ppm1      9.287 ppm2      4.728

 ASSI { 2224}
   (( segid "   A" and resid 162  and name  HN  ))
   (( segid "   A" and resid 161  and name  HB2 ))
      4.235     2.118     2.118 peak  2224 weight  1.00000E+00 volume  -1.22400E+05 ppm1      9.285 ppm2      2.634

 ASSI { 2225}
   (( segid "   A" and resid 162  and name  HN  ))
   (( segid "   A" and resid 150  and name  HB2 ))
      4.414     2.207     2.207 peak  2225 weight  1.00000E+00 volume  -9.54969E+04 ppm1      9.298 ppm2      1.691

 ASSI { 2226}
   (( segid "   A" and resid 162  and name  HN  ))
   (  segid "   A" and resid 152  and name  HB# )
      4.415     2.208     2.208 peak  2226 weight  1.00000E+00 volume  -9.53358E+04 ppm1      9.285 ppm2      1.221

 ASSI { 2227}
   (( segid "   A" and resid 162  and name  HN  ))
   (  segid "   A" and resid 149  and name  HG2#)
      3.598     1.799     1.799 peak  2227 weight  1.00000E+00 volume  -1.85415E+04 ppm1      9.286 ppm2      0.832

 ASSI { 2229}
   (( segid "   A" and resid 164  and name  HN  ))
   (  segid "   A" and resid 149  and name  HG2#)
      3.143     1.423     1.571 peak  2229 weight  1.00000E+00 volume  -7.33246E+05 ppm1      7.787 ppm2      0.827

 ASSI { 2231}
   (( segid "   A" and resid 164  and name  HN  ))
   (( segid "   A" and resid 149  and name  HA  ))
      3.696     1.848     1.848 peak  2231 weight  1.00000E+00 volume  -2.76980E+05 ppm1      7.784 ppm2      4.776

 ASSI { 2232}
   (( segid "   A" and resid 150  and name  HN  ))
   (( segid "   A" and resid 164  and name  HN  ))
      6.126     3.063     1.874 peak  2232 weight  1.00000E+00 volume  -1.33655E+04 ppm1      7.788 ppm2      9.105

 ASSI { 2234}
   (( segid "   A" and resid 165  and name  HN  ))
   (  segid "   A" and resid 165  and name  HD# )
      4.472     2.236     2.236 peak  2234 weight  1.00000E+00 volume  -8.83397E+04 ppm1      6.453 ppm2      7.107

 ASSI { 2235}
   (( segid "   A" and resid 166  and name  HN  ))
   (( segid "   A" and resid 165  and name  HN  ))
      4.776     2.388     2.388 peak  2235 weight  1.00000E+00 volume  -1.72703E+04 ppm1      6.456 ppm2      6.723

 ASSI { 2236}
   (( segid "   A" and resid 165  and name  HA  ))
   (( segid "   A" and resid 165  and name  HN  ))
      3.436     1.716     1.718 peak  2236 weight  1.00000E+00 volume  -2.35419E+04 ppm1      6.450 ppm2      4.498

 ASSI { 2237}
   (( segid "   A" and resid 165  and name  HN  ))
   (( segid "   A" and resid 163  and name  HA  ))
      6.332     3.166     1.668 peak  2237 weight  1.00000E+00 volume  -6.33907E+03 ppm1      6.450 ppm2      4.282

 ASSI { 2239}
   (( segid "   A" and resid 165  and name  HN  ))
   (( segid "   A" and resid 165  and name  HB2 ))
      4.361     2.180     2.180 peak  2239 weight  1.00000E+00 volume  -1.28582E+04 ppm1      6.452 ppm2      3.467

 ASSI { 2240}
   (( segid "   A" and resid 165  and name  HN  ))
   (( segid "   A" and resid 163  and name  HB2 ))
      4.239     2.120     2.120 peak  2240 weight  1.00000E+00 volume  -1.51910E+04 ppm1      6.453 ppm2      2.012

 ASSI { 2241}
   (( segid "   A" and resid 165  and name  HN  ))
   (( segid "   A" and resid 164  and name  HB2 ))
      3.838     1.919     1.919 peak  2241 weight  1.00000E+00 volume  -9.22223E+03 ppm1      6.456 ppm2      1.656

 ASSI { 2242}
   (( segid "   A" and resid 165  and name  HN  ))
   (  segid "   A" and resid 164  and name  HD2#)
      4.382     2.191     2.191 peak  2242 weight  1.00000E+00 volume  -9.47564E+03 ppm1      6.468 ppm2      0.834

 ASSI { 2243}
   (  segid "   A" and resid 166  and name  HG1#)
   (( segid "   A" and resid 165  and name  HN  ))
      4.214     2.107     2.107 peak  2243 weight  1.00000E+00 volume  -5.69531E+03 ppm1      6.452 ppm2      0.679

 ASSI { 2244}
   (( segid "   A" and resid 165  and name  HN  ))
   (  segid "   A" and resid 164  and name  HD1#)
      4.469     2.234     2.234 peak  2244 weight  1.00000E+00 volume  -5.63777E+03 ppm1      6.445 ppm2      0.636

 ASSI { 2246}
   (( segid "   A" and resid 166  and name  HN  ))
   (( segid "   A" and resid 163  and name  HB2 ))
      5.850     2.925     2.150 peak  2246 weight  1.00000E+00 volume  1.76230E+04 ppm1      6.727 ppm2      1.980

 ASSI { 2247}
   (( segid "   A" and resid 166  and name  HN  ))
   (( segid "   A" and resid 165  and name  HB2 ))
      4.333     2.167     2.167 peak  2247 weight  1.00000E+00 volume  -1.06708E+05 ppm1      6.732 ppm2      3.470

 ASSI { 2248}
   (( segid "   A" and resid 166  and name  HN  ))
   (( segid "   A" and resid 164  and name  HA  ))
      4.545     2.273     2.273 peak  2248 weight  1.00000E+00 volume  -8.00806E+04 ppm1      6.731 ppm2      3.519

 ASSI { 2249}
   (( segid "   A" and resid 166  and name  HN  ))
   (  segid "   A" and resid 165  and name  HD# )
      3.788     1.894     1.894 peak  2249 weight  1.00000E+00 volume  -2.18680E+04 ppm1      6.734 ppm2      7.103

 ASSI { 2250}
   (( segid "   A" and resid 166  and name  HN  ))
   (( segid "   A" and resid 167  and name  HN  ))
      5.285     2.642     2.642 peak  2250 weight  1.00000E+00 volume  -7.04404E+03 ppm1      6.722 ppm2      9.128

 ASSI { 2251}
   (( segid "   A" and resid 167  and name  HA  ))
   (( segid "   A" and resid 167  and name  HN  ))
      3.465     1.733     1.733 peak  2251 weight  1.00000E+00 volume  -4.07844E+05 ppm1      9.122 ppm2      5.046

 ASSI { 2253}
   (( segid "   A" and resid 168  and name  HN  ))
   (  segid "   A" and resid 133  and name  HG2#)
      3.711     1.855     1.855 peak  2253 weight  1.00000E+00 volume  -2.70437E+05 ppm1      8.791 ppm2      0.777

 ASSI { 2255}
   (( segid "   A" and resid 168  and name  HN  ))
   (( segid "   A" and resid 167  and name  HB1 ))
      3.200     1.480     1.600 peak  2255 weight  1.00000E+00 volume  -6.58145E+05 ppm1      8.788 ppm2      2.610

 ASSI { 2258}
   (( segid "   A" and resid 168  and name  HN  ))
   (( segid "   A" and resid 167  and name  HN  ))
      4.112     2.056     2.056 peak  2258 weight  1.00000E+00 volume  -1.12553E+04 ppm1      8.787 ppm2      9.132

 ASSI { 2259}
   (( segid "   A" and resid 133  and name  HN  ))
   (( segid "   A" and resid 169  and name  HN  ))
      5.147     2.573     2.573 peak  2259 weight  1.00000E+00 volume  -6.60378E+03 ppm1      8.782 ppm2      9.203

 ASSI { 2261}
   (( segid "   A" and resid 169  and name  HN  ))
   (( segid "   A" and resid 134  and name  HA  ))
      3.153     1.433     1.577 peak  2261 weight  1.00000E+00 volume  -4.40312E+04 ppm1      8.787 ppm2      4.428

 ASSI { 2262}
   (( segid "   A" and resid 169  and name  HN  ))
   (( segid "   A" and resid 170  and name  HB2 ))
      4.549     2.274     2.274 peak  2262 weight  1.00000E+00 volume  -8.49710E+03 ppm1      8.789 ppm2      2.973

 ASSI { 2264}
   (( segid "   A" and resid 170  and name  HN  ))
   (  segid "   A" and resid 166  and name  HG1#)
      6.017     3.008     1.983 peak  2264 weight  1.00000E+00 volume  -1.48845E+04 ppm1      7.850 ppm2      0.683

 ASSI { 2265}
   (( segid "   A" and resid 170  and name  HN  ))
   (  segid "   A" and resid 132  and name  HG2#)
      3.224     1.504     1.612 peak  2265 weight  1.00000E+00 volume  -6.28751E+05 ppm1      7.846 ppm2      1.081

 ASSI { 2266}
   (( segid "   A" and resid 170  and name  HN  ))
   (( segid "   A" and resid 167  and name  HB1 ))
      3.388     1.668     1.694 peak  2266 weight  1.00000E+00 volume  -1.05159E+04 ppm1      7.848 ppm2      2.578

 ASSI { 2267}
   (( segid "   A" and resid 171  and name  HA  ))
   (( segid "   A" and resid 170  and name  HN  ))
      4.082     2.041     2.041 peak  2267 weight  1.00000E+00 volume  -1.05304E+03 ppm1      7.845 ppm2      4.293

 ASSI { 2269}
   (( segid "   A" and resid 170  and name  HA  ))
   (( segid "   A" and resid 170  and name  HN  ))
      2.854     1.134     1.427 peak  2269 weight  1.00000E+00 volume  -1.30696E+06 ppm1      7.846 ppm2      4.630

 ASSI { 2270}
   (( segid "   A" and resid 170  and name  HN  ))
   (( segid "   A" and resid 132  and name  HA  ))
      3.554     1.777     1.777 peak  2270 weight  1.00000E+00 volume  -3.50674E+05 ppm1      7.844 ppm2      4.781

 ASSI { 2271}
   (( segid "   A" and resid 171  and name  HN  ))
   (( segid "   A" and resid 170  and name  HN  ))
      3.774     1.887     1.887 peak  2271 weight  1.00000E+00 volume  -2.44469E+05 ppm1      7.851 ppm2      8.655

 ASSI { 2272}
   (( segid "   A" and resid 171  and name  HN  ))
   (( segid "   A" and resid 170  and name  HN  ))
      4.331     2.166     2.166 peak  2272 weight  1.00000E+00 volume  -1.06974E+05 ppm1      8.663 ppm2      7.837

 ASSI { 2273}
   (( segid "   A" and resid 171  and name  HN  ))
   (( segid "   A" and resid 132  and name  HA  ))
      3.412     1.692     1.706 peak  2273 weight  1.00000E+00 volume  -4.47323E+05 ppm1      8.652 ppm2      4.769

 ASSI { 2274}
   (( segid "   A" and resid 171  and name  HA  ))
   (( segid "   A" and resid 171  and name  HN  ))
      3.669     1.835     1.835 peak  2274 weight  1.00000E+00 volume  -2.89475E+05 ppm1      8.656 ppm2      4.310

 ASSI { 2278}
   (( segid "   A" and resid 172  and name  HN  ))
   (  segid "   A" and resid 133  and name  HG1#)
      2.850     1.130     1.425 peak  2278 weight  1.00000E+00 volume  -1.31746E+06 ppm1      9.305 ppm2      0.966

 ASSI { 2280}
   (( segid "   A" and resid 172  and name  HN  ))
   (  segid "   A" and resid 154  and name  HG1#)
      3.877     1.938     1.938 peak  2280 weight  1.00000E+00 volume  -2.08044E+05 ppm1      9.309 ppm2      1.190

 ASSI { 2281}
   (( segid "   A" and resid 172  and name  HN  ))
   (( segid "   A" and resid 131  and name  HB2 ))
      3.527     1.763     1.763 peak  2281 weight  1.00000E+00 volume  -3.67021E+05 ppm1      9.306 ppm2      1.758

 ASSI { 2283}
   (( segid "   A" and resid 172  and name  HN  ))
   (( segid "   A" and resid 171  and name  HB  ))
      2.875     1.155     1.437 peak  2283 weight  1.00000E+00 volume  -1.25167E+06 ppm1      9.305 ppm2      1.888

 ASSI { 2285}
   (( segid "   A" and resid 172  and name  HN  ))
   (( segid "   A" and resid 130  and name  HB2 ))
      3.668     1.834     1.834 peak  2285 weight  1.00000E+00 volume  -1.43664E+04 ppm1      9.306 ppm2      2.025

 ASSI { 2286}
   (( segid "   A" and resid 172  and name  HN  ))
   (( segid "   A" and resid 132  and name  HA  ))
      3.128     1.408     1.564 peak  2286 weight  1.00000E+00 volume  -5.35606E+04 ppm1      9.305 ppm2      4.791

 ASSI { 2287}
   (( segid "   A" and resid 172  and name  HA  ))
   (( segid "   A" and resid 172  and name  HN  ))
      4.130     2.065     2.065 peak  2287 weight  1.00000E+00 volume  -1.42377E+05 ppm1      9.308 ppm2      4.975

 ASSI { 2288}
   (( segid "   A" and resid 172  and name  HN  ))
   (( segid "   A" and resid 130  and name  HA  ))
      3.150     1.430     1.575 peak  2288 weight  1.00000E+00 volume  -7.22345E+05 ppm1      9.308 ppm2      5.471

 ASSI { 2289}
   (( segid "   A" and resid 173  and name  HN  ))
   (( segid "   A" and resid 172  and name  HN  ))
      5.866     2.933     2.134 peak  2289 weight  1.00000E+00 volume  -1.73362E+04 ppm1      9.308 ppm2      8.787

 ASSI { 2290}
   (( segid "   A" and resid 131  and name  HN  ))
   (( segid "   A" and resid 172  and name  HN  ))
      4.137     2.069     2.069 peak  2290 weight  1.00000E+00 volume  -9.82563E+03 ppm1      9.305 ppm2      8.947

 ASSI { 2292}
   (( segid "   A" and resid 174  and name  HN  ))
   (  segid "   A" and resid 129  and name  HG2#)
      3.023     1.303     1.511 peak  2292 weight  1.00000E+00 volume  -5.78142E+04 ppm1      8.978 ppm2      0.699

 ASSI { 2295}
   (( segid "   A" and resid 174  and name  HN  ))
   (  segid "   A" and resid 182  and name  HD1#)
      3.191     1.471     1.595 peak  2295 weight  1.00000E+00 volume  -6.69205E+05 ppm1      8.977 ppm2      1.004

 ASSI { 2296}
   (( segid "   A" and resid 174  and name  HN  ))
   (( segid "   A" and resid 130  and name  HB1 ))
      4.869     2.434     2.434 peak  2296 weight  1.00000E+00 volume  -5.30144E+04 ppm1      8.981 ppm2      1.885

 ASSI { 2297}
   (( segid "   A" and resid 174  and name  HN  ))
   (( segid "   A" and resid 173  and name  HB  ))
      4.869     2.434     2.434 peak  2297 weight  1.00000E+00 volume  -6.61609E+02 ppm1      8.980 ppm2      1.896

 ASSI { 2298}
   (( segid "   A" and resid 174  and name  HN  ))
   (( segid "   A" and resid 130  and name  HB2 ))
      5.047     2.523     2.523 peak  2298 weight  1.00000E+00 volume  -1.13525E+03 ppm1      8.982 ppm2      2.018

 ASSI { 2299}
   (( segid "   A" and resid 174  and name  HN  ))
   (( segid "   A" and resid 174  and name  HA  ))
      3.366     1.646     1.683 peak  2299 weight  1.00000E+00 volume  -1.58282E+04 ppm1      8.974 ppm2      4.609

 ASSI { 2302}
   (( segid "   A" and resid 174  and name  HN  ))
   (( segid "   A" and resid 173  and name  HA  ))
      2.830     1.110     1.415 peak  2302 weight  1.00000E+00 volume  -8.81937E+04 ppm1      8.975 ppm2      4.705

 ASSI { 2303}
   (( segid "   A" and resid 174  and name  HN  ))
   (( segid "   A" and resid 175  and name  HA  ))
      3.476     1.738     1.738 peak  2303 weight  1.00000E+00 volume  -1.71692E+04 ppm1      8.972 ppm2      4.800

 ASSI { 2304}
   (( segid "   A" and resid 174  and name  HN  ))
   (( segid "   A" and resid 130  and name  HA  ))
      3.826     1.913     1.913 peak  2304 weight  1.00000E+00 volume  -1.44348E+04 ppm1      8.973 ppm2      5.473

 ASSI { 2305}
   (( segid "   A" and resid 174  and name  HN  ))
   (( segid "   A" and resid 130  and name  HN  ))
      5.227     2.613     2.613 peak  2305 weight  1.00000E+00 volume  -1.45381E+03 ppm1      8.995 ppm2      8.030

 ASSI { 2306}
   (( segid "   A" and resid 174  and name  HN  ))
   (( segid "   A" and resid 182  and name  HN  ))
      3.911     1.956     1.956 peak  2306 weight  1.00000E+00 volume  -1.73560E+04 ppm1      8.982 ppm2      8.478

 ASSI { 2307}
   (( segid "   A" and resid 174  and name  HN  ))
   (( segid "   A" and resid 173  and name  HN  ))
      3.933     1.967     1.967 peak  2307 weight  1.00000E+00 volume  -1.25466E+04 ppm1      8.978 ppm2      8.808

 ASSI { 2308}
   (( segid "   A" and resid 174  and name  HN  ))
   (( segid "   A" and resid 175  and name  HN  ))
      3.436     1.716     1.718 peak  2308 weight  1.00000E+00 volume  -1.38228E+04 ppm1      8.974 ppm2      8.884

 ASSI { 2311}
   (( segid "   A" and resid 175  and name  HN  ))
   (( segid "   A" and resid 181  and name  HN  ))
      6.344     3.172     1.656 peak  2311 weight  1.00000E+00 volume  -7.72824E+03 ppm1      8.869 ppm2      8.626

 ASSI { 2312}
   (( segid "   A" and resid 182  and name  HN  ))
   (( segid "   A" and resid 175  and name  HN  ))
      4.451     2.226     2.226 peak  2312 weight  1.00000E+00 volume  1.11116E+04 ppm1      8.884 ppm2      8.454

 ASSI { 2313}
   (( segid "   A" and resid 175  and name  HN  ))
   (( segid "   A" and resid 179  and name  HN  ))
      5.096     2.548     2.548 peak  2313 weight  1.00000E+00 volume  -4.73859E+03 ppm1      8.873 ppm2      8.148

 ASSI { 2315}
   (( segid "   A" and resid 175  and name  HN  ))
   (( segid "   A" and resid 175  and name  HA  ))
      3.120     1.400     1.560 peak  2315 weight  1.00000E+00 volume  -2.92839E+04 ppm1      8.874 ppm2      4.806

 ASSI { 2316}
   (( segid "   A" and resid 175  and name  HN  ))
   (( segid "   A" and resid 181  and name  HA  ))
      2.953     1.233     1.476 peak  2316 weight  1.00000E+00 volume  -3.91211E+04 ppm1      8.880 ppm2      4.624

 ASSI { 2317}
   (( segid "   A" and resid 175  and name  HN  ))
   (( segid "   A" and resid 174  and name  HA  ))
      2.969     1.249     1.484 peak  2317 weight  1.00000E+00 volume  -1.03172E+06 ppm1      8.879 ppm2      4.608

 ASSI { 2319}
   (( segid "   A" and resid 175  and name  HN  ))
   (( segid "   A" and resid 179  and name  HA1 ))
      5.507     2.753     2.493 peak  2319 weight  1.00000E+00 volume  2.53242E+04 ppm1      8.872 ppm2      3.924

 ASSI { 2320}
   (( segid "   A" and resid 175  and name  HN  ))
   (( segid "   A" and resid 174  and name  HB  ))
      3.355     1.635     1.678 peak  2320 weight  1.00000E+00 volume  -2.35140E+04 ppm1      8.883 ppm2      1.538

 ASSI { 2321}
   (( segid "   A" and resid 175  and name  HN  ))
   (  segid "   A" and resid 128  and name  HG2#)
      3.080     1.360     1.540 peak  2321 weight  1.00000E+00 volume  -3.74281E+04 ppm1      8.878 ppm2      0.963

 ASSI { 2324}
   (( segid "   A" and resid 176  and name  HN  ))
   (( segid "   A" and resid 174  and name  HB  ))
      4.394     2.197     2.197 peak  2324 weight  1.00000E+00 volume  -3.31345E+03 ppm1      8.280 ppm2      1.536

 ASSI { 2325}
   (( segid "   A" and resid 176  and name  HN  ))
   (( segid "   A" and resid 127  and name  HA  ))
      3.470     1.735     1.735 peak  2325 weight  1.00000E+00 volume  -2.63376E+04 ppm1      8.276 ppm2      3.770

 ASSI { 2326}
   (( segid "   A" and resid 176  and name  HN  ))
   (( segid "   A" and resid 128  and name  HN  ))
      4.100     2.050     2.050 peak  2326 weight  1.00000E+00 volume  8.59691E+03 ppm1      8.274 ppm2      7.417

 ASSI { 2327}
   (( segid "   A" and resid 176  and name  HN  ))
   (( segid "   A" and resid 179  and name  HN  ))
      3.425     1.705     1.712 peak  2327 weight  1.00000E+00 volume  -1.14660E+04 ppm1      8.270 ppm2      8.149

 ASSI { 2328}
   (( segid "   A" and resid 176  and name  HN  ))
   (( segid "   A" and resid 177  and name  HN  ))
      3.625     1.812     1.812 peak  2328 weight  1.00000E+00 volume  -2.61806E+04 ppm1      8.273 ppm2      8.844

 ASSI { 2329}
   (( segid "   A" and resid 179  and name  HN  ))
   (( segid "   A" and resid 177  and name  HN  ))
      4.154     2.077     2.077 peak  2329 weight  1.00000E+00 volume  -8.74721E+03 ppm1      8.837 ppm2      8.146

 ASSI { 2330}
   (( segid "   A" and resid 178  and name  HN  ))
   (( segid "   A" and resid 177  and name  HN  ))
      4.102     2.051     2.051 peak  2330 weight  1.00000E+00 volume  -1.48290E+05 ppm1      8.844 ppm2      7.070

 ASSI { 2331}
   (( segid "   A" and resid 177  and name  HN  ))
   (( segid "   A" and resid 128  and name  HA  ))
      5.174     2.587     2.587 peak  2331 weight  1.00000E+00 volume  -3.68225E+04 ppm1      8.848 ppm2      5.446

 ASSI { 2332}
   (( segid "   A" and resid 177  and name  HN  ))
   (( segid "   A" and resid 175  and name  HA  ))
      2.961     1.241     1.480 peak  2332 weight  1.00000E+00 volume  -4.04637E+04 ppm1      8.835 ppm2      4.812

 ASSI { 2333}
   (( segid "   A" and resid 177  and name  HN  ))
   (( segid "   A" and resid 176  and name  HB  ))
      2.984     1.264     1.492 peak  2333 weight  1.00000E+00 volume  -6.37978E+04 ppm1      8.839 ppm2      3.757

 ASSI { 2335}
   (( segid "   A" and resid 177  and name  HN  ))
   (( segid "   A" and resid 176  and name  HA  ))
      4.550     2.275     2.275 peak  2335 weight  1.00000E+00 volume  -7.96332E+04 ppm1      8.836 ppm2      2.873

 ASSI { 2336}
   (( segid "   A" and resid 178  and name  HB2 ))
   (( segid "   A" and resid 177  and name  HN  ))
      4.777     2.389     2.389 peak  2336 weight  1.00000E+00 volume  -5.94148E+04 ppm1      8.841 ppm2      2.444

 ASSI { 2337}
   (( segid "   A" and resid 177  and name  HN  ))
   (( segid "   A" and resid 127  and name  HB2 ))
      4.719     2.360     2.360 peak  2337 weight  1.00000E+00 volume  -9.64431E+03 ppm1      8.843 ppm2      1.841

 ASSI { 2338}
   (  segid "   A" and resid 174  and name  HG2#)
   (( segid "   A" and resid 177  and name  HN  ))
      4.458     2.229     2.229 peak  2338 weight  1.00000E+00 volume  -6.40282E+03 ppm1      8.842 ppm2      0.712

 ASSI { 2339}
   (( segid "   A" and resid 178  and name  HB2 ))
   (( segid "   A" and resid 178  and name  HN  ))
      4.401     2.201     2.201 peak  2339 weight  1.00000E+00 volume  -5.06677E+03 ppm1      7.084 ppm2      2.433

 ASSI { 2340}
   (( segid "   A" and resid 178  and name  HB1 ))
   (( segid "   A" and resid 178  and name  HN  ))
      4.004     2.002     2.002 peak  2340 weight  1.00000E+00 volume  -7.56541E+03 ppm1      7.068 ppm2      3.069

 ASSI { 2341}
   (( segid "   A" and resid 178  and name  HN  ))
   (( segid "   A" and resid 175  and name  HB2 ))
      4.057     2.029     2.029 peak  2341 weight  1.00000E+00 volume  -1.14092E+04 ppm1      7.065 ppm2      3.157

 ASSI { 2342}
   (( segid "   A" and resid 178  and name  HN  ))
   (( segid "   A" and resid 177  and name  HA2 ))
      4.087     2.043     2.043 peak  2342 weight  1.00000E+00 volume  -1.04408E+04 ppm1      7.072 ppm2      3.736

 ASSI { 2343}
   (( segid "   A" and resid 178  and name  HN  ))
   (( segid "   A" and resid 177  and name  HA1 ))
      4.042     2.021     2.021 peak  2343 weight  1.00000E+00 volume  -1.14954E+04 ppm1      7.079 ppm2      3.905

 ASSI { 2344}
   (( segid "   A" and resid 179  and name  HA1 ))
   (( segid "   A" and resid 178  and name  HN  ))
      4.042     2.021     2.021 peak  2344 weight  1.00000E+00 volume  -1.61990E+05 ppm1      7.079 ppm2      3.921

 ASSI { 2345}
   (( segid "   A" and resid 179  and name  HA2 ))
   (( segid "   A" and resid 178  and name  HN  ))
      4.888     2.444     2.444 peak  2345 weight  1.00000E+00 volume  -5.17841E+04 ppm1      7.084 ppm2      4.352

 ASSI { 2346}
   (( segid "   A" and resid 178  and name  HN  ))
   (( segid "   A" and resid 178  and name  HA  ))
      2.848     1.128     1.424 peak  2346 weight  1.00000E+00 volume  -1.32361E+06 ppm1      7.078 ppm2      4.742

 ASSI { 2348}
   (( segid "   A" and resid 180  and name  HN  ))
   (( segid "   A" and resid 178  and name  HN  ))
      4.012     2.006     2.006 peak  2348 weight  1.00000E+00 volume  -1.69294E+05 ppm1      7.082 ppm2      8.105

 ASSI { 2349}
   (( segid "   A" and resid 176  and name  HN  ))
   (( segid "   A" and resid 178  and name  HN  ))
      3.941     1.970     1.970 peak  2349 weight  1.00000E+00 volume  -1.88603E+05 ppm1      7.082 ppm2      8.270

 ASSI { 2350}
   (( segid "   A" and resid 178  and name  HN  ))
   (( segid "   A" and resid 177  and name  HN  ))
      4.149     2.074     2.074 peak  2350 weight  1.00000E+00 volume  -1.38471E+05 ppm1      7.082 ppm2      8.840

 ASSI { 2351}
   (( segid "   A" and resid 179  and name  HN  ))
   (( segid "   A" and resid 177  and name  HN  ))
      4.160     2.080     2.080 peak  2351 weight  1.00000E+00 volume  -5.91226E+03 ppm1      8.149 ppm2      8.837

 ASSI { 2352}
   (( segid "   A" and resid 175  and name  HN  ))
   (( segid "   A" and resid 179  and name  HN  ))
      4.079     2.039     2.039 peak  2352 weight  1.00000E+00 volume  -1.53395E+05 ppm1      8.146 ppm2      8.878

 ASSI { 2353}
   (( segid "   A" and resid 176  and name  HN  ))
   (( segid "   A" and resid 179  and name  HN  ))
      3.636     1.818     1.818 peak  2353 weight  1.00000E+00 volume  -5.51507E+03 ppm1      8.147 ppm2      8.273

 ASSI { 2354}
   (( segid "   A" and resid 179  and name  HN  ))
   (( segid "   A" and resid 180  and name  HN  ))
      2.809     1.089     1.405 peak  2354 weight  1.00000E+00 volume  -9.01594E+04 ppm1      8.150 ppm2      8.104

 ASSI { 2356}
   (( segid "   A" and resid 179  and name  HN  ))
   (( segid "   A" and resid 178  and name  HA  ))
      2.740     1.020     1.370 peak  2356 weight  1.00000E+00 volume  -1.66765E+06 ppm1      8.155 ppm2      4.741

 ASSI { 2360}
   (( segid "   A" and resid 179  and name  HN  ))
   (( segid "   A" and resid 177  and name  HA1 ))
      3.119     1.399     1.559 peak  2360 weight  1.00000E+00 volume  -7.67489E+05 ppm1      8.150 ppm2      3.911

 ASSI { 2361}
   (( segid "   A" and resid 179  and name  HN  ))
   (( segid "   A" and resid 177  and name  HA2 ))
      3.754     1.877     1.877 peak  2361 weight  1.00000E+00 volume  -2.52138E+05 ppm1      8.152 ppm2      3.743

 ASSI { 2362}
   (( segid "   A" and resid 179  and name  HN  ))
   (( segid "   A" and resid 176  and name  HA  ))
      4.169     2.085     2.085 peak  2362 weight  1.00000E+00 volume  -1.34472E+05 ppm1      8.142 ppm2      2.879

 ASSI { 2363}
   (( segid "   A" and resid 179  and name  HN  ))
   (( segid "   A" and resid 178  and name  HB2 ))
      4.445     2.222     2.222 peak  2363 weight  1.00000E+00 volume  -9.15831E+04 ppm1      8.157 ppm2      2.449

 ASSI { 2364}
   (( segid "   A" and resid 180  and name  HN  ))
   (  segid "   A" and resid 182  and name  HD1#)
      4.113     2.056     2.056 peak  2364 weight  1.00000E+00 volume  -1.45983E+05 ppm1      8.102 ppm2      1.005

 ASSI { 2365}
   (( segid "   A" and resid 180  and name  HN  ))
   (( segid "   A" and resid 178  and name  HB1 ))
      4.414     2.207     2.207 peak  2365 weight  1.00000E+00 volume  -9.55495E+04 ppm1      8.102 ppm2      3.060

 ASSI { 2366}
   (( segid "   A" and resid 180  and name  HN  ))
   (( segid "   A" and resid 180  and name  HA  ))
      2.970     1.250     1.485 peak  2366 weight  1.00000E+00 volume  -1.02897E+06 ppm1      8.097 ppm2      4.600

 ASSI { 2368}
   (( segid "   A" and resid 180  and name  HN  ))
   (( segid "   A" and resid 178  and name  HN  ))
      4.791     2.395     2.395 peak  2368 weight  1.00000E+00 volume  5.84161E+04 ppm1      8.100 ppm2      7.088

 ASSI { 2369}
   (( segid "   A" and resid 179  and name  HN  ))
   (( segid "   A" and resid 180  and name  HN  ))
      2.599     0.879     1.300 peak  2369 weight  1.00000E+00 volume  -2.29057E+06 ppm1      8.103 ppm2      8.151

 ASSI { 2370}
   (( segid "   A" and resid 180  and name  HN  ))
   (( segid "   A" and resid 181  and name  HN  ))
      4.413     2.206     2.206 peak  2370 weight  1.00000E+00 volume  -5.14905E+03 ppm1      8.096 ppm2      8.624

 ASSI { 2371}
   (( segid "   A" and resid 175  and name  HN  ))
   (( segid "   A" and resid 181  and name  HN  ))
      4.347     2.173     2.173 peak  2371 weight  1.00000E+00 volume  -4.17513E+03 ppm1      8.619 ppm2      8.891

 ASSI { 2372}
   (( segid "   A" and resid 182  and name  HN  ))
   (( segid "   A" and resid 181  and name  HN  ))
      4.343     2.172     2.172 peak  2372 weight  1.00000E+00 volume  -1.05203E+05 ppm1      8.615 ppm2      8.492

 ASSI { 2374}
   (( segid "   A" and resid 181  and name  HN  ))
   (( segid "   A" and resid 180  and name  HA  ))
      2.990     1.270     1.495 peak  2374 weight  1.00000E+00 volume  -9.88357E+05 ppm1      8.624 ppm2      4.598

 ASSI { 2375}
   (( segid "   A" and resid 180  and name  HB2 ))
   (( segid "   A" and resid 181  and name  HN  ))
      3.904     1.952     1.952 peak  2375 weight  1.00000E+00 volume  -1.99394E+05 ppm1      8.618 ppm2      3.842

 ASSI { 2377}
   (  segid "   A" and resid 174  and name  HG2#)
   (( segid "   A" and resid 181  and name  HN  ))
      3.888     1.944     1.944 peak  2377 weight  1.00000E+00 volume  -2.04325E+05 ppm1      8.620 ppm2      0.715

 ASSI { 2378}
   (( segid "   A" and resid 182  and name  HN  ))
   (( segid "   A" and resid 182  and name  HB  ))
      3.919     1.960     1.960 peak  2378 weight  1.00000E+00 volume  -1.94933E+05 ppm1      8.478 ppm2      1.796

 ASSI { 2379}
   (( segid "   A" and resid 182  and name  HN  ))
   (( segid "   A" and resid 173  and name  HB  ))
      3.824     1.912     1.912 peak  2379 weight  1.00000E+00 volume  -2.25875E+05 ppm1      8.480 ppm2      1.890

 ASSI { 2380}
   (( segid "   A" and resid 182  and name  HN  ))
   (( segid "   A" and resid 181  and name  HB1 ))
      5.080     2.540     2.540 peak  2380 weight  1.00000E+00 volume  -4.11004E+04 ppm1      8.474 ppm2      2.987

 ASSI { 2381}
   (( segid "   A" and resid 182  and name  HN  ))
   (( segid "   A" and resid 181  and name  HB2 ))
      4.508     2.254     2.254 peak  2381 weight  1.00000E+00 volume  -8.41459E+04 ppm1      8.470 ppm2      3.095

 ASSI { 2382}
   (( segid "   A" and resid 182  and name  HN  ))
   (( segid "   A" and resid 174  and name  HA  ))
      3.393     1.673     1.697 peak  2382 weight  1.00000E+00 volume  -4.62694E+05 ppm1      8.465 ppm2      4.604

 ASSI { 2383}
   (( segid "   A" and resid 182  and name  HN  ))
   (( segid "   A" and resid 181  and name  HA  ))
      3.420     1.700     1.710 peak  2383 weight  1.00000E+00 volume  -4.41354E+05 ppm1      8.469 ppm2      4.622

 ASSI { 2385}
   (( segid "   A" and resid 182  and name  HN  ))
   (( segid "   A" and resid 181  and name  HN  ))
      4.183     2.091     2.091 peak  2385 weight  1.00000E+00 volume  -1.31847E+05 ppm1      8.467 ppm2      8.625

 ASSI { 2386}
   (( segid "   A" and resid 182  and name  HN  ))
   (( segid "   A" and resid 173  and name  HN  ))
      4.374     2.187     2.187 peak  2386 weight  1.00000E+00 volume  -2.24285E+03 ppm1      8.460 ppm2      8.801

# Restraints file 4: d2onoesy.tbl
 ASSI {    1}
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 12   and name  HA  ))
      3.074     1.354     1.537 peak     1 weight  1.00000E+00 volume  1.66786E+06 ppm1      5.673 ppm2      5.245

 ASSI {   13}
   (( segid "   A" and resid 53   and name  HA  ))
   (( segid "   A" and resid 38   and name  HA  ))
      3.072     1.352     1.536 peak    13 weight  1.00000E+00 volume  1.67250E+06 ppm1      5.218 ppm2      4.941

 ASSI {   14}
   (( segid "   A" and resid 128  and name  HA  ))
   (( segid "   A" and resid 175  and name  HA  ))
      3.215     1.495     1.608 peak    14 weight  1.00000E+00 volume  1.27354E+06 ppm1      5.458 ppm2      4.833

 ASSI {   15}
   (( segid "   A" and resid 51   and name  HA  ))
   (( segid "   A" and resid 40   and name  HA  ))
      2.863     1.143     1.431 peak    15 weight  1.00000E+00 volume  2.55588E+06 ppm1      5.212 ppm2      4.783

 ASSI {   18}
   (( segid "   A" and resid 130  and name  HA  ))
   (( segid "   A" and resid 173  and name  HA  ))
      3.423     1.703     1.711 peak    18 weight  1.00000E+00 volume  1.15750E+05 ppm1      5.518 ppm2      4.740

 ASSI {   19}
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 14   and name  HA  ))
      3.147     1.427     1.573 peak    19 weight  1.00000E+00 volume  1.99270E+05 ppm1      5.627 ppm2      5.120

 ASSI {   23}
   (( segid "   A" and resid 79   and name  HA  ))
   (( segid "   A" and resid 94   and name  HA  ))
      3.864     1.932     1.932 peak    23 weight  1.00000E+00 volume  9.86460E+04 ppm1      5.146 ppm2      5.286

 ASSI {   27}
   (( segid "   A" and resid 112  and name  HA  ))
   (( segid "   A" and resid 69   and name  HA  ))
      3.457     1.728     1.728 peak    27 weight  1.00000E+00 volume  1.19488E+05 ppm1      5.060 ppm2      4.656

 ASSI {   29}
   (( segid "   A" and resid 92   and name  HA  ))
   (( segid "   A" and resid 81   and name  HA  ))
      3.220     1.500     1.610 peak    29 weight  1.00000E+00 volume  1.26131E+06 ppm1      5.619 ppm2      4.466

 ASSI {   32}
   (( segid "   A" and resid 91   and name  HB  ))
   (( segid "   A" and resid 82   and name  HB1 ))
      3.211     1.491     1.605 peak    32 weight  1.00000E+00 volume  1.28407E+06 ppm1      3.737 ppm2      2.972

 ASSI {   34}
   (  segid "   A" and resid 129  and name  HG1#)
   (( segid "   A" and resid 104  and name  HB2 ))
      3.624     1.812     1.812 peak    34 weight  1.00000E+00 volume  6.21354E+05 ppm1      3.160 ppm2      0.861

 ASSI {   35}
   (( segid "   A" and resid 166  and name  HB  ))
   (( segid "   A" and resid 162  and name  HB  ))
      2.750     1.030     1.375 peak    35 weight  1.00000E+00 volume  3.25222E+06 ppm1      1.698 ppm2      2.237

 ASSI {   36}
   (  segid "   A" and resid 166  and name  HG1#)
   (( segid "   A" and resid 162  and name  HB  ))
      3.580     1.790     1.790 peak    36 weight  1.00000E+00 volume  6.67926E+05 ppm1      2.263 ppm2      0.645

 ASSI {   39}
   (( segid "   A" and resid 11   and name  HB2 ))
   (  segid "   A" and resid 7    and name  HD# )
      3.536     1.768     1.768 peak    39 weight  1.00000E+00 volume  1.01558E+05 ppm1      1.379 ppm2      6.703

 ASSI {   43}
   (  segid "   A" and resid 7    and name  HD# )
   (( segid "   A" and resid 4    and name  HA  ))
      4.342     2.171     2.171 peak    43 weight  1.00000E+00 volume  2.69840E+04 ppm1      6.740 ppm2      4.447

 ASSI {   47}
   (( segid "   A" and resid 8    and name  HN  ))
   (  segid "   A" and resid 7    and name  HD# )
      3.063     1.343     1.532 peak    47 weight  1.00000E+00 volume  2.39724E+05 ppm1      6.753 ppm2      6.144

 ASSI {   50}
   (  segid "   A" and resid 54   and name  HE# )
   (  segid "   A" and resid 7    and name  HD# )
      3.677     1.838     1.838 peak    50 weight  1.00000E+00 volume  5.69654E+05 ppm1      7.167 ppm2      6.761

 ASSI {   51}
   (  segid "   A" and resid 54   and name  HE# )
   (  segid "   A" and resid 7    and name  HE# )
      4.659     2.330     2.330 peak    51 weight  1.00000E+00 volume  1.37526E+05 ppm1      7.160 ppm2      6.593

 ASSI {   53}
   (  segid "   A" and resid 7    and name  HD# )
   (( segid "   A" and resid 37   and name  HB  ))
      4.719     2.360     2.360 peak    53 weight  1.00000E+00 volume  1.27360E+05 ppm1      1.673 ppm2      6.731

 ASSI {   54}
   (  segid "   A" and resid 37   and name  HG1#)
   (( segid "   A" and resid 7    and name  HB1 ))
      4.747     2.373     2.373 peak    54 weight  1.00000E+00 volume  1.98440E+04 ppm1      0.549 ppm2      2.304

 ASSI {   55}
   (  segid "   A" and resid 54   and name  HE# )
   (( segid "   A" and resid 52   and name  HB2 ))
      3.680     1.840     1.840 peak    55 weight  1.00000E+00 volume  5.66664E+05 ppm1      1.914 ppm2      7.180

 ASSI {   62}
   (  segid "   A" and resid 18   and name  HB# )
   (( segid "   A" and resid 16   and name  HB2 ))
      3.819     1.909     1.909 peak    62 weight  1.00000E+00 volume  6.65440E+04 ppm1      1.106 ppm2      2.864

 ASSI {   65}
   (( segid "   A" and resid 89   and name  HB2 ))
   (( segid "   A" and resid 84   and name  HB2 ))
      3.005     1.285     1.502 peak    65 weight  1.00000E+00 volume  1.37320E+05 ppm1      1.995 ppm2      2.520

 ASSI {   66}
   (  segid "   A" and resid 123  and name  HG1#)
   (( segid "   A" and resid 97   and name  HB2 ))
      3.930     1.965     1.965 peak    66 weight  1.00000E+00 volume  3.81684E+05 ppm1      0.569 ppm2      3.070

 ASSI {   67}
   (  segid "   A" and resid 123  and name  HG1#)
   (( segid "   A" and resid 97   and name  HB2 ))
      4.249     2.124     2.124 peak    67 weight  1.00000E+00 volume  2.39114E+05 ppm1      3.100 ppm2      0.557

 ASSI {   71}
   (  segid "   A" and resid 82   and name  HD# )
   (( segid "   A" and resid 71   and name  HA  ))
      3.941     1.970     1.970 peak    71 weight  1.00000E+00 volume  4.10900E+04 ppm1      5.203 ppm2      7.041

 ASSI {   73}
   (( segid "   A" and resid 74   and name  HB1 ))
   (  segid "   A" and resid 73   and name  HD1#)
      4.390     2.195     2.195 peak    73 weight  1.00000E+00 volume  2.44340E+04 ppm1      2.876 ppm2      1.120

 ASSI {   74}
   (( segid "   A" and resid 107  and name  HB2 ))
   (( segid "   A" and resid 74   and name  HB1 ))
      4.181     2.091     2.091 peak    74 weight  1.00000E+00 volume  2.86740E+04 ppm1      1.869 ppm2      2.835

 ASSI {   76}
   (( segid "   A" and resid 105  and name  HB2 ))
   (( segid "   A" and resid 101  and name  HB2 ))
      3.524     1.762     1.762 peak    76 weight  1.00000E+00 volume  1.07858E+05 ppm1      1.230 ppm2      2.240

 ASSI {   77}
   (  segid "   A" and resid 121  and name  HG2#)
   (( segid "   A" and resid 114  and name  HB2 ))
      3.865     1.933     1.933 peak    77 weight  1.00000E+00 volume  5.74400E+04 ppm1      0.942 ppm2      2.226

 ASSI {   78}
   (( segid "   A" and resid 122  and name  HA1 ))
   (( segid "   A" and resid 114  and name  HB2 ))
      4.464     2.232     2.232 peak    78 weight  1.00000E+00 volume  2.15560E+04 ppm1      4.100 ppm2      2.243

 ASSI {   81}
   (( segid "   A" and resid 131  and name  HB2 ))
   (( segid "   A" and resid 154  and name  HB  ))
      1.886     0.166     0.943 peak    81 weight  1.00000E+00 volume  3.12230E+07 ppm1      1.755 ppm2      1.953

 ASSI {   82}
   (  segid "   A" and resid 156  and name  HG2#)
   (( segid "   A" and resid 104  and name  HB2 ))
      4.261     2.131     2.131 peak    82 weight  1.00000E+00 volume  2.35084E+05 ppm1      3.134 ppm2      1.139

 ASSI {   85}
   (( segid "   A" and resid 103  and name  HA  ))
   (( segid "   A" and resid 103  and name  HB2 ))
      4.249     2.124     2.124 peak    85 weight  1.00000E+00 volume  2.39140E+05 ppm1      2.901 ppm2      3.998

 ASSI {   88}
   (( segid "   A" and resid 128  and name  HB  ))
   (( segid "   A" and resid 182  and name  HB  ))
      4.279     2.139     2.139 peak    88 weight  1.00000E+00 volume  2.29254E+05 ppm1      1.808 ppm2      3.922

 ASSI {   91}
   (( segid "   A" and resid 155  and name  HB2 ))
   (( segid "   A" and resid 132  and name  HB  ))
      3.415     1.695     1.708 peak    91 weight  1.00000E+00 volume  8.86414E+05 ppm1      2.029 ppm2      4.277

 ASSI {   94}
   (  segid "   A" and resid 156  and name  HG2#)
   (( segid "   A" and resid 154  and name  HB  ))
      4.475     2.238     2.238 peak    94 weight  1.00000E+00 volume  1.75186E+05 ppm1      1.967 ppm2      1.171

 ASSI {   95}
   (( segid "   A" and resid 161  and name  HB2 ))
   (( segid "   A" and resid 149  and name  HB  ))
      3.871     1.935     1.935 peak    95 weight  1.00000E+00 volume  4.18330E+05 ppm1      3.944 ppm2      2.647

 ASSI {   96}
   (( segid "   A" and resid 181  and name  HB2 ))
   (  segid "   A" and resid 162  and name  HG1#)
      4.464     2.232     2.232 peak    96 weight  1.00000E+00 volume  1.77712E+05 ppm1      3.073 ppm2      0.543

 ASSI {   97}
   (  segid "   A" and resid 162  and name  HG1#)
   (( segid "   A" and resid 136  and name  HB  ))
      4.226     2.113     2.113 peak    97 weight  1.00000E+00 volume  2.47070E+05 ppm1      4.315 ppm2      0.555

 ASSI {   99}
   (( segid "   A" and resid 163  and name  HB2 ))
   (  segid "   A" and resid 149  and name  HG2#)
      3.652     1.826     1.826 peak    99 weight  1.00000E+00 volume  5.98700E+04 ppm1      2.007 ppm2      0.832

 ASSI {  100}
   (( segid "   A" and resid 150  and name  HA  ))
   (( segid "   A" and resid 150  and name  HB2 ))
      3.268     1.548     1.634 peak   100 weight  1.00000E+00 volume  1.41042E+05 ppm1      1.691 ppm2      4.711

 ASSI {  101}
   (  segid "   A" and resid 166  and name  HG1#)
   (( segid "   A" and resid 136  and name  HB  ))
      3.582     1.791     1.791 peak   101 weight  1.00000E+00 volume  7.83640E+04 ppm1      4.305 ppm2      0.683

 ASSI {  102}
   (( segid "   A" and resid 174  and name  HB  ))
   (( segid "   A" and resid 104  and name  HB2 ))
      3.860     1.930     1.930 peak   102 weight  1.00000E+00 volume  4.07680E+04 ppm1      1.531 ppm2      3.160

 ASSI {  110}
   (( segid "   A" and resid 83   and name  HA  ))
   (( segid "   A" and resid 90   and name  HA  ))
      3.335     1.615     1.668 peak   110 weight  1.00000E+00 volume  1.02257E+06 ppm1      5.481 ppm2      5.172

 ASSI {  113}
   (( segid "   A" and resid 36   and name  HA  ))
   (( segid "   A" and resid 55   and name  HA  ))
      3.240     1.520     1.620 peak   113 weight  1.00000E+00 volume  1.21549E+06 ppm1      5.195 ppm2      4.392

 ASSI {  114}
   (( segid "   A" and resid 115  and name  HA  ))
   (( segid "   A" and resid 120  and name  HA  ))
      2.921     1.201     1.461 peak   114 weight  1.00000E+00 volume  2.26375E+06 ppm1      5.367 ppm2      4.165

 ASSI {  115}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 43   and name  HA  ))
      3.590     1.795     1.795 peak   115 weight  1.00000E+00 volume  6.57754E+05 ppm1      5.578 ppm2      3.947

 ASSI {  116}
   (( segid "   A" and resid 41   and name  HA  ))
   (( segid "   A" and resid 22   and name  HA  ))
      3.425     1.705     1.713 peak   116 weight  1.00000E+00 volume  1.11542E+05 ppm1      5.343 ppm2      3.992

 ASSI {  117}
   (( segid "   A" and resid 39   and name  HA  ))
   (( segid "   A" and resid 25   and name  HA  ))
      2.713     0.993     1.357 peak   117 weight  1.00000E+00 volume  3.84288E+05 ppm1      5.449 ppm2      5.385

 ASSI {  118}
   (( segid "   A" and resid 49   and name  HA  ))
   (( segid "   A" and resid 42   and name  HA  ))
      3.056     1.336     1.528 peak   118 weight  1.00000E+00 volume  1.16896E+05 ppm1      5.410 ppm2      5.348

 ASSI {  119}
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 14   and name  HA  ))
      3.889     1.944     1.944 peak   119 weight  1.00000E+00 volume  4.55320E+04 ppm1      5.609 ppm2      5.089

 ASSI {  120}
   (( segid "   A" and resid 79   and name  HA  ))
   (( segid "   A" and resid 94   and name  HA  ))
      2.513     0.793     1.257 peak   120 weight  1.00000E+00 volume  5.58315E+06 ppm1      5.256 ppm2      5.188

 ASSI {  122}
   (( segid "   A" and resid 161  and name  HA  ))
   (( segid "   A" and resid 151  and name  HA  ))
      3.780     1.890     1.890 peak   122 weight  1.00000E+00 volume  4.82680E+05 ppm1      5.326 ppm2      4.697

 ASSI {  125}
   (( segid "   A" and resid 90   and name  HA  ))
   (( segid "   A" and resid 81   and name  HA  ))
      4.513     2.256     2.256 peak   125 weight  1.00000E+00 volume  1.66628E+05 ppm1      5.441 ppm2      4.437

 ASSI {  126}
   (( segid "   A" and resid 98   and name  HN  ))
   (( segid "   A" and resid 99   and name  HN  ))
      2.707     0.987     1.353 peak   126 weight  1.00000E+00 volume  4.81894E+05 ppm1      7.436 ppm2      7.214

 ASSI {  127}
   (  segid "   A" and resid 54   and name  HD# )
   (  segid "   A" and resid 7    and name  HE# )
      4.914     2.457     2.457 peak   127 weight  1.00000E+00 volume  9.99740E+04 ppm1      7.027 ppm2      6.587

 ASSI {  128}
   (( segid "   A" and resid 70   and name  HA  ))
   (( segid "   A" and resid 84   and name  HA  ))
      4.908     2.454     2.454 peak   128 weight  1.00000E+00 volume  1.00660E+05 ppm1      5.169 ppm2      4.673

 ASSI {  130}
   (( segid "   A" and resid 13   and name  HA  ))
   (( segid "   A" and resid 62   and name  HA  ))
      4.330     2.165     2.165 peak   130 weight  1.00000E+00 volume  2.13390E+05 ppm1      5.051 ppm2      4.606

 ASSI {  133}
   (( segid "   A" and resid 181  and name  HA  ))
   (( segid "   A" and resid 174  and name  HA  ))
      3.332     1.612     1.666 peak   133 weight  1.00000E+00 volume  1.37784E+05 ppm1      4.604 ppm2      4.631

 ASSI {  135}
   (( segid "   A" and resid 171  and name  HA  ))
   (( segid "   A" and resid 132  and name  HA  ))
      4.031     2.016     2.016 peak   135 weight  1.00000E+00 volume  5.20800E+04 ppm1      4.310 ppm2      4.801

 ASSI {  136}
   (( segid "   A" and resid 152  and name  HA  ))
   (( segid "   A" and resid 136  and name  HA  ))
      3.944     1.972     1.972 peak   136 weight  1.00000E+00 volume  5.42320E+04 ppm1      4.346 ppm2      4.925

 ASSI {  139}
   (( segid "   A" and resid 22   and name  HA  ))
   (( segid "   A" and resid 41   and name  HB2 ))
      4.403     2.202     2.202 peak   139 weight  1.00000E+00 volume  1.74360E+04 ppm1      3.982 ppm2      1.587

 ASSI {  140}
   (( segid "   A" and resid 102  and name  HB2 ))
   (( segid "   A" and resid 99   and name  HA  ))
      5.140     2.570     2.570 peak   140 weight  1.00000E+00 volume  5.40400E+03 ppm1      3.867 ppm2      1.518

 ASSI {  142}
   (( segid "   A" and resid 105  and name  HB2 ))
   (( segid "   A" and resid 102  and name  HA  ))
      3.258     1.538     1.629 peak   142 weight  1.00000E+00 volume  1.17631E+06 ppm1      3.808 ppm2      1.209

 ASSI {  143}
   (( segid "   A" and resid 169  and name  HA1 ))
   (  segid "   A" and resid 132  and name  HG2#)
      4.448     2.224     2.224 peak   143 weight  1.00000E+00 volume  1.81672E+05 ppm1      3.485 ppm2      1.096

 ASSI {  144}
   (  segid "   A" and resid 154  and name  HG1#)
   (( segid "   A" and resid 133  and name  HA  ))
      3.182     1.462     1.591 peak   144 weight  1.00000E+00 volume  1.35652E+06 ppm1      4.041 ppm2      1.193

 ASSI {  145}
   (( segid "   A" and resid 169  and name  HA2 ))
   (  segid "   A" and resid 132  and name  HG2#)
      3.816     1.908     1.908 peak   145 weight  1.00000E+00 volume  4.55934E+05 ppm1      4.401 ppm2      1.084

 ASSI {  146}
   (  segid "   A" and resid 152  and name  HB# )
   (( segid "   A" and resid 136  and name  HB  ))
      3.210     1.490     1.605 peak   146 weight  1.00000E+00 volume  1.64992E+05 ppm1      4.312 ppm2      1.218

# Restraints file 5: DIHEDRALS.tbl
 ASSIGN  (segid "   A" and resid 2    and name C   ) (segid "   A" and resid 3    and name N   )
         (segid "   A" and resid 3    and name CA  ) (segid "   A" and resid 3    and name C   )  1.00 -85.76 74.24 2

 ASSIGN  (segid "   A" and resid 3    and name N   ) (segid "   A" and resid 3    and name CA  )
         (segid "   A" and resid 3    and name C   ) (segid "   A" and resid 4    and name N   )  1.00 138.64 48.64 2

 ASSIGN  (segid "   A" and resid 3    and name C   ) (segid "   A" and resid 4    and name N   )
         (segid "   A" and resid 4    and name CA  ) (segid "   A" and resid 4    and name C   )  1.00 -80.00 40.00 2

 ASSIGN  (segid "   A" and resid 4    and name N   ) (segid "   A" and resid 4    and name CA  )
         (segid "   A" and resid 4    and name C   ) (segid "   A" and resid 5    and name N   )  1.00 -14.00 16.00 2

 ASSIGN  (segid "   A" and resid 4    and name C   ) (segid "   A" and resid 5    and name N   )
         (segid "   A" and resid 5    and name CA  ) (segid "   A" and resid 5    and name C   )  1.00 -94.00 26.00 2

 ASSIGN  (segid "   A" and resid 5    and name N   ) (segid "   A" and resid 5    and name CA  )
         (segid "   A" and resid 5    and name C   ) (segid "   A" and resid 6    and name N   )  1.00 -15.00 35.00 2

 ASSIGN  (segid "   A" and resid 5    and name C   ) (segid "   A" and resid 6    and name N   )
         (segid "   A" and resid 6    and name CA  ) (segid "   A" and resid 6    and name C   )  1.00 -104.69 55.31 2

 ASSIGN  (segid "   A" and resid 6    and name N   ) (segid "   A" and resid 6    and name CA  )
         (segid "   A" and resid 6    and name C   ) (segid "   A" and resid 7    and name N   )  1.00 127.69 37.69 2

 ASSIGN  (segid "   A" and resid 6    and name C   ) (segid "   A" and resid 7    and name N   )
         (segid "   A" and resid 7    and name CA  ) (segid "   A" and resid 7    and name C   )  1.00 -150.00 30.00 2

 ASSIGN  (segid "   A" and resid 7    and name N   ) (segid "   A" and resid 7    and name CA  )
         (segid "   A" and resid 7    and name C   ) (segid "   A" and resid 8    and name N   )  1.00 150.00 30.00 2

 ASSIGN  (segid "   A" and resid 7    and name C   ) (segid "   A" and resid 8    and name N   )
         (segid "   A" and resid 8    and name CA  ) (segid "   A" and resid 8    and name C   )  1.00 -133.07 36.93 2

 ASSIGN  (segid "   A" and resid 8    and name N   ) (segid "   A" and resid 8    and name CA  )
         (segid "   A" and resid 8    and name C   ) (segid "   A" and resid 9    and name N   )  1.00 147.55 27.55 2

 ASSIGN  (segid "   A" and resid 9    and name C   ) (segid "   A" and resid 10   and name N   )
         (segid "   A" and resid 10   and name CA  ) (segid "   A" and resid 10   and name C   )  1.00 -125.00 45.00 2

 ASSIGN  (segid "   A" and resid 10   and name N   ) (segid "   A" and resid 10   and name CA  )
         (segid "   A" and resid 10   and name C   ) (segid "   A" and resid 11   and name N   )  1.00 151.00 31.00 2

 ASSIGN  (segid "   A" and resid 10   and name C   ) (segid "   A" and resid 11   and name N   )
         (segid "   A" and resid 11   and name CA  ) (segid "   A" and resid 11   and name C   )  1.00 -109.01 40.99 2

 ASSIGN  (segid "   A" and resid 11   and name N   ) (segid "   A" and resid 11   and name CA  )
         (segid "   A" and resid 11   and name C   ) (segid "   A" and resid 12   and name N   )  1.00 125.17 25.17 2

 ASSIGN  (segid "   A" and resid 11   and name C   ) (segid "   A" and resid 12   and name N   )
         (segid "   A" and resid 12   and name CA  ) (segid "   A" and resid 12   and name C   )  1.00 -115.20 44.80 2

 ASSIGN  (segid "   A" and resid 12   and name N   ) (segid "   A" and resid 12   and name CA  )
         (segid "   A" and resid 12   and name C   ) (segid "   A" and resid 13   and name N   )  1.00 135.59 35.59 2

 ASSIGN  (segid "   A" and resid 12   and name C   ) (segid "   A" and resid 13   and name N   )
         (segid "   A" and resid 13   and name CA  ) (segid "   A" and resid 13   and name C   )  1.00 -125.59 44.41 2

 ASSIGN  (segid "   A" and resid 13   and name N   ) (segid "   A" and resid 13   and name CA  )
         (segid "   A" and resid 13   and name C   ) (segid "   A" and resid 14   and name N   )  1.00 154.80 44.80 2

 ASSIGN  (segid "   A" and resid 13   and name C   ) (segid "   A" and resid 14   and name N   )
         (segid "   A" and resid 14   and name CA  ) (segid "   A" and resid 14   and name C   )  1.00 -121.12 38.88 2

 ASSIGN  (segid "   A" and resid 14   and name N   ) (segid "   A" and resid 14   and name CA  )
         (segid "   A" and resid 14   and name C   ) (segid "   A" and resid 15   and name N   )  1.00 138.24 38.24 2

 ASSIGN  (segid "   A" and resid 14   and name C   ) (segid "   A" and resid 15   and name N   )
         (segid "   A" and resid 15   and name CA  ) (segid "   A" and resid 15   and name C   )  1.00 -125.12 54.88 2

 ASSIGN  (segid "   A" and resid 15   and name N   ) (segid "   A" and resid 15   and name CA  )
         (segid "   A" and resid 15   and name C   ) (segid "   A" and resid 16   and name N   )  1.00 134.46 44.46 2

 ASSIGN  (segid "   A" and resid 15   and name C   ) (segid "   A" and resid 16   and name N   )
         (segid "   A" and resid 16   and name CA  ) (segid "   A" and resid 16   and name C   )  1.00  55.00 15.00 2

 ASSIGN  (segid "   A" and resid 16   and name N   ) (segid "   A" and resid 16   and name CA  )
         (segid "   A" and resid 16   and name C   ) (segid "   A" and resid 17   and name N   )  1.00  45.00 25.00 2

 ASSIGN  (segid "   A" and resid 16   and name C   ) (segid "   A" and resid 17   and name N   )
         (segid "   A" and resid 17   and name CA  ) (segid "   A" and resid 17   and name C   )  1.00  56.00 16.00 2

 ASSIGN  (segid "   A" and resid 17   and name N   ) (segid "   A" and resid 17   and name CA  )
         (segid "   A" and resid 17   and name C   ) (segid "   A" and resid 18   and name N   )  1.00  36.00 16.00 2

 ASSIGN  (segid "   A" and resid 17   and name C   ) (segid "   A" and resid 18   and name N   )
         (segid "   A" and resid 18   and name CA  ) (segid "   A" and resid 18   and name C   )  1.00 -131.32 38.68 2

 ASSIGN  (segid "   A" and resid 18   and name N   ) (segid "   A" and resid 18   and name CA  )
         (segid "   A" and resid 18   and name C   ) (segid "   A" and resid 19   and name N   )  1.00 142.88 32.88 2

 ASSIGN  (segid "   A" and resid 18   and name C   ) (segid "   A" and resid 19   and name N   )
         (segid "   A" and resid 19   and name CA  ) (segid "   A" and resid 19   and name C   )  1.00 -123.66 26.34 2

 ASSIGN  (segid "   A" and resid 19   and name N   ) (segid "   A" and resid 19   and name CA  )
         (segid "   A" and resid 19   and name C   ) (segid "   A" and resid 20   and name N   )  1.00 127.86 17.86 2

 ASSIGN  (segid "   A" and resid 19   and name C   ) (segid "   A" and resid 20   and name N   )
         (segid "   A" and resid 20   and name CA  ) (segid "   A" and resid 20   and name C   )  1.00 -130.81 29.19 2

 ASSIGN  (segid "   A" and resid 20   and name N   ) (segid "   A" and resid 20   and name CA  )
         (segid "   A" and resid 20   and name C   ) (segid "   A" and resid 21   and name N   )  1.00 146.42 36.42 2

 ASSIGN  (segid "   A" and resid 20   and name C   ) (segid "   A" and resid 21   and name N   )
         (segid "   A" and resid 21   and name CA  ) (segid "   A" and resid 21   and name C   )  1.00 -117.93 32.07 2

 ASSIGN  (segid "   A" and resid 21   and name N   ) (segid "   A" and resid 21   and name CA  )
         (segid "   A" and resid 21   and name C   ) (segid "   A" and resid 22   and name N   )  1.00 129.40 29.40 2

 ASSIGN  (segid "   A" and resid 21   and name C   ) (segid "   A" and resid 22   and name N   )
         (segid "   A" and resid 22   and name CA  ) (segid "   A" and resid 22   and name C   )  1.00 -93.46 56.54 2

 ASSIGN  (segid "   A" and resid 22   and name N   ) (segid "   A" and resid 22   and name CA  )
         (segid "   A" and resid 22   and name C   ) (segid "   A" and resid 23   and name N   )  1.00 121.30 31.30 2

 ASSIGN  (segid "   A" and resid 22   and name C   ) (segid "   A" and resid 23   and name N   )
         (segid "   A" and resid 23   and name CA  ) (segid "   A" and resid 23   and name C   )  1.00 -96.00 24.00 2

 ASSIGN  (segid "   A" and resid 23   and name N   ) (segid "   A" and resid 23   and name CA  )
         (segid "   A" and resid 23   and name C   ) (segid "   A" and resid 24   and name N   )  1.00  -7.00 43.00 2

 ASSIGN  (segid "   A" and resid 23   and name C   ) (segid "   A" and resid 24   and name N   )
         (segid "   A" and resid 24   and name CA  ) (segid "   A" and resid 24   and name C   )  1.00 -129.69 40.31 2

 ASSIGN  (segid "   A" and resid 24   and name N   ) (segid "   A" and resid 24   and name CA  )
         (segid "   A" and resid 24   and name C   ) (segid "   A" and resid 25   and name N   )  1.00 136.62 36.62 2

 ASSIGN  (segid "   A" and resid 24   and name C   ) (segid "   A" and resid 25   and name N   )
         (segid "   A" and resid 25   and name CA  ) (segid "   A" and resid 25   and name C   )  1.00 -135.21 44.79 2

 ASSIGN  (segid "   A" and resid 25   and name N   ) (segid "   A" and resid 25   and name CA  )
         (segid "   A" and resid 25   and name C   ) (segid "   A" and resid 26   and name N   )  1.00 155.20 35.20 2

 ASSIGN  (segid "   A" and resid 25   and name C   ) (segid "   A" and resid 26   and name N   )
         (segid "   A" and resid 26   and name CA  ) (segid "   A" and resid 26   and name C   )  1.00 -120.53 39.47 2

 ASSIGN  (segid "   A" and resid 26   and name N   ) (segid "   A" and resid 26   and name CA  )
         (segid "   A" and resid 26   and name C   ) (segid "   A" and resid 27   and name N   )  1.00 129.26 29.26 2

 ASSIGN  (segid "   A" and resid 26   and name C   ) (segid "   A" and resid 27   and name N   )
         (segid "   A" and resid 27   and name CA  ) (segid "   A" and resid 27   and name C   )  1.00 -104.81 35.19 2

 ASSIGN  (segid "   A" and resid 27   and name N   ) (segid "   A" and resid 27   and name CA  )
         (segid "   A" and resid 27   and name C   ) (segid "   A" and resid 28   and name N   )  1.00 116.74 26.74 2

 ASSIGN  (segid "   A" and resid 27   and name C   ) (segid "   A" and resid 28   and name N   )
         (segid "   A" and resid 28   and name CA  ) (segid "   A" and resid 28   and name C   )  1.00 -108.13 41.87 2

 ASSIGN  (segid "   A" and resid 28   and name N   ) (segid "   A" and resid 28   and name CA  )
         (segid "   A" and resid 28   and name C   ) (segid "   A" and resid 29   and name N   )  1.00 121.28 21.28 2

 ASSIGN  (segid "   A" and resid 30   and name C   ) (segid "   A" and resid 31   and name N   )
         (segid "   A" and resid 31   and name CA  ) (segid "   A" and resid 31   and name C   )  1.00  85.00 30.00 2

 ASSIGN  (segid "   A" and resid 31   and name N   ) (segid "   A" and resid 31   and name CA  )
         (segid "   A" and resid 31   and name C   ) (segid "   A" and resid 32   and name N   )  1.00  -2.00 28.00 2

 ASSIGN  (segid "   A" and resid 31   and name C   ) (segid "   A" and resid 32   and name N   )
         (segid "   A" and resid 32   and name CA  ) (segid "   A" and resid 32   and name C   )  1.00 -85.00 25.00 2

 ASSIGN  (segid "   A" and resid 32   and name N   ) (segid "   A" and resid 32   and name CA  )
         (segid "   A" and resid 32   and name C   ) (segid "   A" and resid 33   and name N   )  1.00  -2.00 -12.00 2

 ASSIGN  (segid "   A" and resid 32   and name C   ) (segid "   A" and resid 33   and name N   )
         (segid "   A" and resid 33   and name CA  ) (segid "   A" and resid 33   and name C   )  1.00  94.00 44.00 2

 ASSIGN  (segid "   A" and resid 33   and name N   ) (segid "   A" and resid 33   and name CA  )
         (segid "   A" and resid 33   and name C   ) (segid "   A" and resid 34   and name N   )  1.00   4.00 -46.00 2

 ASSIGN  (segid "   A" and resid 33   and name C   ) (segid "   A" and resid 34   and name N   )
         (segid "   A" and resid 34   and name CA  ) (segid "   A" and resid 34   and name C   )  1.00 -105.00 35.00 2

 ASSIGN  (segid "   A" and resid 34   and name N   ) (segid "   A" and resid 34   and name CA  )
         (segid "   A" and resid 34   and name C   ) (segid "   A" and resid 35   and name N   )  1.00 138.00 48.00 2

 ASSIGN  (segid "   A" and resid 34   and name C   ) (segid "   A" and resid 35   and name N   )
         (segid "   A" and resid 35   and name CA  ) (segid "   A" and resid 35   and name C   )  1.00 -94.00 66.00 2

 ASSIGN  (segid "   A" and resid 35   and name N   ) (segid "   A" and resid 35   and name CA  )
         (segid "   A" and resid 35   and name C   ) (segid "   A" and resid 36   and name N   )  1.00 135.00 35.00 2

 ASSIGN  (segid "   A" and resid 35   and name C   ) (segid "   A" and resid 36   and name N   )
         (segid "   A" and resid 36   and name CA  ) (segid "   A" and resid 36   and name C   )  1.00 -130.45 39.55 2

 ASSIGN  (segid "   A" and resid 36   and name N   ) (segid "   A" and resid 36   and name CA  )
         (segid "   A" and resid 36   and name C   ) (segid "   A" and resid 37   and name N   )  1.00 145.89 45.89 2

 ASSIGN  (segid "   A" and resid 36   and name C   ) (segid "   A" and resid 37   and name N   )
         (segid "   A" and resid 37   and name CA  ) (segid "   A" and resid 37   and name C   )  1.00 -118.58 31.42 2

 ASSIGN  (segid "   A" and resid 37   and name N   ) (segid "   A" and resid 37   and name CA  )
         (segid "   A" and resid 37   and name C   ) (segid "   A" and resid 38   and name N   )  1.00 133.71 33.71 2

 ASSIGN  (segid "   A" and resid 37   and name C   ) (segid "   A" and resid 38   and name N   )
         (segid "   A" and resid 38   and name CA  ) (segid "   A" and resid 38   and name C   )  1.00 -105.32 34.68 2

 ASSIGN  (segid "   A" and resid 38   and name N   ) (segid "   A" and resid 38   and name CA  )
         (segid "   A" and resid 38   and name C   ) (segid "   A" and resid 39   and name N   )  1.00 124.96 24.96 2

 ASSIGN  (segid "   A" and resid 38   and name C   ) (segid "   A" and resid 39   and name N   )
         (segid "   A" and resid 39   and name CA  ) (segid "   A" and resid 39   and name C   )  1.00 -121.57 38.43 2

 ASSIGN  (segid "   A" and resid 39   and name N   ) (segid "   A" and resid 39   and name CA  )
         (segid "   A" and resid 39   and name C   ) (segid "   A" and resid 40   and name N   )  1.00 130.06 30.06 2

 ASSIGN  (segid "   A" and resid 39   and name C   ) (segid "   A" and resid 40   and name N   )
         (segid "   A" and resid 40   and name CA  ) (segid "   A" and resid 40   and name C   )  1.00 -113.84 36.16 2

 ASSIGN  (segid "   A" and resid 40   and name N   ) (segid "   A" and resid 40   and name CA  )
         (segid "   A" and resid 40   and name C   ) (segid "   A" and resid 41   and name N   )  1.00 130.86 30.86 2

 ASSIGN  (segid "   A" and resid 40   and name C   ) (segid "   A" and resid 41   and name N   )
         (segid "   A" and resid 41   and name CA  ) (segid "   A" and resid 41   and name C   )  1.00 -118.12 31.88 2

 ASSIGN  (segid "   A" and resid 41   and name N   ) (segid "   A" and resid 41   and name CA  )
         (segid "   A" and resid 41   and name C   ) (segid "   A" and resid 42   and name N   )  1.00 127.88 27.88 2

 ASSIGN  (segid "   A" and resid 41   and name C   ) (segid "   A" and resid 42   and name N   )
         (segid "   A" and resid 42   and name CA  ) (segid "   A" and resid 42   and name C   )  1.00 -117.22 42.78 2

 ASSIGN  (segid "   A" and resid 42   and name N   ) (segid "   A" and resid 42   and name CA  )
         (segid "   A" and resid 42   and name C   ) (segid "   A" and resid 43   and name N   )  1.00 132.39 32.39 2

 ASSIGN  (segid "   A" and resid 42   and name C   ) (segid "   A" and resid 43   and name N   )
         (segid "   A" and resid 43   and name CA  ) (segid "   A" and resid 43   and name C   )  1.00 -103.39 46.61 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   )  1.00 118.97 28.97 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 -65.00 25.00 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 -17.40 32.60 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 -69.41 40.59 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 -14.72 35.28 2

 ASSIGN  (segid "   A" and resid 45   and name C   ) (segid "   A" and resid 46   and name N   )
         (segid "   A" and resid 46   and name CA  ) (segid "   A" and resid 46   and name C   )  1.00 -95.45 34.55 2

 ASSIGN  (segid "   A" and resid 46   and name N   ) (segid "   A" and resid 46   and name CA  )
         (segid "   A" and resid 46   and name C   ) (segid "   A" and resid 47   and name N   )  1.00  -0.21 29.79 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  85.00 15.00 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   9.00 29.00 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 -108.15 51.85 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   )  1.00 118.86 28.86 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 -119.17 30.83 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   )  1.00 128.12 28.12 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 -121.13 38.87 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   )  1.00 137.93 37.93 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 -106.02 33.98 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   )  1.00 125.00 25.00 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 -123.61 26.39 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   )  1.00 135.59 35.59 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 -112.84 37.16 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   )  1.00 125.10 25.10 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 -117.90 32.10 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   )  1.00 132.69 32.69 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 -109.50 50.50 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   )  1.00 141.87 51.87 2

 ASSIGN  (segid "   A" and resid 55   and name C   ) (segid "   A" and resid 56   and name N   )
         (segid "   A" and resid 56   and name CA  ) (segid "   A" and resid 56   and name C   )  1.00 -73.00 27.00 2

 ASSIGN  (segid "   A" and resid 56   and name N   ) (segid "   A" and resid 56   and name CA  )
         (segid "   A" and resid 56   and name C   ) (segid "   A" and resid 57   and name N   )  1.00 166.00 56.00 2

 ASSIGN  (segid "   A" and resid 56   and name C   ) (segid "   A" and resid 57   and name N   )
         (segid "   A" and resid 57   and name CA  ) (segid "   A" and resid 57   and name C   )  1.00  79.52 29.52 2

 ASSIGN  (segid "   A" and resid 57   and name N   ) (segid "   A" and resid 57   and name CA  )
         (segid "   A" and resid 57   and name C   ) (segid "   A" and resid 58   and name N   )  1.00   5.77 35.77 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 -77.04 102.96 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   )  1.00 140.81 40.81 2

 ASSIGN  (segid "   A" and resid 58   and name C   ) (segid "   A" and resid 59   and name N   )
         (segid "   A" and resid 59   and name CA  ) (segid "   A" and resid 59   and name C   )  1.00 -97.44 62.56 2

 ASSIGN  (segid "   A" and resid 59   and name N   ) (segid "   A" and resid 59   and name CA  )
         (segid "   A" and resid 59   and name C   ) (segid "   A" and resid 60   and name N   )  1.00 140.05 40.05 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 -132.26 47.74 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   )  1.00 143.64 53.64 2

 ASSIGN  (segid "   A" and resid 61   and name C   ) (segid "   A" and resid 62   and name N   )
         (segid "   A" and resid 62   and name CA  ) (segid "   A" and resid 62   and name C   )  1.00 -85.72 64.28 2

 ASSIGN  (segid "   A" and resid 62   and name N   ) (segid "   A" and resid 62   and name CA  )
         (segid "   A" and resid 62   and name C   ) (segid "   A" and resid 63   and name N   )  1.00 132.86 32.86 2

 ASSIGN  (segid "   A" and resid 62   and name C   ) (segid "   A" and resid 63   and name N   )
         (segid "   A" and resid 63   and name CA  ) (segid "   A" and resid 63   and name C   )  1.00 -125.41 34.59 2

 ASSIGN  (segid "   A" and resid 63   and name N   ) (segid "   A" and resid 63   and name CA  )
         (segid "   A" and resid 63   and name C   ) (segid "   A" and resid 64   and name N   )  1.00 146.86 36.86 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 -75.02 34.98 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   )  1.00 163.59 53.59 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 -86.51 83.49 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   )  1.00 135.22 45.22 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 -123.21 26.79 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   )  1.00 129.39 29.39 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 -104.41 45.59 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   )  1.00 126.21 26.21 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 -123.06 26.94 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   )  1.00 135.07 35.07 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 -101.89 48.11 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   )  1.00 124.79 24.79 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 -125.61 34.39 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   )  1.00 143.98 33.98 2

 ASSIGN  (segid "   A" and resid 70   and name C   ) (segid "   A" and resid 71   and name N   )
         (segid "   A" and resid 71   and name CA  ) (segid "   A" and resid 71   and name C   )  1.00 -115.70 44.30 2

 ASSIGN  (segid "   A" and resid 71   and name N   ) (segid "   A" and resid 71   and name CA  )
         (segid "   A" and resid 71   and name C   ) (segid "   A" and resid 72   and name N   )  1.00 132.50 32.50 2

 ASSIGN  (segid "   A" and resid 71   and name C   ) (segid "   A" and resid 72   and name N   )
         (segid "   A" and resid 72   and name CA  ) (segid "   A" and resid 72   and name C   )  1.00 -114.76 45.24 2

 ASSIGN  (segid "   A" and resid 72   and name N   ) (segid "   A" and resid 72   and name CA  )
         (segid "   A" and resid 72   and name C   ) (segid "   A" and resid 73   and name N   )  1.00 135.10 45.10 2

 ASSIGN  (segid "   A" and resid 72   and name C   ) (segid "   A" and resid 73   and name N   )
         (segid "   A" and resid 73   and name CA  ) (segid "   A" and resid 73   and name C   )  1.00 -122.25 47.75 2

 ASSIGN  (segid "   A" and resid 73   and name N   ) (segid "   A" and resid 73   and name CA  )
         (segid "   A" and resid 73   and name C   ) (segid "   A" and resid 74   and name N   )  1.00 141.11 41.11 2

 ASSIGN  (segid "   A" and resid 73   and name C   ) (segid "   A" and resid 74   and name N   )
         (segid "   A" and resid 74   and name CA  ) (segid "   A" and resid 74   and name C   )  1.00 -154.00  6.00 2

 ASSIGN  (segid "   A" and resid 74   and name N   ) (segid "   A" and resid 74   and name CA  )
         (segid "   A" and resid 74   and name C   ) (segid "   A" and resid 75   and name N   )  1.00 164.00 34.00 2

 ASSIGN  (segid "   A" and resid 74   and name C   ) (segid "   A" and resid 75   and name N   )
         (segid "   A" and resid 75   and name CA  ) (segid "   A" and resid 75   and name C   )  1.00 -124.00 26.00 2

 ASSIGN  (segid "   A" and resid 75   and name N   ) (segid "   A" and resid 75   and name CA  )
         (segid "   A" and resid 75   and name C   ) (segid "   A" and resid 76   and name N   )  1.00 155.00 55.00 2

 ASSIGN  (segid "   A" and resid 75   and name C   ) (segid "   A" and resid 76   and name N   )
         (segid "   A" and resid 76   and name CA  ) (segid "   A" and resid 76   and name C   )  1.00 -94.88 65.12 2

 ASSIGN  (segid "   A" and resid 76   and name N   ) (segid "   A" and resid 76   and name CA  )
         (segid "   A" and resid 76   and name C   ) (segid "   A" and resid 77   and name N   )  1.00 126.54 36.54 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 -95.94 54.06 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   )  1.00 126.08 46.08 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 -91.56 28.44 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  -2.21 27.79 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 -108.45 31.55 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   )  1.00 115.76 25.76 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 -105.09 34.91 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   )  1.00 124.04 24.04 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 -108.89 31.11 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   )  1.00 116.62 26.62 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 -115.68 34.32 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   )  1.00 134.37 24.37 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 -124.14 35.86 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   )  1.00 129.67 29.67 2

 ASSIGN  (segid "   A" and resid 83   and name C   ) (segid "   A" and resid 84   and name N   )
         (segid "   A" and resid 84   and name CA  ) (segid "   A" and resid 84   and name C   )  1.00 -104.48 45.52 2

 ASSIGN  (segid "   A" and resid 84   and name N   ) (segid "   A" and resid 84   and name CA  )
         (segid "   A" and resid 84   and name C   ) (segid "   A" and resid 85   and name N   )  1.00 125.22 25.22 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 -66.00 -26.00 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  24.00 64.00 2

 ASSIGN  (segid "   A" and resid 85   and name C   ) (segid "   A" and resid 86   and name N   )
         (segid "   A" and resid 86   and name CA  ) (segid "   A" and resid 86   and name C   )  1.00 -67.13 52.87 2

 ASSIGN  (segid "   A" and resid 86   and name N   ) (segid "   A" and resid 86   and name CA  )
         (segid "   A" and resid 86   and name C   ) (segid "   A" and resid 87   and name N   )  1.00 -20.27 29.73 2

 ASSIGN  (segid "   A" and resid 86   and name C   ) (segid "   A" and resid 87   and name N   )
         (segid "   A" and resid 87   and name CA  ) (segid "   A" and resid 87   and name C   )  1.00 -118.07 51.93 2

 ASSIGN  (segid "   A" and resid 87   and name N   ) (segid "   A" and resid 87   and name CA  )
         (segid "   A" and resid 87   and name C   ) (segid "   A" and resid 88   and name N   )  1.00 137.53 37.53 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  74.00 24.00 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  14.00 14.00 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 -120.00 50.00 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   )  1.00 143.00 43.00 2

 ASSIGN  (segid "   A" and resid 89   and name C   ) (segid "   A" and resid 90   and name N   )
         (segid "   A" and resid 90   and name CA  ) (segid "   A" and resid 90   and name C   )  1.00 -115.16 44.84 2

 ASSIGN  (segid "   A" and resid 90   and name N   ) (segid "   A" and resid 90   and name CA  )
         (segid "   A" and resid 90   and name C   ) (segid "   A" and resid 91   and name N   )  1.00 123.27 33.27 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 -107.05 32.95 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   )  1.00 123.28 23.28 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 -122.19 37.81 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   )  1.00 134.57 34.57 2

 ASSIGN  (segid "   A" and resid 92   and name C   ) (segid "   A" and resid 93   and name N   )
         (segid "   A" and resid 93   and name CA  ) (segid "   A" and resid 93   and name C   )  1.00 -117.91 42.09 2

 ASSIGN  (segid "   A" and resid 93   and name N   ) (segid "   A" and resid 93   and name CA  )
         (segid "   A" and resid 93   and name C   ) (segid "   A" and resid 94   and name N   )  1.00 134.24 34.24 2

 ASSIGN  (segid "   A" and resid 93   and name C   ) (segid "   A" and resid 94   and name N   )
         (segid "   A" and resid 94   and name CA  ) (segid "   A" and resid 94   and name C   )  1.00 -85.00 15.00 2

 ASSIGN  (segid "   A" and resid 94   and name N   ) (segid "   A" and resid 94   and name CA  )
         (segid "   A" and resid 94   and name C   ) (segid "   A" and resid 95   and name N   )  1.00 165.00 15.00 2

 ASSIGN  (segid "   A" and resid 94   and name C   ) (segid "   A" and resid 95   and name N   )
         (segid "   A" and resid 95   and name CA  ) (segid "   A" and resid 95   and name C   )  1.00 -55.00 15.00 2

 ASSIGN  (segid "   A" and resid 95   and name N   ) (segid "   A" and resid 95   and name CA  )
         (segid "   A" and resid 95   and name C   ) (segid "   A" and resid 96   and name N   )  1.00 -30.00 -30.00 2

 ASSIGN  (segid "   A" and resid 95   and name C   ) (segid "   A" and resid 96   and name N   )
         (segid "   A" and resid 96   and name CA  ) (segid "   A" and resid 96   and name C   )  1.00 -64.15 25.85 2

 ASSIGN  (segid "   A" and resid 96   and name N   ) (segid "   A" and resid 96   and name CA  )
         (segid "   A" and resid 96   and name C   ) (segid "   A" and resid 97   and name N   )  1.00 -25.11 24.89 2

 ASSIGN  (segid "   A" and resid 96   and name C   ) (segid "   A" and resid 97   and name N   )
         (segid "   A" and resid 97   and name CA  ) (segid "   A" and resid 97   and name C   )  1.00 -66.84 53.16 2

 ASSIGN  (segid "   A" and resid 97   and name N   ) (segid "   A" and resid 97   and name CA  )
         (segid "   A" and resid 97   and name C   ) (segid "   A" and resid 98   and name N   )  1.00 -21.88 18.12 2

 ASSIGN  (segid "   A" and resid 97   and name C   ) (segid "   A" and resid 98   and name N   )
         (segid "   A" and resid 98   and name CA  ) (segid "   A" and resid 98   and name C   )  1.00 -95.03 34.97 2

 ASSIGN  (segid "   A" and resid 98   and name N   ) (segid "   A" and resid 98   and name CA  )
         (segid "   A" and resid 98   and name C   ) (segid "   A" and resid 99   and name N   )  1.00   5.01 35.01 2

 ASSIGN  (segid "   A" and resid 98   and name C   ) (segid "   A" and resid 99   and name N   )
         (segid "   A" and resid 99   and name CA  ) (segid "   A" and resid 99   and name C   )  1.00 -57.55 32.45 2

 ASSIGN  (segid "   A" and resid 99   and name N   ) (segid "   A" and resid 99   and name CA  )
         (segid "   A" and resid 99   and name C   ) (segid "   A" and resid 100  and name N   )  1.00 -27.68 42.32 2

 ASSIGN  (segid "   A" and resid 99   and name C   ) (segid "   A" and resid 100  and name N   )
         (segid "   A" and resid 100  and name CA  ) (segid "   A" and resid 100  and name C   )  1.00 -63.82 26.18 2

 ASSIGN  (segid "   A" and resid 100  and name N   ) (segid "   A" and resid 100  and name CA  )
         (segid "   A" and resid 100  and name C   ) (segid "   A" and resid 101  and name N   )  1.00 -28.45 41.55 2

 ASSIGN  (segid "   A" and resid 100  and name C   ) (segid "   A" and resid 101  and name N   )
         (segid "   A" and resid 101  and name CA  ) (segid "   A" and resid 101  and name C   )  1.00 -63.54 26.46 2

 ASSIGN  (segid "   A" and resid 101  and name N   ) (segid "   A" and resid 101  and name CA  )
         (segid "   A" and resid 101  and name C   ) (segid "   A" and resid 102  and name N   )  1.00 -31.74 38.26 2

 ASSIGN  (segid "   A" and resid 101  and name C   ) (segid "   A" and resid 102  and name N   )
         (segid "   A" and resid 102  and name CA  ) (segid "   A" and resid 102  and name C   )  1.00 -85.57 34.43 2

 ASSIGN  (segid "   A" and resid 102  and name N   ) (segid "   A" and resid 102  and name CA  )
         (segid "   A" and resid 102  and name C   ) (segid "   A" and resid 103  and name N   )  1.00  -0.77 39.23 2

 ASSIGN  (segid "   A" and resid 103  and name C   ) (segid "   A" and resid 104  and name N   )
         (segid "   A" and resid 104  and name CA  ) (segid "   A" and resid 104  and name C   )  1.00 -127.00 43.00 2

 ASSIGN  (segid "   A" and resid 104  and name N   ) (segid "   A" and resid 104  and name CA  )
         (segid "   A" and resid 104  and name C   ) (segid "   A" and resid 105  and name N   )  1.00 149.00 29.00 2

 ASSIGN  (segid "   A" and resid 104  and name C   ) (segid "   A" and resid 105  and name N   )
         (segid "   A" and resid 105  and name CA  ) (segid "   A" and resid 105  and name C   )  1.00 -109.94 70.06 2

 ASSIGN  (segid "   A" and resid 105  and name N   ) (segid "   A" and resid 105  and name CA  )
         (segid "   A" and resid 105  and name C   ) (segid "   A" and resid 106  and name N   )  1.00 137.72 37.72 2

 ASSIGN  (segid "   A" and resid 105  and name C   ) (segid "   A" and resid 106  and name N   )
         (segid "   A" and resid 106  and name CA  ) (segid "   A" and resid 106  and name C   )  1.00 -124.71 35.29 2

 ASSIGN  (segid "   A" and resid 106  and name N   ) (segid "   A" and resid 106  and name CA  )
         (segid "   A" and resid 106  and name C   ) (segid "   A" and resid 107  and name N   )  1.00 152.80 42.80 2

 ASSIGN  (segid "   A" and resid 106  and name C   ) (segid "   A" and resid 107  and name N   )
         (segid "   A" and resid 107  and name CA  ) (segid "   A" and resid 107  and name C   )  1.00 -55.30 34.70 2

 ASSIGN  (segid "   A" and resid 107  and name N   ) (segid "   A" and resid 107  and name CA  )
         (segid "   A" and resid 107  and name C   ) (segid "   A" and resid 108  and name N   )  1.00 135.05 25.05 2

 ASSIGN  (segid "   A" and resid 107  and name C   ) (segid "   A" and resid 108  and name N   )
         (segid "   A" and resid 108  and name CA  ) (segid "   A" and resid 108  and name C   )  1.00  94.65 44.65 2

 ASSIGN  (segid "   A" and resid 108  and name N   ) (segid "   A" and resid 108  and name CA  )
         (segid "   A" and resid 108  and name C   ) (segid "   A" and resid 109  and name N   )  1.00 -14.65 15.35 2

 ASSIGN  (segid "   A" and resid 108  and name C   ) (segid "   A" and resid 109  and name N   )
         (segid "   A" and resid 109  and name CA  ) (segid "   A" and resid 109  and name C   )  1.00 -75.56 44.44 2

 ASSIGN  (segid "   A" and resid 109  and name N   ) (segid "   A" and resid 109  and name CA  )
         (segid "   A" and resid 109  and name C   ) (segid "   A" and resid 110  and name N   )  1.00 143.60 43.60 2

 ASSIGN  (segid "   A" and resid 109  and name C   ) (segid "   A" and resid 110  and name N   )
         (segid "   A" and resid 110  and name CA  ) (segid "   A" and resid 110  and name C   )  1.00 -110.21 39.79 2

 ASSIGN  (segid "   A" and resid 110  and name N   ) (segid "   A" and resid 110  and name CA  )
         (segid "   A" and resid 110  and name C   ) (segid "   A" and resid 111  and name N   )  1.00 125.86 25.86 2

 ASSIGN  (segid "   A" and resid 110  and name C   ) (segid "   A" and resid 111  and name N   )
         (segid "   A" and resid 111  and name CA  ) (segid "   A" and resid 111  and name C   )  1.00 -130.45 29.55 2

 ASSIGN  (segid "   A" and resid 111  and name N   ) (segid "   A" and resid 111  and name CA  )
         (segid "   A" and resid 111  and name C   ) (segid "   A" and resid 112  and name N   )  1.00 155.92 25.92 2

 ASSIGN  (segid "   A" and resid 111  and name C   ) (segid "   A" and resid 112  and name N   )
         (segid "   A" and resid 112  and name CA  ) (segid "   A" and resid 112  and name C   )  1.00 -105.02 44.98 2

 ASSIGN  (segid "   A" and resid 112  and name N   ) (segid "   A" and resid 112  and name CA  )
         (segid "   A" and resid 112  and name C   ) (segid "   A" and resid 113  and name N   )  1.00 124.78 24.78 2

 ASSIGN  (segid "   A" and resid 112  and name C   ) (segid "   A" and resid 113  and name N   )
         (segid "   A" and resid 113  and name CA  ) (segid "   A" and resid 113  and name C   )  1.00 -106.96 33.04 2

 ASSIGN  (segid "   A" and resid 113  and name N   ) (segid "   A" and resid 113  and name CA  )
         (segid "   A" and resid 113  and name C   ) (segid "   A" and resid 114  and name N   )  1.00 125.09 25.09 2

 ASSIGN  (segid "   A" and resid 113  and name C   ) (segid "   A" and resid 114  and name N   )
         (segid "   A" and resid 114  and name CA  ) (segid "   A" and resid 114  and name C   )  1.00 -106.59 43.41 2

 ASSIGN  (segid "   A" and resid 114  and name N   ) (segid "   A" and resid 114  and name CA  )
         (segid "   A" and resid 114  and name C   ) (segid "   A" and resid 115  and name N   )  1.00 125.58 35.58 2

 ASSIGN  (segid "   A" and resid 114  and name C   ) (segid "   A" and resid 115  and name N   )
         (segid "   A" and resid 115  and name CA  ) (segid "   A" and resid 115  and name C   )  1.00 -117.54 32.46 2

 ASSIGN  (segid "   A" and resid 115  and name N   ) (segid "   A" and resid 115  and name CA  )
         (segid "   A" and resid 115  and name C   ) (segid "   A" and resid 116  and name N   )  1.00 133.45 33.45 2

 ASSIGN  (segid "   A" and resid 115  and name C   ) (segid "   A" and resid 116  and name N   )
         (segid "   A" and resid 116  and name CA  ) (segid "   A" and resid 116  and name C   )  1.00 -108.08 41.92 2

 ASSIGN  (segid "   A" and resid 116  and name N   ) (segid "   A" and resid 116  and name CA  )
         (segid "   A" and resid 116  and name C   ) (segid "   A" and resid 117  and name N   )  1.00 123.59 23.59 2

 ASSIGN  (segid "   A" and resid 118  and name C   ) (segid "   A" and resid 119  and name N   )
         (segid "   A" and resid 119  and name CA  ) (segid "   A" and resid 119  and name C   )  1.00 -117.69 42.31 2

 ASSIGN  (segid "   A" and resid 119  and name N   ) (segid "   A" and resid 119  and name CA  )
         (segid "   A" and resid 119  and name C   ) (segid "   A" and resid 120  and name N   )  1.00 128.77 38.77 2

 ASSIGN  (segid "   A" and resid 119  and name C   ) (segid "   A" and resid 120  and name N   )
         (segid "   A" and resid 120  and name CA  ) (segid "   A" and resid 120  and name C   )  1.00 -84.02 55.98 2

 ASSIGN  (segid "   A" and resid 120  and name N   ) (segid "   A" and resid 120  and name CA  )
         (segid "   A" and resid 120  and name C   ) (segid "   A" and resid 121  and name N   )  1.00 128.56 38.56 2

 ASSIGN  (segid "   A" and resid 120  and name C   ) (segid "   A" and resid 121  and name N   )
         (segid "   A" and resid 121  and name CA  ) (segid "   A" and resid 121  and name C   )  1.00 -107.00 33.00 2

 ASSIGN  (segid "   A" and resid 121  and name N   ) (segid "   A" and resid 121  and name CA  )
         (segid "   A" and resid 121  and name C   ) (segid "   A" and resid 122  and name N   )  1.00  -7.00 23.00 2

 ASSIGN  (segid "   A" and resid 121  and name C   ) (segid "   A" and resid 122  and name N   )
         (segid "   A" and resid 122  and name CA  ) (segid "   A" and resid 122  and name C   )  1.00 -129.61 40.39 2

 ASSIGN  (segid "   A" and resid 122  and name N   ) (segid "   A" and resid 122  and name CA  )
         (segid "   A" and resid 122  and name C   ) (segid "   A" and resid 123  and name N   )  1.00 146.05 46.05 2

 ASSIGN  (segid "   A" and resid 122  and name C   ) (segid "   A" and resid 123  and name N   )
         (segid "   A" and resid 123  and name CA  ) (segid "   A" and resid 123  and name C   )  1.00 -121.72 28.28 2

 ASSIGN  (segid "   A" and resid 123  and name N   ) (segid "   A" and resid 123  and name CA  )
         (segid "   A" and resid 123  and name C   ) (segid "   A" and resid 124  and name N   )  1.00 127.26 27.26 2

 ASSIGN  (segid "   A" and resid 123  and name C   ) (segid "   A" and resid 124  and name N   )
         (segid "   A" and resid 124  and name CA  ) (segid "   A" and resid 124  and name C   )  1.00 -112.50 37.50 2

 ASSIGN  (segid "   A" and resid 124  and name N   ) (segid "   A" and resid 124  and name CA  )
         (segid "   A" and resid 124  and name C   ) (segid "   A" and resid 125  and name N   )  1.00 125.03 25.03 2

 ASSIGN  (segid "   A" and resid 124  and name C   ) (segid "   A" and resid 125  and name N   )
         (segid "   A" and resid 125  and name CA  ) (segid "   A" and resid 125  and name C   )  1.00 -114.45 35.55 2

 ASSIGN  (segid "   A" and resid 125  and name N   ) (segid "   A" and resid 125  and name CA  )
         (segid "   A" and resid 125  and name C   ) (segid "   A" and resid 126  and name N   )  1.00 131.96 31.96 2

 ASSIGN  (segid "   A" and resid 125  and name C   ) (segid "   A" and resid 126  and name N   )
         (segid "   A" and resid 126  and name CA  ) (segid "   A" and resid 126  and name C   )  1.00 -65.11 24.89 2

 ASSIGN  (segid "   A" and resid 126  and name N   ) (segid "   A" and resid 126  and name CA  )
         (segid "   A" and resid 126  and name C   ) (segid "   A" and resid 127  and name N   )  1.00 144.85 24.85 2

 ASSIGN  (segid "   A" and resid 126  and name C   ) (segid "   A" and resid 127  and name N   )
         (segid "   A" and resid 127  and name CA  ) (segid "   A" and resid 127  and name C   )  1.00 -85.00 85.00 2

 ASSIGN  (segid "   A" and resid 127  and name N   ) (segid "   A" and resid 127  and name CA  )
         (segid "   A" and resid 127  and name C   ) (segid "   A" and resid 128  and name N   )  1.00 -27.00 13.00 2

 ASSIGN  (segid "   A" and resid 127  and name C   ) (segid "   A" and resid 128  and name N   )
         (segid "   A" and resid 128  and name CA  ) (segid "   A" and resid 128  and name C   )  1.00 -132.46 37.54 2

 ASSIGN  (segid "   A" and resid 128  and name N   ) (segid "   A" and resid 128  and name CA  )
         (segid "   A" and resid 128  and name C   ) (segid "   A" and resid 129  and name N   )  1.00 152.56 42.56 2

 ASSIGN  (segid "   A" and resid 128  and name C   ) (segid "   A" and resid 129  and name N   )
         (segid "   A" and resid 129  and name CA  ) (segid "   A" and resid 129  and name C   )  1.00 -125.92 34.08 2

 ASSIGN  (segid "   A" and resid 129  and name N   ) (segid "   A" and resid 129  and name CA  )
         (segid "   A" and resid 129  and name C   ) (segid "   A" and resid 130  and name N   )  1.00 145.20 35.20 2

 ASSIGN  (segid "   A" and resid 129  and name C   ) (segid "   A" and resid 130  and name N   )
         (segid "   A" and resid 130  and name CA  ) (segid "   A" and resid 130  and name C   )  1.00 -123.35 46.65 2

 ASSIGN  (segid "   A" and resid 130  and name N   ) (segid "   A" and resid 130  and name CA  )
         (segid "   A" and resid 130  and name C   ) (segid "   A" and resid 131  and name N   )  1.00 140.30 40.30 2

 ASSIGN  (segid "   A" and resid 130  and name C   ) (segid "   A" and resid 131  and name N   )
         (segid "   A" and resid 131  and name CA  ) (segid "   A" and resid 131  and name C   )  1.00 -123.92 36.08 2

 ASSIGN  (segid "   A" and resid 131  and name N   ) (segid "   A" and resid 131  and name CA  )
         (segid "   A" and resid 131  and name C   ) (segid "   A" and resid 132  and name N   )  1.00 141.43 41.43 2

 ASSIGN  (segid "   A" and resid 131  and name C   ) (segid "   A" and resid 132  and name N   )
         (segid "   A" and resid 132  and name CA  ) (segid "   A" and resid 132  and name C   )  1.00 -104.71 35.29 2

 ASSIGN  (segid "   A" and resid 132  and name N   ) (segid "   A" and resid 132  and name CA  )
         (segid "   A" and resid 132  and name C   ) (segid "   A" and resid 133  and name N   )  1.00 121.09 21.09 2

 ASSIGN  (segid "   A" and resid 132  and name C   ) (segid "   A" and resid 133  and name N   )
         (segid "   A" and resid 133  and name CA  ) (segid "   A" and resid 133  and name C   )  1.00 -108.35 31.65 2

 ASSIGN  (segid "   A" and resid 133  and name N   ) (segid "   A" and resid 133  and name CA  )
         (segid "   A" and resid 133  and name C   ) (segid "   A" and resid 134  and name N   )  1.00 124.94 24.94 2

 ASSIGN  (segid "   A" and resid 133  and name C   ) (segid "   A" and resid 134  and name N   )
         (segid "   A" and resid 134  and name CA  ) (segid "   A" and resid 134  and name C   )  1.00 -109.49 40.51 2

 ASSIGN  (segid "   A" and resid 134  and name N   ) (segid "   A" and resid 134  and name CA  )
         (segid "   A" and resid 134  and name C   ) (segid "   A" and resid 135  and name N   )  1.00 127.52 37.52 2

 ASSIGN  (segid "   A" and resid 135  and name C   ) (segid "   A" and resid 136  and name N   )
         (segid "   A" and resid 136  and name CA  ) (segid "   A" and resid 136  and name C   )  1.00 -114.53 35.47 2

 ASSIGN  (segid "   A" and resid 136  and name N   ) (segid "   A" and resid 136  and name CA  )
         (segid "   A" and resid 136  and name C   ) (segid "   A" and resid 137  and name N   )  1.00 126.35 26.35 2

 ASSIGN  (segid "   A" and resid 136  and name C   ) (segid "   A" and resid 137  and name N   )
         (segid "   A" and resid 137  and name CA  ) (segid "   A" and resid 137  and name C   )  1.00 -122.33 37.67 2

 ASSIGN  (segid "   A" and resid 137  and name N   ) (segid "   A" and resid 137  and name CA  )
         (segid "   A" and resid 137  and name C   ) (segid "   A" and resid 138  and name N   )  1.00 141.67 41.67 2

 ASSIGN  (segid "   A" and resid 137  and name C   ) (segid "   A" and resid 138  and name N   )
         (segid "   A" and resid 138  and name CA  ) (segid "   A" and resid 138  and name C   )  1.00 -65.48 34.52 2

 ASSIGN  (segid "   A" and resid 138  and name N   ) (segid "   A" and resid 138  and name CA  )
         (segid "   A" and resid 138  and name C   ) (segid "   A" and resid 139  and name N   )  1.00 144.93 34.93 2

 ASSIGN  (segid "   A" and resid 138  and name C   ) (segid "   A" and resid 139  and name N   )
         (segid "   A" and resid 139  and name CA  ) (segid "   A" and resid 139  and name C   )  1.00  84.47 34.47 2

 ASSIGN  (segid "   A" and resid 139  and name N   ) (segid "   A" and resid 139  and name CA  )
         (segid "   A" and resid 139  and name C   ) (segid "   A" and resid 140  and name N   )  1.00  -4.33 35.67 2

 ASSIGN  (segid "   A" and resid 139  and name C   ) (segid "   A" and resid 140  and name N   )
         (segid "   A" and resid 140  and name CA  ) (segid "   A" and resid 140  and name C   )  1.00 -76.00 64.00 2

 ASSIGN  (segid "   A" and resid 140  and name N   ) (segid "   A" and resid 140  and name CA  )
         (segid "   A" and resid 140  and name C   ) (segid "   A" and resid 141  and name N   )  1.00 138.00 38.00 2

 ASSIGN  (segid "   A" and resid 141  and name C   ) (segid "   A" and resid 142  and name N   )
         (segid "   A" and resid 142  and name CA  ) (segid "   A" and resid 142  and name C   )  1.00  84.75 34.75 2

 ASSIGN  (segid "   A" and resid 142  and name N   ) (segid "   A" and resid 142  and name CA  )
         (segid "   A" and resid 142  and name C   ) (segid "   A" and resid 143  and name N   )  1.00  -4.60 25.40 2

 ASSIGN  (segid "   A" and resid 148  and name C   ) (segid "   A" and resid 149  and name N   )
         (segid "   A" and resid 149  and name CA  ) (segid "   A" and resid 149  and name C   )  1.00 -130.85 39.15 2

 ASSIGN  (segid "   A" and resid 149  and name N   ) (segid "   A" and resid 149  and name CA  )
         (segid "   A" and resid 149  and name C   ) (segid "   A" and resid 150  and name N   )  1.00 151.09 41.09 2

 ASSIGN  (segid "   A" and resid 149  and name C   ) (segid "   A" and resid 150  and name N   )
         (segid "   A" and resid 150  and name CA  ) (segid "   A" and resid 150  and name C   )  1.00 -131.64 38.36 2

 ASSIGN  (segid "   A" and resid 150  and name N   ) (segid "   A" and resid 150  and name CA  )
         (segid "   A" and resid 150  and name C   ) (segid "   A" and resid 151  and name N   )  1.00 153.49 43.49 2

 ASSIGN  (segid "   A" and resid 150  and name C   ) (segid "   A" and resid 151  and name N   )
         (segid "   A" and resid 151  and name CA  ) (segid "   A" and resid 151  and name C   )  1.00 -111.91 38.09 2

 ASSIGN  (segid "   A" and resid 151  and name N   ) (segid "   A" and resid 151  and name CA  )
         (segid "   A" and resid 151  and name C   ) (segid "   A" and resid 152  and name N   )  1.00 128.71 28.71 2

 ASSIGN  (segid "   A" and resid 151  and name C   ) (segid "   A" and resid 152  and name N   )
         (segid "   A" and resid 152  and name CA  ) (segid "   A" and resid 152  and name C   )  1.00 -129.97 40.03 2

 ASSIGN  (segid "   A" and resid 152  and name N   ) (segid "   A" and resid 152  and name CA  )
         (segid "   A" and resid 152  and name C   ) (segid "   A" and resid 153  and name N   )  1.00 144.52 34.52 2

 ASSIGN  (segid "   A" and resid 152  and name C   ) (segid "   A" and resid 153  and name N   )
         (segid "   A" and resid 153  and name CA  ) (segid "   A" and resid 153  and name C   )  1.00 -98.01 51.99 2

 ASSIGN  (segid "   A" and resid 153  and name N   ) (segid "   A" and resid 153  and name CA  )
         (segid "   A" and resid 153  and name C   ) (segid "   A" and resid 154  and name N   )  1.00 126.76 36.76 2

 ASSIGN  (segid "   A" and resid 153  and name C   ) (segid "   A" and resid 154  and name N   )
         (segid "   A" and resid 154  and name CA  ) (segid "   A" and resid 154  and name C   )  1.00 -75.00 75.00 2

 ASSIGN  (segid "   A" and resid 154  and name N   ) (segid "   A" and resid 154  and name CA  )
         (segid "   A" and resid 154  and name C   ) (segid "   A" and resid 155  and name N   )  1.00 157.00 47.00 2

 ASSIGN  (segid "   A" and resid 154  and name C   ) (segid "   A" and resid 155  and name N   )
         (segid "   A" and resid 155  and name CA  ) (segid "   A" and resid 155  and name C   )  1.00 -71.98 48.02 2

 ASSIGN  (segid "   A" and resid 155  and name N   ) (segid "   A" and resid 155  and name CA  )
         (segid "   A" and resid 155  and name C   ) (segid "   A" and resid 156  and name N   )  1.00 -10.33 29.67 2

 ASSIGN  (segid "   A" and resid 155  and name C   ) (segid "   A" and resid 156  and name N   )
         (segid "   A" and resid 156  and name CA  ) (segid "   A" and resid 156  and name C   )  1.00 -86.00 34.00 2

 ASSIGN  (segid "   A" and resid 156  and name N   ) (segid "   A" and resid 156  and name CA  )
         (segid "   A" and resid 156  and name C   ) (segid "   A" and resid 157  and name N   )  1.00  -6.00 14.00 2

 ASSIGN  (segid "   A" and resid 157  and name C   ) (segid "   A" and resid 158  and name N   )
         (segid "   A" and resid 158  and name CA  ) (segid "   A" and resid 158  and name C   )  1.00 -117.67 42.33 2

 ASSIGN  (segid "   A" and resid 158  and name N   ) (segid "   A" and resid 158  and name CA  )
         (segid "   A" and resid 158  and name C   ) (segid "   A" and resid 159  and name N   )  1.00 136.94 36.94 2

 ASSIGN  (segid "   A" and resid 158  and name C   ) (segid "   A" and resid 159  and name N   )
         (segid "   A" and resid 159  and name CA  ) (segid "   A" and resid 159  and name C   )  1.00 -115.04 24.96 2

 ASSIGN  (segid "   A" and resid 159  and name N   ) (segid "   A" and resid 159  and name CA  )
         (segid "   A" and resid 159  and name C   ) (segid "   A" and resid 160  and name N   )  1.00 128.87 28.87 2

 ASSIGN  (segid "   A" and resid 159  and name C   ) (segid "   A" and resid 160  and name N   )
         (segid "   A" and resid 160  and name CA  ) (segid "   A" and resid 160  and name C   )  1.00 -117.08 52.92 2

 ASSIGN  (segid "   A" and resid 160  and name N   ) (segid "   A" and resid 160  and name CA  )
         (segid "   A" and resid 160  and name C   ) (segid "   A" and resid 161  and name N   )  1.00 132.15 32.15 2

 ASSIGN  (segid "   A" and resid 160  and name C   ) (segid "   A" and resid 161  and name N   )
         (segid "   A" and resid 161  and name CA  ) (segid "   A" and resid 161  and name C   )  1.00 -122.99 37.01 2

 ASSIGN  (segid "   A" and resid 161  and name N   ) (segid "   A" and resid 161  and name CA  )
         (segid "   A" and resid 161  and name C   ) (segid "   A" and resid 162  and name N   )  1.00 129.64 29.64 2

 ASSIGN  (segid "   A" and resid 161  and name C   ) (segid "   A" and resid 162  and name N   )
         (segid "   A" and resid 162  and name CA  ) (segid "   A" and resid 162  and name C   )  1.00 -133.38 46.62 2

 ASSIGN  (segid "   A" and resid 162  and name N   ) (segid "   A" and resid 162  and name CA  )
         (segid "   A" and resid 162  and name C   ) (segid "   A" and resid 163  and name N   )  1.00 150.75 50.75 2

 ASSIGN  (segid "   A" and resid 162  and name C   ) (segid "   A" and resid 163  and name N   )
         (segid "   A" and resid 163  and name CA  ) (segid "   A" and resid 163  and name C   )  1.00 -65.32 24.68 2

 ASSIGN  (segid "   A" and resid 163  and name N   ) (segid "   A" and resid 163  and name CA  )
         (segid "   A" and resid 163  and name C   ) (segid "   A" and resid 164  and name N   )  1.00 145.55 25.55 2

 ASSIGN  (segid "   A" and resid 164  and name C   ) (segid "   A" and resid 165  and name N   )
         (segid "   A" and resid 165  and name CA  ) (segid "   A" and resid 165  and name C   )  1.00 -116.00 44.00 2

 ASSIGN  (segid "   A" and resid 165  and name N   ) (segid "   A" and resid 165  and name CA  )
         (segid "   A" and resid 165  and name C   ) (segid "   A" and resid 166  and name N   )  1.00 141.00 161.00 2

 ASSIGN  (segid "   A" and resid 165  and name C   ) (segid "   A" and resid 166  and name N   )
         (segid "   A" and resid 166  and name CA  ) (segid "   A" and resid 166  and name C   )  1.00 -87.67 62.33 2

 ASSIGN  (segid "   A" and resid 166  and name N   ) (segid "   A" and resid 166  and name CA  )
         (segid "   A" and resid 166  and name C   ) (segid "   A" and resid 167  and name N   )  1.00 125.96 35.96 2

 ASSIGN  (segid "   A" and resid 166  and name C   ) (segid "   A" and resid 167  and name N   )
         (segid "   A" and resid 167  and name CA  ) (segid "   A" and resid 167  and name C   )  1.00 -125.15 34.85 2

 ASSIGN  (segid "   A" and resid 167  and name N   ) (segid "   A" and resid 167  and name CA  )
         (segid "   A" and resid 167  and name C   ) (segid "   A" and resid 168  and name N   )  1.00 142.33 42.33 2

 ASSIGN  (segid "   A" and resid 167  and name C   ) (segid "   A" and resid 168  and name N   )
         (segid "   A" and resid 168  and name CA  ) (segid "   A" and resid 168  and name C   )  1.00 -68.20 31.80 2

 ASSIGN  (segid "   A" and resid 168  and name N   ) (segid "   A" and resid 168  and name CA  )
         (segid "   A" and resid 168  and name C   ) (segid "   A" and resid 169  and name N   )  1.00 143.31 53.31 2

 ASSIGN  (segid "   A" and resid 168  and name C   ) (segid "   A" and resid 169  and name N   )
         (segid "   A" and resid 169  and name CA  ) (segid "   A" and resid 169  and name C   )  1.00 -95.00 -155.00 2

 ASSIGN  (segid "   A" and resid 169  and name N   ) (segid "   A" and resid 169  and name CA  )
         (segid "   A" and resid 169  and name C   ) (segid "   A" and resid 170  and name N   )  1.00 -12.00 18.00 2

 ASSIGN  (segid "   A" and resid 169  and name C   ) (segid "   A" and resid 170  and name N   )
         (segid "   A" and resid 170  and name CA  ) (segid "   A" and resid 170  and name C   )  1.00 -73.17 26.83 2

 ASSIGN  (segid "   A" and resid 170  and name N   ) (segid "   A" and resid 170  and name CA  )
         (segid "   A" and resid 170  and name C   ) (segid "   A" and resid 171  and name N   )  1.00 144.86 24.86 2

 ASSIGN  (segid "   A" and resid 170  and name C   ) (segid "   A" and resid 171  and name N   )
         (segid "   A" and resid 171  and name CA  ) (segid "   A" and resid 171  and name C   )  1.00 -104.54 35.46 2

 ASSIGN  (segid "   A" and resid 171  and name N   ) (segid "   A" and resid 171  and name CA  )
         (segid "   A" and resid 171  and name C   ) (segid "   A" and resid 172  and name N   )  1.00 123.17 23.17 2

 ASSIGN  (segid "   A" and resid 171  and name C   ) (segid "   A" and resid 172  and name N   )
         (segid "   A" and resid 172  and name CA  ) (segid "   A" and resid 172  and name C   )  1.00 -107.15 42.85 2

 ASSIGN  (segid "   A" and resid 172  and name N   ) (segid "   A" and resid 172  and name CA  )
         (segid "   A" and resid 172  and name C   ) (segid "   A" and resid 173  and name N   )  1.00 126.01 26.01 2

 ASSIGN  (segid "   A" and resid 172  and name C   ) (segid "   A" and resid 173  and name N   )
         (segid "   A" and resid 173  and name CA  ) (segid "   A" and resid 173  and name C   )  1.00 -120.86 29.14 2

 ASSIGN  (segid "   A" and resid 173  and name N   ) (segid "   A" and resid 173  and name CA  )
         (segid "   A" and resid 173  and name C   ) (segid "   A" and resid 174  and name N   )  1.00 134.00 34.00 2

 ASSIGN  (segid "   A" and resid 173  and name C   ) (segid "   A" and resid 174  and name N   )
         (segid "   A" and resid 174  and name CA  ) (segid "   A" and resid 174  and name C   )  1.00 -120.01 39.99 2

 ASSIGN  (segid "   A" and resid 174  and name N   ) (segid "   A" and resid 174  and name CA  )
         (segid "   A" and resid 174  and name C   ) (segid "   A" and resid 175  and name N   )  1.00 132.76 32.76 2

 ASSIGN  (segid "   A" and resid 174  and name C   ) (segid "   A" and resid 175  and name N   )
         (segid "   A" and resid 175  and name CA  ) (segid "   A" and resid 175  and name C   )  1.00 -86.33 53.67 2

 ASSIGN  (segid "   A" and resid 175  and name N   ) (segid "   A" and resid 175  and name CA  )
         (segid "   A" and resid 175  and name C   ) (segid "   A" and resid 176  and name N   )  1.00 130.38 40.38 2

 ASSIGN  (segid "   A" and resid 175  and name C   ) (segid "   A" and resid 176  and name N   )
         (segid "   A" and resid 176  and name CA  ) (segid "   A" and resid 176  and name C   )  1.00 -94.06 55.94 2

 ASSIGN  (segid "   A" and resid 176  and name N   ) (segid "   A" and resid 176  and name CA  )
         (segid "   A" and resid 176  and name C   ) (segid "   A" and resid 177  and name N   )  1.00 129.51 39.51 2

 ASSIGN  (segid "   A" and resid 177  and name C   ) (segid "   A" and resid 178  and name N   )
         (segid "   A" and resid 178  and name CA  ) (segid "   A" and resid 178  and name C   )  1.00 -100.00 20.00 2

 ASSIGN  (segid "   A" and resid 178  and name N   ) (segid "   A" and resid 178  and name CA  )
         (segid "   A" and resid 178  and name C   ) (segid "   A" and resid 179  and name N   )  1.00  -3.00 57.00 2

 ASSIGN  (segid "   A" and resid 178  and name C   ) (segid "   A" and resid 179  and name N   )
         (segid "   A" and resid 179  and name CA  ) (segid "   A" and resid 179  and name C   )  1.00  80.00 30.00 2

 ASSIGN  (segid "   A" and resid 179  and name N   ) (segid "   A" and resid 179  and name CA  )
         (segid "   A" and resid 179  and name C   ) (segid "   A" and resid 180  and name N   )  1.00   8.00 38.00 2

 ASSIGN  (segid "   A" and resid 179  and name C   ) (segid "   A" and resid 180  and name N   )
         (segid "   A" and resid 180  and name CA  ) (segid "   A" and resid 180  and name C   )  1.00 -86.00 -36.00 2

 ASSIGN  (segid "   A" and resid 180  and name N   ) (segid "   A" and resid 180  and name CA  )
         (segid "   A" and resid 180  and name C   ) (segid "   A" and resid 181  and name N   )  1.00 -154.00 -274.00 2

 ASSIGN  (segid "   A" and resid 180  and name C   ) (segid "   A" and resid 181  and name N   )
         (segid "   A" and resid 181  and name CA  ) (segid "   A" and resid 181  and name C   )  1.00 -97.23 52.77 2

 ASSIGN  (segid "   A" and resid 181  and name N   ) (segid "   A" and resid 181  and name CA  )
         (segid "   A" and resid 181  and name C   ) (segid "   A" and resid 182  and name N   )  1.00 133.87 43.87 2

 ASSIGN  (segid "   A" and resid 181  and name C   ) (segid "   A" and resid 182  and name N   )
         (segid "   A" and resid 182  and name CA  ) (segid "   A" and resid 182  and name C   )  1.00 -103.66 36.34 2

 ASSIGN  (segid "   A" and resid 182  and name N   ) (segid "   A" and resid 182  and name CA  )
         (segid "   A" and resid 182  and name C   ) (segid "   A" and resid 183  and name N   )  1.00 124.66 24.66 2

 ASSIGN  (segid "   A" and resid 182  and name C   ) (segid "   A" and resid 183  and name N   )
         (segid "   A" and resid 183  and name CA  ) (segid "   A" and resid 183  and name C   )  1.00 -115.41 34.59 2

 ASSIGN  (segid "   A" and resid 183  and name N   ) (segid "   A" and resid 183  and name CA  )
         (segid "   A" and resid 183  and name C   ) (segid "   A" and resid 184  and name N   )  1.00 134.51 34.51 2

# Restraints file 6: HBONDS_CNS.tbl
 assi 
   (( segid "   A" and resid 6    and name  HN  ))
   (( segid "   A" and resid 3    and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 10   and name  HN  ))
   (( segid "   A" and resid 22   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 11   and name  HN  ))
   (( segid "   A" and resid 8    and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 13   and name  HN  ))
   (( segid "   A" and resid 20   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 11   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 20   and name  HN  ))
   (( segid "   A" and resid 13   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 18   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 18   and name  HN  ))
   (( segid "   A" and resid 15   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 19   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 42   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 21   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 40   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 40   and name  O   ))
   (( segid "   A" and resid 24   and name  HN  ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 24   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 38   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 38   and name  HN  ))
   (( segid "   A" and resid 26   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 36   and name  HN  ))
   (( segid "   A" and resid 28   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 36   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 54   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 37   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 52   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 39   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 50   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 41   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 48   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 43   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 115  and name  HN  ))
   (( segid "   A" and resid 66   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 68   and name  HN  ))
   (( segid "   A" and resid 113  and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 113  and name  HN  ))
   (( segid "   A" and resid 68   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 111  and name  HN  ))
   (( segid "   A" and resid 70   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 70   and name  HN  ))
   (( segid "   A" and resid 111  and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 85   and name  HN  ))
   (( segid "   A" and resid 69   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 71   and name  HN  ))
   (( segid "   A" and resid 83   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 72   and name  HN  ))
   (( segid "   A" and resid 109  and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 83   and name  HN  ))
   (( segid "   A" and resid 71   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 108  and name  HN  ))
   (( segid "   A" and resid 72   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 73   and name  HN  ))
   (( segid "   A" and resid 81   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 76   and name  HN  ))
   (( segid "   A" and resid 79   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 79   and name  HN  ))
   (( segid "   A" and resid 76   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 80   and name  HN  ))
   (( segid "   A" and resid 93   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 93   and name  HN  ))
   (( segid "   A" and resid 80   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 82   and name  HN  ))
   (( segid "   A" and resid 91   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 91   and name  HN  ))
   (( segid "   A" and resid 82   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 84   and name  HN  ))
   (( segid "   A" and resid 89   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 88   and name  HN  ))
   (( segid "   A" and resid 84   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 112  and name  HN  ))
   (( segid "   A" and resid 124  and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 124  and name  HN  ))
   (( segid "   A" and resid 112  and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 114  and name  HN  ))
   (( segid "   A" and resid 122  and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 122  and name  HN  ))
   (( segid "   A" and resid 114  and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 114  and name  O   ))
   (( segid "   A" and resid 121  and name  HN  ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 116  and name  HN  ))
   (( segid "   A" and resid 119  and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 119  and name  HN  ))
   (( segid "   A" and resid 116  and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 176  and name  HN  ))
   (( segid "   A" and resid 127  and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 129  and name  HN  ))
   (( segid "   A" and resid 174  and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 174  and name  HN  ))
   (( segid "   A" and resid 129  and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 131  and name  HN  ))
   (( segid "   A" and resid 172  and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 172  and name  HN  ))
   (( segid "   A" and resid 131  and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 133  and name  HN  ))
   (( segid "   A" and resid 170  and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 169  and name  HN  ))
   (( segid "   A" and resid 133  and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 170  and name  HN  ))
   (( segid "   A" and resid 167  and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 166  and name  HN  ))
   (( segid "   A" and resid 163  and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 162  and name  HN  ))
   (( segid "   A" and resid 150  and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 150  and name  HN  ))
   (( segid "   A" and resid 162  and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 152  and name  HN  ))
   (( segid "   A" and resid 160  and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 160  and name  HN  ))
   (( segid "   A" and resid 152  and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 154  and name  HN  ))
   (( segid "   A" and resid 158  and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 157  and name  HN  ))
   (( segid "   A" and resid 154  and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 134  and name  HN  ))
   (( segid "   A" and resid 153  and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 135  and name  HN  ))
   (( segid "   A" and resid 153  and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 153  and name  HN  ))
   (( segid "   A" and resid 135  and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 173  and name  HN  ))
   (( segid "   A" and resid 183  and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 182  and name  HN  ))
   (( segid "   A" and resid 173  and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 175  and name  HN  ))
   (( segid "   A" and resid 180  and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 179  and name  HN  ))
   (( segid "   A" and resid 175  and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 76   and name  N   ))
   (( segid "   A" and resid 79   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 114  and name  N   ))
   (( segid "   A" and resid 122  and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 18   and name  N   ))
   (( segid "   A" and resid 15   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 150  and name  N   ))
   (( segid "   A" and resid 162  and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 121  and name  N   ))
   (( segid "   A" and resid 114  and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 79   and name  N   ))
   (( segid "   A" and resid 76   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 21   and name  N   ))
   (( segid "   A" and resid 42   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 43   and name  N   ))
   (( segid "   A" and resid 48   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 171  and name  O   ))
   (( segid "   A" and resid 185  and name  N   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 115  and name  N   ))
   (( segid "   A" and resid 66   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 83   and name  N   ))
   (( segid "   A" and resid 71   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 68   and name  N   ))
   (( segid "   A" and resid 113  and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 24   and name  N   ))
   (( segid "   A" and resid 40   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 162  and name  N   ))
   (( segid "   A" and resid 150  and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 70   and name  N   ))
   (( segid "   A" and resid 111  and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 11   and name  N   ))
   (( segid "   A" and resid 8    and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 119  and name  N   ))
   (( segid "   A" and resid 116  and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 182  and name  N   ))
   (( segid "   A" and resid 173  and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 40   and name  N   ))
   (( segid "   A" and resid 24   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 15   and name  N   ))
   (( segid "   A" and resid 18   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 131  and name  O   ))
   (( segid "   A" and resid 172  and name  N   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 50   and name  N   ))
   (( segid "   A" and resid 41   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 91   and name  N   ))
   (( segid "   A" and resid 82   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 10   and name  N   ))
   (( segid "   A" and resid 22   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 38   and name  N   ))
   (( segid "   A" and resid 26   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 52   and name  N   ))
   (( segid "   A" and resid 39   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 160  and name  N   ))
   (( segid "   A" and resid 152  and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 131  and name  N   ))
   (( segid "   A" and resid 172  and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 152  and name  N   ))
   (( segid "   A" and resid 160  and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 54   and name  N   ))
   (( segid "   A" and resid 37   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 133  and name  N   ))
   (( segid "   A" and resid 170  and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 129  and name  N   ))
   (( segid "   A" and resid 174  and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 93   and name  N   ))
   (( segid "   A" and resid 80   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 134  and name  N   ))
   (( segid "   A" and resid 153  and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 82   and name  N   ))
   (( segid "   A" and resid 91   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 108  and name  N   ))
   (( segid "   A" and resid 72   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 39   and name  N   ))
   (( segid "   A" and resid 52   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 174  and name  N   ))
   (( segid "   A" and resid 129  and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 85   and name  N   ))
   (( segid "   A" and resid 69   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 122  and name  N   ))
   (( segid "   A" and resid 114  and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 36   and name  N   ))
   (( segid "   A" and resid 28   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 176  and name  N   ))
   (( segid "   A" and resid 127  and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 72   and name  N   ))
   (( segid "   A" and resid 109  and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 28   and name  N   ))
   (( segid "   A" and resid 36   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 44   and name  N   ))
   (( segid "   A" and resid 19   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 111  and name  N   ))
   (( segid "   A" and resid 70   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 113  and name  N   ))
   (( segid "   A" and resid 68   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 169  and name  N   ))
   (( segid "   A" and resid 133  and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 80   and name  N   ))
   (( segid "   A" and resid 93   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 173  and name  N   ))
   (( segid "   A" and resid 183  and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 124  and name  N   ))
   (( segid "   A" and resid 112  and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 6    and name  N   ))
   (( segid "   A" and resid 3    and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 175  and name  N   ))
   (( segid "   A" and resid 180  and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 66   and name  N   ))
   (( segid "   A" and resid 115  and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 89   and name  O   ))
   (( segid "   A" and resid 84   and name  N   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 83   and name  O   ))
   (( segid "   A" and resid 71   and name  N   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 135  and name  N   ))
   (( segid "   A" and resid 153  and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 116  and name  N   ))
   (( segid "   A" and resid 119  and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 112  and name  N   ))
   (( segid "   A" and resid 124  and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 154  and name  N   ))
   (( segid "   A" and resid 158  and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 157  and name  N   ))
   (( segid "   A" and resid 154  and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 13   and name  N   ))
   (( segid "   A" and resid 20   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 23   and name  N   ))
   (( segid "   A" and resid 40   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 88   and name  N   ))
   (( segid "   A" and resid 84   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 73   and name  N   ))
   (( segid "   A" and resid 81   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 20   and name  N   ))
   (( segid "   A" and resid 13   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 26   and name  N   ))
   (( segid "   A" and resid 38   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 41   and name  N   ))
   (( segid "   A" and resid 50   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 179  and name  N   ))
   (( segid "   A" and resid 175  and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 42   and name  N   ))
   (( segid "   A" and resid 21   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 166  and name  N   ))
   (( segid "   A" and resid 163  and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 37   and name  N   ))
   (( segid "   A" and resid 54   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 22   and name  N   ))
   (( segid "   A" and resid 11   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 170  and name  N   ))
   (( segid "   A" and resid 167  and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 153  and name  N   ))
   (( segid "   A" and resid 135  and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 98   and name  HN  ))
   (( segid "   A" and resid 94   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 99   and name  HN  ))
   (( segid "   A" and resid 95   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 102  and name  HN  ))
   (( segid "   A" and resid 98   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 99   and name  O   ))
   (( segid "   A" and resid 103  and name  HN  ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 102  and name  N   ))
   (( segid "   A" and resid 98   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 99   and name  N   ))
   (( segid "   A" and resid 95   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 103  and name  N   ))
   (( segid "   A" and resid 99   and name  O   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 98   and name  N   ))
   (( segid "   A" and resid 94   and name  O   ))
      3.200     0.684     0.727

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           HT1      MET   1 -25.497  -7.298   5.494
    2    H2   MET   1           HT2      MET   1 -26.009  -8.180   4.147
    3    H3   MET   1           HT3      MET   1 -27.092  -7.159   4.952
    4    HA   MET   1           HA       MET   1 -24.669  -6.293   3.498
    5    HB2  MET   1           HB2      MET   1 -27.584  -6.299   2.764
    6    HB3  MET   1           HB1      MET   1 -26.459  -5.168   2.026
    7    HG2  MET   1           HG2      MET   1 -25.109  -7.064   1.235
    8    HG3  MET   1           HG1      MET   1 -26.289  -8.170   1.932
    9    HE1  MET   1           HE1      MET   1 -26.832  -8.502  -1.948
   10    HE2  MET   1           HE2      MET   1 -26.433  -9.357  -0.457
   11    HE3  MET   1           HE3      MET   1 -25.301  -8.187  -1.135
   12    H    ILE   2           HN       ILE   2 -24.848  -3.887   3.030
   13    HA   ILE   2           HA       ILE   2 -25.234  -2.640   5.645
   14    HB   ILE   2           HB       ILE   2 -23.801  -1.585   3.207
   15   HG12  ILE   2          HG12      ILE   2 -22.701  -2.811   5.744
   16   HG13  ILE   2          HG11      ILE   2 -22.718  -3.583   4.162
   17   HG21  ILE   2          HG21      ILE   2 -24.598   0.203   4.639
   18   HG22  ILE   2          HG22      ILE   2 -22.843   0.062   4.753
   19   HG23  ILE   2          HG23      ILE   2 -23.864  -0.571   6.044
   20   HD11  ILE   2          HD11      ILE   2 -20.527  -2.640   4.754
   21   HD12  ILE   2          HD12      ILE   2 -21.258  -1.036   4.817
   22   HD13  ILE   2          HD13      ILE   2 -21.209  -1.924   3.295
   23    H    SER   3           HN       SER   3 -26.738  -1.198   6.056
   24    HA   SER   3           HA       SER   3 -28.516  -0.255   3.964
   25    HB2  SER   3           HB2      SER   3 -29.536   0.890   6.125
   26    HB3  SER   3           HB1      SER   3 -29.778  -0.829   5.820
   27    HG   SER   3           HG       SER   3 -28.018   0.432   7.651
   28    H    VAL   4           HN       VAL   4 -29.056   2.068   3.856
   29    HA   VAL   4           HA       VAL   4 -26.647   3.497   3.402
   30    HB   VAL   4           HB       VAL   4 -28.000   5.264   2.503
   31   HG11  VAL   4          HG11      VAL   4 -29.288   4.022   0.831
   32   HG12  VAL   4          HG12      VAL   4 -29.146   2.565   1.815
   33   HG13  VAL   4          HG13      VAL   4 -27.703   3.300   1.114
   34   HG21  VAL   4          HG21      VAL   4 -30.446   5.247   2.632
   35   HG22  VAL   4          HG22      VAL   4 -29.718   5.372   4.234
   36   HG23  VAL   4          HG23      VAL   4 -30.380   3.834   3.684
   37    H    ASN   5           HN       ASN   5 -28.329   3.104   6.223
   38    HA   ASN   5           HA       ASN   5 -27.643   5.767   7.237
   39    HB2  ASN   5           HB2      ASN   5 -29.924   4.693   7.665
   40    HB3  ASN   5           HB1      ASN   5 -29.087   3.577   8.739
   41   HD21  ASN   5          HD21      ASN   5 -28.372   4.296  10.724
   42   HD22  ASN   5          HD22      ASN   5 -28.784   5.848  11.366
   43    H    ASP   6           HN       ASP   6 -26.001   3.101   6.688
   44    HA   ASP   6           HA       ASP   6 -24.530   3.226   9.233
   45    HB2  ASP   6           HB2      ASP   6 -25.155   0.792   7.559
   46    HB3  ASP   6           HB1      ASP   6 -23.942   0.802   8.835
   47    H    PHE   7           HN       PHE   7 -23.101   4.709   8.412
   48    HA   PHE   7           HA       PHE   7 -20.991   3.538   6.778
   49    HB2  PHE   7           HB2      PHE   7 -22.372   6.167   6.220
   50    HB3  PHE   7           HB1      PHE   7 -20.745   5.840   5.641
   51    HD1  PHE   7           HD1      PHE   7 -24.218   5.524   4.970
   52    HD2  PHE   7           HD2      PHE   7 -20.431   3.759   4.174
   53    HE1  PHE   7           HE1      PHE   7 -25.147   4.421   2.984
   54    HE2  PHE   7           HE2      PHE   7 -21.360   2.652   2.186
   55    HZ   PHE   7           HZ       PHE   7 -23.724   2.979   1.591
   56    H    LYS   8           HN       LYS   8 -18.914   4.636   7.118
   57    HA   LYS   8           HA       LYS   8 -18.845   6.381   9.468
   58    HB2  LYS   8           HB2      LYS   8 -18.556   3.908  10.092
   59    HB3  LYS   8           HB1      LYS   8 -17.026   3.982   9.234
   60    HG2  LYS   8           HG2      LYS   8 -16.619   4.257  11.576
   61    HG3  LYS   8           HG1      LYS   8 -16.301   5.788  10.762
   62    HD2  LYS   8           HD2      LYS   8 -17.502   6.228  12.800
   63    HD3  LYS   8           HD1      LYS   8 -18.570   6.555  11.437
   64    HE2  LYS   8           HE2      LYS   8 -19.626   4.364  11.744
   65    HE3  LYS   8           HE1      LYS   8 -18.555   4.042  13.106
   66    HZ1  LYS   8           HZ1      LYS   8 -20.668   4.792  13.910
   67    HZ2  LYS   8           HZ2      LYS   8 -20.613   6.173  12.940
   68    HZ3  LYS   8           HZ3      LYS   8 -19.523   5.999  14.219
   69    H    THR   9           HN       THR   9 -16.626   7.326   9.772
   70    HA   THR   9           HA       THR   9 -15.684   8.561   7.467
   71    HB   THR   9           HB       THR   9 -15.300   9.448   9.737
   72    HG1  THR   9           HG1      THR   9 -13.612   9.466   7.701
   73   HG21  THR   9          HG21      THR   9 -13.267   7.223   9.943
   74   HG22  THR   9          HG22      THR   9 -14.736   7.392  10.904
   75   HG23  THR   9          HG23      THR   9 -13.427   8.559  11.081
   76    H    GLY  10           HN       GLY  10 -14.987   5.449   8.698
   77    HA2  GLY  10           HA2      GLY  10 -13.612   4.956   6.189
   78    HA3  GLY  10           HA1      GLY  10 -12.794   4.435   7.661
   79    H    LEU  11           HN       LEU  11 -14.945   3.561   5.293
   80    HA   LEU  11           HA       LEU  11 -15.469   1.055   6.643
   81    HB2  LEU  11           HB2      LEU  11 -17.389   2.481   7.239
   82    HB3  LEU  11           HB1      LEU  11 -17.698   2.769   5.541
   83    HG   LEU  11           HG       LEU  11 -18.153   0.342   5.250
   84   HD11  LEU  11          HD11      LEU  11 -16.841  -0.524   7.094
   85   HD12  LEU  11          HD12      LEU  11 -18.524  -1.022   7.257
   86   HD13  LEU  11          HD13      LEU  11 -17.892   0.289   8.251
   87   HD21  LEU  11          HD21      LEU  11 -20.333   0.373   6.324
   88   HD22  LEU  11          HD22      LEU  11 -19.967   1.946   5.616
   89   HD23  LEU  11          HD23      LEU  11 -19.821   1.706   7.357
   90    H    THR  12           HN       THR  12 -15.444  -0.629   5.221
   91    HA   THR  12           HA       THR  12 -14.925   0.097   2.445
   92    HB   THR  12           HB       THR  12 -14.229  -2.442   2.441
   93    HG1  THR  12           HG1      THR  12 -14.529  -3.217   4.399
   94   HG21  THR  12          HG21      THR  12 -12.597  -0.265   3.742
   95   HG22  THR  12          HG22      THR  12 -12.715  -0.584   2.011
   96   HG23  THR  12          HG23      THR  12 -11.956  -1.766   3.076
   97    H    ILE  13           HN       ILE  13 -16.283  -0.279   0.883
   98    HA   ILE  13           HA       ILE  13 -18.445  -2.245   1.255
   99    HB   ILE  13           HB       ILE  13 -18.693   0.541   0.102
  100   HG12  ILE  13          HG12      ILE  13 -20.696   0.485   1.783
  101   HG13  ILE  13          HG11      ILE  13 -19.802  -0.837   2.521
  102   HG21  ILE  13          HG21      ILE  13 -19.878  -1.001  -1.349
  103   HG22  ILE  13          HG22      ILE  13 -21.014   0.002  -0.447
  104   HG23  ILE  13          HG23      ILE  13 -20.737  -1.671   0.038
  105   HD11  ILE  13          HD11      ILE  13 -19.327   1.242   3.637
  106   HD12  ILE  13          HD12      ILE  13 -18.812   1.966   2.114
  107   HD13  ILE  13          HD13      ILE  13 -17.882   0.644   2.820
  108    H    SER  14           HN       SER  14 -18.874  -3.534  -0.515
  109    HA   SER  14           HA       SER  14 -17.164  -3.098  -2.845
  110    HB2  SER  14           HB2      SER  14 -17.998  -5.515  -3.351
  111    HB3  SER  14           HB1      SER  14 -16.817  -5.280  -2.066
  112    HG   SER  14           HG       SER  14 -18.955  -6.571  -1.762
  113    H    VAL  15           HN       VAL  15 -18.064  -1.988  -4.421
  114    HA   VAL  15           HA       VAL  15 -20.675  -2.662  -5.435
  115    HB   VAL  15           HB       VAL  15 -21.149  -1.039  -3.581
  116   HG11  VAL  15          HG11      VAL  15 -20.600   1.330  -3.913
  117   HG12  VAL  15          HG12      VAL  15 -19.619   0.894  -5.312
  118   HG13  VAL  15          HG13      VAL  15 -19.163   0.331  -3.704
  119   HG21  VAL  15          HG21      VAL  15 -22.636   0.408  -4.884
  120   HG22  VAL  15          HG22      VAL  15 -22.705  -1.268  -5.427
  121   HG23  VAL  15          HG23      VAL  15 -21.801  -0.075  -6.360
  122    H    ASP  16           HN       ASP  16 -21.049  -1.589  -7.537
  123    HA   ASP  16           HA       ASP  16 -20.369  -0.976  -9.621
  124    HB2  ASP  16           HB2      ASP  16 -18.498   0.688  -7.944
  125    HB3  ASP  16           HB1      ASP  16 -18.418   0.717  -9.702
  126    H    ASN  17           HN       ASN  17 -19.178  -3.304  -8.217
  127    HA   ASN  17           HA       ASN  17 -17.723  -4.984  -8.653
  128    HB2  ASN  17           HB2      ASN  17 -17.263  -3.387 -11.160
  129    HB3  ASN  17           HB1      ASN  17 -16.499  -4.944 -10.858
  130   HD21  ASN  17          HD21      ASN  17 -17.720  -6.800 -10.934
  131   HD22  ASN  17          HD22      ASN  17 -19.326  -6.836 -11.574
  132    H    ALA  18           HN       ALA  18 -16.930  -2.630  -7.119
  133    HA   ALA  18           HA       ALA  18 -14.067  -3.184  -7.120
  134    HB1  ALA  18           HB1      ALA  18 -13.523  -0.790  -6.886
  135    HB2  ALA  18           HB2      ALA  18 -15.217  -0.395  -7.201
  136    HB3  ALA  18           HB3      ALA  18 -14.243  -1.165  -8.454
  137    H    ILE  19           HN       ILE  19 -13.043  -2.404  -5.112
  138    HA   ILE  19           HA       ILE  19 -14.951  -2.447  -2.884
  139    HB   ILE  19           HB       ILE  19 -12.964  -3.044  -1.465
  140   HG12  ILE  19          HG12      ILE  19 -11.688  -3.471  -4.172
  141   HG13  ILE  19          HG11      ILE  19 -11.196  -2.284  -2.969
  142   HG21  ILE  19          HG21      ILE  19 -14.593  -4.707  -2.139
  143   HG22  ILE  19          HG22      ILE  19 -12.975  -5.408  -2.151
  144   HG23  ILE  19          HG23      ILE  19 -13.748  -4.950  -3.667
  145   HD11  ILE  19          HD11      ILE  19 -10.590  -4.091  -1.447
  146   HD12  ILE  19          HD12      ILE  19  -9.710  -4.191  -2.972
  147   HD13  ILE  19          HD13      ILE  19 -11.071  -5.270  -2.666
  148    H    TRP  20           HN       TRP  20 -15.160  -0.748  -1.627
  149    HA   TRP  20           HA       TRP  20 -13.458   1.566  -2.251
  150    HB2  TRP  20           HB2      TRP  20 -16.411   1.470  -1.631
  151    HB3  TRP  20           HB1      TRP  20 -15.490   2.930  -1.936
  152    HD1  TRP  20           HD1      TRP  20 -17.015  -0.061  -3.686
  153    HE1  TRP  20           HE1      TRP  20 -17.036   0.351  -6.219
  154    HE3  TRP  20           HE3      TRP  20 -14.227   4.210  -3.806
  155    HZ2  TRP  20           HZ2      TRP  20 -15.994   2.252  -8.035
  156    HZ3  TRP  20           HZ3      TRP  20 -13.783   5.266  -5.981
  157    HH2  TRP  20           HH2      TRP  20 -14.649   4.307  -8.051
  158    H    LYS  21           HN       LYS  21 -13.400   3.243  -0.625
  159    HA   LYS  21           HA       LYS  21 -13.822   2.294   2.120
  160    HB2  LYS  21           HB2      LYS  21 -11.471   1.995   1.632
  161    HB3  LYS  21           HB1      LYS  21 -11.361   3.621   0.977
  162    HG2  LYS  21           HG2      LYS  21 -11.791   4.543   3.202
  163    HG3  LYS  21           HG1      LYS  21 -11.887   2.906   3.853
  164    HD2  LYS  21           HD2      LYS  21  -9.593   2.484   3.297
  165    HD3  LYS  21           HD1      LYS  21  -9.474   4.013   2.426
  166    HE2  LYS  21           HE2      LYS  21  -8.419   4.230   4.582
  167    HE3  LYS  21           HE1      LYS  21  -9.879   5.213   4.541
  168    HZ1  LYS  21           HZ1      LYS  21  -9.568   2.565   5.837
  169    HZ2  LYS  21           HZ2      LYS  21 -11.025   3.409   5.726
  170    HZ3  LYS  21           HZ3      LYS  21  -9.742   4.055   6.616
  171    H    VAL  22           HN       VAL  22 -15.496   3.573   2.653
  172    HA   VAL  22           HA       VAL  22 -15.909   6.205   1.743
  173    HB   VAL  22           HB       VAL  22 -17.020   4.836   4.193
  174   HG11  VAL  22          HG11      VAL  22 -17.842   7.418   2.860
  175   HG12  VAL  22          HG12      VAL  22 -17.160   7.241   4.476
  176   HG13  VAL  22          HG13      VAL  22 -18.761   6.592   4.119
  177   HG21  VAL  22          HG21      VAL  22 -17.596   3.772   2.064
  178   HG22  VAL  22          HG22      VAL  22 -18.198   5.312   1.456
  179   HG23  VAL  22          HG23      VAL  22 -19.005   4.523   2.810
  180    H    ILE  23           HN       ILE  23 -14.766   7.883   2.136
  181    HA   ILE  23           HA       ILE  23 -13.108   8.127   4.500
  182    HB   ILE  23           HB       ILE  23 -13.480   9.989   2.147
  183   HG12  ILE  23          HG12      ILE  23 -12.540   7.801   1.515
  184   HG13  ILE  23          HG11      ILE  23 -11.362   9.094   1.321
  185   HG21  ILE  23          HG21      ILE  23 -11.381   9.984   4.318
  186   HG22  ILE  23          HG22      ILE  23 -12.666  11.174   4.104
  187   HG23  ILE  23          HG23      ILE  23 -11.386  11.033   2.899
  188   HD11  ILE  23          HD11      ILE  23 -11.485   7.117   3.588
  189   HD12  ILE  23          HD12      ILE  23 -10.316   8.426   3.433
  190   HD13  ILE  23          HD13      ILE  23 -10.332   7.115   2.254
  191    H    ASP  24           HN       ASP  24 -15.982   9.526   3.057
  192    HA   ASP  24           HA       ASP  24 -16.828  10.674   5.544
  193    HB2  ASP  24           HB2      ASP  24 -15.228  12.391   4.817
  194    HB3  ASP  24           HB1      ASP  24 -16.070  12.522   3.278
  195    H    PHE  25           HN       PHE  25 -18.944  10.174   5.532
  196    HA   PHE  25           HA       PHE  25 -20.294  10.109   2.928
  197    HB2  PHE  25           HB2      PHE  25 -21.816   8.519   3.795
  198    HB3  PHE  25           HB1      PHE  25 -20.236   8.027   4.385
  199    HD1  PHE  25           HD1      PHE  25 -19.614   8.578   6.763
  200    HD2  PHE  25           HD2      PHE  25 -23.574   8.978   5.261
  201    HE1  PHE  25           HE1      PHE  25 -20.488   8.546   9.060
  202    HE2  PHE  25           HE2      PHE  25 -24.454   8.949   7.557
  203    HZ   PHE  25           HZ       PHE  25 -22.909   8.733   9.461
  204    H    GLN  26           HN       GLN  26 -22.252  11.127   2.585
  205    HA   GLN  26           HA       GLN  26 -23.146  12.958   4.711
  206    HB2  GLN  26           HB2      GLN  26 -22.073  14.253   2.975
  207    HB3  GLN  26           HB1      GLN  26 -23.003  13.433   1.730
  208    HG2  GLN  26           HG2      GLN  26 -23.874  15.652   2.111
  209    HG3  GLN  26           HG1      GLN  26 -25.054  14.440   2.603
  210   HE21  GLN  26          HE21      GLN  26 -22.226  15.324   4.477
  211   HE22  GLN  26          HE22      GLN  26 -23.094  16.065   5.775
  212    H    HIS  27           HN       HIS  27 -24.934  11.966   5.484
  213    HA   HIS  27           HA       HIS  27 -26.814  10.638   3.752
  214    HB2  HIS  27           HB2      HIS  27 -26.443   9.932   6.121
  215    HB3  HIS  27           HB1      HIS  27 -27.152  11.453   6.651
  216    HD1  HIS  27           HD1      HIS  27 -29.679  11.593   6.741
  217    HD2  HIS  27           HD2      HIS  27 -28.309   8.120   4.905
  218    HE1  HIS  27           HE1      HIS  27 -31.712  10.150   6.412
  219    HE2  HIS  27           HE2      HIS  27 -30.862   8.044   5.328
  220    H    VAL  28           HN       VAL  28 -27.730  11.988   2.323
  221    HA   VAL  28           HA       VAL  28 -28.598  14.631   3.258
  222    HB   VAL  28           HB       VAL  28 -26.972  14.760   1.485
  223   HG11  VAL  28          HG11      VAL  28 -28.824  12.962  -0.068
  224   HG12  VAL  28          HG12      VAL  28 -27.164  12.624   0.434
  225   HG13  VAL  28          HG13      VAL  28 -27.486  13.858  -0.785
  226   HG21  VAL  28          HG21      VAL  28 -28.236  16.037  -0.201
  227   HG22  VAL  28          HG22      VAL  28 -28.686  16.457   1.451
  228   HG23  VAL  28          HG23      VAL  28 -29.739  15.421   0.488
  229    H    LYS  29           HN       LYS  29 -30.648  15.265   3.142
  230    HA   LYS  29           HA       LYS  29 -32.596  13.495   1.822
  231    HB2  LYS  29           HB2      LYS  29 -32.846  13.499   4.272
  232    HB3  LYS  29           HB1      LYS  29 -32.991  15.250   4.258
  233    HG2  LYS  29           HG2      LYS  29 -35.055  15.055   2.943
  234    HG3  LYS  29           HG1      LYS  29 -34.913  13.298   3.007
  235    HD2  LYS  29           HD2      LYS  29 -35.077  13.361   5.438
  236    HD3  LYS  29           HD1      LYS  29 -35.165  15.121   5.398
  237    HE2  LYS  29           HE2      LYS  29 -37.162  13.239   4.146
  238    HE3  LYS  29           HE1      LYS  29 -37.375  14.080   5.680
  239    HZ1  LYS  29           HZ1      LYS  29 -38.502  15.249   3.916
  240    HZ2  LYS  29           HZ2      LYS  29 -37.079  15.355   3.017
  241    HZ3  LYS  29           HZ3      LYS  29 -37.214  16.189   4.480
  242    HA   PRO  30           HA       PRO  30 -32.535  17.447  -0.476
  243    HB2  PRO  30           HB2      PRO  30 -33.621  15.813  -2.656
  244    HB3  PRO  30           HB1      PRO  30 -32.142  16.774  -2.606
  245    HG2  PRO  30           HG2      PRO  30 -32.097  14.081  -2.616
  246    HG3  PRO  30           HG1      PRO  30 -30.888  15.042  -1.744
  247    HD2  PRO  30           HD2      PRO  30 -33.301  13.615  -0.683
  248    HD3  PRO  30           HD1      PRO  30 -31.661  13.714  -0.005
  249    H    GLY  31           HN       GLY  31 -35.081  15.306   0.326
  250    HA2  GLY  31           HA2      GLY  31 -37.242  16.003   0.919
  251    HA3  GLY  31           HA1      GLY  31 -36.978  17.499   0.037
  252    H    LYS  32           HN       LYS  32 -36.280  14.423  -1.412
  253    HA   LYS  32           HA       LYS  32 -38.319  14.964  -3.428
  254    HB2  LYS  32           HB2      LYS  32 -35.961  14.466  -4.091
  255    HB3  LYS  32           HB1      LYS  32 -36.149  12.856  -3.412
  256    HG2  LYS  32           HG2      LYS  32 -37.905  12.367  -5.027
  257    HG3  LYS  32           HG1      LYS  32 -37.747  13.991  -5.697
  258    HD2  LYS  32           HD2      LYS  32 -35.415  13.495  -6.302
  259    HD3  LYS  32           HD1      LYS  32 -35.609  11.861  -5.664
  260    HE2  LYS  32           HE2      LYS  32 -35.854  11.865  -8.081
  261    HE3  LYS  32           HE1      LYS  32 -37.377  11.438  -7.307
  262    HZ1  LYS  32           HZ1      LYS  32 -38.140  13.710  -7.647
  263    HZ2  LYS  32           HZ2      LYS  32 -37.719  12.991  -9.117
  264    HZ3  LYS  32           HZ3      LYS  32 -36.678  14.110  -8.397
  265    H    GLY  33           HN       GLY  33 -37.948  13.171  -0.632
  266    HA2  GLY  33           HA2      GLY  33 -39.891  11.917   0.156
  267    HA3  GLY  33           HA1      GLY  33 -40.046  11.267  -1.472
  268    H    SER  34           HN       SER  34 -37.022  11.122  -1.500
  269    HA   SER  34           HA       SER  34 -36.658   8.772   0.225
  270    HB2  SER  34           HB2      SER  34 -35.649   9.050  -2.619
  271    HB3  SER  34           HB1      SER  34 -35.460   7.646  -1.568
  272    HG   SER  34           HG       SER  34 -37.780   7.496  -1.554
  273    H    ALA  35           HN       ALA  35 -34.671   8.627   1.207
  274    HA   ALA  35           HA       ALA  35 -32.975  10.981   0.986
  275    HB1  ALA  35           HB1      ALA  35 -31.866  10.133   2.992
  276    HB2  ALA  35           HB2      ALA  35 -32.888   8.695   2.944
  277    HB3  ALA  35           HB3      ALA  35 -33.607  10.282   3.217
  278    H    PHE  36           HN       PHE  36 -30.737  10.851   0.729
  279    HA   PHE  36           HA       PHE  36 -29.742   8.393  -0.523
  280    HB2  PHE  36           HB2      PHE  36 -29.238  11.195  -1.563
  281    HB3  PHE  36           HB1      PHE  36 -28.614   9.701  -2.252
  282    HD1  PHE  36           HD1      PHE  36 -30.102   8.176  -3.466
  283    HD2  PHE  36           HD2      PHE  36 -31.488  11.904  -1.948
  284    HE1  PHE  36           HE1      PHE  36 -32.090   8.022  -4.907
  285    HE2  PHE  36           HE2      PHE  36 -33.474  11.757  -3.391
  286    HZ   PHE  36           HZ       PHE  36 -33.778   9.814  -4.870
  287    H    VAL  37           HN       VAL  37 -27.293   8.455  -0.627
  288    HA   VAL  37           HA       VAL  37 -26.174  10.124   1.519
  289    HB   VAL  37           HB       VAL  37 -25.518   7.195   1.129
  290   HG11  VAL  37          HG11      VAL  37 -24.260   7.429   3.214
  291   HG12  VAL  37          HG12      VAL  37 -24.621   9.157   3.228
  292   HG13  VAL  37          HG13      VAL  37 -23.627   8.474   1.942
  293   HG21  VAL  37          HG21      VAL  37 -26.625   6.848   3.289
  294   HG22  VAL  37          HG22      VAL  37 -27.743   7.446   2.062
  295   HG23  VAL  37          HG23      VAL  37 -27.118   8.541   3.295
  296    H    ARG  38           HN       ARG  38 -24.987  11.482   0.322
  297    HA   ARG  38           HA       ARG  38 -23.389  10.600  -1.908
  298    HB2  ARG  38           HB2      ARG  38 -24.338  12.895  -1.804
  299    HB3  ARG  38           HB1      ARG  38 -23.319  13.231  -0.409
  300    HG2  ARG  38           HG2      ARG  38 -21.325  12.829  -1.806
  301    HG3  ARG  38           HG1      ARG  38 -22.382  12.603  -3.200
  302    HD2  ARG  38           HD2      ARG  38 -23.211  14.878  -2.962
  303    HD3  ARG  38           HD1      ARG  38 -22.213  15.104  -1.527
  304    HE   ARG  38           HE       ARG  38 -20.827  14.388  -3.993
  305   HH11  ARG  38          HH11      ARG  38 -21.807  16.938  -1.789
  306   HH12  ARG  38          HH12      ARG  38 -20.574  18.037  -2.320
  307   HH21  ARG  38          HH21      ARG  38 -19.201  15.814  -4.670
  308   HH22  ARG  38          HH22      ARG  38 -19.092  17.401  -3.966
  309    H    SER  39           HN       SER  39 -21.829   9.184  -1.335
  310    HA   SER  39           HA       SER  39 -20.277   9.780   1.070
  311    HB2  SER  39           HB2      SER  39 -20.426   7.195  -0.489
  312    HB3  SER  39           HB1      SER  39 -19.651   7.438   1.077
  313    HG   SER  39           HG       SER  39 -22.406   7.513   0.442
  314    H    LYS  40           HN       LYS  40 -18.288  10.517   0.905
  315    HA   LYS  40           HA       LYS  40 -16.862  10.464  -1.628
  316    HB2  LYS  40           HB2      LYS  40 -16.817  12.387   0.110
  317    HB3  LYS  40           HB1      LYS  40 -15.767  11.340   1.052
  318    HG2  LYS  40           HG2      LYS  40 -14.316  12.749  -0.104
  319    HG3  LYS  40           HG1      LYS  40 -14.280  11.235  -1.008
  320    HD2  LYS  40           HD2      LYS  40 -14.409  13.115  -2.535
  321    HD3  LYS  40           HD1      LYS  40 -15.904  12.180  -2.603
  322    HE2  LYS  40           HE2      LYS  40 -17.050  13.789  -1.249
  323    HE3  LYS  40           HE1      LYS  40 -15.552  14.656  -0.922
  324    HZ1  LYS  40           HZ1      LYS  40 -16.828  15.807  -2.578
  325    HZ2  LYS  40           HZ2      LYS  40 -16.920  14.426  -3.553
  326    HZ3  LYS  40           HZ3      LYS  40 -15.428  15.188  -3.297
  327    H    LEU  41           HN       LEU  41 -15.818   8.582  -2.154
  328    HA   LEU  41           HA       LEU  41 -14.529   7.149   0.025
  329    HB2  LEU  41           HB2      LEU  41 -15.532   5.050  -0.438
  330    HB3  LEU  41           HB1      LEU  41 -16.815   6.223  -0.243
  331    HG   LEU  41           HG       LEU  41 -15.882   4.956  -2.820
  332   HD11  LEU  41          HD11      LEU  41 -18.516   4.883  -1.356
  333   HD12  LEU  41          HD12      LEU  41 -17.328   3.583  -1.408
  334   HD13  LEU  41          HD13      LEU  41 -18.155   4.081  -2.884
  335   HD21  LEU  41          HD21      LEU  41 -17.965   7.101  -2.436
  336   HD22  LEU  41          HD22      LEU  41 -17.653   6.219  -3.932
  337   HD23  LEU  41          HD23      LEU  41 -16.419   7.289  -3.265
  338    H    ARG  42           HN       ARG  42 -12.851   5.837  -0.491
  339    HA   ARG  42           HA       ARG  42 -11.588   6.534  -3.037
  340    HB2  ARG  42           HB2      ARG  42 -10.325   7.228  -1.132
  341    HB3  ARG  42           HB1      ARG  42 -10.521   5.671  -0.349
  342    HG2  ARG  42           HG2      ARG  42  -9.063   4.637  -2.004
  343    HG3  ARG  42           HG1      ARG  42  -8.896   6.186  -2.835
  344    HD2  ARG  42           HD2      ARG  42  -7.852   7.158  -0.877
  345    HD3  ARG  42           HD1      ARG  42  -8.094   5.666   0.027
  346    HE   ARG  42           HE       ARG  42  -6.531   4.623  -1.612
  347   HH11  ARG  42          HH11      ARG  42  -6.426   8.075  -1.009
  348   HH12  ARG  42          HH12      ARG  42  -4.767   8.236  -1.485
  349   HH21  ARG  42          HH21      ARG  42  -4.321   4.848  -2.214
  350   HH22  ARG  42          HH22      ARG  42  -3.575   6.413  -2.153
  351    H    ASN  43           HN       ASN  43 -11.247   5.022  -4.556
  352    HA   ASN  43           HA       ASN  43 -12.008   2.310  -4.227
  353    HB2  ASN  43           HB2      ASN  43 -11.797   3.528  -6.453
  354    HB3  ASN  43           HB1      ASN  43 -10.053   3.369  -6.286
  355   HD21  ASN  43          HD21      ASN  43 -11.924   2.271  -8.283
  356   HD22  ASN  43          HD22      ASN  43 -11.638   0.562  -8.281
  357    H    LEU  44           HN       LEU  44 -10.992   0.882  -2.995
  358    HA   LEU  44           HA       LEU  44  -8.526   1.575  -1.750
  359    HB2  LEU  44           HB2      LEU  44 -10.445   0.394  -0.665
  360    HB3  LEU  44           HB1      LEU  44 -10.066  -1.019  -1.624
  361    HG   LEU  44           HG       LEU  44  -7.855   0.036   0.036
  362   HD11  LEU  44          HD11      LEU  44  -9.714   0.316   1.574
  363   HD12  LEU  44          HD12      LEU  44  -8.734  -1.070   2.051
  364   HD13  LEU  44          HD13      LEU  44 -10.272  -1.320   1.227
  365   HD21  LEU  44          HD21      LEU  44  -7.477  -2.344   0.392
  366   HD22  LEU  44          HD22      LEU  44  -7.644  -1.988  -1.328
  367   HD23  LEU  44          HD23      LEU  44  -8.984  -2.716  -0.443
  368    H    ARG  45           HN       ARG  45  -9.302  -0.005  -4.620
  369    HA   ARG  45           HA       ARG  45  -6.966  -1.718  -4.667
  370    HB2  ARG  45           HB2      ARG  45  -8.896  -1.113  -6.907
  371    HB3  ARG  45           HB1      ARG  45  -7.756  -2.451  -6.821
  372    HG2  ARG  45           HG2      ARG  45  -9.018  -3.191  -4.750
  373    HG3  ARG  45           HG1      ARG  45 -10.258  -2.029  -5.229
  374    HD2  ARG  45           HD2      ARG  45 -10.865  -4.180  -6.078
  375    HD3  ARG  45           HD1      ARG  45 -10.376  -3.164  -7.435
  376    HE   ARG  45           HE       ARG  45  -8.129  -4.345  -7.134
  377   HH11  ARG  45          HH11      ARG  45 -11.233  -5.822  -6.487
  378   HH12  ARG  45          HH12      ARG  45 -10.677  -7.429  -6.822
  379   HH21  ARG  45          HH21      ARG  45  -7.383  -6.457  -7.544
  380   HH22  ARG  45          HH22      ARG  45  -8.492  -7.799  -7.423
  381    H    THR  46           HN       THR  46  -8.094   1.226  -6.298
  382    HA   THR  46           HA       THR  46  -5.551   1.373  -7.725
  383    HB   THR  46           HB       THR  46  -6.695   3.070  -9.122
  384    HG1  THR  46           HG1      THR  46  -8.983   3.293  -8.802
  385   HG21  THR  46          HG21      THR  46  -8.253   1.520 -10.213
  386   HG22  THR  46          HG22      THR  46  -8.185   0.466  -8.800
  387   HG23  THR  46          HG23      THR  46  -6.741   0.722  -9.782
  388    H    GLY  47           HN       GLY  47  -7.265   2.812  -5.145
  389    HA2  GLY  47           HA2      GLY  47  -6.491   4.418  -3.643
  390    HA3  GLY  47           HA1      GLY  47  -5.175   4.779  -4.752
  391    H    ALA  48           HN       ALA  48  -8.166   4.661  -6.295
  392    HA   ALA  48           HA       ALA  48  -7.967   7.437  -6.975
  393    HB1  ALA  48           HB1      ALA  48  -9.787   7.006  -8.484
  394    HB2  ALA  48           HB2      ALA  48 -10.113   5.459  -7.704
  395    HB3  ALA  48           HB3      ALA  48  -8.608   5.701  -8.593
  396    H    ILE  49           HN       ILE  49  -9.381   9.079  -6.559
  397    HA   ILE  49           HA       ILE  49 -11.102   8.709  -4.214
  398    HB   ILE  49           HB       ILE  49 -10.208  11.293  -5.487
  399   HG12  ILE  49          HG12      ILE  49  -8.255  10.091  -4.686
  400   HG13  ILE  49          HG11      ILE  49  -8.594  11.441  -3.613
  401   HG21  ILE  49          HG21      ILE  49 -10.881  12.290  -3.345
  402   HG22  ILE  49          HG22      ILE  49 -11.449  10.713  -2.801
  403   HG23  ILE  49          HG23      ILE  49 -12.233  11.510  -4.164
  404   HD11  ILE  49          HD11      ILE  49  -9.672   9.876  -2.042
  405   HD12  ILE  49          HD12      ILE  49  -7.970   9.512  -2.328
  406   HD13  ILE  49          HD13      ILE  49  -9.220   8.545  -3.108
  407    H    GLN  50           HN       GLN  50 -13.177   8.325  -4.647
  408    HA   GLN  50           HA       GLN  50 -14.469   9.891  -6.770
  409    HB2  GLN  50           HB2      GLN  50 -13.933   7.467  -7.425
  410    HB3  GLN  50           HB1      GLN  50 -15.127   6.998  -6.227
  411    HG2  GLN  50           HG2      GLN  50 -16.832   8.271  -7.444
  412    HG3  GLN  50           HG1      GLN  50 -15.629   8.700  -8.657
  413   HE21  GLN  50          HE21      GLN  50 -14.873   7.111 -10.066
  414   HE22  GLN  50          HE22      GLN  50 -15.720   5.622 -10.299
  415    H    GLU  51           HN       GLU  51 -16.974   9.621  -6.480
  416    HA   GLU  51           HA       GLU  51 -17.686   9.140  -3.693
  417    HB2  GLU  51           HB2      GLU  51 -19.212  11.120  -3.755
  418    HB3  GLU  51           HB1      GLU  51 -17.502  11.513  -3.740
  419    HG2  GLU  51           HG2      GLU  51 -17.562  11.940  -6.131
  420    HG3  GLU  51           HG1      GLU  51 -19.274  11.520  -6.168
  421    H    LYS  52           HN       LYS  52 -19.703   8.310  -3.375
  422    HA   LYS  52           HA       LYS  52 -21.266   7.650  -5.777
  423    HB2  LYS  52           HB2      LYS  52 -20.344   5.797  -3.582
  424    HB3  LYS  52           HB1      LYS  52 -21.678   5.394  -4.650
  425    HG2  LYS  52           HG2      LYS  52 -18.895   6.030  -5.603
  426    HG3  LYS  52           HG1      LYS  52 -19.480   4.398  -5.278
  427    HD2  LYS  52           HD2      LYS  52 -20.662   6.321  -7.283
  428    HD3  LYS  52           HD1      LYS  52 -19.598   4.966  -7.664
  429    HE2  LYS  52           HE2      LYS  52 -21.286   3.447  -6.627
  430    HE3  LYS  52           HE1      LYS  52 -22.362   4.834  -6.465
  431    HZ1  LYS  52           HZ1      LYS  52 -22.896   3.622  -8.446
  432    HZ2  LYS  52           HZ2      LYS  52 -21.298   3.702  -8.996
  433    HZ3  LYS  52           HZ3      LYS  52 -22.232   5.113  -8.892
  434    H    THR  53           HN       THR  53 -23.414   7.916  -5.552
  435    HA   THR  53           HA       THR  53 -24.396   8.672  -2.908
  436    HB   THR  53           HB       THR  53 -26.491   9.313  -4.276
  437    HG1  THR  53           HG1      THR  53 -25.420   8.154  -6.193
  438   HG21  THR  53          HG21      THR  53 -25.010  10.961  -3.288
  439   HG22  THR  53          HG22      THR  53 -25.487  11.477  -4.905
  440   HG23  THR  53          HG23      THR  53 -23.886  10.792  -4.636
  441    H    PHE  54           HN       PHE  54 -25.125   7.058  -1.746
  442    HA   PHE  54           HA       PHE  54 -26.306   4.719  -2.970
  443    HB2  PHE  54           HB2      PHE  54 -25.817   5.466  -0.081
  444    HB3  PHE  54           HB1      PHE  54 -26.494   3.926  -0.599
  445    HD1  PHE  54           HD1      PHE  54 -25.086   2.432  -2.077
  446    HD2  PHE  54           HD2      PHE  54 -23.501   5.822  -0.045
  447    HE1  PHE  54           HE1      PHE  54 -22.812   1.527  -2.342
  448    HE2  PHE  54           HE2      PHE  54 -21.229   4.915  -0.301
  449    HZ   PHE  54           HZ       PHE  54 -20.882   2.771  -1.455
  450    H    ARG  55           HN       ARG  55 -28.440   3.995  -2.567
  451    HA   ARG  55           HA       ARG  55 -30.294   6.236  -2.092
  452    HB2  ARG  55           HB2      ARG  55 -30.291   5.514  -4.405
  453    HB3  ARG  55           HB1      ARG  55 -30.528   3.842  -3.924
  454    HG2  ARG  55           HG2      ARG  55 -32.747   4.444  -3.031
  455    HG3  ARG  55           HG1      ARG  55 -32.503   6.096  -3.608
  456    HD2  ARG  55           HD2      ARG  55 -32.322   5.305  -5.889
  457    HD3  ARG  55           HD1      ARG  55 -32.449   3.635  -5.348
  458    HE   ARG  55           HE       ARG  55 -34.666   5.501  -4.862
  459   HH11  ARG  55          HH11      ARG  55 -33.413   2.563  -6.308
  460   HH12  ARG  55          HH12      ARG  55 -34.963   2.064  -6.926
  461   HH21  ARG  55          HH21      ARG  55 -36.693   4.841  -5.666
  462   HH22  ARG  55          HH22      ARG  55 -36.829   3.360  -6.561
  463    H    ALA  56           HN       ALA  56 -31.729   6.034  -0.495
  464    HA   ALA  56           HA       ALA  56 -31.746   3.894   1.307
  465    HB1  ALA  56           HB1      ALA  56 -33.892   5.960   0.823
  466    HB2  ALA  56           HB2      ALA  56 -32.513   6.126   1.912
  467    HB3  ALA  56           HB3      ALA  56 -33.761   4.925   2.245
  468    H    GLY  57           HN       GLY  57 -32.664   1.957   1.251
  469    HA2  GLY  57           HA2      GLY  57 -34.610   0.571   0.833
  470    HA3  GLY  57           HA1      GLY  57 -34.894   1.509  -0.627
  471    H    GLU  58           HN       GLU  58 -31.816   1.381  -0.959
  472    HA   GLU  58           HA       GLU  58 -31.722  -1.369  -2.011
  473    HB2  GLU  58           HB2      GLU  58 -30.458   1.131  -3.149
  474    HB3  GLU  58           HB1      GLU  58 -30.159  -0.495  -3.747
  475    HG2  GLU  58           HG2      GLU  58 -32.581  -0.696  -4.247
  476    HG3  GLU  58           HG1      GLU  58 -32.774   0.992  -3.778
  477    H    LYS  59           HN       LYS  59 -30.638  -2.398  -0.436
  478    HA   LYS  59           HA       LYS  59 -28.425  -1.222   0.957
  479    HB2  LYS  59           HB2      LYS  59 -28.247  -3.406   2.067
  480    HB3  LYS  59           HB1      LYS  59 -29.893  -2.798   2.089
  481    HG2  LYS  59           HG2      LYS  59 -30.374  -4.278   0.127
  482    HG3  LYS  59           HG1      LYS  59 -28.773  -4.985   0.355
  483    HD2  LYS  59           HD2      LYS  59 -29.416  -5.564   2.681
  484    HD3  LYS  59           HD1      LYS  59 -31.037  -4.959   2.349
  485    HE2  LYS  59           HE2      LYS  59 -29.679  -7.237   0.912
  486    HE3  LYS  59           HE1      LYS  59 -30.913  -7.399   2.159
  487    HZ1  LYS  59           HZ1      LYS  59 -31.955  -7.628   0.055
  488    HZ2  LYS  59           HZ2      LYS  59 -31.239  -6.220  -0.544
  489    HZ3  LYS  59           HZ3      LYS  59 -32.414  -6.120   0.667
  490    H    VAL  60           HN       VAL  60 -26.257  -2.040   0.975
  491    HA   VAL  60           HA       VAL  60 -25.476  -3.194  -1.624
  492    HB   VAL  60           HB       VAL  60 -23.356  -1.864  -1.411
  493   HG11  VAL  60          HG11      VAL  60 -25.941  -0.322  -1.598
  494   HG12  VAL  60          HG12      VAL  60 -25.136  -1.177  -2.914
  495   HG13  VAL  60          HG13      VAL  60 -24.375   0.235  -2.182
  496   HG21  VAL  60          HG21      VAL  60 -23.442  -1.394   0.980
  497   HG22  VAL  60          HG22      VAL  60 -24.906  -0.438   0.753
  498   HG23  VAL  60          HG23      VAL  60 -23.381   0.107   0.056
  499    H    GLU  61           HN       GLU  61 -23.316  -4.209  -1.621
  500    HA   GLU  61           HA       GLU  61 -23.171  -6.070   0.588
  501    HB2  GLU  61           HB2      GLU  61 -23.036  -6.844  -1.754
  502    HB3  GLU  61           HB1      GLU  61 -21.570  -5.903  -1.975
  503    HG2  GLU  61           HG2      GLU  61 -20.496  -7.282  -0.205
  504    HG3  GLU  61           HG1      GLU  61 -21.943  -8.288  -0.182
  505    HA   PRO  62           HA       PRO  62 -19.731  -3.896   2.458
  506    HB2  PRO  62           HB2      PRO  62 -19.252  -5.619   4.453
  507    HB3  PRO  62           HB1      PRO  62 -20.682  -4.582   4.452
  508    HG2  PRO  62           HG2      PRO  62 -20.435  -7.467   3.709
  509    HG3  PRO  62           HG1      PRO  62 -21.697  -6.660   4.653
  510    HD2  PRO  62           HD2      PRO  62 -21.947  -7.301   2.000
  511    HD3  PRO  62           HD1      PRO  62 -22.821  -5.970   2.783
  512    H    ALA  63           HN       ALA  63 -17.505  -4.094   2.580
  513    HA   ALA  63           HA       ALA  63 -16.373  -6.497   1.309
  514    HB1  ALA  63           HB1      ALA  63 -15.456  -3.634   1.051
  515    HB2  ALA  63           HB2      ALA  63 -16.249  -4.598  -0.195
  516    HB3  ALA  63           HB3      ALA  63 -14.632  -5.035   0.362
  517    H    MET  64           HN       MET  64 -15.275  -7.643   2.774
  518    HA   MET  64           HA       MET  64 -14.016  -6.258   5.016
  519    HB2  MET  64           HB2      MET  64 -14.406  -9.204   4.466
  520    HB3  MET  64           HB1      MET  64 -13.603  -8.558   5.889
  521    HG2  MET  64           HG2      MET  64 -15.686  -7.382   6.488
  522    HG3  MET  64           HG1      MET  64 -16.476  -8.136   5.105
  523    HE1  MET  64           HE1      MET  64 -18.066 -10.041   8.129
  524    HE2  MET  64           HE2      MET  64 -18.380  -9.106   6.666
  525    HE3  MET  64           HE3      MET  64 -17.620  -8.336   8.059
  526    H    ILE  65           HN       ILE  65 -11.972  -5.672   4.904
  527    HA   ILE  65           HA       ILE  65 -10.302  -6.709   2.753
  528    HB   ILE  65           HB       ILE  65  -9.729  -4.505   4.744
  529   HG12  ILE  65          HG12      ILE  65 -11.629  -3.932   3.327
  530   HG13  ILE  65          HG11      ILE  65 -10.224  -2.972   2.876
  531   HG21  ILE  65          HG21      ILE  65  -8.310  -5.275   2.200
  532   HG22  ILE  65          HG22      ILE  65  -7.697  -5.467   3.842
  533   HG23  ILE  65          HG23      ILE  65  -7.956  -3.853   3.181
  534   HD11  ILE  65          HD11      ILE  65 -11.420  -3.706   0.912
  535   HD12  ILE  65          HD12      ILE  65 -11.274  -5.387   1.420
  536   HD13  ILE  65          HD13      ILE  65  -9.834  -4.472   0.975
  537    H    GLU  66           HN       GLU  66  -8.684  -8.103   3.024
  538    HA   GLU  66           HA       GLU  66  -8.217  -9.092   5.749
  539    HB2  GLU  66           HB2      GLU  66  -9.160 -10.662   4.087
  540    HB3  GLU  66           HB1      GLU  66  -7.749 -10.418   3.070
  541    HG2  GLU  66           HG2      GLU  66  -6.330 -11.436   4.735
  542    HG3  GLU  66           HG1      GLU  66  -7.699 -11.597   5.837
  543    H    ASN  67           HN       ASN  67  -6.359  -8.501   6.673
  544    HA   ASN  67           HA       ASN  67  -4.099  -7.758   4.948
  545    HB2  ASN  67           HB2      ASN  67  -4.696  -7.119   7.840
  546    HB3  ASN  67           HB1      ASN  67  -3.149  -6.770   7.077
  547   HD21  ASN  67          HD21      ASN  67  -5.172  -4.991   8.241
  548   HD22  ASN  67          HD22      ASN  67  -5.579  -3.870   6.990
  549    H    ARG  68           HN       ARG  68  -2.389  -9.053   4.798
  550    HA   ARG  68           HA       ARG  68  -1.996 -11.091   6.888
  551    HB2  ARG  68           HB2      ARG  68  -1.688 -11.416   3.908
  552    HB3  ARG  68           HB1      ARG  68  -1.166 -12.599   5.097
  553    HG2  ARG  68           HG2      ARG  68  -3.467 -12.888   5.838
  554    HG3  ARG  68           HG1      ARG  68  -4.000 -11.687   4.653
  555    HD2  ARG  68           HD2      ARG  68  -3.188 -13.073   2.842
  556    HD3  ARG  68           HD1      ARG  68  -2.551 -14.245   3.991
  557    HE   ARG  68           HE       ARG  68  -5.407 -13.731   3.467
  558   HH11  ARG  68          HH11      ARG  68  -2.871 -15.704   4.877
  559   HH12  ARG  68          HH12      ARG  68  -3.876 -17.127   4.982
  560   HH21  ARG  68          HH21      ARG  68  -6.715 -15.582   3.635
  561   HH22  ARG  68          HH22      ARG  68  -6.059 -17.046   4.298
  562    H    ARG  69           HN       ARG  69  -0.131 -10.641   7.919
  563    HA   ARG  69           HA       ARG  69   2.025  -9.353   6.476
  564    HB2  ARG  69           HB2      ARG  69   3.218  -9.368   8.639
  565    HB3  ARG  69           HB1      ARG  69   1.646  -8.591   8.734
  566    HG2  ARG  69           HG2      ARG  69   0.737 -10.703   9.693
  567    HG3  ARG  69           HG1      ARG  69   2.385 -11.335   9.727
  568    HD2  ARG  69           HD2      ARG  69   1.384  -8.877  11.157
  569    HD3  ARG  69           HD1      ARG  69   1.760 -10.430  11.899
  570    HE   ARG  69           HE       ARG  69   4.111 -10.014  11.093
  571   HH11  ARG  69          HH11      ARG  69   1.908  -7.360  11.750
  572   HH12  ARG  69          HH12      ARG  69   3.172  -6.249  12.163
  573   HH21  ARG  69          HH21      ARG  69   5.771  -8.562  11.679
  574   HH22  ARG  69          HH22      ARG  69   5.366  -6.931  12.133
  575    H    MET  70           HN       MET  70   3.485 -10.410   5.381
  576    HA   MET  70           HA       MET  70   3.885 -13.255   5.998
  577    HB2  MET  70           HB2      MET  70   4.060 -12.034   3.248
  578    HB3  MET  70           HB1      MET  70   4.065 -13.740   3.668
  579    HG2  MET  70           HG2      MET  70   1.723 -13.371   4.569
  580    HG3  MET  70           HG1      MET  70   1.772 -11.811   3.755
  581    HE1  MET  70           HE1      MET  70  -0.559 -13.819   1.388
  582    HE2  MET  70           HE2      MET  70  -0.335 -12.328   2.301
  583    HE3  MET  70           HE3      MET  70  -0.501 -13.863   3.151
  584    H    GLN  71           HN       GLN  71   5.934 -14.056   5.923
  585    HA   GLN  71           HA       GLN  71   8.093 -12.175   6.091
  586    HB2  GLN  71           HB2      GLN  71   7.999 -14.204   7.490
  587    HB3  GLN  71           HB1      GLN  71   8.166 -15.189   6.046
  588    HG2  GLN  71           HG2      GLN  71  10.355 -14.119   5.622
  589    HG3  GLN  71           HG1      GLN  71  10.193 -13.274   7.162
  590   HE21  GLN  71          HE21      GLN  71  10.379 -14.441   9.081
  591   HE22  GLN  71          HE22      GLN  71  11.035 -16.042   9.126
  592    H    TYR  72           HN       TYR  72   9.556 -11.665   4.581
  593    HA   TYR  72           HA       TYR  72   8.852 -12.175   1.867
  594    HB2  TYR  72           HB2      TYR  72   9.943 -10.050   2.953
  595    HB3  TYR  72           HB1      TYR  72  11.454 -10.904   2.664
  596    HD1  TYR  72           HD1      TYR  72  11.786 -11.791   0.205
  597    HD2  TYR  72           HD2      TYR  72   9.083  -8.697   1.299
  598    HE1  TYR  72           HE1      TYR  72  11.773 -10.990  -2.120
  599    HE2  TYR  72           HE2      TYR  72   9.059  -7.887  -1.023
  600    HH   TYR  72           HH       TYR  72  10.435  -7.980  -3.024
  601    H    LEU  73           HN       LEU  73   9.179 -14.181   1.161
  602    HA   LEU  73           HA       LEU  73  11.851 -15.361   1.376
  603    HB2  LEU  73           HB2      LEU  73   9.277 -16.507   0.276
  604    HB3  LEU  73           HB1      LEU  73  10.798 -17.370   0.375
  605    HG   LEU  73           HG       LEU  73   9.072 -16.440   2.671
  606   HD11  LEU  73          HD11      LEU  73   8.299 -18.462   1.578
  607   HD12  LEU  73          HD12      LEU  73   8.938 -18.827   3.181
  608   HD13  LEU  73          HD13      LEU  73   9.898 -19.184   1.745
  609   HD21  LEU  73          HD21      LEU  73  11.778 -17.772   2.790
  610   HD22  LEU  73          HD22      LEU  73  10.718 -17.452   4.161
  611   HD23  LEU  73          HD23      LEU  73  11.416 -16.110   3.257
  612    H    TYR  74           HN       TYR  74  12.077 -16.692  -1.022
  613    HA   TYR  74           HA       TYR  74  11.875 -14.578  -3.016
  614    HB2  TYR  74           HB2      TYR  74  14.331 -14.754  -3.496
  615    HB3  TYR  74           HB1      TYR  74  13.928 -13.995  -1.962
  616    HD1  TYR  74           HD1      TYR  74  14.591 -14.975   0.114
  617    HD2  TYR  74           HD2      TYR  74  15.285 -17.038  -3.539
  618    HE1  TYR  74           HE1      TYR  74  16.072 -16.540   1.287
  619    HE2  TYR  74           HE2      TYR  74  16.770 -18.615  -2.374
  620    HH   TYR  74           HH       TYR  74  18.103 -18.753  -0.378
  621    H    ALA  75           HN       ALA  75  12.185 -15.166  -5.097
  622    HA   ALA  75           HA       ALA  75  12.818 -17.893  -5.826
  623    HB1  ALA  75           HB1      ALA  75  10.144 -16.705  -6.570
  624    HB2  ALA  75           HB2      ALA  75  10.385 -17.932  -5.328
  625    HB3  ALA  75           HB3      ALA  75  10.752 -18.302  -7.009
  626    H    ASP  76           HN       ASP  76  11.680 -17.498  -8.517
  627    HA   ASP  76           HA       ASP  76  13.737 -15.770  -9.588
  628    HB2  ASP  76           HB2      ASP  76  12.921 -16.478 -11.773
  629    HB3  ASP  76           HB1      ASP  76  13.106 -17.883 -10.729
  630    H    GLY  77           HN       GLY  77  13.229 -13.855 -10.959
  631    HA2  GLY  77           HA2      GLY  77  11.109 -12.422  -9.606
  632    HA3  GLY  77           HA1      GLY  77  12.253 -11.741 -10.754
  633    H    ASP  78           HN       ASP  78   9.748 -14.241 -10.858
  634    HA   ASP  78           HA       ASP  78   8.130 -12.360 -12.429
  635    HB2  ASP  78           HB2      ASP  78   8.491 -15.308 -12.827
  636    HB3  ASP  78           HB1      ASP  78   6.915 -14.588 -13.157
  637    H    ASN  79           HN       ASN  79   8.497 -14.745  -9.971
  638    HA   ASN  79           HA       ASN  79   6.114 -13.778  -8.590
  639    HB2  ASN  79           HB2      ASN  79   6.738 -16.650  -9.259
  640    HB3  ASN  79           HB1      ASN  79   5.735 -16.232  -7.870
  641   HD21  ASN  79          HD21      ASN  79   5.117 -17.715 -10.315
  642   HD22  ASN  79          HD22      ASN  79   3.772 -16.902 -11.036
  643    H    HIS  80           HN       HIS  80   6.568 -13.364  -6.484
  644    HA   HIS  80           HA       HIS  80   9.008 -14.601  -5.368
  645    HB2  HIS  80           HB2      HIS  80   7.716 -11.946  -4.772
  646    HB3  HIS  80           HB1      HIS  80   8.837 -12.696  -3.648
  647    HD1  HIS  80           HD1      HIS  80  10.151 -10.362  -4.195
  648    HD2  HIS  80           HD2      HIS  80  10.062 -13.244  -7.197
  649    HE1  HIS  80           HE1      HIS  80  11.977  -9.732  -5.795
  650    HE2  HIS  80           HE2      HIS  80  12.038 -11.598  -7.479
  651    H    VAL  81           HN       VAL  81   8.916 -15.602  -3.389
  652    HA   VAL  81           HA       VAL  81   6.266 -16.523  -2.670
  653    HB   VAL  81           HB       VAL  81   8.939 -17.372  -1.544
  654   HG11  VAL  81          HG11      VAL  81   6.236 -18.717  -1.442
  655   HG12  VAL  81          HG12      VAL  81   7.032 -17.900  -0.096
  656   HG13  VAL  81          HG13      VAL  81   7.743 -19.360  -0.787
  657   HG21  VAL  81          HG21      VAL  81   8.732 -19.306  -3.056
  658   HG22  VAL  81          HG22      VAL  81   8.852 -17.782  -3.938
  659   HG23  VAL  81          HG23      VAL  81   7.290 -18.580  -3.764
  660    H    PHE  82           HN       PHE  82   5.146 -15.832  -0.945
  661    HA   PHE  82           HA       PHE  82   6.611 -14.504   1.234
  662    HB2  PHE  82           HB2      PHE  82   3.893 -13.823   0.087
  663    HB3  PHE  82           HB1      PHE  82   4.485 -13.190   1.618
  664    HD1  PHE  82           HD1      PHE  82   5.065 -13.216  -2.031
  665    HD2  PHE  82           HD2      PHE  82   6.019 -11.405   1.702
  666    HE1  PHE  82           HE1      PHE  82   6.202 -11.389  -3.213
  667    HE2  PHE  82           HE2      PHE  82   7.150  -9.573   0.519
  668    HZ   PHE  82           HZ       PHE  82   7.246  -9.564  -1.938
  669    H    MET  83           HN       MET  83   6.319 -15.394   3.190
  670    HA   MET  83           HA       MET  83   4.490 -17.669   3.326
  671    HB2  MET  83           HB2      MET  83   6.813 -18.064   3.994
  672    HB3  MET  83           HB1      MET  83   6.684 -16.809   5.216
  673    HG2  MET  83           HG2      MET  83   4.959 -18.117   6.363
  674    HG3  MET  83           HG1      MET  83   5.139 -19.387   5.155
  675    HE1  MET  83           HE1      MET  83   5.348 -19.992   8.247
  676    HE2  MET  83           HE2      MET  83   6.754 -21.056   8.270
  677    HE3  MET  83           HE3      MET  83   5.560 -21.202   6.982
  678    H    ASP  84           HN       ASP  84   2.524 -17.237   4.001
  679    HA   ASP  84           HA       ASP  84   1.688 -15.014   5.466
  680    HB2  ASP  84           HB2      ASP  84   0.154 -16.400   4.166
  681    HB3  ASP  84           HB1      ASP  84   0.441 -17.754   5.245
  682    H    ASN  85           HN       ASN  85   2.378 -14.484   7.427
  683    HA   ASN  85           HA       ASN  85   3.309 -16.506   9.252
  684    HB2  ASN  85           HB2      ASN  85   3.157 -13.501   9.453
  685    HB3  ASN  85           HB1      ASN  85   3.727 -14.519  10.775
  686   HD21  ASN  85          HD21      ASN  85   5.200 -12.500   9.359
  687   HD22  ASN  85          HD22      ASN  85   6.549 -13.297   8.625
  688    H    GLU  86           HN       GLU  86   0.310 -15.284   8.522
  689    HA   GLU  86           HA       GLU  86  -0.837 -15.335  11.128
  690    HB2  GLU  86           HB2      GLU  86  -1.912 -14.210   9.174
  691    HB3  GLU  86           HB1      GLU  86  -2.209 -15.790   8.467
  692    HG2  GLU  86           HG2      GLU  86  -3.736 -16.376  10.160
  693    HG3  GLU  86           HG1      GLU  86  -3.240 -15.024  11.175
  694    H    SER  87           HN       SER  87  -0.875 -17.704   8.414
  695    HA   SER  87           HA       SER  87   0.188 -19.678  10.122
  696    HB2  SER  87           HB2      SER  87  -1.828 -21.284   9.854
  697    HB3  SER  87           HB1      SER  87  -1.884 -20.055  11.117
  698    HG   SER  87           HG       SER  87  -2.847 -19.026   8.845
  699    H    PHE  88           HN       PHE  88   1.636 -19.715   8.369
  700    HA   PHE  88           HA       PHE  88   2.677 -20.985   6.829
  701    HB2  PHE  88           HB2      PHE  88   0.555 -22.967   7.639
  702    HB3  PHE  88           HB1      PHE  88   2.078 -23.362   6.834
  703    HD1  PHE  88           HD1      PHE  88   0.455 -22.599   9.965
  704    HD2  PHE  88           HD2      PHE  88   4.226 -22.979   8.032
  705    HE1  PHE  88           HE1      PHE  88   1.558 -22.744  12.158
  706    HE2  PHE  88           HE2      PHE  88   5.336 -23.127  10.221
  707    HZ   PHE  88           HZ       PHE  88   4.002 -23.009  12.288
  708    H    GLU  89           HN       GLU  89   0.429 -19.368   5.635
  709    HA   GLU  89           HA       GLU  89  -0.169 -21.100   3.355
  710    HB2  GLU  89           HB2      GLU  89  -1.248 -18.379   4.073
  711    HB3  GLU  89           HB1      GLU  89  -1.661 -19.258   2.608
  712    HG2  GLU  89           HG2      GLU  89  -2.526 -21.102   4.021
  713    HG3  GLU  89           HG1      GLU  89  -2.230 -20.091   5.435
  714    H    GLN  90           HN       GLN  90   1.495 -21.168   1.957
  715    HA   GLN  90           HA       GLN  90   3.190 -18.948   1.447
  716    HB2  GLN  90           HB2      GLN  90   4.082 -20.296  -0.411
  717    HB3  GLN  90           HB1      GLN  90   3.996 -21.211   1.085
  718    HG2  GLN  90           HG2      GLN  90   1.928 -22.272   0.294
  719    HG3  GLN  90           HG1      GLN  90   2.074 -21.386  -1.222
  720   HE21  GLN  90          HE21      GLN  90   3.643 -21.975  -2.696
  721   HE22  GLN  90          HE22      GLN  90   4.512 -23.466  -2.585
  722    H    THR  91           HN       THR  91   2.871 -17.256   0.188
  723    HA   THR  91           HA       THR  91   0.815 -17.398  -1.904
  724    HB   THR  91           HB       THR  91   1.340 -15.056  -0.069
  725    HG1  THR  91           HG1      THR  91   0.234 -16.614   1.079
  726   HG21  THR  91          HG21      THR  91  -0.672 -14.088  -1.095
  727   HG22  THR  91          HG22      THR  91  -0.784 -15.472  -2.182
  728   HG23  THR  91          HG23      THR  91   0.587 -14.369  -2.297
  729    H    GLU  92           HN       GLU  92   1.561 -16.822  -3.856
  730    HA   GLU  92           HA       GLU  92   4.193 -15.531  -3.973
  731    HB2  GLU  92           HB2      GLU  92   2.743 -17.201  -6.027
  732    HB3  GLU  92           HB1      GLU  92   4.338 -16.490  -6.240
  733    HG2  GLU  92           HG2      GLU  92   5.290 -17.873  -4.590
  734    HG3  GLU  92           HG1      GLU  92   3.709 -18.376  -3.994
  735    H    LEU  93           HN       LEU  93   4.456 -13.609  -4.885
  736    HA   LEU  93           HA       LEU  93   2.074 -12.275  -5.951
  737    HB2  LEU  93           HB2      LEU  93   4.655 -11.238  -4.809
  738    HB3  LEU  93           HB1      LEU  93   3.518 -10.197  -5.638
  739    HG   LEU  93           HG       LEU  93   3.040 -11.721  -3.077
  740   HD11  LEU  93          HD11      LEU  93   4.415  -9.765  -2.774
  741   HD12  LEU  93          HD12      LEU  93   2.800  -9.455  -2.133
  742   HD13  LEU  93          HD13      LEU  93   3.276  -8.783  -3.693
  743   HD21  LEU  93          HD21      LEU  93   0.877 -10.445  -3.055
  744   HD22  LEU  93          HD22      LEU  93   0.970 -11.738  -4.246
  745   HD23  LEU  93          HD23      LEU  93   1.167 -10.059  -4.753
  746    H    SER  94           HN       SER  94   2.149 -11.081  -7.864
  747    HA   SER  94           HA       SER  94   3.805 -12.412  -9.840
  748    HB2  SER  94           HB2      SER  94   1.292 -12.134 -10.050
  749    HB3  SER  94           HB1      SER  94   1.598 -10.425 -10.360
  750    HG   SER  94           HG       SER  94   1.466 -11.546 -12.311
  751    H    SER  95           HN       SER  95   4.510 -11.036 -11.770
  752    HA   SER  95           HA       SER  95   6.713  -9.624 -10.934
  753    HB2  SER  95           HB2      SER  95   6.442 -10.658 -13.166
  754    HB3  SER  95           HB1      SER  95   5.352  -9.350 -13.617
  755    HG   SER  95           HG       SER  95   7.671  -9.174 -14.222
  756    H    ASP  96           HN       ASP  96   3.596  -8.285 -11.986
  757    HA   ASP  96           HA       ASP  96   4.288  -5.600 -12.129
  758    HB2  ASP  96           HB2      ASP  96   1.702  -6.982 -11.512
  759    HB3  ASP  96           HB1      ASP  96   1.809  -5.226 -11.422
  760    H    TYR  97           HN       TYR  97   3.154  -7.408  -9.297
  761    HA   TYR  97           HA       TYR  97   3.269  -5.136  -7.576
  762    HB2  TYR  97           HB2      TYR  97   3.114  -8.100  -6.999
  763    HB3  TYR  97           HB1      TYR  97   3.079  -6.863  -5.747
  764    HD1  TYR  97           HD1      TYR  97   1.122  -5.499  -5.400
  765    HD2  TYR  97           HD2      TYR  97   1.227  -8.356  -8.551
  766    HE1  TYR  97           HE1      TYR  97  -1.306  -5.261  -5.688
  767    HE2  TYR  97           HE2      TYR  97  -1.204  -8.128  -8.844
  768    HH   TYR  97           HH       TYR  97  -3.002  -5.613  -7.382
  769    H    LEU  98           HN       LEU  98   5.396  -7.790  -8.402
  770    HA   LEU  98           HA       LEU  98   7.346  -7.423  -6.426
  771    HB2  LEU  98           HB2      LEU  98   7.778  -8.397  -9.240
  772    HB3  LEU  98           HB1      LEU  98   8.834  -8.679  -7.871
  773    HG   LEU  98           HG       LEU  98   6.072  -9.807  -8.290
  774   HD11  LEU  98          HD11      LEU  98   7.260 -11.946  -8.307
  775   HD12  LEU  98          HD12      LEU  98   8.794 -11.088  -8.167
  776   HD13  LEU  98          HD13      LEU  98   7.797 -10.883  -9.606
  777   HD21  LEU  98          HD21      LEU  98   6.516 -11.054  -6.196
  778   HD22  LEU  98          HD22      LEU  98   6.313  -9.320  -5.954
  779   HD23  LEU  98          HD23      LEU  98   7.927 -10.032  -5.926
  780    H    LYS  99           HN       LYS  99   6.730  -5.758  -9.403
  781    HA   LYS  99           HA       LYS  99   9.193  -4.540  -9.828
  782    HB2  LYS  99           HB2      LYS  99   7.353  -4.459 -11.431
  783    HB3  LYS  99           HB1      LYS  99   6.424  -3.444 -10.340
  784    HG2  LYS  99           HG2      LYS  99   7.949  -1.631 -10.608
  785    HG3  LYS  99           HG1      LYS  99   9.082  -2.648 -11.499
  786    HD2  LYS  99           HD2      LYS  99   7.913  -1.300 -13.084
  787    HD3  LYS  99           HD1      LYS  99   7.323  -2.952 -13.242
  788    HE2  LYS  99           HE2      LYS  99   5.439  -1.491 -13.343
  789    HE3  LYS  99           HE1      LYS  99   5.393  -2.324 -11.791
  790    HZ1  LYS  99           HZ1      LYS  99   6.471   0.412 -12.183
  791    HZ2  LYS  99           HZ2      LYS  99   6.231  -0.377 -10.701
  792    HZ3  LYS  99           HZ3      LYS  99   4.904   0.075 -11.652
  793    H    GLU 100           HN       GLU 100   6.495  -3.553  -7.787
  794    HA   GLU 100           HA       GLU 100   7.814  -1.131  -6.955
  795    HB2  GLU 100           HB2      GLU 100   5.308  -2.456  -5.906
  796    HB3  GLU 100           HB1      GLU 100   5.858  -0.836  -5.496
  797    HG2  GLU 100           HG2      GLU 100   4.976  -1.820  -8.198
  798    HG3  GLU 100           HG1      GLU 100   4.132  -0.681  -7.149
  799    H    GLU 101           HN       GLU 101   7.023  -4.266  -5.502
  800    HA   GLU 101           HA       GLU 101   8.183  -3.756  -3.000
  801    HB2  GLU 101           HB2      GLU 101   7.566  -6.280  -4.496
  802    HB3  GLU 101           HB1      GLU 101   8.450  -6.346  -2.982
  803    HG2  GLU 101           HG2      GLU 101   6.139  -6.738  -2.537
  804    HG3  GLU 101           HG1      GLU 101   6.580  -5.169  -1.879
  805    H    LEU 102           HN       LEU 102   9.622  -4.619  -6.058
  806    HA   LEU 102           HA       LEU 102  12.164  -5.328  -4.962
  807    HB2  LEU 102           HB2      LEU 102  11.157  -4.755  -7.717
  808    HB3  LEU 102           HB1      LEU 102  12.885  -4.817  -7.423
  809    HG   LEU 102           HG       LEU 102  10.973  -7.073  -6.806
  810   HD11  LEU 102          HD11      LEU 102  12.867  -6.737  -9.128
  811   HD12  LEU 102          HD12      LEU 102  11.107  -6.659  -9.212
  812   HD13  LEU 102          HD13      LEU 102  11.904  -8.171  -8.771
  813   HD21  LEU 102          HD21      LEU 102  13.106  -8.373  -6.681
  814   HD22  LEU 102          HD22      LEU 102  12.899  -7.184  -5.398
  815   HD23  LEU 102          HD23      LEU 102  13.976  -6.842  -6.751
  816    H    ASN 103           HN       ASN 103  10.572  -2.375  -5.474
  817    HA   ASN 103           HA       ASN 103  12.940  -0.791  -5.772
  818    HB2  ASN 103           HB2      ASN 103  10.103  -0.074  -5.021
  819    HB3  ASN 103           HB1      ASN 103  11.401   1.115  -5.066
  820   HD21  ASN 103          HD21      ASN 103   8.998   1.027  -6.646
  821   HD22  ASN 103          HD22      ASN 103   9.497   0.948  -8.299
  822    H    TYR 104           HN       TYR 104  10.805  -1.738  -3.118
  823    HA   TYR 104           HA       TYR 104  13.028  -1.193  -1.273
  824    HB2  TYR 104           HB2      TYR 104  10.164  -0.478  -0.622
  825    HB3  TYR 104           HB1      TYR 104  11.590  -0.144   0.345
  826    HD1  TYR 104           HD1      TYR 104  13.239   1.589  -0.486
  827    HD2  TYR 104           HD2      TYR 104   9.420   1.021  -2.272
  828    HE1  TYR 104           HE1      TYR 104  13.392   3.817  -1.515
  829    HE2  TYR 104           HE2      TYR 104   9.565   3.244  -3.306
  830    HH   TYR 104           HH       TYR 104  12.454   5.059  -3.383
  831    H    LEU 105           HN       LEU 105  13.480  -3.110  -0.356
  832    HA   LEU 105           HA       LEU 105  11.567  -4.435   1.223
  833    HB2  LEU 105           HB2      LEU 105  11.225  -6.493   0.124
  834    HB3  LEU 105           HB1      LEU 105  10.873  -5.253  -1.051
  835    HG   LEU 105           HG       LEU 105  11.951  -6.951  -2.243
  836   HD11  LEU 105          HD11      LEU 105  14.097  -4.943  -1.642
  837   HD12  LEU 105          HD12      LEU 105  12.803  -4.765  -2.826
  838   HD13  LEU 105          HD13      LEU 105  14.032  -6.013  -3.042
  839   HD21  LEU 105          HD21      LEU 105  14.080  -7.067  -0.120
  840   HD22  LEU 105          HD22      LEU 105  14.076  -7.987  -1.624
  841   HD23  LEU 105          HD23      LEU 105  12.821  -8.266  -0.417
  842    H    LYS 106           HN       LYS 106  12.412  -6.163   2.437
  843    HA   LYS 106           HA       LYS 106  15.296  -6.652   2.174
  844    HB2  LYS 106           HB2      LYS 106  13.732  -6.252   4.730
  845    HB3  LYS 106           HB1      LYS 106  15.377  -6.862   4.664
  846    HG2  LYS 106           HG2      LYS 106  14.557  -4.175   3.590
  847    HG3  LYS 106           HG1      LYS 106  15.150  -4.435   5.231
  848    HD2  LYS 106           HD2      LYS 106  16.675  -5.172   2.737
  849    HD3  LYS 106           HD1      LYS 106  16.893  -3.665   3.626
  850    HE2  LYS 106           HE2      LYS 106  17.488  -4.969   5.631
  851    HE3  LYS 106           HE1      LYS 106  17.338  -6.451   4.690
  852    HZ1  LYS 106           HZ1      LYS 106  19.080  -5.555   3.194
  853    HZ2  LYS 106           HZ2      LYS 106  19.620  -5.839   4.775
  854    HZ3  LYS 106           HZ3      LYS 106  19.290  -4.261   4.266
  855    H    GLU 107           HN       GLU 107  15.879  -8.787   2.384
  856    HA   GLU 107           HA       GLU 107  13.782 -10.700   2.090
  857    HB2  GLU 107           HB2      GLU 107  16.762 -11.080   2.424
  858    HB3  GLU 107           HB1      GLU 107  15.628 -12.352   1.987
  859    HG2  GLU 107           HG2      GLU 107  15.075 -11.214  -0.066
  860    HG3  GLU 107           HG1      GLU 107  16.098  -9.851   0.379
  861    H    GLY 108           HN       GLY 108  12.817 -11.918   3.610
  862    HA2  GLY 108           HA2      GLY 108  12.608 -13.034   5.672
  863    HA3  GLY 108           HA1      GLY 108  14.058 -12.220   6.237
  864    H    MET 109           HN       MET 109  12.263  -9.903   4.814
  865    HA   MET 109           HA       MET 109  11.367  -8.870   7.367
  866    HB2  MET 109           HB2      MET 109  12.513  -7.318   5.988
  867    HB3  MET 109           HB1      MET 109  11.546  -7.741   4.583
  868    HG2  MET 109           HG2      MET 109   9.613  -6.670   5.530
  869    HG3  MET 109           HG1      MET 109  10.482  -6.348   7.029
  870    HE1  MET 109           HE1      MET 109  12.911  -3.534   6.166
  871    HE2  MET 109           HE2      MET 109  13.187  -5.248   6.469
  872    HE3  MET 109           HE3      MET 109  12.015  -4.359   7.440
  873    H    GLU 110           HN       GLU 110   9.260  -8.408   7.927
  874    HA   GLU 110           HA       GLU 110   7.207  -9.867   6.505
  875    HB2  GLU 110           HB2      GLU 110   7.116  -8.219   9.026
  876    HB3  GLU 110           HB1      GLU 110   5.738  -9.078   8.357
  877    HG2  GLU 110           HG2      GLU 110   7.001 -11.192   8.615
  878    HG3  GLU 110           HG1      GLU 110   8.276 -10.276   9.425
  879    H    VAL 111           HN       VAL 111   6.037  -8.996   4.946
  880    HA   VAL 111           HA       VAL 111   5.495  -6.103   5.058
  881    HB   VAL 111           HB       VAL 111   5.022  -6.159   2.681
  882   HG11  VAL 111          HG11      VAL 111   7.325  -5.754   3.352
  883   HG12  VAL 111          HG12      VAL 111   7.273  -6.639   1.827
  884   HG13  VAL 111          HG13      VAL 111   7.654  -7.487   3.325
  885   HG21  VAL 111          HG21      VAL 111   4.121  -8.418   2.514
  886   HG22  VAL 111          HG22      VAL 111   5.725  -9.092   2.807
  887   HG23  VAL 111          HG23      VAL 111   5.410  -8.172   1.335
  888    H    GLN 112           HN       GLN 112   3.293  -5.452   4.448
  889    HA   GLN 112           HA       GLN 112   1.401  -7.487   5.390
  890    HB2  GLN 112           HB2      GLN 112   1.210  -4.480   5.341
  891    HB3  GLN 112           HB1      GLN 112  -0.137  -5.532   5.760
  892    HG2  GLN 112           HG2      GLN 112   1.237  -6.473   7.596
  893    HG3  GLN 112           HG1      GLN 112   2.486  -5.288   7.216
  894   HE21  GLN 112          HE21      GLN 112   2.327  -4.367   9.266
  895   HE22  GLN 112          HE22      GLN 112   0.988  -3.366   9.714
  896    H    ILE 113           HN       ILE 113   0.796  -8.607   3.645
  897    HA   ILE 113           HA       ILE 113   0.181  -7.262   1.167
  898    HB   ILE 113           HB       ILE 113  -0.104 -10.175   1.916
  899   HG12  ILE 113          HG12      ILE 113   2.000  -8.693   0.322
  900   HG13  ILE 113          HG11      ILE 113   2.220  -9.425   1.907
  901   HG21  ILE 113          HG21      ILE 113  -0.317  -8.836  -0.781
  902   HG22  ILE 113          HG22      ILE 113  -1.648  -9.549   0.128
  903   HG23  ILE 113          HG23      ILE 113  -0.353 -10.575  -0.489
  904   HD11  ILE 113          HD11      ILE 113   3.190 -10.785   0.142
  905   HD12  ILE 113          HD12      ILE 113   1.614 -10.905  -0.641
  906   HD13  ILE 113          HD13      ILE 113   1.868 -11.630   0.946
  907    H    GLN 114           HN       GLN 114  -1.760  -6.634   0.537
  908    HA   GLN 114           HA       GLN 114  -3.957  -7.030   2.421
  909    HB2  GLN 114           HB2      GLN 114  -3.091  -4.724   1.832
  910    HB3  GLN 114           HB1      GLN 114  -3.716  -4.987   0.212
  911    HG2  GLN 114           HG2      GLN 114  -5.902  -4.841   0.885
  912    HG3  GLN 114           HG1      GLN 114  -5.532  -5.285   2.552
  913   HE21  GLN 114          HE21      GLN 114  -4.766  -3.739   3.962
  914   HE22  GLN 114          HE22      GLN 114  -4.847  -2.043   3.620
  915    H    THR 115           HN       THR 115  -5.318  -8.579   1.880
  916    HA   THR 115           HA       THR 115  -5.765  -9.142  -0.965
  917    HB   THR 115           HB       THR 115  -6.361 -11.469  -0.164
  918    HG1  THR 115           HG1      THR 115  -6.286 -11.856   1.925
  919   HG21  THR 115          HG21      THR 115  -4.223 -11.007  -1.222
  920   HG22  THR 115          HG22      THR 115  -4.007 -12.161   0.096
  921   HG23  THR 115          HG23      THR 115  -3.557 -10.468   0.320
  922    H    TYR 116           HN       TYR 116  -7.848  -9.779  -1.622
  923    HA   TYR 116           HA       TYR 116 -10.009  -9.494   0.337
  924    HB2  TYR 116           HB2      TYR 116  -9.945  -7.462  -1.072
  925    HB3  TYR 116           HB1      TYR 116 -10.063  -8.464  -2.514
  926    HD1  TYR 116           HD1      TYR 116 -11.882  -7.750   0.669
  927    HD2  TYR 116           HD2      TYR 116 -12.153  -8.874  -3.425
  928    HE1  TYR 116           HE1      TYR 116 -14.335  -7.640   0.807
  929    HE2  TYR 116           HE2      TYR 116 -14.604  -8.771  -3.296
  930    HH   TYR 116           HH       TYR 116 -16.256  -7.402  -0.607
  931    H    GLU 117           HN       GLU 117 -10.810 -11.485   0.531
  932    HA   GLU 117           HA       GLU 117 -11.468 -13.609   0.076
  933    HB2  GLU 117           HB2      GLU 117 -12.007 -12.349  -2.613
  934    HB3  GLU 117           HB1      GLU 117 -12.408 -14.024  -2.253
  935    HG2  GLU 117           HG2      GLU 117 -13.463 -11.615  -0.789
  936    HG3  GLU 117           HG1      GLU 117 -14.335 -12.553  -2.003
  937    H    GLY 118           HN       GLY 118  -8.676 -12.896  -0.197
  938    HA2  GLY 118           HA2      GLY 118  -6.850 -14.327  -0.534
  939    HA3  GLY 118           HA1      GLY 118  -7.830 -15.288  -1.629
  940    H    GLU 119           HN       GLU 119  -8.504 -12.442  -2.796
  941    HA   GLU 119           HA       GLU 119  -6.487 -12.639  -4.863
  942    HB2  GLU 119           HB2      GLU 119  -8.951 -12.330  -5.319
  943    HB3  GLU 119           HB1      GLU 119  -8.796 -10.699  -4.681
  944    HG2  GLU 119           HG2      GLU 119  -7.141 -10.198  -6.427
  945    HG3  GLU 119           HG1      GLU 119  -7.368 -11.817  -7.082
  946    H    THR 120           HN       THR 120  -4.742 -11.351  -5.001
  947    HA   THR 120           HA       THR 120  -4.113  -9.523  -2.929
  948    HB   THR 120           HB       THR 120  -2.752  -9.764  -5.618
  949    HG1  THR 120           HG1      THR 120  -2.584 -11.776  -4.803
  950   HG21  THR 120          HG21      THR 120  -1.740  -8.831  -2.926
  951   HG22  THR 120          HG22      THR 120  -2.095  -7.796  -4.309
  952   HG23  THR 120          HG23      THR 120  -0.779  -8.967  -4.398
  953    H    ILE 121           HN       ILE 121  -4.947  -7.544  -2.706
  954    HA   ILE 121           HA       ILE 121  -5.700  -6.072  -5.128
  955    HB   ILE 121           HB       ILE 121  -7.062  -4.645  -3.658
  956   HG12  ILE 121          HG12      ILE 121  -6.092  -6.538  -1.508
  957   HG13  ILE 121          HG11      ILE 121  -5.842  -4.798  -1.581
  958   HG21  ILE 121          HG21      ILE 121  -7.557  -7.611  -3.487
  959   HG22  ILE 121          HG22      ILE 121  -8.146  -6.490  -4.718
  960   HG23  ILE 121          HG23      ILE 121  -8.751  -6.384  -3.063
  961   HD11  ILE 121          HD11      ILE 121  -8.509  -6.144  -1.255
  962   HD12  ILE 121          HD12      ILE 121  -8.190  -4.411  -1.215
  963   HD13  ILE 121          HD13      ILE 121  -7.550  -5.456   0.052
  964    H    GLY 122           HN       GLY 122  -3.534  -6.056  -2.422
  965    HA2  GLY 122           HA2      GLY 122  -1.897  -4.095  -3.693
  966    HA3  GLY 122           HA1      GLY 122  -2.712  -3.425  -2.290
  967    H    VAL 123           HN       VAL 123   0.010  -3.533  -2.375
  968    HA   VAL 123           HA       VAL 123   0.552  -5.462  -0.223
  969    HB   VAL 123           HB       VAL 123   2.503  -4.787  -2.431
  970   HG11  VAL 123          HG11      VAL 123   3.928  -6.486  -1.365
  971   HG12  VAL 123          HG12      VAL 123   2.746  -6.642  -0.066
  972   HG13  VAL 123          HG13      VAL 123   3.608  -5.122  -0.294
  973   HG21  VAL 123          HG21      VAL 123   1.064  -7.374  -1.846
  974   HG22  VAL 123          HG22      VAL 123   2.287  -7.128  -3.092
  975   HG23  VAL 123          HG23      VAL 123   0.738  -6.294  -3.202
  976    H    GLU 124           HN       GLU 124   1.323  -4.517   1.554
  977    HA   GLU 124           HA       GLU 124   2.212  -1.729   1.317
  978    HB2  GLU 124           HB2      GLU 124   0.187  -2.121   2.669
  979    HB3  GLU 124           HB1      GLU 124   1.116  -3.179   3.724
  980    HG2  GLU 124           HG2      GLU 124   2.488  -1.342   4.444
  981    HG3  GLU 124           HG1      GLU 124   1.719  -0.263   3.281
  982    H    LEU 125           HN       LEU 125   4.345  -1.563   1.327
  983    HA   LEU 125           HA       LEU 125   6.041  -3.361   2.819
  984    HB2  LEU 125           HB2      LEU 125   6.659  -0.786   1.353
  985    HB3  LEU 125           HB1      LEU 125   7.865  -1.785   2.132
  986    HG   LEU 125           HG       LEU 125   7.986  -2.218  -0.191
  987   HD11  LEU 125          HD11      LEU 125   7.569  -4.578  -0.324
  988   HD12  LEU 125          HD12      LEU 125   6.440  -4.493   1.026
  989   HD13  LEU 125          HD13      LEU 125   8.154  -4.176   1.289
  990   HD21  LEU 125          HD21      LEU 125   5.832  -1.349  -0.876
  991   HD22  LEU 125          HD22      LEU 125   5.019  -2.732  -0.143
  992   HD23  LEU 125          HD23      LEU 125   6.084  -2.968  -1.529
  993    HA   PRO 126           HA       PRO 126   6.092  -1.229   6.724
  994    HB2  PRO 126           HB2      PRO 126   8.857  -1.188   7.117
  995    HB3  PRO 126           HB1      PRO 126   7.766  -2.484   7.614
  996    HG2  PRO 126           HG2      PRO 126   9.495  -2.281   5.194
  997    HG3  PRO 126           HG1      PRO 126   9.108  -3.700   6.183
  998    HD2  PRO 126           HD2      PRO 126   7.960  -3.322   3.800
  999    HD3  PRO 126           HD1      PRO 126   7.037  -3.998   5.162
 1000    H    LYS 127           HN       LYS 127   6.205   0.839   7.368
 1001    HA   LYS 127           HA       LYS 127   6.493   2.784   5.371
 1002    HB2  LYS 127           HB2      LYS 127   6.302   3.159   8.362
 1003    HB3  LYS 127           HB1      LYS 127   6.084   4.425   7.163
 1004    HG2  LYS 127           HG2      LYS 127   4.348   2.003   7.577
 1005    HG3  LYS 127           HG1      LYS 127   3.933   3.686   7.901
 1006    HD2  LYS 127           HD2      LYS 127   4.277   4.136   5.450
 1007    HD3  LYS 127           HD1      LYS 127   4.418   2.392   5.223
 1008    HE2  LYS 127           HE2      LYS 127   2.173   2.955   4.728
 1009    HE3  LYS 127           HE1      LYS 127   2.158   2.181   6.312
 1010    HZ1  LYS 127           HZ1      LYS 127   2.132   4.418   7.311
 1011    HZ2  LYS 127           HZ2      LYS 127   0.771   4.112   6.357
 1012    HZ3  LYS 127           HZ3      LYS 127   2.011   5.093   5.762
 1013    H    THR 128           HN       THR 128   8.742   1.640   7.790
 1014    HA   THR 128           HA       THR 128  10.721   3.430   6.560
 1015    HB   THR 128           HB       THR 128  11.991   3.266   8.750
 1016    HG1  THR 128           HG1      THR 128  10.908   2.555  10.545
 1017   HG21  THR 128          HG21      THR 128   9.299   4.634   8.777
 1018   HG22  THR 128          HG22      THR 128  10.792   5.295   8.111
 1019   HG23  THR 128          HG23      THR 128  10.647   5.015   9.847
 1020    H    VAL 129           HN       VAL 129  11.825   2.202   5.215
 1021    HA   VAL 129           HA       VAL 129  12.593  -0.507   6.063
 1022    HB   VAL 129           HB       VAL 129  11.283  -0.265   3.927
 1023   HG11  VAL 129          HG11      VAL 129  13.811   1.068   2.967
 1024   HG12  VAL 129          HG12      VAL 129  12.209   1.797   3.086
 1025   HG13  VAL 129          HG13      VAL 129  12.508   0.506   1.922
 1026   HG21  VAL 129          HG21      VAL 129  14.049  -1.439   3.650
 1027   HG22  VAL 129          HG22      VAL 129  12.653  -1.832   2.646
 1028   HG23  VAL 129          HG23      VAL 129  12.649  -2.241   4.361
 1029    H    GLU 130           HN       GLU 130  14.762  -1.125   5.952
 1030    HA   GLU 130           HA       GLU 130  16.633   1.124   5.712
 1031    HB2  GLU 130           HB2      GLU 130  17.103  -1.432   7.242
 1032    HB3  GLU 130           HB1      GLU 130  18.072   0.033   7.275
 1033    HG2  GLU 130           HG2      GLU 130  16.224   1.244   8.307
 1034    HG3  GLU 130           HG1      GLU 130  15.248  -0.223   8.279
 1035    H    LEU 131           HN       LEU 131  17.762   1.118   3.921
 1036    HA   LEU 131           HA       LEU 131  18.446  -1.463   2.675
 1037    HB2  LEU 131           HB2      LEU 131  17.864   1.150   1.276
 1038    HB3  LEU 131           HB1      LEU 131  18.274  -0.362   0.494
 1039    HG   LEU 131           HG       LEU 131  15.748   0.226   2.037
 1040   HD11  LEU 131          HD11      LEU 131  15.835   1.278  -0.157
 1041   HD12  LEU 131          HD12      LEU 131  14.663  -0.037  -0.132
 1042   HD13  LEU 131          HD13      LEU 131  16.234  -0.272  -0.896
 1043   HD21  LEU 131          HD21      LEU 131  15.020  -2.003   1.278
 1044   HD22  LEU 131          HD22      LEU 131  16.390  -2.078   2.384
 1045   HD23  LEU 131          HD23      LEU 131  16.643  -2.299   0.653
 1046    H    THR 132           HN       THR 132  20.549  -1.806   2.334
 1047    HA   THR 132           HA       THR 132  22.492   0.120   3.151
 1048    HB   THR 132           HB       THR 132  23.193  -2.280   1.502
 1049    HG1  THR 132           HG1      THR 132  21.647  -3.020   3.040
 1050   HG21  THR 132          HG21      THR 132  24.956  -0.741   2.279
 1051   HG22  THR 132          HG22      THR 132  25.118  -2.346   2.995
 1052   HG23  THR 132          HG23      THR 132  24.447  -1.020   3.945
 1053    H    VAL 133           HN       VAL 133  23.574   1.598   1.943
 1054    HA   VAL 133           HA       VAL 133  22.817   1.840  -0.836
 1055    HB   VAL 133           HB       VAL 133  22.871   3.862   0.521
 1056   HG11  VAL 133          HG11      VAL 133  25.833   3.395   0.760
 1057   HG12  VAL 133          HG12      VAL 133  24.650   3.346   2.066
 1058   HG13  VAL 133          HG13      VAL 133  24.989   4.868   1.240
 1059   HG21  VAL 133          HG21      VAL 133  23.229   4.046  -1.881
 1060   HG22  VAL 133          HG22      VAL 133  24.969   3.879  -1.642
 1061   HG23  VAL 133          HG23      VAL 133  24.124   5.292  -1.009
 1062    H    THR 134           HN       THR 134  23.811   0.771  -2.322
 1063    HA   THR 134           HA       THR 134  26.693   0.241  -2.056
 1064    HB   THR 134           HB       THR 134  26.256  -1.697  -3.613
 1065    HG1  THR 134           HG1      THR 134  24.090  -0.757  -4.187
 1066   HG21  THR 134          HG21      THR 134  25.376  -3.171  -1.867
 1067   HG22  THR 134          HG22      THR 134  24.819  -1.767  -0.956
 1068   HG23  THR 134          HG23      THR 134  26.545  -2.031  -1.200
 1069    H    GLU 135           HN       GLU 135  27.890   1.304  -3.436
 1070    HA   GLU 135           HA       GLU 135  28.685   2.316  -5.284
 1071    HB2  GLU 135           HB2      GLU 135  27.547   0.522  -6.606
 1072    HB3  GLU 135           HB1      GLU 135  26.137   1.568  -6.723
 1073    HG2  GLU 135           HG2      GLU 135  27.481   3.248  -7.882
 1074    HG3  GLU 135           HG1      GLU 135  28.887   2.195  -7.772
 1075    H    THR 136           HN       THR 136  28.590   4.190  -4.126
 1076    HA   THR 136           HA       THR 136  27.002   6.207  -5.461
 1077    HB   THR 136           HB       THR 136  25.646   5.671  -3.457
 1078    HG1  THR 136           HG1      THR 136  26.288   8.077  -2.580
 1079   HG21  THR 136          HG21      THR 136  27.422   4.949  -1.946
 1080   HG22  THR 136          HG22      THR 136  26.491   6.262  -1.225
 1081   HG23  THR 136          HG23      THR 136  28.080   6.585  -1.919
 1082    H    GLU 137           HN       GLU 137  27.984   8.327  -5.230
 1083    HA   GLU 137           HA       GLU 137  30.813   8.130  -4.453
 1084    HB2  GLU 137           HB2      GLU 137  29.567   9.812  -6.626
 1085    HB3  GLU 137           HB1      GLU 137  31.257   9.864  -6.153
 1086    HG2  GLU 137           HG2      GLU 137  29.830   7.463  -7.263
 1087    HG3  GLU 137           HG1      GLU 137  30.904   8.529  -8.166
 1088    HA   PRO 138           HA       PRO 138  29.651  11.417  -1.556
 1089    HB2  PRO 138           HB2      PRO 138  32.322  10.857  -0.498
 1090    HB3  PRO 138           HB1      PRO 138  30.756  10.737   0.307
 1091    HG2  PRO 138           HG2      PRO 138  32.221   8.565  -0.341
 1092    HG3  PRO 138           HG1      PRO 138  30.448   8.551  -0.329
 1093    HD2  PRO 138           HD2      PRO 138  32.327   8.780  -2.649
 1094    HD3  PRO 138           HD1      PRO 138  30.825   7.844  -2.502
 1095    H    GLY 139           HN       GLY 139  31.291  13.244  -0.693
 1096    HA2  GLY 139           HA2      GLY 139  33.330  14.459  -1.478
 1097    HA3  GLY 139           HA1      GLY 139  32.724  14.184  -3.102
 1098    H    ILE 140           HN       ILE 140  30.690  15.080  -0.375
 1099    HA   ILE 140           HA       ILE 140  29.426  17.243  -1.502
 1100    HB   ILE 140           HB       ILE 140  28.712  16.295   0.623
 1101   HG12  ILE 140          HG12      ILE 140  28.364  18.433   1.922
 1102   HG13  ILE 140          HG11      ILE 140  29.400  19.230   0.742
 1103   HG21  ILE 140          HG21      ILE 140  31.184  17.540   1.803
 1104   HG22  ILE 140          HG22      ILE 140  30.849  15.818   1.633
 1105   HG23  ILE 140          HG23      ILE 140  29.874  16.801   2.723
 1106   HD11  ILE 140          HD11      ILE 140  26.796  17.841   0.162
 1107   HD12  ILE 140          HD12      ILE 140  27.837  18.617  -1.031
 1108   HD13  ILE 140          HD13      ILE 140  27.064  19.582   0.226
 1109    H    LYS 141           HN       LYS 141  30.090  19.193  -2.199
 1110    HA   LYS 141           HA       LYS 141  32.936  19.694  -1.947
 1111    HB2  LYS 141           HB2      LYS 141  30.861  20.926  -3.759
 1112    HB3  LYS 141           HB1      LYS 141  32.588  21.253  -3.835
 1113    HG2  LYS 141           HG2      LYS 141  33.030  18.924  -4.356
 1114    HG3  LYS 141           HG1      LYS 141  31.312  18.553  -4.223
 1115    HD2  LYS 141           HD2      LYS 141  30.863  20.095  -6.092
 1116    HD3  LYS 141           HD1      LYS 141  32.597  20.388  -6.243
 1117    HE2  LYS 141           HE2      LYS 141  32.959  18.015  -6.709
 1118    HE3  LYS 141           HE1      LYS 141  31.230  17.714  -6.543
 1119    HZ1  LYS 141           HZ1      LYS 141  31.780  17.895  -8.850
 1120    HZ2  LYS 141           HZ2      LYS 141  32.548  19.381  -8.614
 1121    HZ3  LYS 141           HZ3      LYS 141  30.876  19.256  -8.417
 1122    H    GLY 142           HN       GLY 142  31.981  20.307   0.423
 1123    HA2  GLY 142           HA2      GLY 142  32.625  21.974   1.901
 1124    HA3  GLY 142           HA1      GLY 142  32.816  23.070   0.548
 1125    H    ASP 143           HN       ASP 143  30.068  22.625  -0.423
 1126    HA   ASP 143           HA       ASP 143  28.812  24.566   1.297
 1127    HB2  ASP 143           HB2      ASP 143  26.991  24.568  -0.361
 1128    HB3  ASP 143           HB1      ASP 143  28.561  24.802  -1.118
 1129    H    THR 144           HN       THR 144  26.723  24.311   2.256
 1130    HA   THR 144           HA       THR 144  26.246  21.524   3.081
 1131    HB   THR 144           HB       THR 144  25.291  23.918   4.638
 1132    HG1  THR 144           HG1      THR 144  27.525  24.217   4.485
 1133   HG21  THR 144          HG21      THR 144  25.396  22.355   6.515
 1134   HG22  THR 144          HG22      THR 144  26.048  21.107   5.452
 1135   HG23  THR 144          HG23      THR 144  24.402  21.696   5.216
 1136    H    ALA 145           HN       ALA 145  25.175  22.305   0.691
 1137    HA   ALA 145           HA       ALA 145  22.519  23.321   0.972
 1138    HB1  ALA 145           HB1      ALA 145  22.250  22.727  -1.374
 1139    HB2  ALA 145           HB2      ALA 145  23.756  21.814  -1.326
 1140    HB3  ALA 145           HB3      ALA 145  23.781  23.564  -1.114
 1141    H    THR 146           HN       THR 146  20.711  22.277   1.443
 1142    HA   THR 146           HA       THR 146  20.821  19.605   2.396
 1143    HB   THR 146           HB       THR 146  18.296  19.929   2.592
 1144    HG1  THR 146           HG1      THR 146  17.531  21.596   1.552
 1145   HG21  THR 146          HG21      THR 146  19.811  20.303   4.467
 1146   HG22  THR 146          HG22      THR 146  18.523  21.507   4.465
 1147   HG23  THR 146          HG23      THR 146  20.135  21.939   3.895
 1148    H    GLY 147           HN       GLY 147  20.138  21.001  -0.660
 1149    HA2  GLY 147           HA2      GLY 147  18.870  18.540  -1.627
 1150    HA3  GLY 147           HA1      GLY 147  18.939  20.071  -2.488
 1151    H    ALA 148           HN       ALA 148  21.841  19.060  -0.984
 1152    HA   ALA 148           HA       ALA 148  23.118  18.672  -3.540
 1153    HB1  ALA 148           HB1      ALA 148  24.258  18.361  -0.768
 1154    HB2  ALA 148           HB2      ALA 148  24.260  19.850  -1.711
 1155    HB3  ALA 148           HB3      ALA 148  25.172  18.450  -2.274
 1156    H    THR 149           HN       THR 149  21.997  16.807  -4.290
 1157    HA   THR 149           HA       THR 149  22.728  14.332  -2.875
 1158    HB   THR 149           HB       THR 149  20.591  13.366  -3.802
 1159    HG1  THR 149           HG1      THR 149  20.480  15.699  -5.042
 1160   HG21  THR 149          HG21      THR 149  19.158  14.399  -2.070
 1161   HG22  THR 149          HG22      THR 149  20.373  15.659  -1.847
 1162   HG23  THR 149          HG23      THR 149  20.760  13.982  -1.461
 1163    H    LYS 150           HN       LYS 150  22.935  12.434  -4.196
 1164    HA   LYS 150           HA       LYS 150  23.319  12.922  -7.071
 1165    HB2  LYS 150           HB2      LYS 150  25.486  12.767  -5.620
 1166    HB3  LYS 150           HB1      LYS 150  25.114  11.050  -5.553
 1167    HG2  LYS 150           HG2      LYS 150  24.996  11.178  -8.111
 1168    HG3  LYS 150           HG1      LYS 150  25.823  12.726  -7.934
 1169    HD2  LYS 150           HD2      LYS 150  27.586  11.260  -8.229
 1170    HD3  LYS 150           HD1      LYS 150  27.488  11.366  -6.471
 1171    HE2  LYS 150           HE2      LYS 150  27.740   9.057  -7.070
 1172    HE3  LYS 150           HE1      LYS 150  26.095   9.300  -6.489
 1173    HZ1  LYS 150           HZ1      LYS 150  26.879   9.216  -9.355
 1174    HZ2  LYS 150           HZ2      LYS 150  25.304   9.322  -8.749
 1175    HZ3  LYS 150           HZ3      LYS 150  26.210   7.918  -8.501
 1176    H    SER 151           HN       SER 151  23.175  10.924  -8.336
 1177    HA   SER 151           HA       SER 151  21.071   9.233  -7.446
 1178    HB2  SER 151           HB2      SER 151  21.539   8.034  -9.617
 1179    HB3  SER 151           HB1      SER 151  21.248   9.765  -9.789
 1180    HG   SER 151           HG       SER 151  23.556   8.296 -10.225
 1181    H    ALA 152           HN       ALA 152  21.423   7.820  -5.880
 1182    HA   ALA 152           HA       ALA 152  23.902   6.222  -5.889
 1183    HB1  ALA 152           HB1      ALA 152  23.213   5.668  -3.541
 1184    HB2  ALA 152           HB2      ALA 152  21.912   6.845  -3.715
 1185    HB3  ALA 152           HB3      ALA 152  23.595   7.367  -3.817
 1186    H    THR 153           HN       THR 153  23.647   3.945  -5.237
 1187    HA   THR 153           HA       THR 153  21.038   2.842  -6.055
 1188    HB   THR 153           HB       THR 153  23.724   1.476  -6.324
 1189    HG1  THR 153           HG1      THR 153  22.347   3.249  -7.982
 1190   HG21  THR 153          HG21      THR 153  21.014   0.815  -7.490
 1191   HG22  THR 153          HG22      THR 153  21.793  -0.036  -6.157
 1192   HG23  THR 153          HG23      THR 153  22.508  -0.079  -7.768
 1193    H    VAL 154           HN       VAL 154  20.048   1.487  -4.619
 1194    HA   VAL 154           HA       VAL 154  21.554   0.852  -2.192
 1195    HB   VAL 154           HB       VAL 154  19.310   0.166  -1.248
 1196   HG11  VAL 154          HG11      VAL 154  18.592   2.486  -0.866
 1197   HG12  VAL 154          HG12      VAL 154  19.666   3.018  -2.161
 1198   HG13  VAL 154          HG13      VAL 154  20.337   2.295  -0.699
 1199   HG21  VAL 154          HG21      VAL 154  17.319   1.058  -2.378
 1200   HG22  VAL 154          HG22      VAL 154  18.124  -0.182  -3.340
 1201   HG23  VAL 154          HG23      VAL 154  18.318   1.522  -3.756
 1202    H    GLU 155           HN       GLU 155  20.773  -1.330  -1.175
 1203    HA   GLU 155           HA       GLU 155  21.879  -3.366  -2.680
 1204    HB2  GLU 155           HB2      GLU 155  20.950  -4.893  -0.967
 1205    HB3  GLU 155           HB1      GLU 155  21.760  -3.490  -0.285
 1206    HG2  GLU 155           HG2      GLU 155  19.581  -2.422   0.063
 1207    HG3  GLU 155           HG1      GLU 155  18.790  -3.870  -0.563
 1208    H    THR 156           HN       THR 156  18.570  -2.279  -2.619
 1209    HA   THR 156           HA       THR 156  17.428  -4.663  -3.678
 1210    HB   THR 156           HB       THR 156  15.404  -3.334  -4.033
 1211    HG1  THR 156           HG1      THR 156  15.431  -1.099  -3.624
 1212   HG21  THR 156          HG21      THR 156  15.000  -2.660  -1.736
 1213   HG22  THR 156          HG22      THR 156  16.735  -2.627  -1.418
 1214   HG23  THR 156          HG23      THR 156  15.933  -4.158  -1.767
 1215    H    GLY 157           HN       GLY 157  19.204  -2.105  -5.061
 1216    HA2  GLY 157           HA2      GLY 157  19.905  -2.087  -7.333
 1217    HA3  GLY 157           HA1      GLY 157  18.447  -2.973  -7.761
 1218    H    TYR 158           HN       TYR 158  17.403  -0.764  -5.653
 1219    HA   TYR 158           HA       TYR 158  16.250   0.892  -7.680
 1220    HB2  TYR 158           HB2      TYR 158  15.018   0.274  -5.633
 1221    HB3  TYR 158           HB1      TYR 158  16.180   1.177  -4.673
 1222    HD1  TYR 158           HD1      TYR 158  13.680   1.599  -7.399
 1223    HD2  TYR 158           HD2      TYR 158  15.821   3.431  -4.211
 1224    HE1  TYR 158           HE1      TYR 158  12.325   3.634  -7.665
 1225    HE2  TYR 158           HE2      TYR 158  14.468   5.468  -4.468
 1226    HH   TYR 158           HH       TYR 158  13.157   6.589  -6.186
 1227    H    THR 159           HN       THR 159  16.620   3.040  -8.099
 1228    HA   THR 159           HA       THR 159  19.175   4.105  -7.123
 1229    HB   THR 159           HB       THR 159  17.617   4.984  -9.555
 1230    HG1  THR 159           HG1      THR 159  18.396   2.743  -9.591
 1231   HG21  THR 159          HG21      THR 159  19.749   5.979 -10.245
 1232   HG22  THR 159          HG22      THR 159  20.495   5.426  -8.745
 1233   HG23  THR 159          HG23      THR 159  19.214   6.638  -8.698
 1234    H    LEU 160           HN       LEU 160  19.112   5.787  -5.745
 1235    HA   LEU 160           HA       LEU 160  16.841   7.610  -5.836
 1236    HB2  LEU 160           HB2      LEU 160  16.244   7.415  -3.573
 1237    HB3  LEU 160           HB1      LEU 160  16.358   5.783  -4.175
 1238    HG   LEU 160           HG       LEU 160  17.245   5.627  -2.057
 1239   HD11  LEU 160          HD11      LEU 160  18.765   4.611  -3.662
 1240   HD12  LEU 160          HD12      LEU 160  19.607   5.195  -2.226
 1241   HD13  LEU 160          HD13      LEU 160  19.694   6.111  -3.730
 1242   HD21  LEU 160          HD21      LEU 160  18.723   8.205  -2.506
 1243   HD22  LEU 160          HD22      LEU 160  18.817   7.210  -1.054
 1244   HD23  LEU 160          HD23      LEU 160  17.291   7.968  -1.506
 1245    H    ASN 161           HN       ASN 161  17.228   9.594  -4.560
 1246    HA   ASN 161           HA       ASN 161  19.958  10.417  -5.148
 1247    HB2  ASN 161           HB2      ASN 161  17.531  12.047  -4.364
 1248    HB3  ASN 161           HB1      ASN 161  19.088  12.708  -4.845
 1249   HD21  ASN 161          HD21      ASN 161  16.446  13.049  -6.031
 1250   HD22  ASN 161          HD22      ASN 161  16.598  12.540  -7.678
 1251    H    VAL 162           HN       VAL 162  21.395  10.122  -3.571
 1252    HA   VAL 162           HA       VAL 162  20.599  10.604  -0.782
 1253    HB   VAL 162           HB       VAL 162  22.651   9.460  -0.125
 1254   HG11  VAL 162          HG11      VAL 162  21.040   7.935  -2.156
 1255   HG12  VAL 162          HG12      VAL 162  20.712   8.081  -0.429
 1256   HG13  VAL 162          HG13      VAL 162  22.139   7.206  -0.986
 1257   HG21  VAL 162          HG21      VAL 162  24.064   8.350  -1.829
 1258   HG22  VAL 162          HG22      VAL 162  24.126  10.111  -1.910
 1259   HG23  VAL 162          HG23      VAL 162  23.168   9.209  -3.083
 1260    HA   PRO 163           HA       PRO 163  22.940  14.412  -0.504
 1261    HB2  PRO 163           HB2      PRO 163  23.821  13.272   2.103
 1262    HB3  PRO 163           HB1      PRO 163  23.112  14.852   1.751
 1263    HG2  PRO 163           HG2      PRO 163  21.668  12.938   2.914
 1264    HG3  PRO 163           HG1      PRO 163  20.950  14.021   1.708
 1265    HD2  PRO 163           HD2      PRO 163  21.803  11.176   1.434
 1266    HD3  PRO 163           HD1      PRO 163  20.435  12.024   0.687
 1267    H    LEU 164           HN       LEU 164  25.042  15.048  -0.806
 1268    HA   LEU 164           HA       LEU 164  26.703  13.164  -2.052
 1269    HB2  LEU 164           HB2      LEU 164  27.385  15.954  -1.146
 1270    HB3  LEU 164           HB1      LEU 164  28.286  15.005  -2.311
 1271    HG   LEU 164           HG       LEU 164  25.478  16.055  -2.650
 1272   HD11  LEU 164          HD11      LEU 164  27.189  17.764  -2.837
 1273   HD12  LEU 164          HD12      LEU 164  26.474  17.421  -4.412
 1274   HD13  LEU 164          HD13      LEU 164  28.067  16.781  -4.006
 1275   HD21  LEU 164          HD21      LEU 164  25.651  13.917  -3.735
 1276   HD22  LEU 164          HD22      LEU 164  27.181  14.378  -4.486
 1277   HD23  LEU 164          HD23      LEU 164  25.686  15.189  -4.957
 1278    H    PHE 165           HN       PHE 165  26.421  13.707   1.256
 1279    HA   PHE 165           HA       PHE 165  29.213  12.981   1.755
 1280    HB2  PHE 165           HB2      PHE 165  28.663  13.476   4.164
 1281    HB3  PHE 165           HB1      PHE 165  28.561  14.851   3.073
 1282    HD1  PHE 165           HD1      PHE 165  26.482  12.294   4.796
 1283    HD2  PHE 165           HD2      PHE 165  26.625  16.122   2.939
 1284    HE1  PHE 165           HE1      PHE 165  24.198  12.755   5.579
 1285    HE2  PHE 165           HE2      PHE 165  24.339  16.587   3.717
 1286    HZ   PHE 165           HZ       PHE 165  23.123  14.903   5.038
 1287    H    VAL 166           HN       VAL 166  26.678  11.269   0.984
 1288    HA   VAL 166           HA       VAL 166  26.741   9.315   3.141
 1289    HB   VAL 166           HB       VAL 166  25.237   9.310   0.516
 1290   HG11  VAL 166          HG11      VAL 166  25.727   7.027   1.268
 1291   HG12  VAL 166          HG12      VAL 166  24.006   7.403   1.400
 1292   HG13  VAL 166          HG13      VAL 166  25.024   7.403   2.843
 1293   HG21  VAL 166          HG21      VAL 166  24.443  10.999   2.068
 1294   HG22  VAL 166          HG22      VAL 166  24.331   9.795   3.352
 1295   HG23  VAL 166          HG23      VAL 166  23.272   9.686   1.947
 1296    H    ASN 167           HN       ASN 167  27.855   7.423   3.112
 1297    HA   ASN 167           HA       ASN 167  29.607   7.002   0.787
 1298    HB2  ASN 167           HB2      ASN 167  30.070   6.428   3.716
 1299    HB3  ASN 167           HB1      ASN 167  31.113   5.811   2.444
 1300   HD21  ASN 167          HD21      ASN 167  32.917   6.899   3.075
 1301   HD22  ASN 167          HD22      ASN 167  33.079   8.618   2.967
 1302    H    GLU 168           HN       GLU 168  30.143   4.846   0.207
 1303    HA   GLU 168           HA       GLU 168  27.958   3.105   0.031
 1304    HB2  GLU 168           HB2      GLU 168  30.904   2.535  -0.342
 1305    HB3  GLU 168           HB1      GLU 168  29.604   1.462  -0.839
 1306    HG2  GLU 168           HG2      GLU 168  28.799   3.119  -2.410
 1307    HG3  GLU 168           HG1      GLU 168  30.039   4.253  -1.877
 1308    H    GLY 169           HN       GLY 169  27.172   1.608   1.361
 1309    HA2  GLY 169           HA2      GLY 169  27.598  -0.257   2.867
 1310    HA3  GLY 169           HA1      GLY 169  28.899   0.689   3.570
 1311    H    ASP 170           HN       ASP 170  27.069   3.118   3.396
 1312    HA   ASP 170           HA       ASP 170  26.026   2.990   6.011
 1313    HB2  ASP 170           HB2      ASP 170  25.835   4.934   3.773
 1314    HB3  ASP 170           HB1      ASP 170  24.593   5.029   5.014
 1315    H    VAL 171           HN       VAL 171  23.968   2.686   6.796
 1316    HA   VAL 171           HA       VAL 171  22.140   1.337   4.962
 1317    HB   VAL 171           HB       VAL 171  22.004   1.549   7.972
 1318   HG11  VAL 171          HG11      VAL 171  19.809   1.225   6.970
 1319   HG12  VAL 171          HG12      VAL 171  20.334  -0.238   7.805
 1320   HG13  VAL 171          HG13      VAL 171  20.420  -0.147   6.046
 1321   HG21  VAL 171          HG21      VAL 171  22.726  -0.797   7.958
 1322   HG22  VAL 171          HG22      VAL 171  23.941   0.267   7.249
 1323   HG23  VAL 171          HG23      VAL 171  22.916  -0.720   6.206
 1324    H    LEU 172           HN       LEU 172  20.759   2.552   3.959
 1325    HA   LEU 172           HA       LEU 172  20.005   5.154   4.995
 1326    HB2  LEU 172           HB2      LEU 172  19.145   3.833   2.428
 1327    HB3  LEU 172           HB1      LEU 172  19.033   5.534   2.828
 1328    HG   LEU 172           HG       LEU 172  21.578   3.987   2.347
 1329   HD11  LEU 172          HD11      LEU 172  20.123   6.067   0.729
 1330   HD12  LEU 172          HD12      LEU 172  20.376   4.374   0.306
 1331   HD13  LEU 172          HD13      LEU 172  21.748   5.480   0.381
 1332   HD21  LEU 172          HD21      LEU 172  21.169   6.912   2.955
 1333   HD22  LEU 172          HD22      LEU 172  22.696   6.154   2.506
 1334   HD23  LEU 172          HD23      LEU 172  21.911   5.723   4.025
 1335    H    ILE 173           HN       ILE 173  18.135   5.563   6.001
 1336    HA   ILE 173           HA       ILE 173  16.072   3.495   6.008
 1337    HB   ILE 173           HB       ILE 173  16.107   6.086   7.570
 1338   HG12  ILE 173          HG12      ILE 173  16.992   3.319   8.438
 1339   HG13  ILE 173          HG11      ILE 173  18.063   4.681   8.133
 1340   HG21  ILE 173          HG21      ILE 173  14.530   3.538   7.945
 1341   HG22  ILE 173          HG22      ILE 173  13.902   5.057   7.309
 1342   HG23  ILE 173          HG23      ILE 173  14.452   4.963   8.981
 1343   HD11  ILE 173          HD11      ILE 173  15.972   4.517  10.290
 1344   HD12  ILE 173          HD12      ILE 173  17.022   5.899   9.980
 1345   HD13  ILE 173          HD13      ILE 173  17.715   4.364  10.505
 1346    H    ILE 174           HN       ILE 174  14.264   3.695   4.768
 1347    HA   ILE 174           HA       ILE 174  13.742   6.351   3.597
 1348    HB   ILE 174           HB       ILE 174  13.446   3.703   2.159
 1349   HG12  ILE 174          HG12      ILE 174  15.465   5.924   1.745
 1350   HG13  ILE 174          HG11      ILE 174  15.810   4.367   2.488
 1351   HG21  ILE 174          HG21      ILE 174  12.976   5.069   0.184
 1352   HG22  ILE 174          HG22      ILE 174  13.083   6.531   1.165
 1353   HG23  ILE 174          HG23      ILE 174  11.795   5.362   1.461
 1354   HD11  ILE 174          HD11      ILE 174  15.248   3.257   0.376
 1355   HD12  ILE 174          HD12      ILE 174  16.570   4.409   0.199
 1356   HD13  ILE 174          HD13      ILE 174  14.952   4.832  -0.358
 1357    H    ASN 175           HN       ASN 175  11.672   7.020   3.551
 1358    HA   ASN 175           HA       ASN 175   9.696   5.520   5.032
 1359    HB2  ASN 175           HB2      ASN 175  10.039   8.067   5.090
 1360    HB3  ASN 175           HB1      ASN 175   9.258   8.098   3.517
 1361   HD21  ASN 175          HD21      ASN 175   7.446   5.837   4.365
 1362   HD22  ASN 175          HD22      ASN 175   6.264   6.600   5.368
 1363    H    THR 176           HN       THR 176   9.247   3.724   3.788
 1364    HA   THR 176           HA       THR 176   8.666   3.794   1.013
 1365    HB   THR 176           HB       THR 176   7.515   1.667   2.761
 1366    HG1  THR 176           HG1      THR 176   9.406   1.151   3.543
 1367   HG21  THR 176          HG21      THR 176   8.981   1.687   0.123
 1368   HG22  THR 176          HG22      THR 176   7.246   1.481   0.362
 1369   HG23  THR 176          HG23      THR 176   8.368   0.241   0.924
 1370    H    GLY 177           HN       GLY 177   6.807   4.102  -0.057
 1371    HA2  GLY 177           HA2      GLY 177   4.329   3.947  -0.023
 1372    HA3  GLY 177           HA1      GLY 177   4.414   4.707   1.563
 1373    H    ASP 178           HN       ASP 178   6.367   6.595   1.079
 1374    HA   ASP 178           HA       ASP 178   5.111   8.317  -0.947
 1375    HB2  ASP 178           HB2      ASP 178   4.828   9.159   1.331
 1376    HB3  ASP 178           HB1      ASP 178   6.568   9.120   1.577
 1377    H    GLY 179           HN       GLY 179   8.060   6.995   0.320
 1378    HA2  GLY 179           HA2      GLY 179   9.993   6.578  -0.922
 1379    HA3  GLY 179           HA1      GLY 179   9.419   7.695  -2.151
 1380    H    SER 180           HN       SER 180   9.319   8.724   1.106
 1381    HA   SER 180           HA       SER 180  11.105  10.883   0.489
 1382    HB2  SER 180           HB2      SER 180   9.009  11.180   1.831
 1383    HB3  SER 180           HB1      SER 180   9.764  10.255   3.129
 1384    HG   SER 180           HG       SER 180  10.371  12.822   2.166
 1385    H    TYR 181           HN       TYR 181  13.189  11.082   1.076
 1386    HA   TYR 181           HA       TYR 181  14.527   8.762   2.081
 1387    HB2  TYR 181           HB2      TYR 181  15.597  10.037   0.332
 1388    HB3  TYR 181           HB1      TYR 181  15.536  11.503   1.301
 1389    HD1  TYR 181           HD1      TYR 181  17.289  12.040   2.787
 1390    HD2  TYR 181           HD2      TYR 181  17.093   8.138   1.100
 1391    HE1  TYR 181           HE1      TYR 181  19.529  11.552   3.675
 1392    HE2  TYR 181           HE2      TYR 181  19.333   7.640   1.983
 1393    HH   TYR 181           HH       TYR 181  21.338   8.826   2.713
 1394    H    ILE 182           HN       ILE 182  15.019   8.313   4.073
 1395    HA   ILE 182           HA       ILE 182  15.035  10.436   6.106
 1396    HB   ILE 182           HB       ILE 182  14.900   7.433   6.514
 1397   HG12  ILE 182          HG12      ILE 182  12.683   9.480   6.765
 1398   HG13  ILE 182          HG11      ILE 182  12.887   8.405   5.387
 1399   HG21  ILE 182          HG21      ILE 182  14.289   7.994   8.817
 1400   HG22  ILE 182          HG22      ILE 182  14.495   9.708   8.456
 1401   HG23  ILE 182          HG23      ILE 182  15.884   8.622   8.403
 1402   HD11  ILE 182          HD11      ILE 182  12.487   6.485   6.764
 1403   HD12  ILE 182          HD12      ILE 182  11.180   7.647   6.991
 1404   HD13  ILE 182          HD13      ILE 182  12.439   7.488   8.214
 1405    H    SER 183           HN       SER 183  16.852  10.291   7.687
 1406    HA   SER 183           HA       SER 183  19.216  10.283   6.084
 1407    HB2  SER 183           HB2      SER 183  20.264  11.078   8.267
 1408    HB3  SER 183           HB1      SER 183  18.953  12.076   7.634
 1409    HG   SER 183           HG       SER 183  18.823  10.163   9.731
 1410    H    ARG 184           HN       ARG 184  21.056   9.104   6.334
 1411    HA   ARG 184           HA       ARG 184  20.866   6.390   6.864
 1412    HB2  ARG 184           HB2      ARG 184  23.359   6.407   6.778
 1413    HB3  ARG 184           HB1      ARG 184  22.603   7.252   5.434
 1414    HG2  ARG 184           HG2      ARG 184  23.051   9.389   6.500
 1415    HG3  ARG 184           HG1      ARG 184  23.761   8.564   7.886
 1416    HD2  ARG 184           HD2      ARG 184  25.499   7.631   6.426
 1417    HD3  ARG 184           HD1      ARG 184  24.791   8.479   5.051
 1418    HE   ARG 184           HE       ARG 184  25.241  10.479   6.791
 1419   HH11  ARG 184          HH11      ARG 184  27.322   7.880   5.654
 1420   HH12  ARG 184          HH12      ARG 184  28.772   8.827   5.799
 1421   HH21  ARG 184          HH21      ARG 184  27.161  11.700   6.993
 1422   HH22  ARG 184          HH22      ARG 184  28.679  10.987   6.554
 1423    H    GLY 185           HN       GLY 185  21.426   5.078   8.559
 1424    HA2  GLY 185           HA2      GLY 185  21.041   6.123  11.155
 1425    HA3  GLY 185           HA1      GLY 185  21.585   4.496  10.776
  Start of MODEL    2
    1    H1   MET   1           HT1      MET   1 -25.376  -5.377   7.160
    2    H2   MET   1           HT2      MET   1 -25.530  -4.934   5.537
    3    H3   MET   1           HT3      MET   1 -26.517  -6.145   6.180
    4    HA   MET   1           HA       MET   1 -27.721  -4.070   5.918
    5    HB2  MET   1           HB2      MET   1 -28.253  -5.700   7.747
    6    HB3  MET   1           HB1      MET   1 -27.231  -4.764   8.824
    7    HG2  MET   1           HG2      MET   1 -28.704  -2.819   8.483
    8    HG3  MET   1           HG1      MET   1 -29.749  -3.818   7.481
    9    HE1  MET   1           HE1      MET   1 -31.813  -3.303  10.788
   10    HE2  MET   1           HE2      MET   1 -31.801  -3.096   9.036
   11    HE3  MET   1           HE3      MET   1 -30.713  -2.143  10.045
   12    H    ILE   2           HN       ILE   2 -25.837  -2.653   5.181
   13    HA   ILE   2           HA       ILE   2 -25.078  -0.780   7.323
   14    HB   ILE   2           HB       ILE   2 -23.659  -1.455   4.743
   15   HG12  ILE   2          HG12      ILE   2 -21.711  -1.729   6.361
   16   HG13  ILE   2          HG11      ILE   2 -22.891  -1.615   7.660
   17   HG21  ILE   2          HG21      ILE   2 -22.082   0.324   5.175
   18   HG22  ILE   2          HG22      ILE   2 -22.973   0.796   6.620
   19   HG23  ILE   2          HG23      ILE   2 -23.711   0.987   5.031
   20   HD11  ILE   2          HD11      ILE   2 -22.850  -3.710   5.503
   21   HD12  ILE   2          HD12      ILE   2 -24.014  -3.602   6.821
   22   HD13  ILE   2          HD13      ILE   2 -22.316  -3.921   7.170
   23    H    SER   3           HN       SER   3 -25.778   1.271   7.178
   24    HA   SER   3           HA       SER   3 -27.231   2.018   4.729
   25    HB2  SER   3           HB2      SER   3 -28.541   1.767   6.911
   26    HB3  SER   3           HB1      SER   3 -27.677   3.195   7.480
   27    HG   SER   3           HG       SER   3 -29.233   4.235   6.515
   28    H    VAL   4           HN       VAL   4 -27.402   4.573   4.684
   29    HA   VAL   4           HA       VAL   4 -24.735   5.359   4.051
   30    HB   VAL   4           HB       VAL   4 -25.696   7.416   3.207
   31   HG11  VAL   4          HG11      VAL   4 -27.397   5.015   2.554
   32   HG12  VAL   4          HG12      VAL   4 -25.844   5.418   1.824
   33   HG13  VAL   4          HG13      VAL   4 -27.240   6.465   1.562
   34   HG21  VAL   4          HG21      VAL   4 -28.071   7.918   3.409
   35   HG22  VAL   4          HG22      VAL   4 -27.320   7.823   5.002
   36   HG23  VAL   4          HG23      VAL   4 -28.301   6.484   4.407
   37    H    ASN   5           HN       ASN   5 -26.213   5.364   6.976
   38    HA   ASN   5           HA       ASN   5 -25.012   7.864   7.883
   39    HB2  ASN   5           HB2      ASN   5 -26.639   5.785   9.359
   40    HB3  ASN   5           HB1      ASN   5 -25.987   7.240  10.103
   41   HD21  ASN   5          HD21      ASN   5 -28.737   6.421   9.881
   42   HD22  ASN   5          HD22      ASN   5 -29.552   7.672   9.004
   43    H    ASP   6           HN       ASP   6 -23.942   4.868   7.219
   44    HA   ASP   6           HA       ASP   6 -22.113   4.769   9.521
   45    HB2  ASP   6           HB2      ASP   6 -23.016   2.553   7.676
   46    HB3  ASP   6           HB1      ASP   6 -21.789   2.370   8.923
   47    H    PHE   7           HN       PHE   7 -20.645   6.225   8.650
   48    HA   PHE   7           HA       PHE   7 -18.802   4.965   6.778
   49    HB2  PHE   7           HB2      PHE   7 -19.881   7.780   6.506
   50    HB3  PHE   7           HB1      PHE   7 -18.394   7.257   5.726
   51    HD1  PHE   7           HD1      PHE   7 -21.933   7.457   5.461
   52    HD2  PHE   7           HD2      PHE   7 -18.544   5.242   4.153
   53    HE1  PHE   7           HE1      PHE   7 -23.236   6.579   3.579
   54    HE2  PHE   7           HE2      PHE   7 -19.843   4.361   2.262
   55    HZ   PHE   7           HZ       PHE   7 -22.196   5.028   1.976
   56    H    LYS   8           HN       LYS   8 -16.621   5.567   7.133
   57    HA   LYS   8           HA       LYS   8 -16.163   7.145   9.570
   58    HB2  LYS   8           HB2      LYS   8 -14.897   4.481   8.896
   59    HB3  LYS   8           HB1      LYS   8 -14.399   5.516  10.228
   60    HG2  LYS   8           HG2      LYS   8 -16.585   5.262  11.264
   61    HG3  LYS   8           HG1      LYS   8 -17.120   4.262   9.912
   62    HD2  LYS   8           HD2      LYS   8 -15.425   2.598  10.454
   63    HD3  LYS   8           HD1      LYS   8 -14.842   3.607  11.779
   64    HE2  LYS   8           HE2      LYS   8 -17.000   3.408  12.895
   65    HE3  LYS   8           HE1      LYS   8 -17.611   2.434  11.559
   66    HZ1  LYS   8           HZ1      LYS   8 -15.386   1.697  13.382
   67    HZ2  LYS   8           HZ2      LYS   8 -15.920   0.768  12.074
   68    HZ3  LYS   8           HZ3      LYS   8 -16.944   1.036  13.390
   69    H    THR   9           HN       THR   9 -13.661   7.545   9.789
   70    HA   THR   9           HA       THR   9 -12.817   9.072   7.607
   71    HB   THR   9           HB       THR   9 -11.961   9.384   9.910
   72    HG1  THR   9           HG1      THR   9 -10.782  10.056   7.924
   73   HG21  THR   9          HG21      THR   9 -10.136   7.959  10.737
   74   HG22  THR   9          HG22      THR   9 -10.343   6.894   9.346
   75   HG23  THR   9          HG23      THR   9 -11.633   7.047  10.540
   76    H    GLY  10           HN       GLY  10 -12.427   5.710   8.321
   77    HA2  GLY  10           HA2      GLY  10 -11.629   5.328   5.551
   78    HA3  GLY  10           HA1      GLY  10 -10.625   4.577   6.788
   79    H    LEU  11           HN       LEU  11 -13.186   4.104   4.773
   80    HA   LEU  11           HA       LEU  11 -13.894   1.651   6.174
   81    HB2  LEU  11           HB2      LEU  11 -15.561   3.301   6.890
   82    HB3  LEU  11           HB1      LEU  11 -15.934   3.666   5.218
   83    HG   LEU  11           HG       LEU  11 -16.736   1.320   4.936
   84   HD11  LEU  11          HD11      LEU  11 -15.457   0.273   6.718
   85   HD12  LEU  11          HD12      LEU  11 -17.183  -0.010   6.938
   86   HD13  LEU  11          HD13      LEU  11 -16.353   1.197   7.922
   87   HD21  LEU  11          HD21      LEU  11 -18.299   3.134   5.383
   88   HD22  LEU  11          HD22      LEU  11 -18.071   2.913   7.119
   89   HD23  LEU  11          HD23      LEU  11 -18.826   1.640   6.160
   90    H    THR  12           HN       THR  12 -14.088  -0.025   4.799
   91    HA   THR  12           HA       THR  12 -13.687   0.543   1.976
   92    HB   THR  12           HB       THR  12 -13.401  -2.053   1.985
   93    HG1  THR  12           HG1      THR  12 -13.629  -2.885   3.909
   94   HG21  THR  12          HG21      THR  12 -11.597  -0.467   1.565
   95   HG22  THR  12          HG22      THR  12 -11.043  -1.789   2.592
   96   HG23  THR  12          HG23      THR  12 -11.405  -0.216   3.300
   97    H    ILE  13           HN       ILE  13 -15.167   0.300   0.466
   98    HA   ILE  13           HA       ILE  13 -17.610  -1.225   1.078
   99    HB   ILE  13           HB       ILE  13 -17.425   1.504  -0.204
  100   HG12  ILE  13          HG12      ILE  13 -19.396   1.839   1.474
  101   HG13  ILE  13          HG11      ILE  13 -18.756   0.393   2.247
  102   HG21  ILE  13          HG21      ILE  13 -19.814   1.344  -0.728
  103   HG22  ILE  13          HG22      ILE  13 -19.802  -0.347  -0.226
  104   HG23  ILE  13          HG23      ILE  13 -18.857   0.164  -1.624
  105   HD11  ILE  13          HD11      ILE  13 -16.604   1.513   2.539
  106   HD12  ILE  13          HD12      ILE  13 -17.923   2.397   3.312
  107   HD13  ILE  13          HD13      ILE  13 -17.265   2.960   1.776
  108    H    SER  14           HN       SER  14 -18.388  -2.510  -0.559
  109    HA   SER  14           HA       SER  14 -16.775  -2.601  -3.005
  110    HB2  SER  14           HB2      SER  14 -16.981  -4.719  -1.762
  111    HB3  SER  14           HB1      SER  14 -18.735  -4.628  -1.885
  112    HG   SER  14           HG       SER  14 -16.923  -5.541  -3.683
  113    H    VAL  15           HN       VAL  15 -17.553  -1.365  -4.562
  114    HA   VAL  15           HA       VAL  15 -20.328  -1.559  -5.347
  115    HB   VAL  15           HB       VAL  15 -20.375   0.239  -3.645
  116   HG11  VAL  15          HG11      VAL  15 -19.270   2.388  -4.108
  117   HG12  VAL  15          HG12      VAL  15 -18.433   1.640  -5.468
  118   HG13  VAL  15          HG13      VAL  15 -18.125   1.077  -3.826
  119   HG21  VAL  15          HG21      VAL  15 -21.488   1.946  -5.000
  120   HG22  VAL  15          HG22      VAL  15 -21.960   0.319  -5.486
  121   HG23  VAL  15          HG23      VAL  15 -20.806   1.228  -6.460
  122    H    ASP  16           HN       ASP  16 -20.662  -0.781  -7.511
  123    HA   ASP  16           HA       ASP  16 -20.081  -0.566  -9.701
  124    HB2  ASP  16           HB2      ASP  16 -17.873   0.995  -8.390
  125    HB3  ASP  16           HB1      ASP  16 -17.831   0.693 -10.124
  126    H    ASN  17           HN       ASN  17 -19.191  -2.832  -8.019
  127    HA   ASN  17           HA       ASN  17 -18.021  -4.753  -8.191
  128    HB2  ASN  17           HB2      ASN  17 -17.662  -3.765 -11.012
  129    HB3  ASN  17           HB1      ASN  17 -17.070  -5.330 -10.466
  130   HD21  ASN  17          HD21      ASN  17 -18.515  -6.962 -10.030
  131   HD22  ASN  17          HD22      ASN  17 -20.179  -6.885 -10.487
  132    H    ALA  18           HN       ALA  18 -16.741  -2.369  -7.195
  133    HA   ALA  18           HA       ALA  18 -13.990  -3.344  -7.396
  134    HB1  ALA  18           HB1      ALA  18 -13.142  -1.015  -7.424
  135    HB2  ALA  18           HB2      ALA  18 -14.802  -0.446  -7.639
  136    HB3  ALA  18           HB3      ALA  18 -14.041  -1.437  -8.883
  137    H    ILE  19           HN       ILE  19 -12.662  -2.565  -5.576
  138    HA   ILE  19           HA       ILE  19 -14.329  -2.283  -3.173
  139    HB   ILE  19           HB       ILE  19 -12.276  -3.053  -1.932
  140   HG12  ILE  19          HG12      ILE  19 -11.366  -3.753  -4.734
  141   HG13  ILE  19          HG11      ILE  19 -10.596  -2.603  -3.646
  142   HG21  ILE  19          HG21      ILE  19 -14.150  -4.522  -2.304
  143   HG22  ILE  19          HG22      ILE  19 -12.648  -5.428  -2.487
  144   HG23  ILE  19          HG23      ILE  19 -13.556  -4.927  -3.913
  145   HD11  ILE  19          HD11      ILE  19 -10.812  -5.574  -3.230
  146   HD12  ILE  19          HD12      ILE  19 -10.075  -4.434  -2.106
  147   HD13  ILE  19          HD13      ILE  19  -9.367  -4.681  -3.702
  148    H    TRP  20           HN       TRP  20 -14.316  -0.449  -2.128
  149    HA   TRP  20           HA       TRP  20 -12.283   1.553  -2.854
  150    HB2  TRP  20           HB2      TRP  20 -15.182   1.976  -2.109
  151    HB3  TRP  20           HB1      TRP  20 -14.048   3.235  -2.564
  152    HD1  TRP  20           HD1      TRP  20 -16.069   0.362  -4.031
  153    HE1  TRP  20           HE1      TRP  20 -16.231   0.658  -6.575
  154    HE3  TRP  20           HE3      TRP  20 -12.864   4.294  -4.570
  155    HZ2  TRP  20           HZ2      TRP  20 -15.129   2.343  -8.558
  156    HZ3  TRP  20           HZ3      TRP  20 -12.468   5.190  -6.827
  157    HH2  TRP  20           HH2      TRP  20 -13.577   4.234  -8.779
  158    H    LYS  21           HN       LYS  21 -11.985   3.280  -1.212
  159    HA   LYS  21           HA       LYS  21 -12.580   2.441   1.516
  160    HB2  LYS  21           HB2      LYS  21 -10.350   1.548   0.960
  161    HB3  LYS  21           HB1      LYS  21  -9.820   3.174   0.549
  162    HG2  LYS  21           HG2      LYS  21  -9.829   3.874   2.764
  163    HG3  LYS  21           HG1      LYS  21 -10.892   2.563   3.275
  164    HD2  LYS  21           HD2      LYS  21  -8.555   2.248   4.018
  165    HD3  LYS  21           HD1      LYS  21  -9.120   0.950   2.968
  166    HE2  LYS  21           HE2      LYS  21  -7.982   2.022   1.068
  167    HE3  LYS  21           HE1      LYS  21  -7.390   3.279   2.150
  168    HZ1  LYS  21           HZ1      LYS  21  -6.777   0.390   2.437
  169    HZ2  LYS  21           HZ2      LYS  21  -6.132   1.652   3.359
  170    HZ3  LYS  21           HZ3      LYS  21  -5.750   1.523   1.718
  171    H    VAL  22           HN       VAL  22 -13.727   4.045   2.253
  172    HA   VAL  22           HA       VAL  22 -13.762   6.673   1.311
  173    HB   VAL  22           HB       VAL  22 -14.622   5.613   4.008
  174   HG11  VAL  22          HG11      VAL  22 -14.274   8.026   4.111
  175   HG12  VAL  22          HG12      VAL  22 -15.995   7.646   4.160
  176   HG13  VAL  22          HG13      VAL  22 -15.265   8.243   2.669
  177   HG21  VAL  22          HG21      VAL  22 -16.189   6.192   1.494
  178   HG22  VAL  22          HG22      VAL  22 -16.859   5.630   3.027
  179   HG23  VAL  22          HG23      VAL  22 -15.771   4.592   2.105
  180    H    ILE  23           HN       ILE  23 -12.345   8.204   1.462
  181    HA   ILE  23           HA       ILE  23 -10.280   8.222   3.495
  182    HB   ILE  23           HB       ILE  23 -10.861  10.156   1.246
  183   HG12  ILE  23          HG12      ILE  23  -8.727   8.034   1.477
  184   HG13  ILE  23          HG11      ILE  23 -10.199   7.873   0.530
  185   HG21  ILE  23          HG21      ILE  23  -9.660  11.235   3.078
  186   HG22  ILE  23          HG22      ILE  23  -8.623  11.048   1.664
  187   HG23  ILE  23          HG23      ILE  23  -8.443   9.959   3.040
  188   HD11  ILE  23          HD11      ILE  23  -9.507   9.688  -0.907
  189   HD12  ILE  23          HD12      ILE  23  -8.245   8.458  -0.833
  190   HD13  ILE  23          HD13      ILE  23  -8.073   9.955   0.083
  191    H    ASP  24           HN       ASP  24 -13.130  10.007   2.524
  192    HA   ASP  24           HA       ASP  24 -13.577  11.004   5.169
  193    HB2  ASP  24           HB2      ASP  24 -11.881  12.620   4.279
  194    HB3  ASP  24           HB1      ASP  24 -13.007  13.021   2.987
  195    H    PHE  25           HN       PHE  25 -15.749  11.722   5.396
  196    HA   PHE  25           HA       PHE  25 -17.338  11.406   2.945
  197    HB2  PHE  25           HB2      PHE  25 -19.056  10.214   4.202
  198    HB3  PHE  25           HB1      PHE  25 -17.516   9.380   4.332
  199    HD1  PHE  25           HD1      PHE  25 -16.180   9.625   6.452
  200    HD2  PHE  25           HD2      PHE  25 -20.212  10.945   6.105
  201    HE1  PHE  25           HE1      PHE  25 -16.383   9.633   8.902
  202    HE2  PHE  25           HE2      PHE  25 -20.420  10.957   8.555
  203    HZ   PHE  25           HZ       PHE  25 -18.505  10.302   9.956
  204    H    GLN  26           HN       GLN  26 -18.936  12.866   2.601
  205    HA   GLN  26           HA       GLN  26 -19.406  14.861   4.711
  206    HB2  GLN  26           HB2      GLN  26 -19.674  15.022   1.710
  207    HB3  GLN  26           HB1      GLN  26 -20.318  16.249   2.788
  208    HG2  GLN  26           HG2      GLN  26 -17.424  15.450   2.588
  209    HG3  GLN  26           HG1      GLN  26 -18.149  16.867   1.833
  210   HE21  GLN  26          HE21      GLN  26 -19.890  17.380   4.140
  211   HE22  GLN  26          HE22      GLN  26 -18.865  18.036   5.367
  212    H    HIS  27           HN       HIS  27 -21.069  13.981   5.854
  213    HA   HIS  27           HA       HIS  27 -23.359  12.829   4.529
  214    HB2  HIS  27           HB2      HIS  27 -22.479  12.058   6.763
  215    HB3  HIS  27           HB1      HIS  27 -23.051  13.573   7.445
  216    HD1  HIS  27           HD1      HIS  27 -24.522  12.006   9.004
  217    HD2  HIS  27           HD2      HIS  27 -25.557  12.000   4.977
  218    HE1  HIS  27           HE1      HIS  27 -26.805  10.963   8.895
  219    HE2  HIS  27           HE2      HIS  27 -27.448  11.032   6.466
  220    H    VAL  28           HN       VAL  28 -24.479  14.295   3.366
  221    HA   VAL  28           HA       VAL  28 -24.947  16.937   4.551
  222    HB   VAL  28           HB       VAL  28 -23.977  17.324   2.486
  223   HG11  VAL  28          HG11      VAL  28 -25.653  15.093   1.355
  224   HG12  VAL  28          HG12      VAL  28 -23.906  15.090   1.617
  225   HG13  VAL  28          HG13      VAL  28 -24.615  16.149   0.398
  226   HG21  VAL  28          HG21      VAL  28 -25.708  18.204   0.996
  227   HG22  VAL  28          HG22      VAL  28 -26.033  18.612   2.680
  228   HG23  VAL  28          HG23      VAL  28 -26.934  17.315   1.898
  229    H    LYS  29           HN       LYS  29 -26.882  17.657   5.070
  230    HA   LYS  29           HA       LYS  29 -29.178  15.872   4.605
  231    HB2  LYS  29           HB2      LYS  29 -28.746  17.839   6.865
  232    HB3  LYS  29           HB1      LYS  29 -30.158  16.821   6.658
  233    HG2  LYS  29           HG2      LYS  29 -28.921  15.728   8.284
  234    HG3  LYS  29           HG1      LYS  29 -28.517  14.853   6.808
  235    HD2  LYS  29           HD2      LYS  29 -26.440  16.111   6.615
  236    HD3  LYS  29           HD1      LYS  29 -26.852  17.040   8.055
  237    HE2  LYS  29           HE2      LYS  29 -26.483  14.050   7.998
  238    HE3  LYS  29           HE1      LYS  29 -25.233  15.198   8.469
  239    HZ1  LYS  29           HZ1      LYS  29 -26.650  15.948  10.274
  240    HZ2  LYS  29           HZ2      LYS  29 -26.368  14.286  10.392
  241    HZ3  LYS  29           HZ3      LYS  29 -27.855  14.849   9.820
  242    HA   PRO  30           HA       PRO  30 -30.393  19.508   2.152
  243    HB2  PRO  30           HB2      PRO  30 -32.433  18.205   0.883
  244    HB3  PRO  30           HB1      PRO  30 -30.754  18.176   0.339
  245    HG2  PRO  30           HG2      PRO  30 -32.274  16.138   1.902
  246    HG3  PRO  30           HG1      PRO  30 -31.098  15.905   0.597
  247    HD2  PRO  30           HD2      PRO  30 -30.465  15.565   3.205
  248    HD3  PRO  30           HD1      PRO  30 -29.292  16.151   2.009
  249    H    GLY  31           HN       GLY  31 -32.672  17.259   3.703
  250    HA2  GLY  31           HA2      GLY  31 -34.093  18.141   5.496
  251    HA3  GLY  31           HA1      GLY  31 -34.268  19.603   4.535
  252    H    LYS  32           HN       LYS  32 -34.269  16.677   2.798
  253    HA   LYS  32           HA       LYS  32 -37.169  16.909   2.381
  254    HB2  LYS  32           HB2      LYS  32 -35.022  15.676   0.641
  255    HB3  LYS  32           HB1      LYS  32 -36.739  15.634   0.277
  256    HG2  LYS  32           HG2      LYS  32 -36.766  18.079   0.147
  257    HG3  LYS  32           HG1      LYS  32 -35.035  18.110   0.493
  258    HD2  LYS  32           HD2      LYS  32 -34.565  16.894  -1.542
  259    HD3  LYS  32           HD1      LYS  32 -36.288  16.698  -1.862
  260    HE2  LYS  32           HE2      LYS  32 -35.403  18.464  -3.247
  261    HE3  LYS  32           HE1      LYS  32 -36.504  19.148  -2.054
  262    HZ1  LYS  32           HZ1      LYS  32 -34.543  20.503  -2.241
  263    HZ2  LYS  32           HZ2      LYS  32 -33.538  19.179  -1.930
  264    HZ3  LYS  32           HZ3      LYS  32 -34.558  19.767  -0.720
  265    H    GLY  33           HN       GLY  33 -35.355  15.347   4.394
  266    HA2  GLY  33           HA2      GLY  33 -35.813  13.426   5.631
  267    HA3  GLY  33           HA1      GLY  33 -36.961  12.930   4.394
  268    H    SER  34           HN       SER  34 -35.388  13.002   2.150
  269    HA   SER  34           HA       SER  34 -33.637  10.729   2.565
  270    HB2  SER  34           HB2      SER  34 -34.352  12.148  -0.011
  271    HB3  SER  34           HB1      SER  34 -33.598  10.563   0.146
  272    HG   SER  34           HG       SER  34 -35.721  10.299   1.540
  273    H    ALA  35           HN       ALA  35 -31.782  11.443   3.506
  274    HA   ALA  35           HA       ALA  35 -30.361  13.736   2.429
  275    HB1  ALA  35           HB1      ALA  35 -28.784  13.371   4.213
  276    HB2  ALA  35           HB2      ALA  35 -29.529  11.821   4.596
  277    HB3  ALA  35           HB3      ALA  35 -30.424  13.317   4.855
  278    H    PHE  36           HN       PHE  36 -27.923  13.396   2.087
  279    HA   PHE  36           HA       PHE  36 -27.327  10.799   0.948
  280    HB2  PHE  36           HB2      PHE  36 -26.333  11.894  -1.110
  281    HB3  PHE  36           HB1      PHE  36 -28.082  11.813  -1.037
  282    HD1  PHE  36           HD1      PHE  36 -29.296  13.935  -0.192
  283    HD2  PHE  36           HD2      PHE  36 -25.285  13.896  -1.609
  284    HE1  PHE  36           HE1      PHE  36 -29.444  16.344  -0.672
  285    HE2  PHE  36           HE2      PHE  36 -25.425  16.305  -2.080
  286    HZ   PHE  36           HZ       PHE  36 -27.506  17.531  -1.612
  287    H    VAL  37           HN       VAL  37 -24.990  10.637   0.337
  288    HA   VAL  37           HA       VAL  37 -23.360  12.257   2.183
  289    HB   VAL  37           HB       VAL  37 -23.088   9.273   1.736
  290   HG11  VAL  37          HG11      VAL  37 -21.493   9.371   3.601
  291   HG12  VAL  37          HG12      VAL  37 -21.635  11.130   3.609
  292   HG13  VAL  37          HG13      VAL  37 -20.959  10.307   2.204
  293   HG21  VAL  37          HG21      VAL  37 -24.121  10.749   4.150
  294   HG22  VAL  37          HG22      VAL  37 -23.875   9.008   4.024
  295   HG23  VAL  37          HG23      VAL  37 -25.094   9.801   3.025
  296    H    ARG  38           HN       ARG  38 -22.156  13.453   0.809
  297    HA   ARG  38           HA       ARG  38 -21.014  12.299  -1.586
  298    HB2  ARG  38           HB2      ARG  38 -21.607  14.701  -1.531
  299    HB3  ARG  38           HB1      ARG  38 -20.431  14.955  -0.247
  300    HG2  ARG  38           HG2      ARG  38 -18.659  14.160  -1.809
  301    HG3  ARG  38           HG1      ARG  38 -19.873  14.131  -3.087
  302    HD2  ARG  38           HD2      ARG  38 -20.229  16.512  -2.851
  303    HD3  ARG  38           HD1      ARG  38 -19.120  16.571  -1.481
  304    HE   ARG  38           HE       ARG  38 -18.017  15.559  -3.976
  305   HH11  ARG  38          HH11      ARG  38 -18.485  18.369  -1.926
  306   HH12  ARG  38          HH12      ARG  38 -17.110  19.211  -2.564
  307   HH21  ARG  38          HH21      ARG  38 -16.202  16.650  -4.790
  308   HH22  ARG  38          HH22      ARG  38 -15.815  18.237  -4.189
  309    H    SER  39           HN       SER  39 -19.614  10.694  -1.112
  310    HA   SER  39           HA       SER  39 -17.665  11.179   1.021
  311    HB2  SER  39           HB2      SER  39 -17.348   8.683   0.961
  312    HB3  SER  39           HB1      SER  39 -18.965   9.208   1.434
  313    HG   SER  39           HG       SER  39 -19.145   8.985  -1.119
  314    H    LYS  40           HN       LYS  40 -15.555  11.215   0.661
  315    HA   LYS  40           HA       LYS  40 -14.593  10.943  -2.094
  316    HB2  LYS  40           HB2      LYS  40 -13.086  11.914   0.348
  317    HB3  LYS  40           HB1      LYS  40 -12.609  12.090  -1.336
  318    HG2  LYS  40           HG2      LYS  40 -14.400  13.629  -1.750
  319    HG3  LYS  40           HG1      LYS  40 -15.059  13.360  -0.135
  320    HD2  LYS  40           HD2      LYS  40 -13.018  14.303   0.843
  321    HD3  LYS  40           HD1      LYS  40 -12.377  14.585  -0.777
  322    HE2  LYS  40           HE2      LYS  40 -14.216  16.102  -1.257
  323    HE3  LYS  40           HE1      LYS  40 -14.911  15.788   0.331
  324    HZ1  LYS  40           HZ1      LYS  40 -12.980  16.773   1.356
  325    HZ2  LYS  40           HZ2      LYS  40 -13.653  17.864   0.256
  326    HZ3  LYS  40           HZ3      LYS  40 -12.253  17.016  -0.152
  327    H    LEU  41           HN       LEU  41 -13.908   8.942  -2.614
  328    HA   LEU  41           HA       LEU  41 -12.598   7.378  -0.523
  329    HB2  LEU  41           HB2      LEU  41 -13.899   5.426  -0.929
  330    HB3  LEU  41           HB1      LEU  41 -15.006   6.753  -0.645
  331    HG   LEU  41           HG       LEU  41 -14.374   5.500  -3.325
  332   HD11  LEU  41          HD11      LEU  41 -16.671   4.727  -3.245
  333   HD12  LEU  41          HD12      LEU  41 -16.894   5.493  -1.673
  334   HD13  LEU  41          HD13      LEU  41 -15.779   4.139  -1.842
  335   HD21  LEU  41          HD21      LEU  41 -16.167   6.921  -4.207
  336   HD22  LEU  41          HD22      LEU  41 -14.812   7.876  -3.611
  337   HD23  LEU  41          HD23      LEU  41 -16.281   7.738  -2.647
  338    H    ARG  42           HN       ARG  42 -11.150   5.819  -1.192
  339    HA   ARG  42           HA       ARG  42 -10.113   6.349  -3.885
  340    HB2  ARG  42           HB2      ARG  42  -8.589   7.037  -2.153
  341    HB3  ARG  42           HB1      ARG  42  -8.741   5.493  -1.332
  342    HG2  ARG  42           HG2      ARG  42  -7.558   4.373  -3.082
  343    HG3  ARG  42           HG1      ARG  42  -7.567   5.825  -4.083
  344    HD2  ARG  42           HD2      ARG  42  -5.389   5.502  -3.044
  345    HD3  ARG  42           HD1      ARG  42  -6.159   6.968  -2.445
  346    HE   ARG  42           HE       ARG  42  -6.855   5.307  -0.530
  347   HH11  ARG  42          HH11      ARG  42  -3.753   5.525  -2.165
  348   HH12  ARG  42          HH12      ARG  42  -2.850   5.008  -0.777
  349   HH21  ARG  42          HH21      ARG  42  -5.651   4.643   1.291
  350   HH22  ARG  42          HH22      ARG  42  -3.925   4.505   1.181
  351    H    ASN  43           HN       ASN  43 -10.005   4.746  -5.325
  352    HA   ASN  43           HA       ASN  43 -10.944   2.130  -4.831
  353    HB2  ASN  43           HB2      ASN  43 -10.761   3.198  -7.114
  354    HB3  ASN  43           HB1      ASN  43  -9.020   2.963  -7.022
  355   HD21  ASN  43          HD21      ASN  43 -11.066   1.876  -8.864
  356   HD22  ASN  43          HD22      ASN  43 -10.851   0.160  -8.806
  357    H    LEU  44           HN       LEU  44 -10.001   0.532  -3.772
  358    HA   LEU  44           HA       LEU  44  -7.589   0.988  -2.391
  359    HB2  LEU  44           HB2      LEU  44  -9.679  -0.445  -1.819
  360    HB3  LEU  44           HB1      LEU  44  -8.858  -1.700  -2.718
  361    HG   LEU  44           HG       LEU  44  -7.447  -0.348  -0.449
  362   HD11  LEU  44          HD11      LEU  44  -9.471  -2.569  -0.244
  363   HD12  LEU  44          HD12      LEU  44  -9.576  -0.967   0.490
  364   HD13  LEU  44          HD13      LEU  44  -8.347  -2.110   1.034
  365   HD21  LEU  44          HD21      LEU  44  -6.405  -2.579  -0.260
  366   HD22  LEU  44          HD22      LEU  44  -6.145  -1.837  -1.839
  367   HD23  LEU  44          HD23      LEU  44  -7.349  -3.111  -1.652
  368    H    ARG  45           HN       ARG  45  -8.325  -0.578  -5.393
  369    HA   ARG  45           HA       ARG  45  -5.836  -2.052  -5.450
  370    HB2  ARG  45           HB2      ARG  45  -7.964  -1.724  -7.563
  371    HB3  ARG  45           HB1      ARG  45  -6.578  -2.801  -7.679
  372    HG2  ARG  45           HG2      ARG  45  -7.435  -3.910  -5.572
  373    HG3  ARG  45           HG1      ARG  45  -8.921  -2.986  -5.814
  374    HD2  ARG  45           HD2      ARG  45  -9.075  -3.957  -8.097
  375    HD3  ARG  45           HD1      ARG  45  -7.689  -4.971  -7.714
  376    HE   ARG  45           HE       ARG  45 -10.312  -5.124  -6.377
  377   HH11  ARG  45          HH11      ARG  45  -7.258  -6.575  -7.292
  378   HH12  ARG  45          HH12      ARG  45  -7.761  -8.184  -6.886
  379   HH21  ARG  45          HH21      ARG  45 -10.968  -7.230  -5.830
  380   HH22  ARG  45          HH22      ARG  45  -9.876  -8.570  -6.058
  381    H    THR  46           HN       THR  46  -7.205   0.783  -7.097
  382    HA   THR  46           HA       THR  46  -4.740   1.001  -8.659
  383    HB   THR  46           HB       THR  46  -6.013   2.561 -10.089
  384    HG1  THR  46           HG1      THR  46  -8.400   2.451  -9.635
  385   HG21  THR  46          HG21      THR  46  -7.390  -0.075  -9.578
  386   HG22  THR  46          HG22      THR  46  -5.982   0.176 -10.614
  387   HG23  THR  46          HG23      THR  46  -7.535   0.896 -11.045
  388    H    GLY  47           HN       GLY  47  -6.140   2.311  -5.919
  389    HA2  GLY  47           HA2      GLY  47  -5.508   4.068  -4.572
  390    HA3  GLY  47           HA1      GLY  47  -4.153   4.329  -5.659
  391    H    ALA  48           HN       ALA  48  -7.281   4.306  -7.061
  392    HA   ALA  48           HA       ALA  48  -6.938   7.007  -7.957
  393    HB1  ALA  48           HB1      ALA  48  -8.968   6.645  -9.224
  394    HB2  ALA  48           HB2      ALA  48  -9.273   5.146  -8.344
  395    HB3  ALA  48           HB3      ALA  48  -7.872   5.276  -9.410
  396    H    ILE  49           HN       ILE  49  -7.818   8.813  -7.196
  397    HA   ILE  49           HA       ILE  49  -9.458   8.677  -4.793
  398    HB   ILE  49           HB       ILE  49  -8.416  11.146  -6.183
  399   HG12  ILE  49          HG12      ILE  49  -6.521   9.724  -5.591
  400   HG13  ILE  49          HG11      ILE  49  -6.578  11.134  -4.541
  401   HG21  ILE  49          HG21      ILE  49 -10.243  11.555  -4.632
  402   HG22  ILE  49          HG22      ILE  49  -8.733  12.202  -3.991
  403   HG23  ILE  49          HG23      ILE  49  -9.381  10.688  -3.362
  404   HD11  ILE  49          HD11      ILE  49  -7.439   8.339  -3.851
  405   HD12  ILE  49          HD12      ILE  49  -7.622   9.741  -2.797
  406   HD13  ILE  49          HD13      ILE  49  -6.012   9.191  -3.259
  407    H    GLN  50           HN       GLN  50 -11.541   8.263  -5.293
  408    HA   GLN  50           HA       GLN  50 -12.811   9.975  -7.326
  409    HB2  GLN  50           HB2      GLN  50 -12.768   7.529  -7.858
  410    HB3  GLN  50           HB1      GLN  50 -13.698   7.234  -6.397
  411    HG2  GLN  50           HG2      GLN  50 -15.531   8.586  -7.303
  412    HG3  GLN  50           HG1      GLN  50 -14.600   8.837  -8.779
  413   HE21  GLN  50          HE21      GLN  50 -14.338   7.147 -10.213
  414   HE22  GLN  50          HE22      GLN  50 -15.301   5.712 -10.140
  415    H    GLU  51           HN       GLU  51 -15.197  10.370  -6.823
  416    HA   GLU  51           HA       GLU  51 -15.789  10.142  -3.977
  417    HB2  GLU  51           HB2      GLU  51 -16.840  12.405  -4.015
  418    HB3  GLU  51           HB1      GLU  51 -15.088  12.412  -4.155
  419    HG2  GLU  51           HG2      GLU  51 -15.175  12.934  -6.454
  420    HG3  GLU  51           HG1      GLU  51 -16.904  12.597  -6.538
  421    H    LYS  52           HN       LYS  52 -17.738   9.440  -3.541
  422    HA   LYS  52           HA       LYS  52 -19.688   9.217  -5.739
  423    HB2  LYS  52           HB2      LYS  52 -18.571   7.159  -3.922
  424    HB3  LYS  52           HB1      LYS  52 -20.300   7.075  -4.210
  425    HG2  LYS  52           HG2      LYS  52 -19.984   6.777  -6.541
  426    HG3  LYS  52           HG1      LYS  52 -18.267   7.170  -6.420
  427    HD2  LYS  52           HD2      LYS  52 -17.730   5.137  -5.476
  428    HD3  LYS  52           HD1      LYS  52 -19.356   4.886  -4.837
  429    HE2  LYS  52           HE2      LYS  52 -18.755   3.380  -6.726
  430    HE3  LYS  52           HE1      LYS  52 -20.200   4.348  -7.002
  431    HZ1  LYS  52           HZ1      LYS  52 -17.499   5.015  -8.048
  432    HZ2  LYS  52           HZ2      LYS  52 -18.946   5.824  -8.390
  433    HZ3  LYS  52           HZ3      LYS  52 -18.717   4.242  -8.937
  434    H    THR  53           HN       THR  53 -21.855   9.445  -5.183
  435    HA   THR  53           HA       THR  53 -22.312  10.472  -2.472
  436    HB   THR  53           HB       THR  53 -23.991  10.922  -4.942
  437    HG1  THR  53           HG1      THR  53 -21.821  11.970  -4.786
  438   HG21  THR  53          HG21      THR  53 -25.112  12.621  -3.566
  439   HG22  THR  53          HG22      THR  53 -24.126  12.147  -2.185
  440   HG23  THR  53          HG23      THR  53 -25.284  11.010  -2.872
  441    H    PHE  54           HN       PHE  54 -23.093   8.966  -1.180
  442    HA   PHE  54           HA       PHE  54 -24.796   6.852  -2.190
  443    HB2  PHE  54           HB2      PHE  54 -23.766   7.481   0.580
  444    HB3  PHE  54           HB1      PHE  54 -24.792   6.100   0.205
  445    HD1  PHE  54           HD1      PHE  54 -23.933   4.312  -1.308
  446    HD2  PHE  54           HD2      PHE  54 -21.447   7.444   0.156
  447    HE1  PHE  54           HE1      PHE  54 -21.936   2.984  -1.872
  448    HE2  PHE  54           HE2      PHE  54 -19.448   6.120  -0.401
  449    HZ   PHE  54           HZ       PHE  54 -19.691   3.891  -1.420
  450    H    ARG  55           HN       ARG  55 -26.960   6.569  -1.647
  451    HA   ARG  55           HA       ARG  55 -28.294   9.059  -0.814
  452    HB2  ARG  55           HB2      ARG  55 -29.271   6.901  -2.687
  453    HB3  ARG  55           HB1      ARG  55 -30.133   8.373  -2.274
  454    HG2  ARG  55           HG2      ARG  55 -28.541   9.724  -3.406
  455    HG3  ARG  55           HG1      ARG  55 -27.443   8.358  -3.612
  456    HD2  ARG  55           HD2      ARG  55 -28.637   8.861  -5.683
  457    HD3  ARG  55           HD1      ARG  55 -29.060   7.265  -5.070
  458    HE   ARG  55           HE       ARG  55 -30.773   9.658  -4.856
  459   HH11  ARG  55          HH11      ARG  55 -30.374   6.175  -4.962
  460   HH12  ARG  55          HH12      ARG  55 -32.077   5.869  -5.128
  461   HH21  ARG  55          HH21      ARG  55 -32.996   9.256  -5.053
  462   HH22  ARG  55          HH22      ARG  55 -33.571   7.622  -5.171
  463    H    ALA  56           HN       ALA  56 -29.761   8.987   0.801
  464    HA   ALA  56           HA       ALA  56 -29.952   6.760   2.502
  465    HB1  ALA  56           HB1      ALA  56 -31.804   9.129   2.273
  466    HB2  ALA  56           HB2      ALA  56 -30.363   9.023   3.286
  467    HB3  ALA  56           HB3      ALA  56 -31.753   7.990   3.619
  468    H    GLY  57           HN       GLY  57 -31.234   5.023   2.512
  469    HA2  GLY  57           HA2      GLY  57 -33.358   3.950   2.031
  470    HA3  GLY  57           HA1      GLY  57 -33.456   4.938   0.577
  471    H    GLU  58           HN       GLU  58 -30.467   4.428   0.239
  472    HA   GLU  58           HA       GLU  58 -30.731   1.785  -0.993
  473    HB2  GLU  58           HB2      GLU  58 -28.667   3.956  -1.391
  474    HB3  GLU  58           HB1      GLU  58 -28.604   2.377  -2.165
  475    HG2  GLU  58           HG2      GLU  58 -30.862   2.901  -3.149
  476    HG3  GLU  58           HG1      GLU  58 -30.640   4.549  -2.564
  477    H    LYS  59           HN       LYS  59 -29.560   0.084  -0.347
  478    HA   LYS  59           HA       LYS  59 -28.180   0.342   2.192
  479    HB2  LYS  59           HB2      LYS  59 -28.796  -2.126   0.556
  480    HB3  LYS  59           HB1      LYS  59 -28.203  -2.103   2.213
  481    HG2  LYS  59           HG2      LYS  59 -30.256  -1.022   2.947
  482    HG3  LYS  59           HG1      LYS  59 -30.848  -1.002   1.286
  483    HD2  LYS  59           HD2      LYS  59 -30.746  -3.467   1.254
  484    HD3  LYS  59           HD1      LYS  59 -30.233  -3.448   2.942
  485    HE2  LYS  59           HE2      LYS  59 -32.322  -2.331   3.560
  486    HE3  LYS  59           HE1      LYS  59 -32.832  -2.358   1.873
  487    HZ1  LYS  59           HZ1      LYS  59 -32.269  -4.762   3.516
  488    HZ2  LYS  59           HZ2      LYS  59 -32.843  -4.751   1.925
  489    HZ3  LYS  59           HZ3      LYS  59 -33.811  -4.157   3.177
  490    H    VAL  60           HN       VAL  60 -26.046   0.144   2.496
  491    HA   VAL  60           HA       VAL  60 -24.375   0.098   0.101
  492    HB   VAL  60           HB       VAL  60 -23.574   0.732   2.948
  493   HG11  VAL  60          HG11      VAL  60 -21.704   0.088   1.538
  494   HG12  VAL  60          HG12      VAL  60 -21.636   1.812   1.907
  495   HG13  VAL  60          HG13      VAL  60 -22.192   1.270   0.324
  496   HG21  VAL  60          HG21      VAL  60 -24.341   2.620   0.724
  497   HG22  VAL  60          HG22      VAL  60 -23.690   3.092   2.294
  498   HG23  VAL  60          HG23      VAL  60 -25.268   2.310   2.192
  499    H    GLU  61           HN       GLU  61 -22.963  -1.497  -0.353
  500    HA   GLU  61           HA       GLU  61 -22.903  -3.800   1.460
  501    HB2  GLU  61           HB2      GLU  61 -23.654  -4.222  -0.847
  502    HB3  GLU  61           HB1      GLU  61 -22.134  -3.591  -1.459
  503    HG2  GLU  61           HG2      GLU  61 -20.915  -5.413  -0.519
  504    HG3  GLU  61           HG1      GLU  61 -22.343  -5.987   0.342
  505    HA   PRO  62           HA       PRO  62 -18.818  -2.251   2.427
  506    HB2  PRO  62           HB2      PRO  62 -18.317  -3.899   4.489
  507    HB3  PRO  62           HB1      PRO  62 -19.445  -2.547   4.628
  508    HG2  PRO  62           HG2      PRO  62 -20.017  -5.452   4.177
  509    HG3  PRO  62           HG1      PRO  62 -20.827  -4.309   5.264
  510    HD2  PRO  62           HD2      PRO  62 -21.819  -5.002   2.823
  511    HD3  PRO  62           HD1      PRO  62 -22.115  -3.424   3.577
  512    H    ALA  63           HN       ALA  63 -16.660  -3.082   2.502
  513    HA   ALA  63           HA       ALA  63 -16.324  -5.700   1.196
  514    HB1  ALA  63           HB1      ALA  63 -14.662  -3.215   0.794
  515    HB2  ALA  63           HB2      ALA  63 -15.819  -3.880  -0.354
  516    HB3  ALA  63           HB3      ALA  63 -14.361  -4.787   0.053
  517    H    MET  64           HN       MET  64 -15.532  -7.052   2.688
  518    HA   MET  64           HA       MET  64 -14.033  -6.009   4.935
  519    HB2  MET  64           HB2      MET  64 -14.999  -8.788   4.260
  520    HB3  MET  64           HB1      MET  64 -14.079  -8.402   5.706
  521    HG2  MET  64           HG2      MET  64 -15.843  -6.859   6.410
  522    HG3  MET  64           HG1      MET  64 -16.769  -7.275   4.971
  523    HE1  MET  64           HE1      MET  64 -18.727  -8.930   7.961
  524    HE2  MET  64           HE2      MET  64 -18.800  -7.753   6.650
  525    HE3  MET  64           HE3      MET  64 -17.778  -7.447   8.054
  526    H    ILE  65           HN       ILE  65 -11.969  -5.595   4.649
  527    HA   ILE  65           HA       ILE  65 -10.355  -7.197   2.829
  528    HB   ILE  65           HB       ILE  65  -9.486  -4.854   4.528
  529   HG12  ILE  65          HG12      ILE  65 -11.303  -4.147   3.050
  530   HG13  ILE  65          HG11      ILE  65  -9.772  -3.455   2.530
  531   HG21  ILE  65          HG21      ILE  65  -7.642  -6.193   3.760
  532   HG22  ILE  65          HG22      ILE  65  -7.671  -4.673   2.865
  533   HG23  ILE  65          HG23      ILE  65  -8.256  -6.155   2.107
  534   HD11  ILE  65          HD11      ILE  65  -9.622  -5.147   0.768
  535   HD12  ILE  65          HD12      ILE  65 -11.085  -4.173   0.633
  536   HD13  ILE  65          HD13      ILE  65 -11.172  -5.809   1.284
  537    H    GLU  66           HN       GLU  66  -9.271  -8.921   3.540
  538    HA   GLU  66           HA       GLU  66  -8.814  -9.221   6.411
  539    HB2  GLU  66           HB2      GLU  66  -9.842 -11.112   5.200
  540    HB3  GLU  66           HB1      GLU  66  -8.431 -11.203   4.155
  541    HG2  GLU  66           HG2      GLU  66  -7.041 -11.721   6.115
  542    HG3  GLU  66           HG1      GLU  66  -8.486 -11.692   7.123
  543    H    ASN  67           HN       ASN  67  -6.998  -8.350   7.116
  544    HA   ASN  67           HA       ASN  67  -4.701  -8.109   5.354
  545    HB2  ASN  67           HB2      ASN  67  -5.092  -7.113   8.186
  546    HB3  ASN  67           HB1      ASN  67  -3.694  -6.773   7.169
  547   HD21  ASN  67          HD21      ASN  67  -5.455  -4.886   8.390
  548   HD22  ASN  67          HD22      ASN  67  -6.193  -3.980   7.114
  549    H    ARG  68           HN       ARG  68  -2.979  -9.380   5.434
  550    HA   ARG  68           HA       ARG  68  -2.541 -10.981   7.856
  551    HB2  ARG  68           HB2      ARG  68  -2.292 -11.940   5.001
  552    HB3  ARG  68           HB1      ARG  68  -1.719 -12.830   6.403
  553    HG2  ARG  68           HG2      ARG  68  -4.085 -12.796   7.254
  554    HG3  ARG  68           HG1      ARG  68  -4.557 -12.163   5.676
  555    HD2  ARG  68           HD2      ARG  68  -3.558 -14.150   4.612
  556    HD3  ARG  68           HD1      ARG  68  -3.169 -14.787   6.210
  557    HE   ARG  68           HE       ARG  68  -5.957 -14.208   5.437
  558   HH11  ARG  68          HH11      ARG  68  -3.502 -16.473   6.574
  559   HH12  ARG  68          HH12      ARG  68  -4.670 -17.707   6.941
  560   HH21  ARG  68          HH21      ARG  68  -7.449 -15.835   5.920
  561   HH22  ARG  68          HH22      ARG  68  -6.902 -17.351   6.568
  562    H    ARG  69           HN       ARG  69  -0.220 -11.874   7.800
  563    HA   ARG  69           HA       ARG  69   1.549  -9.933   6.517
  564    HB2  ARG  69           HB2      ARG  69   2.943  -9.816   8.522
  565    HB3  ARG  69           HB1      ARG  69   1.317  -9.236   8.834
  566    HG2  ARG  69           HG2      ARG  69   0.779 -11.418   9.862
  567    HG3  ARG  69           HG1      ARG  69   2.458 -11.905   9.624
  568    HD2  ARG  69           HD2      ARG  69   1.496  -9.576  11.276
  569    HD3  ARG  69           HD1      ARG  69   2.100 -11.108  11.897
  570    HE   ARG  69           HE       ARG  69   4.271 -10.495  10.820
  571   HH11  ARG  69          HH11      ARG  69   1.967  -7.970  11.652
  572   HH12  ARG  69          HH12      ARG  69   3.193  -6.770  11.888
  573   HH21  ARG  69          HH21      ARG  69   5.858  -8.908  11.120
  574   HH22  ARG  69          HH22      ARG  69   5.403  -7.296  11.583
  575    H    MET  70           HN       MET  70   3.130 -10.811   5.417
  576    HA   MET  70           HA       MET  70   3.651 -13.669   5.843
  577    HB2  MET  70           HB2      MET  70   3.733 -12.146   3.232
  578    HB3  MET  70           HB1      MET  70   4.166 -13.828   3.447
  579    HG2  MET  70           HG2      MET  70   2.017 -13.767   2.482
  580    HG3  MET  70           HG1      MET  70   1.829 -14.282   4.150
  581    HE1  MET  70           HE1      MET  70  -0.846 -13.776   3.804
  582    HE2  MET  70           HE2      MET  70  -0.454 -13.266   2.162
  583    HE3  MET  70           HE3      MET  70  -1.430 -12.225   3.197
  584    H    GLN  71           HN       GLN  71   5.738 -14.354   5.869
  585    HA   GLN  71           HA       GLN  71   7.790 -12.330   6.006
  586    HB2  GLN  71           HB2      GLN  71   7.780 -14.237   7.573
  587    HB3  GLN  71           HB1      GLN  71   8.040 -15.332   6.219
  588    HG2  GLN  71           HG2      GLN  71  10.184 -14.324   5.762
  589    HG3  GLN  71           HG1      GLN  71   9.921 -13.124   7.026
  590   HE21  GLN  71          HE21      GLN  71  10.649 -16.454   6.337
  591   HE22  GLN  71          HE22      GLN  71  11.180 -16.869   7.927
  592    H    TYR  72           HN       TYR  72   9.398 -12.008   4.573
  593    HA   TYR  72           HA       TYR  72   8.814 -12.587   1.858
  594    HB2  TYR  72           HB2      TYR  72   9.862 -10.480   2.687
  595    HB3  TYR  72           HB1      TYR  72  11.331 -11.385   3.023
  596    HD1  TYR  72           HD1      TYR  72  12.567 -12.437   1.080
  597    HD2  TYR  72           HD2      TYR  72   9.405  -9.652   0.544
  598    HE1  TYR  72           HE1      TYR  72  13.342 -12.011  -1.209
  599    HE2  TYR  72           HE2      TYR  72  10.161  -9.224  -1.752
  600    HH   TYR  72           HH       TYR  72  11.953  -9.467  -3.173
  601    H    LEU  73           HN       LEU  73   9.071 -14.555   1.096
  602    HA   LEU  73           HA       LEU  73  11.636 -15.926   1.460
  603    HB2  LEU  73           HB2      LEU  73   8.927 -16.795   0.539
  604    HB3  LEU  73           HB1      LEU  73  10.331 -17.679  -0.023
  605    HG   LEU  73           HG       LEU  73  10.958 -17.998   2.414
  606   HD11  LEU  73          HD11      LEU  73   9.634 -16.251   3.407
  607   HD12  LEU  73          HD12      LEU  73   9.121 -17.814   4.043
  608   HD13  LEU  73          HD13      LEU  73   8.148 -16.997   2.821
  609   HD21  LEU  73          HD21      LEU  73   9.980 -19.774   1.054
  610   HD22  LEU  73          HD22      LEU  73   8.363 -19.214   1.478
  611   HD23  LEU  73          HD23      LEU  73   9.428 -19.860   2.725
  612    H    TYR  74           HN       TYR  74  11.879 -17.209  -0.985
  613    HA   TYR  74           HA       TYR  74  12.079 -14.985  -2.862
  614    HB2  TYR  74           HB2      TYR  74  14.490 -15.258  -3.129
  615    HB3  TYR  74           HB1      TYR  74  14.105 -14.880  -1.453
  616    HD1  TYR  74           HD1      TYR  74  15.626 -17.252  -3.699
  617    HD2  TYR  74           HD2      TYR  74  14.119 -16.747   0.248
  618    HE1  TYR  74           HE1      TYR  74  16.847 -19.261  -2.980
  619    HE2  TYR  74           HE2      TYR  74  15.338 -18.753   0.976
  620    HH   TYR  74           HH       TYR  74  16.229 -20.858  -0.113
  621    H    ALA  75           HN       ALA  75  12.365 -15.534  -4.954
  622    HA   ALA  75           HA       ALA  75  12.869 -18.268  -5.757
  623    HB1  ALA  75           HB1      ALA  75  10.853 -18.458  -7.106
  624    HB2  ALA  75           HB2      ALA  75  10.312 -16.872  -6.558
  625    HB3  ALA  75           HB3      ALA  75  10.425 -18.212  -5.415
  626    H    ASP  76           HN       ASP  76  12.266 -17.980  -8.471
  627    HA   ASP  76           HA       ASP  76  14.260 -16.129  -9.362
  628    HB2  ASP  76           HB2      ASP  76  12.189 -17.682 -10.935
  629    HB3  ASP  76           HB1      ASP  76  13.548 -16.809 -11.628
  630    H    GLY  77           HN       GLY  77  13.857 -14.165 -10.615
  631    HA2  GLY  77           HA2      GLY  77  11.623 -12.807  -9.398
  632    HA3  GLY  77           HA1      GLY  77  12.848 -12.075 -10.421
  633    H    ASP  78           HN       ASP  78  10.306 -14.485 -10.738
  634    HA   ASP  78           HA       ASP  78   8.922 -12.676 -12.598
  635    HB2  ASP  78           HB2      ASP  78   9.589 -14.623 -13.887
  636    HB3  ASP  78           HB1      ASP  78   9.024 -15.706 -12.617
  637    H    ASN  79           HN       ASN  79   8.972 -14.915  -9.997
  638    HA   ASN  79           HA       ASN  79   6.444 -13.944  -8.922
  639    HB2  ASN  79           HB2      ASN  79   5.841 -15.962 -10.150
  640    HB3  ASN  79           HB1      ASN  79   7.171 -16.844  -9.399
  641   HD21  ASN  79          HD21      ASN  79   5.961 -18.396  -8.492
  642   HD22  ASN  79          HD22      ASN  79   4.839 -18.126  -7.202
  643    H    HIS  80           HN       HIS  80   6.538 -13.747  -6.685
  644    HA   HIS  80           HA       HIS  80   8.952 -14.865  -5.400
  645    HB2  HIS  80           HB2      HIS  80   7.572 -12.236  -4.882
  646    HB3  HIS  80           HB1      HIS  80   8.704 -12.949  -3.744
  647    HD1  HIS  80           HD1      HIS  80   9.585 -10.332  -4.619
  648    HD2  HIS  80           HD2      HIS  80  10.336 -13.708  -6.944
  649    HE1  HIS  80           HE1      HIS  80  11.507  -9.718  -6.122
  650    HE2  HIS  80           HE2      HIS  80  12.078 -11.838  -7.348
  651    H    VAL  81           HN       VAL  81   8.758 -15.638  -3.269
  652    HA   VAL  81           HA       VAL  81   6.056 -16.627  -2.719
  653    HB   VAL  81           HB       VAL  81   8.700 -17.615  -1.633
  654   HG11  VAL  81          HG11      VAL  81   6.815 -18.128  -0.169
  655   HG12  VAL  81          HG12      VAL  81   7.427 -19.589  -0.943
  656   HG13  VAL  81          HG13      VAL  81   5.942 -18.840  -1.527
  657   HG21  VAL  81          HG21      VAL  81   6.983 -18.713  -3.859
  658   HG22  VAL  81          HG22      VAL  81   8.432 -19.478  -3.206
  659   HG23  VAL  81          HG23      VAL  81   8.552 -17.931  -4.048
  660    H    PHE  82           HN       PHE  82   4.963 -16.023  -0.924
  661    HA   PHE  82           HA       PHE  82   6.463 -14.793   1.291
  662    HB2  PHE  82           HB2      PHE  82   3.884 -13.844   0.033
  663    HB3  PHE  82           HB1      PHE  82   4.414 -13.319   1.625
  664    HD1  PHE  82           HD1      PHE  82   5.276 -13.284  -1.975
  665    HD2  PHE  82           HD2      PHE  82   6.032 -11.647   1.885
  666    HE1  PHE  82           HE1      PHE  82   6.624 -11.498  -2.993
  667    HE2  PHE  82           HE2      PHE  82   7.374  -9.861   0.866
  668    HZ   PHE  82           HZ       PHE  82   7.674  -9.786  -1.575
  669    H    MET  83           HN       MET  83   6.070 -15.765   3.205
  670    HA   MET  83           HA       MET  83   3.941 -17.787   3.214
  671    HB2  MET  83           HB2      MET  83   6.481 -17.514   4.796
  672    HB3  MET  83           HB1      MET  83   5.209 -18.629   5.277
  673    HG2  MET  83           HG2      MET  83   6.645 -18.644   2.633
  674    HG3  MET  83           HG1      MET  83   6.950 -19.739   3.979
  675    HE1  MET  83           HE1      MET  83   5.280 -21.603   4.789
  676    HE2  MET  83           HE2      MET  83   3.651 -21.811   4.147
  677    HE3  MET  83           HE3      MET  83   4.056 -20.367   5.074
  678    H    ASP  84           HN       ASP  84   2.147 -17.374   4.217
  679    HA   ASP  84           HA       ASP  84   1.736 -15.077   5.809
  680    HB2  ASP  84           HB2      ASP  84  -0.063 -15.908   4.503
  681    HB3  ASP  84           HB1      ASP  84   0.050 -17.494   5.253
  682    H    ASN  85           HN       ASN  85   1.955 -14.719   7.852
  683    HA   ASN  85           HA       ASN  85   2.816 -16.772   9.669
  684    HB2  ASN  85           HB2      ASN  85   2.230 -13.835  10.037
  685    HB3  ASN  85           HB1      ASN  85   2.795 -14.878  11.335
  686   HD21  ASN  85          HD21      ASN  85   4.610 -13.543  11.555
  687   HD22  ASN  85          HD22      ASN  85   5.933 -13.621  10.443
  688    H    GLU  86           HN       GLU  86  -0.226 -15.465   8.744
  689    HA   GLU  86           HA       GLU  86  -1.610 -15.830  11.204
  690    HB2  GLU  86           HB2      GLU  86  -2.558 -14.449   9.446
  691    HB3  GLU  86           HB1      GLU  86  -2.611 -15.816   8.349
  692    HG2  GLU  86           HG2      GLU  86  -4.813 -15.388   9.155
  693    HG3  GLU  86           HG1      GLU  86  -4.245 -16.903   9.855
  694    H    SER  87           HN       SER  87  -1.527 -17.858   8.233
  695    HA   SER  87           HA       SER  87  -0.740 -20.110   9.762
  696    HB2  SER  87           HB2      SER  87  -2.751 -21.528   9.320
  697    HB3  SER  87           HB1      SER  87  -3.050 -20.214  10.455
  698    HG   SER  87           HG       SER  87  -3.631 -20.114   7.674
  699    H    PHE  88           HN       PHE  88   0.858 -20.002   8.115
  700    HA   PHE  88           HA       PHE  88   1.909 -21.009   6.390
  701    HB2  PHE  88           HB2      PHE  88  -0.289 -23.011   6.875
  702    HB3  PHE  88           HB1      PHE  88   1.176 -23.331   5.943
  703    HD1  PHE  88           HD1      PHE  88   3.418 -22.975   7.160
  704    HD2  PHE  88           HD2      PHE  88  -0.319 -23.378   9.159
  705    HE1  PHE  88           HE1      PHE  88   4.593 -23.598   9.226
  706    HE2  PHE  88           HE2      PHE  88   0.853 -24.003  11.229
  707    HZ   PHE  88           HZ       PHE  88   3.313 -24.112  11.264
  708    H    GLU  89           HN       GLU  89  -0.294 -19.156   5.455
  709    HA   GLU  89           HA       GLU  89  -1.163 -20.424   3.012
  710    HB2  GLU  89           HB2      GLU  89  -1.411 -17.551   3.918
  711    HB3  GLU  89           HB1      GLU  89  -2.102 -18.198   2.443
  712    HG2  GLU  89           HG2      GLU  89  -2.783 -19.149   5.212
  713    HG3  GLU  89           HG1      GLU  89  -3.730 -17.993   4.279
  714    H    GLN  90           HN       GLN  90   0.469 -20.899   1.669
  715    HA   GLN  90           HA       GLN  90   2.726 -19.190   1.283
  716    HB2  GLN  90           HB2      GLN  90   2.864 -21.637   1.014
  717    HB3  GLN  90           HB1      GLN  90   1.770 -21.544  -0.359
  718    HG2  GLN  90           HG2      GLN  90   3.387 -20.306  -1.632
  719    HG3  GLN  90           HG1      GLN  90   4.464 -20.207  -0.238
  720   HE21  GLN  90          HE21      GLN  90   4.901 -21.350  -2.906
  721   HE22  GLN  90          HE22      GLN  90   5.355 -22.996  -2.641
  722    H    THR  91           HN       THR  91   2.203 -17.227   0.516
  723    HA   THR  91           HA       THR  91   0.306 -16.986  -1.681
  724    HB   THR  91           HB       THR  91   1.556 -14.867   0.065
  725    HG1  THR  91           HG1      THR  91   0.042 -16.383   1.077
  726   HG21  THR  91          HG21      THR  91  -0.164 -13.379  -0.832
  727   HG22  THR  91          HG22      THR  91  -0.736 -14.668  -1.888
  728   HG23  THR  91          HG23      THR  91   0.874 -13.988  -2.121
  729    H    GLU  92           HN       GLU  92   0.928 -16.528  -3.701
  730    HA   GLU  92           HA       GLU  92   3.769 -15.916  -4.148
  731    HB2  GLU  92           HB2      GLU  92   1.741 -17.041  -6.087
  732    HB3  GLU  92           HB1      GLU  92   3.464 -16.851  -6.374
  733    HG2  GLU  92           HG2      GLU  92   3.935 -18.481  -4.615
  734    HG3  GLU  92           HG1      GLU  92   2.205 -18.675  -4.340
  735    H    LEU  93           HN       LEU  93   4.347 -14.109  -5.280
  736    HA   LEU  93           HA       LEU  93   2.136 -12.373  -6.152
  737    HB2  LEU  93           HB2      LEU  93   4.738 -11.625  -4.837
  738    HB3  LEU  93           HB1      LEU  93   3.656 -10.462  -5.572
  739    HG   LEU  93           HG       LEU  93   3.079 -12.201  -3.173
  740   HD11  LEU  93          HD11      LEU  93   4.514 -10.332  -2.667
  741   HD12  LEU  93          HD12      LEU  93   2.903 -10.039  -2.013
  742   HD13  LEU  93          HD13      LEU  93   3.416  -9.228  -3.492
  743   HD21  LEU  93          HD21      LEU  93   1.286 -10.312  -4.690
  744   HD22  LEU  93          HD22      LEU  93   0.957 -10.876  -3.053
  745   HD23  LEU  93          HD23      LEU  93   1.030 -12.030  -4.382
  746    H    SER  94           HN       SER  94   2.219 -11.511  -8.119
  747    HA   SER  94           HA       SER  94   4.308 -12.474  -9.895
  748    HB2  SER  94           HB2      SER  94   1.713 -11.059 -10.498
  749    HB3  SER  94           HB1      SER  94   2.803 -11.748 -11.699
  750    HG   SER  94           HG       SER  94   2.128 -13.517  -9.730
  751    H    SER  95           HN       SER  95   4.579 -10.809 -11.868
  752    HA   SER  95           HA       SER  95   6.531  -9.075 -11.091
  753    HB2  SER  95           HB2      SER  95   6.139  -7.979 -13.364
  754    HB3  SER  95           HB1      SER  95   6.432  -9.717 -13.361
  755    HG   SER  95           HG       SER  95   4.453 -10.063 -14.028
  756    H    ASP  96           HN       ASP  96   3.107  -8.276 -11.542
  757    HA   ASP  96           HA       ASP  96   3.253  -5.505 -11.423
  758    HB2  ASP  96           HB2      ASP  96   1.210  -6.744 -11.993
  759    HB3  ASP  96           HB1      ASP  96   1.065  -7.283 -10.324
  760    H    TYR  97           HN       TYR  97   3.221  -7.842  -8.795
  761    HA   TYR  97           HA       TYR  97   3.122  -5.772  -6.768
  762    HB2  TYR  97           HB2      TYR  97   3.567  -8.741  -6.452
  763    HB3  TYR  97           HB1      TYR  97   3.150  -7.605  -5.175
  764    HD1  TYR  97           HD1      TYR  97   1.904  -9.677  -7.867
  765    HD2  TYR  97           HD2      TYR  97   0.876  -6.582  -5.135
  766    HE1  TYR  97           HE1      TYR  97  -0.480 -10.108  -8.286
  767    HE2  TYR  97           HE2      TYR  97  -1.512  -7.007  -5.544
  768    HH   TYR  97           HH       TYR  97  -2.935  -7.982  -7.280
  769    H    LEU  98           HN       LEU  98   5.414  -7.938  -8.266
  770    HA   LEU  98           HA       LEU  98   7.562  -7.620  -6.472
  771    HB2  LEU  98           HB2      LEU  98   7.802  -8.096  -9.434
  772    HB3  LEU  98           HB1      LEU  98   8.958  -8.534  -8.193
  773    HG   LEU  98           HG       LEU  98   6.291  -9.808  -8.763
  774   HD11  LEU  98          HD11      LEU  98   9.106 -10.874  -8.746
  775   HD12  LEU  98          HD12      LEU  98   8.123 -10.532 -10.171
  776   HD13  LEU  98          HD13      LEU  98   7.649 -11.816  -9.059
  777   HD21  LEU  98          HD21      LEU  98   8.120 -10.287  -6.417
  778   HD22  LEU  98          HD22      LEU  98   6.748 -11.299  -6.867
  779   HD23  LEU  98          HD23      LEU  98   6.483  -9.630  -6.361
  780    H    LYS  99           HN       LYS  99   6.270  -5.617  -8.943
  781    HA   LYS  99           HA       LYS  99   8.442  -3.958  -9.507
  782    HB2  LYS  99           HB2      LYS  99   6.251  -3.971 -10.691
  783    HB3  LYS  99           HB1      LYS  99   5.539  -3.152  -9.310
  784    HG2  LYS  99           HG2      LYS  99   6.951  -1.230  -9.671
  785    HG3  LYS  99           HG1      LYS  99   7.788  -2.059 -10.988
  786    HD2  LYS  99           HD2      LYS  99   5.612  -2.215 -12.182
  787    HD3  LYS  99           HD1      LYS  99   4.889  -1.234 -10.906
  788    HE2  LYS  99           HE2      LYS  99   6.359   0.605 -11.432
  789    HE3  LYS  99           HE1      LYS  99   7.215  -0.377 -12.621
  790    HZ1  LYS  99           HZ1      LYS  99   4.365   0.431 -12.777
  791    HZ2  LYS  99           HZ2      LYS  99   5.182  -0.515 -13.914
  792    HZ3  LYS  99           HZ3      LYS  99   5.630   1.096 -13.677
  793    H    GLU 100           HN       GLU 100   6.031  -3.809  -6.924
  794    HA   GLU 100           HA       GLU 100   7.005  -1.429  -5.733
  795    HB2  GLU 100           HB2      GLU 100   5.487  -3.705  -4.439
  796    HB3  GLU 100           HB1      GLU 100   5.681  -2.089  -3.777
  797    HG2  GLU 100           HG2      GLU 100   4.132  -2.901  -6.219
  798    HG3  GLU 100           HG1      GLU 100   3.509  -2.224  -4.714
  799    H    GLU 101           HN       GLU 101   7.659  -4.853  -5.270
  800    HA   GLU 101           HA       GLU 101   9.456  -4.626  -3.130
  801    HB2  GLU 101           HB2      GLU 101   9.317  -6.672  -5.340
  802    HB3  GLU 101           HB1      GLU 101  10.322  -6.830  -3.909
  803    HG2  GLU 101           HG2      GLU 101   8.362  -6.832  -2.496
  804    HG3  GLU 101           HG1      GLU 101   7.325  -6.587  -3.902
  805    H    LEU 102           HN       LEU 102   9.936  -4.321  -6.615
  806    HA   LEU 102           HA       LEU 102  12.742  -4.257  -6.593
  807    HB2  LEU 102           HB2      LEU 102  10.785  -2.934  -8.476
  808    HB3  LEU 102           HB1      LEU 102  12.514  -3.006  -8.754
  809    HG   LEU 102           HG       LEU 102  10.637  -5.369  -8.607
  810   HD11  LEU 102          HD11      LEU 102  11.102  -5.619 -10.969
  811   HD12  LEU 102          HD12      LEU 102  12.160  -4.210 -10.935
  812   HD13  LEU 102          HD13      LEU 102  10.431  -4.019 -10.651
  813   HD21  LEU 102          HD21      LEU 102  12.816  -5.962  -7.715
  814   HD22  LEU 102          HD22      LEU 102  13.609  -5.260  -9.126
  815   HD23  LEU 102          HD23      LEU 102  12.592  -6.689  -9.306
  816    H    ASN 103           HN       ASN 103  10.380  -1.934  -5.639
  817    HA   ASN 103           HA       ASN 103  12.282   0.230  -5.479
  818    HB2  ASN 103           HB2      ASN 103   9.490  -0.099  -4.365
  819    HB3  ASN 103           HB1      ASN 103  10.478   1.328  -4.076
  820   HD21  ASN 103          HD21      ASN 103   7.927   1.083  -5.434
  821   HD22  ASN 103          HD22      ASN 103   8.168   1.700  -7.032
  822    H    TYR 104           HN       TYR 104  10.630  -1.940  -3.194
  823    HA   TYR 104           HA       TYR 104  12.923  -1.711  -1.388
  824    HB2  TYR 104           HB2      TYR 104  10.108  -1.491  -0.324
  825    HB3  TYR 104           HB1      TYR 104  11.613  -1.214   0.537
  826    HD1  TYR 104           HD1      TYR 104  12.997   0.837  -0.122
  827    HD2  TYR 104           HD2      TYR 104   8.966   0.262  -1.345
  828    HE1  TYR 104           HE1      TYR 104  12.803   3.239  -0.595
  829    HE2  TYR 104           HE2      TYR 104   8.761   2.663  -1.820
  830    HH   TYR 104           HH       TYR 104  11.474   4.763  -1.898
  831    H    LEU 105           HN       LEU 105  13.556  -3.774  -1.072
  832    HA   LEU 105           HA       LEU 105  11.649  -5.575   0.088
  833    HB2  LEU 105           HB2      LEU 105  11.808  -7.402  -1.376
  834    HB3  LEU 105           HB1      LEU 105  11.466  -6.021  -2.383
  835    HG   LEU 105           HG       LEU 105  12.953  -7.386  -3.586
  836   HD11  LEU 105          HD11      LEU 105  14.567  -5.153  -2.410
  837   HD12  LEU 105          HD12      LEU 105  13.497  -5.068  -3.810
  838   HD13  LEU 105          HD13      LEU 105  14.968  -6.044  -3.874
  839   HD21  LEU 105          HD21      LEU 105  15.118  -8.166  -2.762
  840   HD22  LEU 105          HD22      LEU 105  13.774  -8.805  -1.816
  841   HD23  LEU 105          HD23      LEU 105  14.754  -7.485  -1.176
  842    H    LYS 106           HN       LYS 106  12.526  -7.081   1.404
  843    HA   LYS 106           HA       LYS 106  15.411  -7.474   1.457
  844    HB2  LYS 106           HB2      LYS 106  13.790  -6.449   3.792
  845    HB3  LYS 106           HB1      LYS 106  15.329  -7.258   3.998
  846    HG2  LYS 106           HG2      LYS 106  14.891  -4.719   2.440
  847    HG3  LYS 106           HG1      LYS 106  15.521  -4.816   4.085
  848    HD2  LYS 106           HD2      LYS 106  16.798  -6.065   1.655
  849    HD3  LYS 106           HD1      LYS 106  17.303  -4.552   2.404
  850    HE2  LYS 106           HE2      LYS 106  17.970  -5.662   4.394
  851    HE3  LYS 106           HE1      LYS 106  17.204  -7.165   3.892
  852    HZ1  LYS 106           HZ1      LYS 106  19.668  -7.085   3.635
  853    HZ2  LYS 106           HZ2      LYS 106  19.454  -5.931   2.410
  854    HZ3  LYS 106           HZ3      LYS 106  18.817  -7.491   2.230
  855    H    GLU 107           HN       GLU 107  15.949  -9.539   2.166
  856    HA   GLU 107           HA       GLU 107  13.784 -11.397   2.053
  857    HB2  GLU 107           HB2      GLU 107  16.109 -11.777   1.113
  858    HB3  GLU 107           HB1      GLU 107  16.645 -12.025   2.769
  859    HG2  GLU 107           HG2      GLU 107  15.179 -13.916   3.012
  860    HG3  GLU 107           HG1      GLU 107  14.488 -13.629   1.418
  861    H    GLY 108           HN       GLY 108  12.732 -12.381   3.676
  862    HA2  GLY 108           HA2      GLY 108  12.400 -13.165   5.862
  863    HA3  GLY 108           HA1      GLY 108  13.836 -12.294   6.371
  864    H    MET 109           HN       MET 109  12.093 -10.194   4.542
  865    HA   MET 109           HA       MET 109  11.375  -8.576   6.745
  866    HB2  MET 109           HB2      MET 109  11.953  -7.656   4.547
  867    HB3  MET 109           HB1      MET 109  10.510  -8.376   3.858
  868    HG2  MET 109           HG2      MET 109   9.180  -6.998   5.478
  869    HG3  MET 109           HG1      MET 109  10.673  -6.151   5.864
  870    HE1  MET 109           HE1      MET 109  12.153  -5.854   3.035
  871    HE2  MET 109           HE2      MET 109  11.965  -4.616   4.277
  872    HE3  MET 109           HE3      MET 109  11.526  -4.262   2.606
  873    H    GLU 110           HN       GLU 110   9.454  -8.120   7.667
  874    HA   GLU 110           HA       GLU 110   7.226  -9.943   7.222
  875    HB2  GLU 110           HB2      GLU 110   7.801  -7.825   9.298
  876    HB3  GLU 110           HB1      GLU 110   6.298  -8.729   9.233
  877    HG2  GLU 110           HG2      GLU 110   8.906 -10.165   9.390
  878    HG3  GLU 110           HG1      GLU 110   8.177  -9.472  10.838
  879    H    VAL 111           HN       VAL 111   6.013  -9.311   5.484
  880    HA   VAL 111           HA       VAL 111   5.359  -6.451   5.258
  881    HB   VAL 111           HB       VAL 111   4.702  -6.858   2.962
  882   HG11  VAL 111          HG11      VAL 111   6.889  -7.408   2.013
  883   HG12  VAL 111          HG12      VAL 111   7.408  -8.040   3.575
  884   HG13  VAL 111          HG13      VAL 111   7.038  -6.325   3.396
  885   HG21  VAL 111          HG21      VAL 111   5.481  -9.732   3.456
  886   HG22  VAL 111          HG22      VAL 111   5.051  -9.040   1.893
  887   HG23  VAL 111          HG23      VAL 111   3.848  -9.128   3.179
  888    H    GLN 112           HN       GLN 112   3.142  -5.891   4.618
  889    HA   GLN 112           HA       GLN 112   1.229  -7.760   5.855
  890    HB2  GLN 112           HB2      GLN 112   1.132  -4.744   5.695
  891    HB3  GLN 112           HB1      GLN 112  -0.157  -5.752   6.344
  892    HG2  GLN 112           HG2      GLN 112   1.392  -6.589   8.060
  893    HG3  GLN 112           HG1      GLN 112   2.644  -5.522   7.427
  894   HE21  GLN 112          HE21      GLN 112  -0.366  -5.708   9.150
  895   HE22  GLN 112          HE22      GLN 112  -0.324  -4.103   9.797
  896    H    ILE 113           HN       ILE 113   0.271  -8.844   4.239
  897    HA   ILE 113           HA       ILE 113  -0.300  -7.418   1.756
  898    HB   ILE 113           HB       ILE 113  -0.378 -10.379   2.354
  899   HG12  ILE 113          HG12      ILE 113   1.536  -8.691   0.722
  900   HG13  ILE 113          HG11      ILE 113   1.888  -9.450   2.270
  901   HG21  ILE 113          HG21      ILE 113  -2.045  -9.809   0.679
  902   HG22  ILE 113          HG22      ILE 113  -0.698 -10.667  -0.069
  903   HG23  ILE 113          HG23      ILE 113  -0.838  -8.919  -0.249
  904   HD11  ILE 113          HD11      ILE 113   2.868 -10.701   0.446
  905   HD12  ILE 113          HD12      ILE 113   1.284 -10.881  -0.309
  906   HD13  ILE 113          HD13      ILE 113   1.615 -11.651   1.244
  907    H    GLN 114           HN       GLN 114  -2.280  -6.804   1.230
  908    HA   GLN 114           HA       GLN 114  -4.469  -7.521   3.002
  909    HB2  GLN 114           HB2      GLN 114  -4.305  -5.487   0.772
  910    HB3  GLN 114           HB1      GLN 114  -5.721  -5.755   1.781
  911    HG2  GLN 114           HG2      GLN 114  -4.260  -5.223   3.764
  912    HG3  GLN 114           HG1      GLN 114  -3.038  -4.694   2.609
  913   HE21  GLN 114          HE21      GLN 114  -4.547  -3.226   4.658
  914   HE22  GLN 114          HE22      GLN 114  -5.300  -1.912   3.825
  915    H    THR 115           HN       THR 115  -5.790  -9.103   2.531
  916    HA   THR 115           HA       THR 115  -6.037  -9.918  -0.277
  917    HB   THR 115           HB       THR 115  -6.545 -12.197   0.573
  918    HG1  THR 115           HG1      THR 115  -6.267 -10.861   3.011
  919   HG21  THR 115          HG21      THR 115  -4.237 -12.756   1.207
  920   HG22  THR 115          HG22      THR 115  -3.902 -11.040   1.455
  921   HG23  THR 115          HG23      THR 115  -4.291 -11.640  -0.159
  922    H    TYR 116           HN       TYR 116  -8.032 -10.418  -1.082
  923    HA   TYR 116           HA       TYR 116 -10.360  -9.930   0.645
  924    HB2  TYR 116           HB2      TYR 116  -9.853  -8.083  -0.997
  925    HB3  TYR 116           HB1      TYR 116 -10.113  -9.236  -2.295
  926    HD1  TYR 116           HD1      TYR 116 -11.890  -7.983   0.753
  927    HD2  TYR 116           HD2      TYR 116 -12.171  -9.188  -3.317
  928    HE1  TYR 116           HE1      TYR 116 -14.268  -7.358   0.738
  929    HE2  TYR 116           HE2      TYR 116 -14.551  -8.577  -3.339
  930    HH   TYR 116           HH       TYR 116 -16.394  -8.270  -1.741
  931    H    GLU 117           HN       GLU 117 -10.966 -11.993   1.014
  932    HA   GLU 117           HA       GLU 117 -11.588 -14.149   0.708
  933    HB2  GLU 117           HB2      GLU 117 -12.398 -12.930  -1.903
  934    HB3  GLU 117           HB1      GLU 117 -12.495 -14.671  -1.699
  935    HG2  GLU 117           HG2      GLU 117 -14.630 -13.778  -1.223
  936    HG3  GLU 117           HG1      GLU 117 -13.920 -14.283   0.306
  937    H    GLY 118           HN       GLY 118  -8.884 -13.625   0.505
  938    HA2  GLY 118           HA2      GLY 118  -7.094 -15.090   0.145
  939    HA3  GLY 118           HA1      GLY 118  -8.059 -15.946  -1.047
  940    H    GLU 119           HN       GLU 119  -8.639 -13.131  -2.188
  941    HA   GLU 119           HA       GLU 119  -6.524 -13.288  -4.136
  942    HB2  GLU 119           HB2      GLU 119  -8.834 -12.960  -4.849
  943    HB3  GLU 119           HB1      GLU 119  -8.919 -11.457  -3.945
  944    HG2  GLU 119           HG2      GLU 119  -7.265 -10.453  -5.395
  945    HG3  GLU 119           HG1      GLU 119  -7.078 -11.974  -6.269
  946    H    THR 120           HN       THR 120  -4.704 -12.144  -4.079
  947    HA   THR 120           HA       THR 120  -4.207 -10.190  -2.079
  948    HB   THR 120           HB       THR 120  -2.070  -9.805  -3.315
  949    HG1  THR 120           HG1      THR 120  -2.980 -10.316  -5.426
  950   HG21  THR 120          HG21      THR 120  -2.798 -12.693  -2.810
  951   HG22  THR 120          HG22      THR 120  -2.226 -11.540  -1.605
  952   HG23  THR 120          HG23      THR 120  -1.160 -12.051  -2.912
  953    H    ILE 121           HN       ILE 121  -5.215  -8.272  -2.130
  954    HA   ILE 121           HA       ILE 121  -5.749  -7.012  -4.703
  955    HB   ILE 121           HB       ILE 121  -7.103  -5.404  -3.432
  956   HG12  ILE 121          HG12      ILE 121  -6.266  -7.075  -1.052
  957   HG13  ILE 121          HG11      ILE 121  -5.848  -5.391  -1.340
  958   HG21  ILE 121          HG21      ILE 121  -7.706  -8.291  -2.816
  959   HG22  ILE 121          HG22      ILE 121  -8.120  -7.432  -4.302
  960   HG23  ILE 121          HG23      ILE 121  -8.867  -6.964  -2.775
  961   HD11  ILE 121          HD11      ILE 121  -7.579  -5.531   0.307
  962   HD12  ILE 121          HD12      ILE 121  -8.583  -6.496  -0.773
  963   HD13  ILE 121          HD13      ILE 121  -8.237  -4.813  -1.162
  964    H    GLY 122           HN       GLY 122  -3.728  -6.652  -1.887
  965    HA2  GLY 122           HA2      GLY 122  -2.076  -4.778  -3.311
  966    HA3  GLY 122           HA1      GLY 122  -2.932  -4.046  -1.967
  967    H    VAL 123           HN       VAL 123  -0.113  -4.313  -2.271
  968    HA   VAL 123           HA       VAL 123   0.467  -6.043   0.046
  969    HB   VAL 123           HB       VAL 123   2.364  -5.340  -2.203
  970   HG11  VAL 123          HG11      VAL 123   2.705  -7.087   0.230
  971   HG12  VAL 123          HG12      VAL 123   3.543  -5.574  -0.114
  972   HG13  VAL 123          HG13      VAL 123   3.847  -6.997  -1.111
  973   HG21  VAL 123          HG21      VAL 123   2.230  -7.699  -2.814
  974   HG22  VAL 123          HG22      VAL 123   0.646  -6.932  -2.912
  975   HG23  VAL 123          HG23      VAL 123   1.039  -7.970  -1.542
  976    H    GLU 124           HN       GLU 124   1.113  -4.979   1.796
  977    HA   GLU 124           HA       GLU 124   1.956  -2.191   1.458
  978    HB2  GLU 124           HB2      GLU 124  -0.101  -2.692   2.808
  979    HB3  GLU 124           HB1      GLU 124   0.937  -3.523   3.962
  980    HG2  GLU 124           HG2      GLU 124   2.125  -1.475   4.420
  981    HG3  GLU 124           HG1      GLU 124   1.191  -0.625   3.191
  982    H    LEU 125           HN       LEU 125   3.997  -1.708   1.825
  983    HA   LEU 125           HA       LEU 125   5.728  -3.674   3.127
  984    HB2  LEU 125           HB2      LEU 125   6.426  -1.181   1.567
  985    HB3  LEU 125           HB1      LEU 125   7.563  -2.384   2.138
  986    HG   LEU 125           HG       LEU 125   5.404  -2.883   0.086
  987   HD11  LEU 125          HD11      LEU 125   7.212  -2.951  -1.534
  988   HD12  LEU 125          HD12      LEU 125   8.378  -2.560  -0.270
  989   HD13  LEU 125          HD13      LEU 125   7.155  -1.378  -0.736
  990   HD21  LEU 125          HD21      LEU 125   6.596  -4.995  -0.290
  991   HD22  LEU 125          HD22      LEU 125   5.958  -4.882   1.350
  992   HD23  LEU 125          HD23      LEU 125   7.676  -4.616   1.053
  993    HA   PRO 126           HA       PRO 126   6.098  -1.469   6.940
  994    HB2  PRO 126           HB2      PRO 126   8.868  -1.597   7.247
  995    HB3  PRO 126           HB1      PRO 126   7.716  -2.827   7.774
  996    HG2  PRO 126           HG2      PRO 126   9.382  -2.722   5.304
  997    HG3  PRO 126           HG1      PRO 126   8.943  -4.117   6.307
  998    HD2  PRO 126           HD2      PRO 126   7.745  -3.666   3.957
  999    HD3  PRO 126           HD1      PRO 126   6.834  -4.302   5.342
 1000    H    LYS 127           HN       LYS 127   6.281   0.598   7.522
 1001    HA   LYS 127           HA       LYS 127   6.830   2.506   5.507
 1002    HB2  LYS 127           HB2      LYS 127   6.389   2.985   8.455
 1003    HB3  LYS 127           HB1      LYS 127   6.220   4.170   7.166
 1004    HG2  LYS 127           HG2      LYS 127   4.373   2.888   6.219
 1005    HG3  LYS 127           HG1      LYS 127   4.538   1.697   7.509
 1006    HD2  LYS 127           HD2      LYS 127   4.115   3.545   9.143
 1007    HD3  LYS 127           HD1      LYS 127   3.743   4.590   7.772
 1008    HE2  LYS 127           HE2      LYS 127   2.323   2.026   8.480
 1009    HE3  LYS 127           HE1      LYS 127   1.713   3.651   8.772
 1010    HZ1  LYS 127           HZ1      LYS 127   2.321   2.526   6.094
 1011    HZ2  LYS 127           HZ2      LYS 127   1.630   4.034   6.417
 1012    HZ3  LYS 127           HZ3      LYS 127   0.777   2.621   6.774
 1013    H    THR 128           HN       THR 128   8.848   1.067   7.861
 1014    HA   THR 128           HA       THR 128  10.940   2.979   7.102
 1015    HB   THR 128           HB       THR 128  12.007   2.415   9.350
 1016    HG1  THR 128           HG1      THR 128  10.929   0.822  10.294
 1017   HG21  THR 128          HG21      THR 128  10.625   4.055  10.566
 1018   HG22  THR 128          HG22      THR 128   9.382   3.911   9.323
 1019   HG23  THR 128          HG23      THR 128  10.963   4.581   8.916
 1020    H    VAL 129           HN       VAL 129  12.220   1.960   5.703
 1021    HA   VAL 129           HA       VAL 129  12.977  -0.823   6.315
 1022    HB   VAL 129           HB       VAL 129  11.545  -0.629   4.300
 1023   HG11  VAL 129          HG11      VAL 129  12.466   0.360   2.249
 1024   HG12  VAL 129          HG12      VAL 129  13.846   0.958   3.170
 1025   HG13  VAL 129          HG13      VAL 129  12.226   1.563   3.517
 1026   HG21  VAL 129          HG21      VAL 129  12.962  -1.982   2.824
 1027   HG22  VAL 129          HG22      VAL 129  13.103  -2.480   4.510
 1028   HG23  VAL 129          HG23      VAL 129  14.378  -1.514   3.766
 1029    H    GLU 130           HN       GLU 130  15.128  -1.375   6.134
 1030    HA   GLU 130           HA       GLU 130  16.969   0.899   5.948
 1031    HB2  GLU 130           HB2      GLU 130  18.545  -0.603   7.209
 1032    HB3  GLU 130           HB1      GLU 130  17.098  -0.137   8.093
 1033    HG2  GLU 130           HG2      GLU 130  16.101  -2.340   7.401
 1034    HG3  GLU 130           HG1      GLU 130  17.698  -2.784   6.799
 1035    H    LEU 131           HN       LEU 131  17.728   1.085   3.951
 1036    HA   LEU 131           HA       LEU 131  18.642  -1.356   2.581
 1037    HB2  LEU 131           HB2      LEU 131  17.553   1.173   1.338
 1038    HB3  LEU 131           HB1      LEU 131  18.134  -0.225   0.455
 1039    HG   LEU 131           HG       LEU 131  15.692  -0.104   2.226
 1040   HD11  LEU 131          HD11      LEU 131  15.364   0.975   0.094
 1041   HD12  LEU 131          HD12      LEU 131  14.501  -0.562   0.125
 1042   HD13  LEU 131          HD13      LEU 131  16.024  -0.424  -0.750
 1043   HD21  LEU 131          HD21      LEU 131  16.894  -2.423   0.720
 1044   HD22  LEU 131          HD22      LEU 131  15.284  -2.414   1.439
 1045   HD23  LEU 131          HD23      LEU 131  16.707  -2.273   2.469
 1046    H    THR 132           HN       THR 132  20.708  -1.417   2.015
 1047    HA   THR 132           HA       THR 132  22.468   0.717   2.753
 1048    HB   THR 132           HB       THR 132  23.238  -1.633   1.045
 1049    HG1  THR 132           HG1      THR 132  22.107  -2.597   2.696
 1050   HG21  THR 132          HG21      THR 132  25.337  -1.456   2.286
 1051   HG22  THR 132          HG22      THR 132  24.668  -0.136   3.244
 1052   HG23  THR 132          HG23      THR 132  24.936   0.079   1.515
 1053    H    VAL 133           HN       VAL 133  23.305   2.304   1.479
 1054    HA   VAL 133           HA       VAL 133  22.459   2.474  -1.266
 1055    HB   VAL 133           HB       VAL 133  22.563   4.542  -0.074
 1056   HG11  VAL 133          HG11      VAL 133  24.651   5.486   0.791
 1057   HG12  VAL 133          HG12      VAL 133  25.481   3.980   0.398
 1058   HG13  VAL 133          HG13      VAL 133  24.203   3.991   1.614
 1059   HG21  VAL 133          HG21      VAL 133  23.124   4.621  -2.449
 1060   HG22  VAL 133          HG22      VAL 133  24.832   4.423  -2.055
 1061   HG23  VAL 133          HG23      VAL 133  23.972   5.878  -1.547
 1062    H    THR 134           HN       THR 134  23.364   1.284  -2.740
 1063    HA   THR 134           HA       THR 134  26.245   0.712  -2.551
 1064    HB   THR 134           HB       THR 134  25.714  -1.313  -3.946
 1065    HG1  THR 134           HG1      THR 134  23.531  -0.283  -4.476
 1066   HG21  THR 134          HG21      THR 134  26.044  -1.499  -1.528
 1067   HG22  THR 134          HG22      THR 134  24.808  -2.629  -2.083
 1068   HG23  THR 134          HG23      THR 134  24.337  -1.141  -1.262
 1069    H    GLU 135           HN       GLU 135  27.380   1.776  -3.986
 1070    HA   GLU 135           HA       GLU 135  28.130   2.660  -5.927
 1071    HB2  GLU 135           HB2      GLU 135  27.138   0.746  -7.113
 1072    HB3  GLU 135           HB1      GLU 135  25.600   1.591  -7.188
 1073    HG2  GLU 135           HG2      GLU 135  26.799   1.715  -9.299
 1074    HG3  GLU 135           HG1      GLU 135  26.580   3.309  -8.582
 1075    H    THR 136           HN       THR 136  28.158   4.693  -5.383
 1076    HA   THR 136           HA       THR 136  26.143   6.412  -6.557
 1077    HB   THR 136           HB       THR 136  25.400   6.105  -4.180
 1078    HG1  THR 136           HG1      THR 136  25.325   8.198  -5.521
 1079   HG21  THR 136          HG21      THR 136  28.013   7.477  -3.538
 1080   HG22  THR 136          HG22      THR 136  27.560   5.830  -3.098
 1081   HG23  THR 136          HG23      THR 136  26.699   7.198  -2.394
 1082    H    GLU 137           HN       GLU 137  27.004   8.610  -6.841
 1083    HA   GLU 137           HA       GLU 137  29.810   8.421  -7.504
 1084    HB2  GLU 137           HB2      GLU 137  27.809  10.634  -7.973
 1085    HB3  GLU 137           HB1      GLU 137  29.457  10.628  -8.573
 1086    HG2  GLU 137           HG2      GLU 137  28.917   8.542  -9.823
 1087    HG3  GLU 137           HG1      GLU 137  27.236   8.757  -9.341
 1088    HA   PRO 138           HA       PRO 138  31.401  10.635  -4.026
 1089    HB2  PRO 138           HB2      PRO 138  33.626  11.710  -5.150
 1090    HB3  PRO 138           HB1      PRO 138  33.489   9.991  -4.761
 1091    HG2  PRO 138           HG2      PRO 138  33.083  11.371  -7.390
 1092    HG3  PRO 138           HG1      PRO 138  33.982   9.883  -7.040
 1093    HD2  PRO 138           HD2      PRO 138  31.490   9.832  -8.047
 1094    HD3  PRO 138           HD1      PRO 138  32.058   8.607  -6.894
 1095    H    GLY 139           HN       GLY 139  32.409  12.922  -3.582
 1096    HA2  GLY 139           HA2      GLY 139  32.458  15.229  -4.473
 1097    HA3  GLY 139           HA1      GLY 139  30.864  14.906  -5.133
 1098    H    ILE 140           HN       ILE 140  31.859  13.867  -1.928
 1099    HA   ILE 140           HA       ILE 140  29.674  15.096  -0.660
 1100    HB   ILE 140           HB       ILE 140  30.653  13.243   0.455
 1101   HG12  ILE 140          HG12      ILE 140  31.387  15.721   2.031
 1102   HG13  ILE 140          HG11      ILE 140  29.766  15.053   1.906
 1103   HG21  ILE 140          HG21      ILE 140  32.904  13.364  -0.428
 1104   HG22  ILE 140          HG22      ILE 140  32.950  13.240   1.329
 1105   HG23  ILE 140          HG23      ILE 140  33.237  14.795   0.547
 1106   HD11  ILE 140          HD11      ILE 140  30.513  13.019   3.018
 1107   HD12  ILE 140          HD12      ILE 140  30.829  14.446   4.006
 1108   HD13  ILE 140          HD13      ILE 140  32.147  13.674   3.124
 1109    H    LYS 141           HN       LYS 141  29.362  17.194  -0.645
 1110    HA   LYS 141           HA       LYS 141  31.557  19.063  -0.501
 1111    HB2  LYS 141           HB2      LYS 141  28.566  19.435  -0.655
 1112    HB3  LYS 141           HB1      LYS 141  29.697  20.773  -0.547
 1113    HG2  LYS 141           HG2      LYS 141  30.748  20.034  -2.642
 1114    HG3  LYS 141           HG1      LYS 141  29.564  18.729  -2.755
 1115    HD2  LYS 141           HD2      LYS 141  27.761  20.304  -2.937
 1116    HD3  LYS 141           HD1      LYS 141  28.850  21.655  -2.622
 1117    HE2  LYS 141           HE2      LYS 141  28.367  21.540  -4.982
 1118    HE3  LYS 141           HE1      LYS 141  30.057  21.133  -4.705
 1119    HZ1  LYS 141           HZ1      LYS 141  29.512  18.803  -4.942
 1120    HZ2  LYS 141           HZ2      LYS 141  29.005  19.654  -6.311
 1121    HZ3  LYS 141           HZ3      LYS 141  27.875  19.169  -5.154
 1122    H    GLY 142           HN       GLY 142  28.607  18.545   1.427
 1123    HA2  GLY 142           HA2      GLY 142  28.478  18.249   3.733
 1124    HA3  GLY 142           HA1      GLY 142  30.180  18.662   3.857
 1125    H    ASP 143           HN       ASP 143  29.857  21.161   2.346
 1126    HA   ASP 143           HA       ASP 143  28.670  22.740   4.514
 1127    HB2  ASP 143           HB2      ASP 143  30.665  23.500   2.374
 1128    HB3  ASP 143           HB1      ASP 143  29.962  24.645   3.508
 1129    H    THR 144           HN       THR 144  29.162  23.400   1.060
 1130    HA   THR 144           HA       THR 144  26.663  24.827   0.972
 1131    HB   THR 144           HB       THR 144  28.572  24.253  -1.303
 1132    HG1  THR 144           HG1      THR 144  28.459  26.476   0.494
 1133   HG21  THR 144          HG21      THR 144  26.352  25.031  -2.012
 1134   HG22  THR 144          HG22      THR 144  27.581  26.261  -2.307
 1135   HG23  THR 144          HG23      THR 144  26.490  26.417  -0.930
 1136    H    ALA 145           HN       ALA 145  25.380  22.915   1.492
 1137    HA   ALA 145           HA       ALA 145  24.624  21.524  -0.988
 1138    HB1  ALA 145           HB1      ALA 145  24.075  19.519   0.301
 1139    HB2  ALA 145           HB2      ALA 145  24.659  20.298   1.771
 1140    HB3  ALA 145           HB3      ALA 145  25.782  19.932   0.462
 1141    H    THR 146           HN       THR 146  23.299  21.549   2.302
 1142    HA   THR 146           HA       THR 146  21.211  21.965   3.095
 1143    HB   THR 146           HB       THR 146  20.322  24.247   2.503
 1144    HG1  THR 146           HG1      THR 146  21.909  23.943   0.409
 1145   HG21  THR 146          HG21      THR 146  21.835  23.927   4.384
 1146   HG22  THR 146          HG22      THR 146  22.184  25.452   3.569
 1147   HG23  THR 146          HG23      THR 146  23.226  24.053   3.308
 1148    H    GLY 147           HN       GLY 147  20.722  20.051   1.454
 1149    HA2  GLY 147           HA2      GLY 147  18.567  19.333   0.657
 1150    HA3  GLY 147           HA1      GLY 147  18.336  20.933  -0.031
 1151    H    ALA 148           HN       ALA 148  21.466  19.821  -0.520
 1152    HA   ALA 148           HA       ALA 148  20.902  19.314  -3.325
 1153    HB1  ALA 148           HB1      ALA 148  23.302  19.391  -3.644
 1154    HB2  ALA 148           HB2      ALA 148  23.552  19.460  -1.900
 1155    HB3  ALA 148           HB3      ALA 148  22.758  20.799  -2.732
 1156    H    THR 149           HN       THR 149  20.923  17.352  -4.248
 1157    HA   THR 149           HA       THR 149  21.842  15.081  -2.636
 1158    HB   THR 149           HB       THR 149  19.822  13.821  -3.493
 1159    HG1  THR 149           HG1      THR 149  18.221  15.974  -3.716
 1160   HG21  THR 149          HG21      THR 149  18.306  14.752  -1.776
 1161   HG22  THR 149          HG22      THR 149  19.369  16.151  -1.624
 1162   HG23  THR 149          HG23      THR 149  19.951  14.547  -1.180
 1163    H    LYS 150           HN       LYS 150  22.107  13.098  -3.891
 1164    HA   LYS 150           HA       LYS 150  22.654  13.562  -6.737
 1165    HB2  LYS 150           HB2      LYS 150  24.709  12.240  -6.534
 1166    HB3  LYS 150           HB1      LYS 150  24.768  13.678  -5.527
 1167    HG2  LYS 150           HG2      LYS 150  24.289  12.343  -3.555
 1168    HG3  LYS 150           HG1      LYS 150  24.170  10.890  -4.553
 1169    HD2  LYS 150           HD2      LYS 150  26.512  11.251  -5.274
 1170    HD3  LYS 150           HD1      LYS 150  26.611  12.616  -4.163
 1171    HE2  LYS 150           HE2      LYS 150  25.922   9.819  -3.296
 1172    HE3  LYS 150           HE1      LYS 150  27.568  10.447  -3.321
 1173    HZ1  LYS 150           HZ1      LYS 150  26.901  12.162  -1.766
 1174    HZ2  LYS 150           HZ2      LYS 150  26.586  10.625  -1.135
 1175    HZ3  LYS 150           HZ3      LYS 150  25.316  11.566  -1.744
 1176    H    SER 151           HN       SER 151  22.496  11.696  -8.063
 1177    HA   SER 151           HA       SER 151  20.332  10.010  -7.275
 1178    HB2  SER 151           HB2      SER 151  22.050   9.873  -9.762
 1179    HB3  SER 151           HB1      SER 151  20.452   9.156  -9.549
 1180    HG   SER 151           HG       SER 151  19.697  10.990 -10.205
 1181    H    ALA 152           HN       ALA 152  20.811   8.536  -5.761
 1182    HA   ALA 152           HA       ALA 152  23.163   6.806  -6.153
 1183    HB1  ALA 152           HB1      ALA 152  22.859   6.196  -3.800
 1184    HB2  ALA 152           HB2      ALA 152  21.445   7.245  -3.712
 1185    HB3  ALA 152           HB3      ALA 152  23.044   7.939  -3.996
 1186    H    THR 153           HN       THR 153  22.866   4.507  -5.590
 1187    HA   THR 153           HA       THR 153  20.106   3.573  -6.031
 1188    HB   THR 153           HB       THR 153  22.607   2.169  -6.995
 1189    HG1  THR 153           HG1      THR 153  21.250   4.249  -8.049
 1190   HG21  THR 153          HG21      THR 153  20.713   0.682  -6.531
 1191   HG22  THR 153          HG22      THR 153  21.030   0.786  -8.262
 1192   HG23  THR 153          HG23      THR 153  19.679   1.672  -7.559
 1193    H    VAL 154           HN       VAL 154  19.344   2.253  -4.467
 1194    HA   VAL 154           HA       VAL 154  21.185   1.419  -2.392
 1195    HB   VAL 154           HB       VAL 154  19.127   0.495  -1.260
 1196   HG11  VAL 154          HG11      VAL 154  20.027   2.677  -0.686
 1197   HG12  VAL 154          HG12      VAL 154  18.264   2.711  -0.641
 1198   HG13  VAL 154          HG13      VAL 154  19.125   3.417  -2.008
 1199   HG21  VAL 154          HG21      VAL 154  16.952   1.251  -2.094
 1200   HG22  VAL 154          HG22      VAL 154  17.747   0.163  -3.234
 1201   HG23  VAL 154          HG23      VAL 154  17.735   1.902  -3.535
 1202    H    GLU 155           HN       GLU 155  20.655  -0.892  -1.472
 1203    HA   GLU 155           HA       GLU 155  21.747  -2.697  -3.264
 1204    HB2  GLU 155           HB2      GLU 155  21.145  -4.433  -1.591
 1205    HB3  GLU 155           HB1      GLU 155  21.948  -3.031  -0.900
 1206    HG2  GLU 155           HG2      GLU 155  19.723  -2.155  -0.241
 1207    HG3  GLU 155           HG1      GLU 155  19.013  -3.672  -0.795
 1208    H    THR 156           HN       THR 156  18.392  -1.925  -2.717
 1209    HA   THR 156           HA       THR 156  17.318  -4.289  -3.880
 1210    HB   THR 156           HB       THR 156  15.173  -3.120  -3.867
 1211    HG1  THR 156           HG1      THR 156  15.032  -0.959  -3.486
 1212   HG21  THR 156          HG21      THR 156  16.748  -2.505  -1.367
 1213   HG22  THR 156          HG22      THR 156  16.062  -4.079  -1.763
 1214   HG23  THR 156          HG23      THR 156  14.999  -2.698  -1.491
 1215    H    GLY 157           HN       GLY 157  18.680  -1.437  -5.185
 1216    HA2  GLY 157           HA2      GLY 157  19.112  -1.203  -7.526
 1217    HA3  GLY 157           HA1      GLY 157  17.661  -2.142  -7.851
 1218    H    TYR 158           HN       TYR 158  16.830  -0.164  -5.424
 1219    HA   TYR 158           HA       TYR 158  15.272   1.548  -7.088
 1220    HB2  TYR 158           HB2      TYR 158  14.432   0.755  -4.938
 1221    HB3  TYR 158           HB1      TYR 158  15.745   1.573  -4.108
 1222    HD1  TYR 158           HD1      TYR 158  12.800   2.262  -6.292
 1223    HD2  TYR 158           HD2      TYR 158  15.446   3.721  -3.298
 1224    HE1  TYR 158           HE1      TYR 158  11.391   4.262  -6.027
 1225    HE2  TYR 158           HE2      TYR 158  14.048   5.723  -3.026
 1226    HH   TYR 158           HH       TYR 158  12.400   7.025  -4.445
 1227    H    THR 159           HN       THR 159  15.730   3.510  -7.825
 1228    HA   THR 159           HA       THR 159  18.224   4.779  -7.049
 1229    HB   THR 159           HB       THR 159  17.494   6.426  -8.908
 1230    HG1  THR 159           HG1      THR 159  15.476   5.985  -9.466
 1231   HG21  THR 159          HG21      THR 159  18.315   4.900 -10.655
 1232   HG22  THR 159          HG22      THR 159  18.110   3.539  -9.553
 1233   HG23  THR 159          HG23      THR 159  19.288   4.800  -9.189
 1234    H    LEU 160           HN       LEU 160  18.361   6.575  -5.817
 1235    HA   LEU 160           HA       LEU 160  16.023   8.243  -5.418
 1236    HB2  LEU 160           HB2      LEU 160  15.845   8.020  -3.099
 1237    HB3  LEU 160           HB1      LEU 160  15.974   6.378  -3.687
 1238    HG   LEU 160           HG       LEU 160  18.267   7.936  -2.490
 1239   HD11  LEU 160          HD11      LEU 160  16.484   5.853  -1.246
 1240   HD12  LEU 160          HD12      LEU 160  16.529   7.569  -0.840
 1241   HD13  LEU 160          HD13      LEU 160  17.927   6.546  -0.509
 1242   HD21  LEU 160          HD21      LEU 160  17.961   5.042  -3.278
 1243   HD22  LEU 160          HD22      LEU 160  19.264   5.655  -2.261
 1244   HD23  LEU 160          HD23      LEU 160  19.107   6.218  -3.923
 1245    H    ASN 161           HN       ASN 161  16.512  10.267  -4.462
 1246    HA   ASN 161           HA       ASN 161  19.227  11.114  -5.066
 1247    HB2  ASN 161           HB2      ASN 161  16.786  12.710  -4.250
 1248    HB3  ASN 161           HB1      ASN 161  18.334  13.398  -4.721
 1249   HD21  ASN 161          HD21      ASN 161  15.694  13.718  -5.883
 1250   HD22  ASN 161          HD22      ASN 161  15.834  13.241  -7.538
 1251    H    VAL 162           HN       VAL 162  20.599  10.599  -3.466
 1252    HA   VAL 162           HA       VAL 162  19.812  11.037  -0.683
 1253    HB   VAL 162           HB       VAL 162  21.842   9.826  -0.076
 1254   HG11  VAL 162          HG11      VAL 162  19.837   8.535  -0.512
 1255   HG12  VAL 162          HG12      VAL 162  21.271   7.637  -1.013
 1256   HG13  VAL 162          HG13      VAL 162  20.259   8.427  -2.221
 1257   HG21  VAL 162          HG21      VAL 162  22.368   9.684  -3.042
 1258   HG22  VAL 162          HG22      VAL 162  23.265   8.802  -1.807
 1259   HG23  VAL 162          HG23      VAL 162  23.321  10.564  -1.849
 1260    HA   PRO 163           HA       PRO 163  22.032  14.872  -0.215
 1261    HB2  PRO 163           HB2      PRO 163  22.935  13.635   2.346
 1262    HB3  PRO 163           HB1      PRO 163  22.190  15.213   2.062
 1263    HG2  PRO 163           HG2      PRO 163  20.773  13.228   3.116
 1264    HG3  PRO 163           HG1      PRO 163  20.048  14.327   1.926
 1265    HD2  PRO 163           HD2      PRO 163  21.009  11.522   1.579
 1266    HD3  PRO 163           HD1      PRO 163  19.618  12.340   0.841
 1267    H    LEU 164           HN       LEU 164  24.168  15.641  -0.243
 1268    HA   LEU 164           HA       LEU 164  25.800  14.010  -1.835
 1269    HB2  LEU 164           HB2      LEU 164  26.561  16.571  -0.441
 1270    HB3  LEU 164           HB1      LEU 164  27.366  15.859  -1.825
 1271    HG   LEU 164           HG       LEU 164  24.563  16.975  -1.782
 1272   HD11  LEU 164          HD11      LEU 164  25.462  18.721  -3.193
 1273   HD12  LEU 164          HD12      LEU 164  27.063  17.983  -3.122
 1274   HD13  LEU 164          HD13      LEU 164  26.339  18.659  -1.663
 1275   HD21  LEU 164          HD21      LEU 164  26.160  15.730  -4.018
 1276   HD22  LEU 164          HD22      LEU 164  24.666  16.641  -4.240
 1277   HD23  LEU 164          HD23      LEU 164  24.650  15.132  -3.327
 1278    H    PHE 165           HN       PHE 165  25.728  14.380   1.605
 1279    HA   PHE 165           HA       PHE 165  28.476  13.619   1.991
 1280    HB2  PHE 165           HB2      PHE 165  27.935  13.569   4.392
 1281    HB3  PHE 165           HB1      PHE 165  27.417  15.069   3.635
 1282    HD1  PHE 165           HD1      PHE 165  26.184  11.778   4.847
 1283    HD2  PHE 165           HD2      PHE 165  25.201  15.783   3.789
 1284    HE1  PHE 165           HE1      PHE 165  23.933  11.468   5.779
 1285    HE2  PHE 165           HE2      PHE 165  22.944  15.472   4.718
 1286    HZ   PHE 165           HZ       PHE 165  22.309  13.315   5.714
 1287    H    VAL 166           HN       VAL 166  25.595  11.930   1.401
 1288    HA   VAL 166           HA       VAL 166  26.073   9.576   2.891
 1289    HB   VAL 166           HB       VAL 166  24.509   9.890   0.323
 1290   HG11  VAL 166          HG11      VAL 166  25.103   7.560   0.786
 1291   HG12  VAL 166          HG12      VAL 166  23.373   7.836   0.992
 1292   HG13  VAL 166          HG13      VAL 166  24.422   7.710   2.406
 1293   HG21  VAL 166          HG21      VAL 166  22.551  10.002   1.819
 1294   HG22  VAL 166          HG22      VAL 166  23.661  11.352   2.052
 1295   HG23  VAL 166          HG23      VAL 166  23.638  10.018   3.207
 1296    H    ASN 167           HN       ASN 167  27.316   7.849   2.500
 1297    HA   ASN 167           HA       ASN 167  28.846   7.803  -0.007
 1298    HB2  ASN 167           HB2      ASN 167  30.752   6.931   1.266
 1299    HB3  ASN 167           HB1      ASN 167  30.228   8.474   1.928
 1300   HD21  ASN 167          HD21      ASN 167  31.733   6.256   3.129
 1301   HD22  ASN 167          HD22      ASN 167  30.852   5.823   4.554
 1302    H    GLU 168           HN       GLU 168  29.603   5.673  -0.663
 1303    HA   GLU 168           HA       GLU 168  27.580   3.760  -0.765
 1304    HB2  GLU 168           HB2      GLU 168  30.545   3.309  -1.137
 1305    HB3  GLU 168           HB1      GLU 168  29.260   2.267  -1.727
 1306    HG2  GLU 168           HG2      GLU 168  28.485   4.018  -3.208
 1307    HG3  GLU 168           HG1      GLU 168  29.719   5.112  -2.586
 1308    H    GLY 169           HN       GLY 169  26.880   2.322   0.662
 1309    HA2  GLY 169           HA2      GLY 169  27.387   0.459   2.124
 1310    HA3  GLY 169           HA1      GLY 169  28.763   1.371   2.722
 1311    H    ASP 170           HN       ASP 170  26.712   3.759   2.614
 1312    HA   ASP 170           HA       ASP 170  26.081   3.687   5.371
 1313    HB2  ASP 170           HB2      ASP 170  26.412   5.789   4.067
 1314    HB3  ASP 170           HB1      ASP 170  24.872   5.492   3.267
 1315    H    VAL 171           HN       VAL 171  24.196   3.252   6.441
 1316    HA   VAL 171           HA       VAL 171  22.236   1.703   4.975
 1317    HB   VAL 171           HB       VAL 171  22.905   0.759   7.067
 1318   HG11  VAL 171          HG11      VAL 171  22.046   3.343   8.359
 1319   HG12  VAL 171          HG12      VAL 171  23.693   2.726   8.226
 1320   HG13  VAL 171          HG13      VAL 171  22.513   1.879   9.224
 1321   HG21  VAL 171          HG21      VAL 171  20.589   0.410   6.476
 1322   HG22  VAL 171          HG22      VAL 171  20.129   1.914   7.275
 1323   HG23  VAL 171          HG23      VAL 171  20.741   0.561   8.227
 1324    H    LEU 172           HN       LEU 172  20.760   2.775   3.906
 1325    HA   LEU 172           HA       LEU 172  19.777   5.329   4.893
 1326    HB2  LEU 172           HB2      LEU 172  19.126   3.848   2.344
 1327    HB3  LEU 172           HB1      LEU 172  18.631   5.482   2.736
 1328    HG   LEU 172           HG       LEU 172  21.474   4.565   2.297
 1329   HD11  LEU 172          HD11      LEU 172  21.315   5.977   0.280
 1330   HD12  LEU 172          HD12      LEU 172  19.596   6.197   0.601
 1331   HD13  LEU 172          HD13      LEU 172  20.227   4.591   0.237
 1332   HD21  LEU 172          HD21      LEU 172  20.341   7.310   2.828
 1333   HD22  LEU 172          HD22      LEU 172  22.008   6.963   2.368
 1334   HD23  LEU 172          HD23      LEU 172  21.378   6.378   3.907
 1335    H    ILE 173           HN       ILE 173  18.075   5.366   6.190
 1336    HA   ILE 173           HA       ILE 173  16.136   3.188   6.107
 1337    HB   ILE 173           HB       ILE 173  16.248   5.621   7.904
 1338   HG12  ILE 173          HG12      ILE 173  16.911   2.709   8.421
 1339   HG13  ILE 173          HG11      ILE 173  18.060   4.041   8.355
 1340   HG21  ILE 173          HG21      ILE 173  13.957   4.876   7.582
 1341   HG22  ILE 173          HG22      ILE 173  14.502   4.476   9.211
 1342   HG23  ILE 173          HG23      ILE 173  14.418   3.220   7.976
 1343   HD11  ILE 173          HD11      ILE 173  17.579   3.370  10.645
 1344   HD12  ILE 173          HD12      ILE 173  15.870   3.718  10.391
 1345   HD13  ILE 173          HD13      ILE 173  17.052   5.024  10.336
 1346    H    ILE 174           HN       ILE 174  14.787   3.373   4.412
 1347    HA   ILE 174           HA       ILE 174  13.906   6.051   3.643
 1348    HB   ILE 174           HB       ILE 174  13.326   3.459   2.199
 1349   HG12  ILE 174          HG12      ILE 174  15.525   5.476   1.670
 1350   HG13  ILE 174          HG11      ILE 174  15.764   3.873   2.356
 1351   HG21  ILE 174          HG21      ILE 174  11.803   5.270   1.649
 1352   HG22  ILE 174          HG22      ILE 174  12.885   4.961   0.291
 1353   HG23  ILE 174          HG23      ILE 174  13.163   6.350   1.340
 1354   HD11  ILE 174          HD11      ILE 174  14.913   2.886   0.277
 1355   HD12  ILE 174          HD12      ILE 174  16.345   3.882   0.017
 1356   HD13  ILE 174          HD13      ILE 174  14.748   4.503  -0.404
 1357    H    ASN 175           HN       ASN 175  11.943   6.778   4.035
 1358    HA   ASN 175           HA       ASN 175  10.146   5.202   5.639
 1359    HB2  ASN 175           HB2      ASN 175  10.529   7.642   6.027
 1360    HB3  ASN 175           HB1      ASN 175   9.738   7.970   4.491
 1361   HD21  ASN 175          HD21      ASN 175   9.309   6.937   7.772
 1362   HD22  ASN 175          HD22      ASN 175   7.585   7.081   7.803
 1363    H    THR 176           HN       THR 176   9.465   3.552   4.287
 1364    HA   THR 176           HA       THR 176   8.501   3.855   1.667
 1365    HB   THR 176           HB       THR 176   7.519   1.736   3.567
 1366    HG1  THR 176           HG1      THR 176   9.460   0.901   3.632
 1367   HG21  THR 176          HG21      THR 176   7.614   0.348   1.516
 1368   HG22  THR 176          HG22      THR 176   8.079   1.782   0.603
 1369   HG23  THR 176          HG23      THR 176   6.498   1.707   1.381
 1370    H    GLY 177           HN       GLY 177   6.624   4.524   0.870
 1371    HA2  GLY 177           HA2      GLY 177   4.178   4.617   1.067
 1372    HA3  GLY 177           HA1      GLY 177   4.415   5.019   2.763
 1373    H    ASP 178           HN       ASP 178   6.473   6.857   2.554
 1374    HA   ASP 178           HA       ASP 178   5.145   9.055   1.127
 1375    HB2  ASP 178           HB2      ASP 178   5.383   9.347   3.568
 1376    HB3  ASP 178           HB1      ASP 178   7.130   9.216   3.405
 1377    H    GLY 179           HN       GLY 179   8.164   7.372   1.613
 1378    HA2  GLY 179           HA2      GLY 179   9.749   7.051  -0.100
 1379    HA3  GLY 179           HA1      GLY 179   9.134   8.483  -0.910
 1380    H    SER 180           HN       SER 180   9.568   8.964   2.387
 1381    HA   SER 180           HA       SER 180  11.492  10.971   2.052
 1382    HB2  SER 180           HB2      SER 180  11.110   9.592   4.684
 1383    HB3  SER 180           HB1      SER 180  11.285  11.311   4.342
 1384    HG   SER 180           HG       SER 180   9.144  11.052   3.245
 1385    H    TYR 181           HN       TYR 181  13.706  10.906   2.063
 1386    HA   TYR 181           HA       TYR 181  14.911   8.272   2.445
 1387    HB2  TYR 181           HB2      TYR 181  16.903   9.297   1.260
 1388    HB3  TYR 181           HB1      TYR 181  15.442   9.139   0.295
 1389    HD1  TYR 181           HD1      TYR 181  17.815  11.462   1.801
 1390    HD2  TYR 181           HD2      TYR 181  14.156  11.140  -0.345
 1391    HE1  TYR 181           HE1      TYR 181  17.958  13.844   1.211
 1392    HE2  TYR 181           HE2      TYR 181  14.288  13.523  -0.937
 1393    HH   TYR 181           HH       TYR 181  15.344  15.577  -0.069
 1394    H    ILE 182           HN       ILE 182  15.659   7.896   4.411
 1395    HA   ILE 182           HA       ILE 182  16.980  10.099   5.856
 1396    HB   ILE 182           HB       ILE 182  15.857   7.495   6.928
 1397   HG12  ILE 182          HG12      ILE 182  14.450   9.191   8.290
 1398   HG13  ILE 182          HG11      ILE 182  14.929  10.359   7.067
 1399   HG21  ILE 182          HG21      ILE 182  17.857   8.093   8.152
 1400   HG22  ILE 182          HG22      ILE 182  16.431   8.361   9.153
 1401   HG23  ILE 182          HG23      ILE 182  17.246   9.729   8.398
 1402   HD11  ILE 182          HD11      ILE 182  13.400   7.812   6.579
 1403   HD12  ILE 182          HD12      ILE 182  13.880   8.978   5.345
 1404   HD13  ILE 182          HD13      ILE 182  12.733   9.444   6.602
 1405    H    SER 183           HN       SER 183  19.108   9.942   6.370
 1406    HA   SER 183           HA       SER 183  20.516   7.523   5.456
 1407    HB2  SER 183           HB2      SER 183  21.023   9.529   4.122
 1408    HB3  SER 183           HB1      SER 183  21.493  10.390   5.583
 1409    HG   SER 183           HG       SER 183  22.776   7.961   4.919
 1410    H    ARG 184           HN       ARG 184  22.576   7.075   6.596
 1411    HA   ARG 184           HA       ARG 184  23.930   6.817   8.387
 1412    HB2  ARG 184           HB2      ARG 184  22.527   9.239   9.525
 1413    HB3  ARG 184           HB1      ARG 184  23.999   8.518  10.158
 1414    HG2  ARG 184           HG2      ARG 184  23.662   9.830   7.470
 1415    HG3  ARG 184           HG1      ARG 184  24.518  10.487   8.866
 1416    HD2  ARG 184           HD2      ARG 184  26.049   8.526   8.761
 1417    HD3  ARG 184           HD1      ARG 184  25.252   8.045   7.264
 1418    HE   ARG 184           HE       ARG 184  26.373  10.729   7.368
 1419   HH11  ARG 184          HH11      ARG 184  26.627   7.427   6.237
 1420   HH12  ARG 184          HH12      ARG 184  27.903   7.785   5.102
 1421   HH21  ARG 184          HH21      ARG 184  28.019  11.210   5.880
 1422   HH22  ARG 184          HH22      ARG 184  28.688   9.948   4.895
 1423    H    GLY 185           HN       GLY 185  21.195   5.640   8.232
 1424    HA2  GLY 185           HA2      GLY 185  19.938   4.198   9.494
 1425    HA3  GLY 185           HA1      GLY 185  21.297   4.156  10.604
  Start of MODEL    3
    1    H1   MET   1           HT1      MET   1 -25.775  -7.556   5.349
    2    H2   MET   1           HT2      MET   1 -24.184  -7.198   4.912
    3    H3   MET   1           HT3      MET   1 -25.121  -8.200   3.928
    4    HA   MET   1           HA       MET   1 -24.951  -6.023   2.958
    5    HB2  MET   1           HB2      MET   1 -27.648  -6.789   4.069
    6    HB3  MET   1           HB1      MET   1 -27.439  -5.471   2.924
    7    HG2  MET   1           HG2      MET   1 -26.636  -8.329   2.430
    8    HG3  MET   1           HG1      MET   1 -28.128  -7.581   1.865
    9    HE1  MET   1           HE1      MET   1 -27.488  -8.378  -0.627
   10    HE2  MET   1           HE2      MET   1 -25.997  -9.081  -0.005
   11    HE3  MET   1           HE3      MET   1 -25.947  -7.996  -1.394
   12    H    ILE   2           HN       ILE   2 -25.162  -3.804   3.076
   13    HA   ILE   2           HA       ILE   2 -25.351  -2.702   5.805
   14    HB   ILE   2           HB       ILE   2 -24.026  -1.487   3.375
   15   HG12  ILE   2          HG12      ILE   2 -22.812  -3.471   4.149
   16   HG13  ILE   2          HG11      ILE   2 -21.895  -2.002   4.458
   17   HG21  ILE   2          HG21      ILE   2 -23.993  -0.620   6.259
   18   HG22  ILE   2          HG22      ILE   2 -24.823   0.194   4.933
   19   HG23  ILE   2          HG23      ILE   2 -23.062   0.118   4.955
   20   HD11  ILE   2          HD11      ILE   2 -21.725  -3.507   6.329
   21   HD12  ILE   2          HD12      ILE   2 -23.481  -3.576   6.469
   22   HD13  ILE   2          HD13      ILE   2 -22.629  -2.067   6.799
   23    H    SER   3           HN       SER   3 -26.694  -0.946   6.172
   24    HA   SER   3           HA       SER   3 -28.695  -0.410   4.110
   25    HB2  SER   3           HB2      SER   3 -29.453  -0.951   6.413
   26    HB3  SER   3           HB1      SER   3 -28.578   0.452   7.022
   27    HG   SER   3           HG       SER   3 -30.961   0.309   5.582
   28    H    VAL   4           HN       VAL   4 -29.265   1.810   3.600
   29    HA   VAL   4           HA       VAL   4 -26.968   3.450   3.172
   30    HB   VAL   4           HB       VAL   4 -28.490   5.061   2.149
   31   HG11  VAL   4          HG11      VAL   4 -29.140   2.218   1.389
   32   HG12  VAL   4          HG12      VAL   4 -27.758   3.158   0.824
   33   HG13  VAL   4          HG13      VAL   4 -29.395   3.641   0.378
   34   HG21  VAL   4          HG21      VAL   4 -30.357   4.877   3.715
   35   HG22  VAL   4          HG22      VAL   4 -30.708   3.256   3.117
   36   HG23  VAL   4          HG23      VAL   4 -30.903   4.649   2.052
   37    H    ASN   5           HN       ASN   5 -28.659   2.932   5.892
   38    HA   ASN   5           HA       ASN   5 -28.315   5.670   6.891
   39    HB2  ASN   5           HB2      ASN   5 -29.887   3.343   8.016
   40    HB3  ASN   5           HB1      ASN   5 -29.709   4.900   8.815
   41   HD21  ASN   5          HD21      ASN   5 -32.075   3.474   7.806
   42   HD22  ASN   5          HD22      ASN   5 -32.859   4.583   6.736
   43    H    ASP   6           HN       ASP   6 -26.401   3.183   6.527
   44    HA   ASP   6           HA       ASP   6 -25.185   3.484   9.195
   45    HB2  ASP   6           HB2      ASP   6 -25.411   0.968   7.541
   46    HB3  ASP   6           HB1      ASP   6 -24.266   1.138   8.864
   47    H    PHE   7           HN       PHE   7 -23.858   5.122   8.400
   48    HA   PHE   7           HA       PHE   7 -21.515   4.089   6.991
   49    HB2  PHE   7           HB2      PHE   7 -22.995   6.635   6.302
   50    HB3  PHE   7           HB1      PHE   7 -21.340   6.334   5.797
   51    HD1  PHE   7           HD1      PHE   7 -24.772   5.930   4.984
   52    HD2  PHE   7           HD2      PHE   7 -20.919   4.207   4.404
   53    HE1  PHE   7           HE1      PHE   7 -25.595   4.761   2.990
   54    HE2  PHE   7           HE2      PHE   7 -21.745   3.036   2.406
   55    HZ   PHE   7           HZ       PHE   7 -24.085   3.310   1.699
   56    H    LYS   8           HN       LYS   8 -19.556   5.205   7.546
   57    HA   LYS   8           HA       LYS   8 -19.751   7.197   9.665
   58    HB2  LYS   8           HB2      LYS   8 -18.101   5.998  11.075
   59    HB3  LYS   8           HB1      LYS   8 -19.629   5.144  10.931
   60    HG2  LYS   8           HG2      LYS   8 -18.674   3.629   9.323
   61    HG3  LYS   8           HG1      LYS   8 -17.150   4.515   9.349
   62    HD2  LYS   8           HD2      LYS   8 -16.898   2.571  10.720
   63    HD3  LYS   8           HD1      LYS   8 -16.969   3.977  11.782
   64    HE2  LYS   8           HE2      LYS   8 -19.316   3.508  12.257
   65    HE3  LYS   8           HE1      LYS   8 -19.270   2.128  11.162
   66    HZ1  LYS   8           HZ1      LYS   8 -17.660   2.412  13.641
   67    HZ2  LYS   8           HZ2      LYS   8 -17.635   1.082  12.600
   68    HZ3  LYS   8           HZ3      LYS   8 -19.038   1.448  13.472
   69    H    THR   9           HN       THR   9 -17.324   7.777  10.313
   70    HA   THR   9           HA       THR   9 -16.209   9.084   8.139
   71    HB   THR   9           HB       THR   9 -14.117   9.170   9.693
   72    HG1  THR   9           HG1      THR   9 -14.809   7.377  11.003
   73   HG21  THR   9          HG21      THR   9 -16.783  10.302  10.544
   74   HG22  THR   9          HG22      THR   9 -15.669  11.024   9.383
   75   HG23  THR   9          HG23      THR   9 -15.206  10.882  11.078
   76    H    GLY  10           HN       GLY  10 -15.873   5.773   8.932
   77    HA2  GLY  10           HA2      GLY  10 -14.336   5.437   6.527
   78    HA3  GLY  10           HA1      GLY  10 -13.487   4.937   7.981
   79    H    LEU  11           HN       LEU  11 -15.506   3.970   5.550
   80    HA   LEU  11           HA       LEU  11 -15.756   1.356   6.788
   81    HB2  LEU  11           HB2      LEU  11 -18.039   3.098   6.074
   82    HB3  LEU  11           HB1      LEU  11 -18.155   1.431   5.539
   83    HG   LEU  11           HG       LEU  11 -17.737   2.310   8.396
   84   HD11  LEU  11          HD11      LEU  11 -20.188   1.249   6.992
   85   HD12  LEU  11          HD12      LEU  11 -19.960   2.887   7.607
   86   HD13  LEU  11          HD13      LEU  11 -20.042   1.528   8.728
   87   HD21  LEU  11          HD21      LEU  11 -18.231  -0.418   7.213
   88   HD22  LEU  11          HD22      LEU  11 -18.183  -0.038   8.934
   89   HD23  LEU  11          HD23      LEU  11 -16.733   0.145   7.951
   90    H    THR  12           HN       THR  12 -15.555  -0.309   5.340
   91    HA   THR  12           HA       THR  12 -14.842   0.510   2.633
   92    HB   THR  12           HB       THR  12 -14.466  -2.260   3.738
   93    HG1  THR  12           HG1      THR  12 -13.147  -1.396   5.153
   94   HG21  THR  12          HG21      THR  12 -12.617  -2.324   2.169
   95   HG22  THR  12          HG22      THR  12 -12.877  -0.630   1.753
   96   HG23  THR  12          HG23      THR  12 -14.087  -1.839   1.323
   97    H    ILE  13           HN       ILE  13 -16.280   0.366   1.089
   98    HA   ILE  13           HA       ILE  13 -18.414  -1.654   1.275
   99    HB   ILE  13           HB       ILE  13 -18.583   1.249   0.530
  100   HG12  ILE  13          HG12      ILE  13 -20.779   0.964   1.830
  101   HG13  ILE  13          HG11      ILE  13 -20.154  -0.612   2.300
  102   HG21  ILE  13          HG21      ILE  13 -19.487   0.142  -1.415
  103   HG22  ILE  13          HG22      ILE  13 -20.788   0.888  -0.487
  104   HG23  ILE  13          HG23      ILE  13 -20.527  -0.853  -0.397
  105   HD11  ILE  13          HD11      ILE  13 -18.927   2.064   2.899
  106   HD12  ILE  13          HD12      ILE  13 -18.192   0.510   3.291
  107   HD13  ILE  13          HD13      ILE  13 -19.723   0.977   4.037
  108    H    SER  14           HN       SER  14 -18.916  -2.774  -0.582
  109    HA   SER  14           HA       SER  14 -17.045  -2.407  -2.806
  110    HB2  SER  14           HB2      SER  14 -17.118  -4.650  -1.812
  111    HB3  SER  14           HB1      SER  14 -18.849  -4.745  -2.128
  112    HG   SER  14           HG       SER  14 -16.971  -5.540  -3.710
  113    H    VAL  15           HN       VAL  15 -17.715  -1.346  -4.523
  114    HA   VAL  15           HA       VAL  15 -20.356  -1.764  -5.598
  115    HB   VAL  15           HB       VAL  15 -20.764   0.044  -3.978
  116   HG11  VAL  15          HG11      VAL  15 -18.569   1.049  -3.891
  117   HG12  VAL  15          HG12      VAL  15 -19.781   2.261  -4.306
  118   HG13  VAL  15          HG13      VAL  15 -18.730   1.601  -5.559
  119   HG21  VAL  15          HG21      VAL  15 -21.796   1.657  -5.513
  120   HG22  VAL  15          HG22      VAL  15 -22.101  -0.011  -5.996
  121   HG23  VAL  15          HG23      VAL  15 -20.892   0.947  -6.850
  122    H    ASP  16           HN       ASP  16 -20.485  -1.235  -7.790
  123    HA   ASP  16           HA       ASP  16 -19.707  -1.078  -9.917
  124    HB2  ASP  16           HB2      ASP  16 -17.816   0.868  -8.593
  125    HB3  ASP  16           HB1      ASP  16 -17.746   0.525 -10.317
  126    H    ASN  17           HN       ASN  17 -18.733  -3.134  -8.098
  127    HA   ASN  17           HA       ASN  17 -17.277  -4.860  -8.035
  128    HB2  ASN  17           HB2      ASN  17 -16.868  -3.864 -10.810
  129    HB3  ASN  17           HB1      ASN  17 -15.759  -5.074 -10.173
  130   HD21  ASN  17          HD21      ASN  17 -16.506  -7.135  -9.733
  131   HD22  ASN  17          HD22      ASN  17 -18.029  -7.710 -10.316
  132    H    ALA  18           HN       ALA  18 -16.503  -2.135  -7.106
  133    HA   ALA  18           HA       ALA  18 -13.658  -2.772  -6.790
  134    HB1  ALA  18           HB1      ALA  18 -13.132  -0.371  -6.751
  135    HB2  ALA  18           HB2      ALA  18 -14.812  -0.013  -7.163
  136    HB3  ALA  18           HB3      ALA  18 -13.790  -0.877  -8.308
  137    H    ILE  19           HN       ILE  19 -12.756  -1.911  -4.794
  138    HA   ILE  19           HA       ILE  19 -14.797  -1.848  -2.687
  139    HB   ILE  19           HB       ILE  19 -12.938  -2.523  -1.153
  140   HG12  ILE  19          HG12      ILE  19 -11.481  -2.890  -3.782
  141   HG13  ILE  19          HG11      ILE  19 -11.023  -1.814  -2.468
  142   HG21  ILE  19          HG21      ILE  19 -13.590  -4.374  -3.441
  143   HG22  ILE  19          HG22      ILE  19 -14.561  -4.120  -1.991
  144   HG23  ILE  19          HG23      ILE  19 -12.970  -4.870  -1.867
  145   HD11  ILE  19          HD11      ILE  19  -9.636  -3.809  -2.533
  146   HD12  ILE  19          HD12      ILE  19 -11.071  -4.817  -2.340
  147   HD13  ILE  19          HD13      ILE  19 -10.576  -3.728  -1.043
  148    H    TRP  20           HN       TRP  20 -15.081  -0.048  -1.575
  149    HA   TRP  20           HA       TRP  20 -13.100   2.102  -1.923
  150    HB2  TRP  20           HB2      TRP  20 -16.089   2.449  -1.690
  151    HB3  TRP  20           HB1      TRP  20 -14.902   3.699  -2.032
  152    HD1  TRP  20           HD1      TRP  20 -16.425   0.562  -3.697
  153    HE1  TRP  20           HE1      TRP  20 -16.317   0.865  -6.239
  154    HE3  TRP  20           HE3      TRP  20 -13.852   4.973  -3.863
  155    HZ2  TRP  20           HZ2      TRP  20 -15.264   2.730  -8.083
  156    HZ3  TRP  20           HZ3      TRP  20 -13.337   5.951  -6.060
  157    HH2  TRP  20           HH2      TRP  20 -14.029   4.852  -8.126
  158    H    LYS  21           HN       LYS  21 -13.301   3.826  -0.271
  159    HA   LYS  21           HA       LYS  21 -14.080   2.745   2.346
  160    HB2  LYS  21           HB2      LYS  21 -11.626   2.614   2.007
  161    HB3  LYS  21           HB1      LYS  21 -11.596   4.349   1.733
  162    HG2  LYS  21           HG2      LYS  21 -12.447   4.692   4.025
  163    HG3  LYS  21           HG1      LYS  21 -12.362   2.949   4.286
  164    HD2  LYS  21           HD2      LYS  21 -10.037   4.750   3.605
  165    HD3  LYS  21           HD1      LYS  21 -10.399   4.097   5.202
  166    HE2  LYS  21           HE2      LYS  21 -10.106   1.822   4.324
  167    HE3  LYS  21           HE1      LYS  21  -9.728   2.490   2.737
  168    HZ1  LYS  21           HZ1      LYS  21  -7.735   1.900   3.988
  169    HZ2  LYS  21           HZ2      LYS  21  -8.164   2.986   5.209
  170    HZ3  LYS  21           HZ3      LYS  21  -7.788   3.560   3.665
  171    H    VAL  22           HN       VAL  22 -15.823   3.919   2.801
  172    HA   VAL  22           HA       VAL  22 -16.284   6.577   1.997
  173    HB   VAL  22           HB       VAL  22 -17.521   5.010   4.266
  174   HG11  VAL  22          HG11      VAL  22 -17.794   7.369   4.716
  175   HG12  VAL  22          HG12      VAL  22 -19.331   6.712   4.157
  176   HG13  VAL  22          HG13      VAL  22 -18.324   7.660   3.060
  177   HG21  VAL  22          HG21      VAL  22 -17.902   4.075   2.030
  178   HG22  VAL  22          HG22      VAL  22 -18.521   5.634   1.487
  179   HG23  VAL  22          HG23      VAL  22 -19.389   4.723   2.722
  180    H    ILE  23           HN       ILE  23 -14.963   8.122   2.494
  181    HA   ILE  23           HA       ILE  23 -13.645   8.279   5.062
  182    HB   ILE  23           HB       ILE  23 -13.607  10.175   2.713
  183   HG12  ILE  23          HG12      ILE  23 -12.735   7.954   2.158
  184   HG13  ILE  23          HG11      ILE  23 -11.451   9.157   2.167
  185   HG21  ILE  23          HG21      ILE  23 -11.572  11.094   3.733
  186   HG22  ILE  23          HG22      ILE  23 -11.802  10.038   5.125
  187   HG23  ILE  23          HG23      ILE  23 -12.980  11.302   4.775
  188   HD11  ILE  23          HD11      ILE  23 -12.034   7.132   4.315
  189   HD12  ILE  23          HD12      ILE  23 -10.793   8.380   4.413
  190   HD13  ILE  23          HD13      ILE  23 -10.680   7.119   3.185
  191    H    ASP  24           HN       ASP  24 -16.255   9.770   3.307
  192    HA   ASP  24           HA       ASP  24 -17.289  10.934   5.744
  193    HB2  ASP  24           HB2      ASP  24 -15.876  12.757   4.965
  194    HB3  ASP  24           HB1      ASP  24 -16.579  12.653   3.357
  195    H    PHE  25           HN       PHE  25 -19.552  11.343   5.594
  196    HA   PHE  25           HA       PHE  25 -20.767  10.547   3.054
  197    HB2  PHE  25           HB2      PHE  25 -22.205   8.931   4.027
  198    HB3  PHE  25           HB1      PHE  25 -20.602   8.573   4.649
  199    HD1  PHE  25           HD1      PHE  25 -20.020   9.423   6.985
  200    HD2  PHE  25           HD2      PHE  25 -23.990   9.289   5.460
  201    HE1  PHE  25           HE1      PHE  25 -20.904   9.512   9.278
  202    HE2  PHE  25           HE2      PHE  25 -24.878   9.378   7.750
  203    HZ   PHE  25           HZ       PHE  25 -23.334   9.491   9.663
  204    H    GLN  26           HN       GLN  26 -22.663  11.557   2.570
  205    HA   GLN  26           HA       GLN  26 -23.788  13.351   4.617
  206    HB2  GLN  26           HB2      GLN  26 -22.603  14.638   2.917
  207    HB3  GLN  26           HB1      GLN  26 -23.490  13.809   1.644
  208    HG2  GLN  26           HG2      GLN  26 -25.584  14.790   2.545
  209    HG3  GLN  26           HG1      GLN  26 -24.608  15.716   3.684
  210   HE21  GLN  26          HE21      GLN  26 -22.459  16.072   1.726
  211   HE22  GLN  26          HE22      GLN  26 -23.021  17.281   0.627
  212    H    HIS  27           HN       HIS  27 -25.629  12.315   5.236
  213    HA   HIS  27           HA       HIS  27 -27.242  10.831   3.388
  214    HB2  HIS  27           HB2      HIS  27 -27.116  10.380   5.871
  215    HB3  HIS  27           HB1      HIS  27 -28.058  11.846   6.119
  216    HD1  HIS  27           HD1      HIS  27 -28.370   8.275   5.311
  217    HD2  HIS  27           HD2      HIS  27 -30.762  11.669   5.108
  218    HE1  HIS  27           HE1      HIS  27 -30.712   7.432   4.987
  219    HE2  HIS  27           HE2      HIS  27 -32.159   9.488   5.063
  220    H    VAL  28           HN       VAL  28 -27.825  12.153   1.736
  221    HA   VAL  28           HA       VAL  28 -28.911  14.790   2.335
  222    HB   VAL  28           HB       VAL  28 -27.183  14.804   0.670
  223   HG11  VAL  28          HG11      VAL  28 -28.844  12.804  -0.855
  224   HG12  VAL  28          HG12      VAL  28 -27.269  12.520  -0.109
  225   HG13  VAL  28          HG13      VAL  28 -27.408  13.618  -1.481
  226   HG21  VAL  28          HG21      VAL  28 -28.996  16.383   0.323
  227   HG22  VAL  28          HG22      VAL  28 -29.871  15.192  -0.638
  228   HG23  VAL  28          HG23      VAL  28 -28.341  15.843  -1.223
  229    H    LYS  29           HN       LYS  29 -30.974  15.275   2.195
  230    HA   LYS  29           HA       LYS  29 -32.766  13.382   0.848
  231    HB2  LYS  29           HB2      LYS  29 -34.440  14.045   2.696
  232    HB3  LYS  29           HB1      LYS  29 -33.178  12.886   3.083
  233    HG2  LYS  29           HG2      LYS  29 -31.853  14.757   4.057
  234    HG3  LYS  29           HG1      LYS  29 -33.250  15.806   3.805
  235    HD2  LYS  29           HD2      LYS  29 -34.591  14.460   5.278
  236    HD3  LYS  29           HD1      LYS  29 -33.305  13.261   5.422
  237    HE2  LYS  29           HE2      LYS  29 -31.871  14.965   6.471
  238    HE3  LYS  29           HE1      LYS  29 -33.197  16.119   6.375
  239    HZ1  LYS  29           HZ1      LYS  29 -34.506  14.666   7.801
  240    HZ2  LYS  29           HZ2      LYS  29 -33.068  15.128   8.562
  241    HZ3  LYS  29           HZ3      LYS  29 -33.217  13.575   7.907
  242    HA   PRO  30           HA       PRO  30 -33.538  17.233  -1.382
  243    HB2  PRO  30           HB2      PRO  30 -35.293  15.340  -2.846
  244    HB3  PRO  30           HB1      PRO  30 -34.089  16.473  -3.470
  245    HG2  PRO  30           HG2      PRO  30 -33.591  13.857  -3.403
  246    HG3  PRO  30           HG1      PRO  30 -32.320  15.039  -3.033
  247    HD2  PRO  30           HD2      PRO  30 -33.927  13.335  -1.170
  248    HD3  PRO  30           HD1      PRO  30 -32.209  13.780  -1.096
  249    H    GLY  31           HN       GLY  31 -36.091  14.855  -0.625
  250    HA2  GLY  31           HA2      GLY  31 -37.786  15.579   1.006
  251    HA3  GLY  31           HA1      GLY  31 -37.776  17.138   0.201
  252    H    LYS  32           HN       LYS  32 -37.495  14.793  -2.119
  253    HA   LYS  32           HA       LYS  32 -40.260  15.146  -2.902
  254    HB2  LYS  32           HB2      LYS  32 -38.385  15.311  -4.543
  255    HB3  LYS  32           HB1      LYS  32 -38.064  13.601  -4.295
  256    HG2  LYS  32           HG2      LYS  32 -40.290  13.058  -5.133
  257    HG3  LYS  32           HG1      LYS  32 -40.613  14.774  -5.384
  258    HD2  LYS  32           HD2      LYS  32 -38.809  14.894  -7.009
  259    HD3  LYS  32           HD1      LYS  32 -38.415  13.196  -6.721
  260    HE2  LYS  32           HE2      LYS  32 -40.656  12.562  -7.500
  261    HE3  LYS  32           HE1      LYS  32 -41.012  14.258  -7.822
  262    HZ1  LYS  32           HZ1      LYS  32 -40.354  13.076  -9.822
  263    HZ2  LYS  32           HZ2      LYS  32 -38.867  12.672  -9.127
  264    HZ3  LYS  32           HZ3      LYS  32 -39.239  14.290  -9.450
  265    H    GLY  33           HN       GLY  33 -38.449  12.911  -1.120
  266    HA2  GLY  33           HA2      GLY  33 -40.219  11.419   0.031
  267    HA3  GLY  33           HA1      GLY  33 -40.422  10.779  -1.591
  268    H    SER  34           HN       SER  34 -37.719  10.777  -2.388
  269    HA   SER  34           HA       SER  34 -36.836   8.477  -0.804
  270    HB2  SER  34           HB2      SER  34 -35.933   9.325  -3.566
  271    HB3  SER  34           HB1      SER  34 -35.591   7.790  -2.763
  272    HG   SER  34           HG       SER  34 -37.823   7.333  -2.818
  273    H    ALA  35           HN       ALA  35 -34.952   8.453   0.275
  274    HA   ALA  35           HA       ALA  35 -33.347  10.901   0.218
  275    HB1  ALA  35           HB1      ALA  35 -34.182  10.205   2.396
  276    HB2  ALA  35           HB2      ALA  35 -32.421  10.152   2.335
  277    HB3  ALA  35           HB3      ALA  35 -33.354   8.657   2.226
  278    H    PHE  36           HN       PHE  36 -31.068  10.789   0.200
  279    HA   PHE  36           HA       PHE  36 -29.939   8.335  -0.931
  280    HB2  PHE  36           HB2      PHE  36 -29.474  11.130  -2.011
  281    HB3  PHE  36           HB1      PHE  36 -28.688   9.664  -2.586
  282    HD1  PHE  36           HD1      PHE  36 -31.808  11.580  -2.515
  283    HD2  PHE  36           HD2      PHE  36 -29.858   8.094  -3.990
  284    HE1  PHE  36           HE1      PHE  36 -33.635  11.242  -4.127
  285    HE2  PHE  36           HE2      PHE  36 -31.684   7.751  -5.602
  286    HZ   PHE  36           HZ       PHE  36 -33.575   9.326  -5.671
  287    H    VAL  37           HN       VAL  37 -27.488   8.474  -0.893
  288    HA   VAL  37           HA       VAL  37 -26.555  10.202   1.292
  289    HB   VAL  37           HB       VAL  37 -25.727   7.317   0.933
  290   HG11  VAL  37          HG11      VAL  37 -24.542   7.620   3.052
  291   HG12  VAL  37          HG12      VAL  37 -25.006   9.323   3.061
  292   HG13  VAL  37          HG13      VAL  37 -23.933   8.708   1.802
  293   HG21  VAL  37          HG21      VAL  37 -28.000   7.474   1.792
  294   HG22  VAL  37          HG22      VAL  37 -27.452   8.568   3.061
  295   HG23  VAL  37          HG23      VAL  37 -26.893   6.896   3.037
  296    H    ARG  38           HN       ARG  38 -25.370  11.616   0.229
  297    HA   ARG  38           HA       ARG  38 -23.679  10.859  -1.989
  298    HB2  ARG  38           HB2      ARG  38 -24.938  13.073  -1.791
  299    HB3  ARG  38           HB1      ARG  38 -23.765  13.518  -0.555
  300    HG2  ARG  38           HG2      ARG  38 -21.956  13.295  -2.176
  301    HG3  ARG  38           HG1      ARG  38 -23.122  12.833  -3.418
  302    HD2  ARG  38           HD2      ARG  38 -24.251  15.021  -3.092
  303    HD3  ARG  38           HD1      ARG  38 -22.970  15.473  -1.969
  304    HE   ARG  38           HE       ARG  38 -21.910  14.657  -4.481
  305   HH11  ARG  38          HH11      ARG  38 -23.488  17.335  -2.872
  306   HH12  ARG  38          HH12      ARG  38 -22.814  18.536  -3.926
  307   HH21  ARG  38          HH21      ARG  38 -21.012  16.239  -5.868
  308   HH22  ARG  38          HH22      ARG  38 -21.404  17.910  -5.625
  309    H    SER  39           HN       SER  39 -22.005   9.614  -1.334
  310    HA   SER  39           HA       SER  39 -20.581  10.439   1.097
  311    HB2  SER  39           HB2      SER  39 -19.792   8.028   1.113
  312    HB3  SER  39           HB1      SER  39 -21.519   8.263   1.392
  313    HG   SER  39           HG       SER  39 -20.651   7.905  -1.238
  314    H    LYS  40           HN       LYS  40 -18.445  10.783   1.085
  315    HA   LYS  40           HA       LYS  40 -17.048  10.668  -1.481
  316    HB2  LYS  40           HB2      LYS  40 -16.401  12.043   1.129
  317    HB3  LYS  40           HB1      LYS  40 -15.236  11.906  -0.180
  318    HG2  LYS  40           HG2      LYS  40 -16.713  13.142  -1.659
  319    HG3  LYS  40           HG1      LYS  40 -17.927  13.243  -0.383
  320    HD2  LYS  40           HD2      LYS  40 -16.486  14.601   0.965
  321    HD3  LYS  40           HD1      LYS  40 -15.135  14.355  -0.143
  322    HE2  LYS  40           HE2      LYS  40 -17.716  15.718  -0.894
  323    HE3  LYS  40           HE1      LYS  40 -16.270  16.572  -0.360
  324    HZ1  LYS  40           HZ1      LYS  40 -16.446  14.818  -2.759
  325    HZ2  LYS  40           HZ2      LYS  40 -15.072  15.660  -2.244
  326    HZ3  LYS  40           HZ3      LYS  40 -16.432  16.511  -2.771
  327    H    LEU  41           HN       LEU  41 -15.855   8.943  -1.909
  328    HA   LEU  41           HA       LEU  41 -14.733   7.440   0.313
  329    HB2  LEU  41           HB2      LEU  41 -15.647   5.336  -0.404
  330    HB3  LEU  41           HB1      LEU  41 -16.953   6.473  -0.141
  331    HG   LEU  41           HG       LEU  41 -15.902   5.506  -2.808
  332   HD11  LEU  41          HD11      LEU  41 -18.081   4.496  -3.037
  333   HD12  LEU  41          HD12      LEU  41 -18.590   5.171  -1.490
  334   HD13  LEU  41          HD13      LEU  41 -17.327   3.944  -1.541
  335   HD21  LEU  41          HD21      LEU  41 -16.539   7.821  -3.071
  336   HD22  LEU  41          HD22      LEU  41 -18.059   7.531  -2.226
  337   HD23  LEU  41          HD23      LEU  41 -17.767   6.786  -3.798
  338    H    ARG  42           HN       ARG  42 -12.949   6.265  -0.117
  339    HA   ARG  42           HA       ARG  42 -11.573   7.025  -2.585
  340    HB2  ARG  42           HB2      ARG  42 -10.428   7.649  -0.549
  341    HB3  ARG  42           HB1      ARG  42 -10.579   6.019   0.091
  342    HG2  ARG  42           HG2      ARG  42  -9.162   5.274  -1.879
  343    HG3  ARG  42           HG1      ARG  42  -8.823   6.983  -2.144
  344    HD2  ARG  42           HD2      ARG  42  -8.270   5.453   0.397
  345    HD3  ARG  42           HD1      ARG  42  -7.072   5.878  -0.823
  346    HE   ARG  42           HE       ARG  42  -8.526   8.112   0.318
  347   HH11  ARG  42          HH11      ARG  42  -5.683   6.076   0.496
  348   HH12  ARG  42          HH12      ARG  42  -4.744   7.243   1.366
  349   HH21  ARG  42          HH21      ARG  42  -7.289   9.651   1.480
  350   HH22  ARG  42          HH22      ARG  42  -5.658   9.276   1.929
  351    H    ASN  43           HN       ASN  43 -11.159   5.532  -4.138
  352    HA   ASN  43           HA       ASN  43 -11.814   2.786  -3.853
  353    HB2  ASN  43           HB2      ASN  43 -11.535   3.996  -6.076
  354    HB3  ASN  43           HB1      ASN  43  -9.797   3.898  -5.817
  355   HD21  ASN  43          HD21      ASN  43 -11.535   2.707  -7.886
  356   HD22  ASN  43          HD22      ASN  43 -11.193   1.011  -7.841
  357    H    LEU  44           HN       LEU  44 -10.799   1.368  -2.636
  358    HA   LEU  44           HA       LEU  44  -8.497   2.142  -1.168
  359    HB2  LEU  44           HB2      LEU  44 -10.468   0.761  -0.396
  360    HB3  LEU  44           HB1      LEU  44  -9.792  -0.567  -1.309
  361    HG   LEU  44           HG       LEU  44  -8.073   0.728   0.749
  362   HD11  LEU  44          HD11      LEU  44 -10.303  -1.217   1.335
  363   HD12  LEU  44          HD12      LEU  44 -10.201   0.453   1.894
  364   HD13  LEU  44          HD13      LEU  44  -9.036  -0.742   2.466
  365   HD21  LEU  44          HD21      LEU  44  -8.480  -2.119  -0.159
  366   HD22  LEU  44          HD22      LEU  44  -7.263  -1.560   0.989
  367   HD23  LEU  44          HD23      LEU  44  -7.192  -1.040  -0.695
  368    H    ARG  45           HN       ARG  45  -9.003   0.414  -4.080
  369    HA   ARG  45           HA       ARG  45  -6.510  -1.037  -3.966
  370    HB2  ARG  45           HB2      ARG  45  -8.407  -0.676  -6.293
  371    HB3  ARG  45           HB1      ARG  45  -7.100  -1.850  -6.184
  372    HG2  ARG  45           HG2      ARG  45  -8.261  -2.830  -4.200
  373    HG3  ARG  45           HG1      ARG  45  -9.620  -1.763  -4.551
  374    HD2  ARG  45           HD2      ARG  45 -10.088  -3.888  -5.514
  375    HD3  ARG  45           HD1      ARG  45  -9.723  -2.773  -6.830
  376    HE   ARG  45           HE       ARG  45  -7.385  -3.812  -6.652
  377   HH11  ARG  45          HH11      ARG  45 -10.390  -5.526  -6.082
  378   HH12  ARG  45          HH12      ARG  45  -9.727  -7.087  -6.485
  379   HH21  ARG  45          HH21      ARG  45  -6.508  -5.848  -7.179
  380   HH22  ARG  45          HH22      ARG  45  -7.515  -7.259  -7.121
  381    H    THR  46           HN       THR  46  -7.796   1.739  -5.770
  382    HA   THR  46           HA       THR  46  -5.207   2.089  -7.066
  383    HB   THR  46           HB       THR  46  -6.409   3.742  -8.479
  384    HG1  THR  46           HG1      THR  46  -8.835   3.490  -8.202
  385   HG21  THR  46          HG21      THR  46  -6.252   1.402  -9.170
  386   HG22  THR  46          HG22      THR  46  -7.787   2.107  -9.674
  387   HG23  THR  46          HG23      THR  46  -7.727   1.033  -8.274
  388    H    GLY  47           HN       GLY  47  -6.947   3.289  -4.441
  389    HA2  GLY  47           HA2      GLY  47  -6.452   4.974  -2.944
  390    HA3  GLY  47           HA1      GLY  47  -5.028   5.345  -3.905
  391    H    ALA  48           HN       ALA  48  -8.179   5.232  -5.369
  392    HA   ALA  48           HA       ALA  48  -7.816   7.984  -6.219
  393    HB1  ALA  48           HB1      ALA  48  -9.621   7.570  -7.759
  394    HB2  ALA  48           HB2      ALA  48  -9.978   6.032  -6.973
  395    HB3  ALA  48           HB3      ALA  48  -8.454   6.250  -7.836
  396    H    ILE  49           HN       ILE  49  -8.938   9.697  -5.556
  397    HA   ILE  49           HA       ILE  49 -10.891   9.341  -3.411
  398    HB   ILE  49           HB       ILE  49  -9.763  11.919  -4.500
  399   HG12  ILE  49          HG12      ILE  49  -7.933  10.525  -3.659
  400   HG13  ILE  49          HG11      ILE  49  -8.210  11.896  -2.592
  401   HG21  ILE  49          HG21      ILE  49 -11.148  11.290  -1.897
  402   HG22  ILE  49          HG22      ILE  49 -11.832  12.183  -3.254
  403   HG23  ILE  49          HG23      ILE  49 -10.475  12.856  -2.350
  404   HD11  ILE  49          HD11      ILE  49  -9.452  10.424  -1.070
  405   HD12  ILE  49          HD12      ILE  49  -7.783   9.908  -1.310
  406   HD13  ILE  49          HD13      ILE  49  -9.093   9.062  -2.131
  407    H    GLN  50           HN       GLN  50 -12.942   9.038  -4.084
  408    HA   GLN  50           HA       GLN  50 -14.011  10.888  -6.097
  409    HB2  GLN  50           HB2      GLN  50 -14.421   7.895  -6.061
  410    HB3  GLN  50           HB1      GLN  50 -15.348   9.007  -7.055
  411    HG2  GLN  50           HG2      GLN  50 -13.290   9.679  -8.202
  412    HG3  GLN  50           HG1      GLN  50 -12.381   8.533  -7.219
  413   HE21  GLN  50          HE21      GLN  50 -11.697   7.377  -9.003
  414   HE22  GLN  50          HE22      GLN  50 -12.756   6.352  -9.905
  415    H    GLU  51           HN       GLU  51 -16.525  10.576  -6.145
  416    HA   GLU  51           HA       GLU  51 -17.544   9.735  -3.547
  417    HB2  GLU  51           HB2      GLU  51 -19.088  11.673  -3.450
  418    HB3  GLU  51           HB1      GLU  51 -17.400  12.113  -3.267
  419    HG2  GLU  51           HG2      GLU  51 -18.676  12.281  -5.951
  420    HG3  GLU  51           HG1      GLU  51 -18.973  13.542  -4.753
  421    H    LYS  52           HN       LYS  52 -19.620   9.001  -3.524
  422    HA   LYS  52           HA       LYS  52 -20.989   8.701  -6.101
  423    HB2  LYS  52           HB2      LYS  52 -20.351   6.487  -4.139
  424    HB3  LYS  52           HB1      LYS  52 -21.516   6.327  -5.447
  425    HG2  LYS  52           HG2      LYS  52 -19.747   6.718  -7.077
  426    HG3  LYS  52           HG1      LYS  52 -18.577   6.898  -5.770
  427    HD2  LYS  52           HD2      LYS  52 -19.040   4.592  -5.060
  428    HD3  LYS  52           HD1      LYS  52 -20.181   4.419  -6.395
  429    HE2  LYS  52           HE2      LYS  52 -17.247   5.045  -6.696
  430    HE3  LYS  52           HE1      LYS  52 -17.958   3.443  -6.876
  431    HZ1  LYS  52           HZ1      LYS  52 -17.588   4.636  -8.994
  432    HZ2  LYS  52           HZ2      LYS  52 -18.733   5.786  -8.523
  433    HZ3  LYS  52           HZ3      LYS  52 -19.196   4.171  -8.751
  434    H    THR  53           HN       THR  53 -23.267   7.751  -5.653
  435    HA   THR  53           HA       THR  53 -24.232   8.790  -3.089
  436    HB   THR  53           HB       THR  53 -24.779  10.455  -4.778
  437    HG1  THR  53           HG1      THR  53 -26.997   8.930  -3.848
  438   HG21  THR  53          HG21      THR  53 -26.275   8.254  -6.202
  439   HG22  THR  53          HG22      THR  53 -24.799   9.036  -6.766
  440   HG23  THR  53          HG23      THR  53 -26.293   9.964  -6.637
  441    H    PHE  54           HN       PHE  54 -25.099   7.249  -1.947
  442    HA   PHE  54           HA       PHE  54 -26.138   4.852  -3.197
  443    HB2  PHE  54           HB2      PHE  54 -25.880   5.685  -0.301
  444    HB3  PHE  54           HB1      PHE  54 -26.518   4.129  -0.819
  445    HD1  PHE  54           HD1      PHE  54 -25.003   2.635  -2.223
  446    HD2  PHE  54           HD2      PHE  54 -23.580   6.002  -0.039
  447    HE1  PHE  54           HE1      PHE  54 -22.720   1.724  -2.311
  448    HE2  PHE  54           HE2      PHE  54 -21.295   5.094  -0.121
  449    HZ   PHE  54           HZ       PHE  54 -20.863   2.955  -1.261
  450    H    ARG  55           HN       ARG  55 -28.320   4.085  -2.812
  451    HA   ARG  55           HA       ARG  55 -30.185   6.340  -2.524
  452    HB2  ARG  55           HB2      ARG  55 -31.525   5.368  -4.351
  453    HB3  ARG  55           HB1      ARG  55 -29.914   5.840  -4.872
  454    HG2  ARG  55           HG2      ARG  55 -29.226   3.449  -4.610
  455    HG3  ARG  55           HG1      ARG  55 -30.925   3.060  -4.342
  456    HD2  ARG  55           HD2      ARG  55 -29.747   4.342  -6.803
  457    HD3  ARG  55           HD1      ARG  55 -30.317   2.682  -6.664
  458    HE   ARG  55           HE       ARG  55 -32.372   4.504  -5.978
  459   HH11  ARG  55          HH11      ARG  55 -30.655   3.188  -8.726
  460   HH12  ARG  55          HH12      ARG  55 -31.967   3.454  -9.830
  461   HH21  ARG  55          HH21      ARG  55 -34.101   4.849  -7.417
  462   HH22  ARG  55          HH22      ARG  55 -33.931   4.402  -9.085
  463    H    ALA  56           HN       ALA  56 -31.819   6.067  -1.188
  464    HA   ALA  56           HA       ALA  56 -32.158   3.747   0.373
  465    HB1  ALA  56           HB1      ALA  56 -34.033   6.062  -0.096
  466    HB2  ALA  56           HB2      ALA  56 -32.842   5.908   1.199
  467    HB3  ALA  56           HB3      ALA  56 -34.236   4.829   1.150
  468    H    GLY  57           HN       GLY  57 -33.575   2.076   0.241
  469    HA2  GLY  57           HA2      GLY  57 -35.489   0.986  -0.772
  470    HA3  GLY  57           HA1      GLY  57 -35.143   1.880  -2.246
  471    H    GLU  58           HN       GLU  58 -32.194   1.337  -1.680
  472    HA   GLU  58           HA       GLU  58 -32.169  -1.513  -2.400
  473    HB2  GLU  58           HB2      GLU  58 -30.571   0.725  -3.648
  474    HB3  GLU  58           HB1      GLU  58 -30.174  -0.977  -3.858
  475    HG2  GLU  58           HG2      GLU  58 -32.438  -1.338  -4.794
  476    HG3  GLU  58           HG1      GLU  58 -32.715   0.398  -4.692
  477    H    LYS  59           HN       LYS  59 -30.313  -2.674  -1.795
  478    HA   LYS  59           HA       LYS  59 -29.269  -1.732   0.749
  479    HB2  LYS  59           HB2      LYS  59 -28.437  -4.112   0.918
  480    HB3  LYS  59           HB1      LYS  59 -30.184  -3.925   0.814
  481    HG2  LYS  59           HG2      LYS  59 -30.026  -4.417  -1.617
  482    HG3  LYS  59           HG1      LYS  59 -28.311  -4.761  -1.389
  483    HD2  LYS  59           HD2      LYS  59 -28.816  -6.574   0.096
  484    HD3  LYS  59           HD1      LYS  59 -30.531  -6.159   0.091
  485    HE2  LYS  59           HE2      LYS  59 -28.939  -7.082  -2.299
  486    HE3  LYS  59           HE1      LYS  59 -30.043  -8.082  -1.356
  487    HZ1  LYS  59           HZ1      LYS  59 -31.849  -6.581  -1.982
  488    HZ2  LYS  59           HZ2      LYS  59 -31.120  -7.272  -3.342
  489    HZ3  LYS  59           HZ3      LYS  59 -30.781  -5.671  -2.922
  490    H    VAL  60           HN       VAL  60 -27.076  -1.833   1.311
  491    HA   VAL  60           HA       VAL  60 -25.281  -1.282  -0.944
  492    HB   VAL  60           HB       VAL  60 -24.996  -0.580   1.986
  493   HG11  VAL  60          HG11      VAL  60 -22.829  -0.863   0.921
  494   HG12  VAL  60          HG12      VAL  60 -23.134   0.838   1.269
  495   HG13  VAL  60          HG13      VAL  60 -23.309   0.229  -0.377
  496   HG21  VAL  60          HG21      VAL  60 -26.800   0.649   0.883
  497   HG22  VAL  60          HG22      VAL  60 -25.673   1.180  -0.365
  498   HG23  VAL  60          HG23      VAL  60 -25.455   1.707   1.303
  499    H    GLU  61           HN       GLU  61 -23.453  -2.455  -1.262
  500    HA   GLU  61           HA       GLU  61 -23.232  -4.966   0.183
  501    HB2  GLU  61           HB2      GLU  61 -23.148  -4.868  -2.302
  502    HB3  GLU  61           HB1      GLU  61 -21.664  -3.935  -2.188
  503    HG2  GLU  61           HG2      GLU  61 -20.959  -6.106  -2.629
  504    HG3  GLU  61           HG1      GLU  61 -20.715  -5.912  -0.894
  505    HA   PRO  62           HA       PRO  62 -19.759  -3.255   2.500
  506    HB2  PRO  62           HB2      PRO  62 -19.506  -5.287   4.238
  507    HB3  PRO  62           HB1      PRO  62 -20.796  -4.089   4.385
  508    HG2  PRO  62           HG2      PRO  62 -20.908  -6.874   3.324
  509    HG3  PRO  62           HG1      PRO  62 -22.102  -5.991   4.290
  510    HD2  PRO  62           HD2      PRO  62 -22.234  -6.346   1.548
  511    HD3  PRO  62           HD1      PRO  62 -23.068  -5.065   2.445
  512    H    ALA  63           HN       ALA  63 -17.570  -3.699   2.596
  513    HA   ALA  63           HA       ALA  63 -16.683  -5.978   0.957
  514    HB1  ALA  63           HB1      ALA  63 -15.477  -3.244   1.311
  515    HB2  ALA  63           HB2      ALA  63 -16.192  -3.916  -0.152
  516    HB3  ALA  63           HB3      ALA  63 -14.677  -4.572   0.473
  517    H    MET  64           HN       MET  64 -15.741  -7.531   2.101
  518    HA   MET  64           HA       MET  64 -14.617  -6.910   4.734
  519    HB2  MET  64           HB2      MET  64 -15.192  -9.586   3.445
  520    HB3  MET  64           HB1      MET  64 -14.658  -9.339   5.100
  521    HG2  MET  64           HG2      MET  64 -16.725  -8.170   5.614
  522    HG3  MET  64           HG1      MET  64 -17.258  -8.357   3.944
  523    HE1  MET  64           HE1      MET  64 -19.014  -9.264   6.478
  524    HE2  MET  64           HE2      MET  64 -19.637 -10.796   5.870
  525    HE3  MET  64           HE3      MET  64 -19.529  -9.402   4.798
  526    H    ILE  65           HN       ILE  65 -12.508  -6.436   4.755
  527    HA   ILE  65           HA       ILE  65 -10.768  -7.737   2.765
  528    HB   ILE  65           HB       ILE  65 -10.377  -5.104   4.201
  529   HG12  ILE  65          HG12      ILE  65 -11.024  -5.752   1.316
  530   HG13  ILE  65          HG11      ILE  65 -12.106  -4.994   2.480
  531   HG21  ILE  65          HG21      ILE  65  -8.247  -6.212   3.801
  532   HG22  ILE  65          HG22      ILE  65  -8.427  -4.811   2.745
  533   HG23  ILE  65          HG23      ILE  65  -8.667  -6.437   2.103
  534   HD11  ILE  65          HD11      ILE  65 -11.195  -3.358   0.958
  535   HD12  ILE  65          HD12      ILE  65  -9.554  -3.830   1.396
  536   HD13  ILE  65          HD13      ILE  65 -10.601  -3.067   2.592
  537    H    GLU  66           HN       GLU  66  -8.947  -8.791   3.400
  538    HA   GLU  66           HA       GLU  66  -8.542  -9.075   6.304
  539    HB2  GLU  66           HB2      GLU  66  -9.308 -11.137   5.217
  540    HB3  GLU  66           HB1      GLU  66  -7.973 -11.044   4.079
  541    HG2  GLU  66           HG2      GLU  66  -6.388 -11.329   5.916
  542    HG3  GLU  66           HG1      GLU  66  -7.731 -11.430   7.053
  543    H    ASN  67           HN       ASN  67  -6.524  -8.798   7.130
  544    HA   ASN  67           HA       ASN  67  -4.377  -8.112   5.231
  545    HB2  ASN  67           HB2      ASN  67  -4.808  -7.083   8.047
  546    HB3  ASN  67           HB1      ASN  67  -3.421  -6.701   7.032
  547   HD21  ASN  67          HD21      ASN  67  -6.836  -6.231   7.524
  548   HD22  ASN  67          HD22      ASN  67  -6.996  -4.858   6.484
  549    H    ARG  68           HN       ARG  68  -2.635  -9.406   5.280
  550    HA   ARG  68           HA       ARG  68  -2.040 -10.825   7.769
  551    HB2  ARG  68           HB2      ARG  68  -2.390 -12.082   5.060
  552    HB3  ARG  68           HB1      ARG  68  -1.407 -12.839   6.308
  553    HG2  ARG  68           HG2      ARG  68  -3.429 -12.699   7.813
  554    HG3  ARG  68           HG1      ARG  68  -4.353 -12.245   6.381
  555    HD2  ARG  68           HD2      ARG  68  -2.677 -14.727   6.446
  556    HD3  ARG  68           HD1      ARG  68  -4.317 -14.711   7.086
  557    HE   ARG  68           HE       ARG  68  -5.007 -13.968   4.800
  558   HH11  ARG  68          HH11      ARG  68  -1.982 -15.703   5.255
  559   HH12  ARG  68          HH12      ARG  68  -2.091 -16.514   3.713
  560   HH21  ARG  68          HH21      ARG  68  -5.104 -15.015   2.767
  561   HH22  ARG  68          HH22      ARG  68  -3.838 -16.116   2.311
  562    H    ARG  69           HN       ARG  69   0.219 -11.809   7.662
  563    HA   ARG  69           HA       ARG  69   1.936 -10.022   6.102
  564    HB2  ARG  69           HB2      ARG  69   3.432  -9.812   8.074
  565    HB3  ARG  69           HB1      ARG  69   1.852  -9.077   8.299
  566    HG2  ARG  69           HG2      ARG  69   1.222 -11.304   9.431
  567    HG3  ARG  69           HG1      ARG  69   2.966 -11.563   9.530
  568    HD2  ARG  69           HD2      ARG  69   2.218 -10.543  11.573
  569    HD3  ARG  69           HD1      ARG  69   3.175  -9.370  10.669
  570    HE   ARG  69           HE       ARG  69   0.322  -9.229  10.222
  571   HH11  ARG  69          HH11      ARG  69   3.019  -8.053  12.122
  572   HH12  ARG  69          HH12      ARG  69   2.200  -6.609  12.620
  573   HH21  ARG  69          HH21      ARG  69  -0.756  -7.328  10.871
  574   HH22  ARG  69          HH22      ARG  69   0.052  -6.198  11.911
  575    H    MET  70           HN       MET  70   3.468 -10.960   5.006
  576    HA   MET  70           HA       MET  70   4.129 -13.752   5.644
  577    HB2  MET  70           HB2      MET  70   3.962 -12.476   2.911
  578    HB3  MET  70           HB1      MET  70   4.469 -14.120   3.242
  579    HG2  MET  70           HG2      MET  70   2.246 -14.184   2.430
  580    HG3  MET  70           HG1      MET  70   2.210 -14.586   4.137
  581    HE1  MET  70           HE1      MET  70  -0.477 -14.214   3.981
  582    HE2  MET  70           HE2      MET  70  -0.293 -13.759   2.287
  583    HE3  MET  70           HE3      MET  70  -1.196 -12.717   3.385
  584    H    GLN  71           HN       GLN  71   6.246 -14.352   5.591
  585    HA   GLN  71           HA       GLN  71   8.223 -12.264   5.605
  586    HB2  GLN  71           HB2      GLN  71   8.273 -14.216   7.147
  587    HB3  GLN  71           HB1      GLN  71   8.601 -15.252   5.767
  588    HG2  GLN  71           HG2      GLN  71  10.693 -14.121   5.366
  589    HG3  GLN  71           HG1      GLN  71  10.362 -12.992   6.681
  590   HE21  GLN  71          HE21      GLN  71  10.489 -13.713   8.811
  591   HE22  GLN  71          HE22      GLN  71  11.304 -15.179   9.232
  592    H    TYR  72           HN       TYR  72   9.822 -11.907   4.119
  593    HA   TYR  72           HA       TYR  72   9.127 -12.519   1.426
  594    HB2  TYR  72           HB2      TYR  72  10.141 -10.333   2.242
  595    HB3  TYR  72           HB1      TYR  72  11.674 -11.189   2.357
  596    HD1  TYR  72           HD1      TYR  72  12.754 -12.075   0.289
  597    HD2  TYR  72           HD2      TYR  72   9.288  -9.619   0.137
  598    HE1  TYR  72           HE1      TYR  72  13.170 -11.645  -2.096
  599    HE2  TYR  72           HE2      TYR  72   9.690  -9.188  -2.248
  600    HH   TYR  72           HH       TYR  72  11.697  -9.203  -3.805
  601    H    LEU  73           HN       LEU  73   9.489 -14.463   0.656
  602    HA   LEU  73           HA       LEU  73  12.204 -15.566   0.850
  603    HB2  LEU  73           HB2      LEU  73   9.533 -16.749   0.170
  604    HB3  LEU  73           HB1      LEU  73  10.983 -17.499  -0.463
  605    HG   LEU  73           HG       LEU  73  10.239 -18.643   1.545
  606   HD11  LEU  73          HD11      LEU  73  12.642 -18.516   1.117
  607   HD12  LEU  73          HD12      LEU  73  12.286 -18.571   2.842
  608   HD13  LEU  73          HD13      LEU  73  12.735 -17.044   2.084
  609   HD21  LEU  73          HD21      LEU  73   9.059 -16.782   2.609
  610   HD22  LEU  73          HD22      LEU  73  10.604 -16.010   2.966
  611   HD23  LEU  73          HD23      LEU  73  10.195 -17.553   3.716
  612    H    TYR  74           HN       TYR  74  12.556 -16.782  -1.544
  613    HA   TYR  74           HA       TYR  74  12.031 -14.737  -3.552
  614    HB2  TYR  74           HB2      TYR  74  14.045 -13.954  -2.367
  615    HB3  TYR  74           HB1      TYR  74  14.840 -15.480  -2.724
  616    HD1  TYR  74           HD1      TYR  74  15.830 -15.887  -4.858
  617    HD2  TYR  74           HD2      TYR  74  13.551 -12.355  -4.205
  618    HE1  TYR  74           HE1      TYR  74  16.670 -14.961  -6.972
  619    HE2  TYR  74           HE2      TYR  74  14.385 -11.421  -6.322
  620    HH   TYR  74           HH       TYR  74  16.425 -11.746  -7.811
  621    H    ALA  75           HN       ALA  75  12.109 -15.420  -5.594
  622    HA   ALA  75           HA       ALA  75  13.284 -17.988  -6.274
  623    HB1  ALA  75           HB1      ALA  75  10.955 -18.505  -5.674
  624    HB2  ALA  75           HB2      ALA  75  11.262 -18.772  -7.389
  625    HB3  ALA  75           HB3      ALA  75  10.395 -17.329  -6.863
  626    H    ASP  76           HN       ASP  76  12.477 -18.139  -8.907
  627    HA   ASP  76           HA       ASP  76  14.052 -16.163 -10.157
  628    HB2  ASP  76           HB2      ASP  76  13.527 -18.426 -11.119
  629    HB3  ASP  76           HB1      ASP  76  11.905 -17.841 -11.477
  630    H    GLY  77           HN       GLY  77  13.487 -14.154 -11.073
  631    HA2  GLY  77           HA2      GLY  77  11.217 -13.084  -9.689
  632    HA3  GLY  77           HA1      GLY  77  12.364 -12.177 -10.654
  633    H    ASP  78           HN       ASP  78   9.937 -14.675 -11.256
  634    HA   ASP  78           HA       ASP  78   8.313 -12.586 -12.539
  635    HB2  ASP  78           HB2      ASP  78   8.373 -15.557 -13.159
  636    HB3  ASP  78           HB1      ASP  78   7.104 -14.468 -13.712
  637    H    ASN  79           HN       ASN  79   8.782 -15.215 -10.399
  638    HA   ASN  79           HA       ASN  79   6.304 -14.607  -8.961
  639    HB2  ASN  79           HB2      ASN  79   6.039 -16.700 -10.292
  640    HB3  ASN  79           HB1      ASN  79   7.444 -17.365  -9.454
  641   HD21  ASN  79          HD21      ASN  79   6.421 -19.019  -8.469
  642   HD22  ASN  79          HD22      ASN  79   5.213 -18.820  -7.245
  643    H    HIS  80           HN       HIS  80   6.605 -14.354  -6.811
  644    HA   HIS  80           HA       HIS  80   9.187 -15.238  -5.694
  645    HB2  HIS  80           HB2      HIS  80   7.742 -12.630  -5.185
  646    HB3  HIS  80           HB1      HIS  80   9.066 -13.218  -4.189
  647    HD1  HIS  80           HD1      HIS  80  11.063 -11.853  -4.733
  648    HD2  HIS  80           HD2      HIS  80   8.857 -12.777  -8.139
  649    HE1  HIS  80           HE1      HIS  80  12.323 -10.843  -6.657
  650    HE2  HIS  80           HE2      HIS  80  10.834 -11.195  -8.657
  651    H    VAL  81           HN       VAL  81   9.142 -16.016  -3.591
  652    HA   VAL  81           HA       VAL  81   6.516 -17.008  -2.826
  653    HB   VAL  81           HB       VAL  81   9.251 -17.760  -1.779
  654   HG11  VAL  81          HG11      VAL  81   8.121 -19.734  -0.860
  655   HG12  VAL  81          HG12      VAL  81   6.570 -19.101  -1.414
  656   HG13  VAL  81          HG13      VAL  81   7.481 -18.241  -0.172
  657   HG21  VAL  81          HG21      VAL  81   8.980 -19.778  -3.164
  658   HG22  VAL  81          HG22      VAL  81   9.019 -18.305  -4.135
  659   HG23  VAL  81          HG23      VAL  81   7.484 -19.111  -3.818
  660    H    PHE  82           HN       PHE  82   5.442 -16.358  -1.038
  661    HA   PHE  82           HA       PHE  82   6.928 -14.903   1.049
  662    HB2  PHE  82           HB2      PHE  82   4.201 -14.267  -0.089
  663    HB3  PHE  82           HB1      PHE  82   4.784 -13.602   1.427
  664    HD1  PHE  82           HD1      PHE  82   5.384 -13.711  -2.217
  665    HD2  PHE  82           HD2      PHE  82   6.227 -11.755   1.472
  666    HE1  PHE  82           HE1      PHE  82   6.440 -11.859  -3.440
  667    HE2  PHE  82           HE2      PHE  82   7.282  -9.904   0.250
  668    HZ   PHE  82           HZ       PHE  82   7.391  -9.953  -2.209
  669    H    MET  83           HN       MET  83   6.689 -15.782   3.033
  670    HA   MET  83           HA       MET  83   4.797 -18.020   3.240
  671    HB2  MET  83           HB2      MET  83   7.283 -17.348   4.805
  672    HB3  MET  83           HB1      MET  83   6.174 -18.626   5.278
  673    HG2  MET  83           HG2      MET  83   7.704 -18.471   2.693
  674    HG3  MET  83           HG1      MET  83   8.070 -19.519   4.062
  675    HE1  MET  83           HE1      MET  83   7.821 -20.649   1.157
  676    HE2  MET  83           HE2      MET  83   6.817 -22.076   1.406
  677    HE3  MET  83           HE3      MET  83   8.090 -21.681   2.562
  678    H    ASP  84           HN       ASP  84   2.983 -17.716   4.256
  679    HA   ASP  84           HA       ASP  84   2.291 -15.429   5.719
  680    HB2  ASP  84           HB2      ASP  84   0.631 -16.822   4.635
  681    HB3  ASP  84           HB1      ASP  84   1.031 -18.165   5.697
  682    H    ASN  85           HN       ASN  85   2.958 -14.799   7.609
  683    HA   ASN  85           HA       ASN  85   4.426 -16.508   9.356
  684    HB2  ASN  85           HB2      ASN  85   3.440 -13.675   9.720
  685    HB3  ASN  85           HB1      ASN  85   4.508 -14.503  10.848
  686   HD21  ASN  85          HD21      ASN  85   4.953 -12.084   9.321
  687   HD22  ASN  85          HD22      ASN  85   6.354 -12.372   8.356
  688    H    GLU  86           HN       GLU  86   1.103 -15.720   9.073
  689    HA   GLU  86           HA       GLU  86   0.447 -16.119  11.819
  690    HB2  GLU  86           HB2      GLU  86  -1.250 -16.100   9.329
  691    HB3  GLU  86           HB1      GLU  86  -1.913 -16.347  10.940
  692    HG2  GLU  86           HG2      GLU  86  -0.877 -14.165  11.600
  693    HG3  GLU  86           HG1      GLU  86  -0.483 -13.915   9.902
  694    H    SER  87           HN       SER  87   0.189 -18.189   8.901
  695    HA   SER  87           HA       SER  87   1.269 -20.346  10.406
  696    HB2  SER  87           HB2      SER  87  -0.762 -21.865  10.038
  697    HB3  SER  87           HB1      SER  87  -0.868 -20.683  11.340
  698    HG   SER  87           HG       SER  87  -1.743 -19.836   8.846
  699    H    PHE  88           HN       PHE  88   2.703 -20.121   8.558
  700    HA   PHE  88           HA       PHE  88   3.710 -21.289   6.916
  701    HB2  PHE  88           HB2      PHE  88   1.761 -23.356   7.905
  702    HB3  PHE  88           HB1      PHE  88   3.130 -23.711   6.847
  703    HD1  PHE  88           HD1      PHE  88   2.053 -23.007  10.226
  704    HD2  PHE  88           HD2      PHE  88   5.439 -23.393   7.678
  705    HE1  PHE  88           HE1      PHE  88   3.508 -23.219  12.193
  706    HE2  PHE  88           HE2      PHE  88   6.901 -23.608   9.644
  707    HZ   PHE  88           HZ       PHE  88   5.935 -23.520  11.907
  708    H    GLU  89           HN       GLU  89   1.322 -19.778   5.874
  709    HA   GLU  89           HA       GLU  89   0.498 -21.555   3.722
  710    HB2  GLU  89           HB2      GLU  89  -1.248 -20.214   4.762
  711    HB3  GLU  89           HB1      GLU  89  -0.394 -18.739   4.340
  712    HG2  GLU  89           HG2      GLU  89  -0.672 -19.269   1.965
  713    HG3  GLU  89           HG1      GLU  89  -1.567 -20.722   2.406
  714    H    GLN  90           HN       GLN  90   1.610 -21.665   1.922
  715    HA   GLN  90           HA       GLN  90   3.643 -19.739   1.289
  716    HB2  GLN  90           HB2      GLN  90   3.950 -22.144   0.856
  717    HB3  GLN  90           HB1      GLN  90   2.617 -22.110  -0.289
  718    HG2  GLN  90           HG2      GLN  90   3.880 -20.560  -1.703
  719    HG3  GLN  90           HG1      GLN  90   5.222 -20.627  -0.561
  720   HE21  GLN  90          HE21      GLN  90   6.455 -22.503  -0.420
  721   HE22  GLN  90          HE22      GLN  90   6.426 -23.715  -1.648
  722    H    THR  91           HN       THR  91   3.141 -17.848   0.392
  723    HA   THR  91           HA       THR  91   0.900 -17.731  -1.501
  724    HB   THR  91           HB       THR  91   2.138 -15.480   0.077
  725    HG1  THR  91           HG1      THR  91   0.932 -17.021   1.340
  726   HG21  THR  91          HG21      THR  91   1.150 -14.719  -2.026
  727   HG22  THR  91          HG22      THR  91   0.182 -14.184  -0.652
  728   HG23  THR  91          HG23      THR  91  -0.353 -15.552  -1.628
  729    H    GLU  92           HN       GLU  92   1.465 -17.561  -3.570
  730    HA   GLU  92           HA       GLU  92   4.159 -16.608  -4.231
  731    HB2  GLU  92           HB2      GLU  92   2.117 -18.051  -5.933
  732    HB3  GLU  92           HB1      GLU  92   3.754 -17.644  -6.424
  733    HG2  GLU  92           HG2      GLU  92   4.676 -19.129  -4.780
  734    HG3  GLU  92           HG1      GLU  92   3.075 -19.450  -4.116
  735    H    LEU  93           HN       LEU  93   4.472 -14.694  -5.182
  736    HA   LEU  93           HA       LEU  93   2.104 -13.258  -6.188
  737    HB2  LEU  93           HB2      LEU  93   4.457 -12.281  -4.606
  738    HB3  LEU  93           HB1      LEU  93   3.468 -11.180  -5.540
  739    HG   LEU  93           HG       LEU  93   2.544 -12.888  -3.227
  740   HD11  LEU  93          HD11      LEU  93   3.905 -11.003  -2.539
  741   HD12  LEU  93          HD12      LEU  93   2.216 -10.728  -2.113
  742   HD13  LEU  93          HD13      LEU  93   2.917  -9.912  -3.509
  743   HD21  LEU  93          HD21      LEU  93   1.029 -11.005  -5.028
  744   HD22  LEU  93          HD22      LEU  93   0.440 -11.536  -3.454
  745   HD23  LEU  93          HD23      LEU  93   0.706 -12.716  -4.735
  746    H    SER  94           HN       SER  94   2.393 -11.857  -7.941
  747    HA   SER  94           HA       SER  94   4.364 -12.895  -9.798
  748    HB2  SER  94           HB2      SER  94   2.046 -11.036 -10.309
  749    HB3  SER  94           HB1      SER  94   2.995 -11.892 -11.524
  750    HG   SER  94           HG       SER  94   2.281 -13.864 -10.442
  751    H    SER  95           HN       SER  95   5.309 -11.332 -11.417
  752    HA   SER  95           HA       SER  95   7.086  -9.639 -10.133
  753    HB2  SER  95           HB2      SER  95   7.406 -10.626 -12.398
  754    HB3  SER  95           HB1      SER  95   6.253  -9.453 -13.033
  755    HG   SER  95           HG       SER  95   8.333  -8.669 -13.311
  756    H    ASP  96           HN       ASP  96   3.929  -8.945 -11.467
  757    HA   ASP  96           HA       ASP  96   3.930  -6.210 -11.715
  758    HB2  ASP  96           HB2      ASP  96   2.008  -7.525 -12.354
  759    HB3  ASP  96           HB1      ASP  96   1.727  -8.010 -10.687
  760    H    TYR  97           HN       TYR  97   3.283  -8.061  -8.746
  761    HA   TYR  97           HA       TYR  97   3.027  -5.681  -7.156
  762    HB2  TYR  97           HB2      TYR  97   3.326  -8.573  -6.308
  763    HB3  TYR  97           HB1      TYR  97   2.881  -7.239  -5.251
  764    HD1  TYR  97           HD1      TYR  97   1.736  -9.510  -7.878
  765    HD2  TYR  97           HD2      TYR  97   0.659  -6.251  -5.365
  766    HE1  TYR  97           HE1      TYR  97  -0.634  -9.898  -8.400
  767    HE2  TYR  97           HE2      TYR  97  -1.715  -6.628  -5.884
  768    HH   TYR  97           HH       TYR  97  -3.089  -7.658  -7.590
  769    H    LEU  98           HN       LEU  98   5.438  -8.126  -7.799
  770    HA   LEU  98           HA       LEU  98   7.205  -7.435  -5.716
  771    HB2  LEU  98           HB2      LEU  98   7.370  -9.116  -8.145
  772    HB3  LEU  98           HB1      LEU  98   8.878  -8.625  -7.397
  773    HG   LEU  98           HG       LEU  98   8.217 -10.811  -6.592
  774   HD11  LEU  98          HD11      LEU  98   9.362  -9.221  -5.068
  775   HD12  LEU  98          HD12      LEU  98   8.377 -10.425  -4.239
  776   HD13  LEU  98          HD13      LEU  98   7.783  -8.775  -4.417
  777   HD21  LEU  98          HD21      LEU  98   5.711  -9.459  -5.612
  778   HD22  LEU  98          HD22      LEU  98   6.193 -11.121  -5.279
  779   HD23  LEU  98          HD23      LEU  98   5.814 -10.630  -6.928
  780    H    LYS  99           HN       LYS  99   6.578  -5.951  -8.702
  781    HA   LYS  99           HA       LYS  99   8.970  -4.633  -9.213
  782    HB2  LYS  99           HB2      LYS  99   7.028  -4.493 -10.686
  783    HB3  LYS  99           HB1      LYS  99   6.138  -3.601  -9.462
  784    HG2  LYS  99           HG2      LYS  99   7.791  -1.783  -9.625
  785    HG3  LYS  99           HG1      LYS  99   8.599  -2.672 -10.917
  786    HD2  LYS  99           HD2      LYS  99   6.539  -2.581 -12.249
  787    HD3  LYS  99           HD1      LYS  99   5.753  -1.669 -10.959
  788    HE2  LYS  99           HE2      LYS  99   6.560  -0.218 -12.776
  789    HE3  LYS  99           HE1      LYS  99   7.329   0.145 -11.232
  790    HZ1  LYS  99           HZ1      LYS  99   8.555  -1.558 -13.332
  791    HZ2  LYS  99           HZ2      LYS  99   9.293  -0.997 -11.919
  792    HZ3  LYS  99           HZ3      LYS  99   8.878   0.090 -13.144
  793    H    GLU 100           HN       GLU 100   6.443  -3.974  -6.852
  794    HA   GLU 100           HA       GLU 100   7.624  -1.499  -5.970
  795    HB2  GLU 100           HB2      GLU 100   5.143  -2.107  -5.875
  796    HB3  GLU 100           HB1      GLU 100   5.554  -3.125  -4.502
  797    HG2  GLU 100           HG2      GLU 100   4.741  -1.052  -3.670
  798    HG3  GLU 100           HG1      GLU 100   6.477  -1.119  -3.365
  799    H    GLU 101           HN       GLU 101   7.341  -4.814  -4.715
  800    HA   GLU 101           HA       GLU 101   8.840  -4.479  -2.396
  801    HB2  GLU 101           HB2      GLU 101   8.511  -6.867  -4.196
  802    HB3  GLU 101           HB1      GLU 101   9.504  -6.933  -2.752
  803    HG2  GLU 101           HG2      GLU 101   7.381  -7.830  -2.214
  804    HG3  GLU 101           HG1      GLU 101   7.509  -6.262  -1.429
  805    H    LEU 102           HN       LEU 102   9.972  -5.214  -5.689
  806    HA   LEU 102           HA       LEU 102  12.704  -5.449  -4.967
  807    HB2  LEU 102           HB2      LEU 102  11.328  -4.982  -7.603
  808    HB3  LEU 102           HB1      LEU 102  13.072  -5.116  -7.463
  809    HG   LEU 102           HG       LEU 102  11.136  -7.271  -6.612
  810   HD11  LEU 102          HD11      LEU 102  11.810  -8.449  -8.630
  811   HD12  LEU 102          HD12      LEU 102  12.801  -7.074  -9.116
  812   HD13  LEU 102          HD13      LEU 102  11.046  -6.909  -9.029
  813   HD21  LEU 102          HD21      LEU 102  13.244  -7.363  -5.420
  814   HD22  LEU 102          HD22      LEU 102  14.134  -7.252  -6.937
  815   HD23  LEU 102          HD23      LEU 102  13.157  -8.678  -6.591
  816    H    ASN 103           HN       ASN 103  10.693  -2.798  -5.159
  817    HA   ASN 103           HA       ASN 103  12.713  -0.852  -5.793
  818    HB2  ASN 103           HB2      ASN 103  10.420  -0.302  -6.302
  819    HB3  ASN 103           HB1      ASN 103   9.915  -0.647  -4.657
  820   HD21  ASN 103          HD21      ASN 103   8.958   1.393  -4.578
  821   HD22  ASN 103          HD22      ASN 103   9.913   2.817  -4.335
  822    H    TYR 104           HN       TYR 104  10.979  -1.913  -2.856
  823    HA   TYR 104           HA       TYR 104  13.437  -1.414  -1.336
  824    HB2  TYR 104           HB2      TYR 104  10.699  -0.459  -0.458
  825    HB3  TYR 104           HB1      TYR 104  12.147  -0.423   0.533
  826    HD1  TYR 104           HD1      TYR 104  10.081   1.472  -1.560
  827    HD2  TYR 104           HD2      TYR 104  14.174   0.915  -0.565
  828    HE1  TYR 104           HE1      TYR 104  10.589   3.725  -2.403
  829    HE2  TYR 104           HE2      TYR 104  14.696   3.162  -1.411
  830    HH   TYR 104           HH       TYR 104  12.255   5.445  -2.161
  831    H    LEU 105           HN       LEU 105  13.944  -3.349  -0.435
  832    HA   LEU 105           HA       LEU 105  12.173  -4.694   1.305
  833    HB2  LEU 105           HB2      LEU 105  11.591  -6.655   0.159
  834    HB3  LEU 105           HB1      LEU 105  11.250  -5.366  -0.967
  835    HG   LEU 105           HG       LEU 105  12.143  -7.023  -2.313
  836   HD11  LEU 105          HD11      LEU 105  14.551  -5.370  -1.623
  837   HD12  LEU 105          HD12      LEU 105  13.274  -4.927  -2.754
  838   HD13  LEU 105          HD13      LEU 105  14.316  -6.310  -3.095
  839   HD21  LEU 105          HD21      LEU 105  14.266  -7.559  -0.251
  840   HD22  LEU 105          HD22      LEU 105  14.124  -8.362  -1.815
  841   HD23  LEU 105          HD23      LEU 105  12.861  -8.565  -0.601
  842    H    LYS 106           HN       LYS 106  13.056  -6.710   2.161
  843    HA   LYS 106           HA       LYS 106  15.816  -7.359   1.453
  844    HB2  LYS 106           HB2      LYS 106  14.827  -6.849   4.257
  845    HB3  LYS 106           HB1      LYS 106  16.267  -7.786   3.914
  846    HG2  LYS 106           HG2      LYS 106  17.296  -5.843   2.878
  847    HG3  LYS 106           HG1      LYS 106  15.837  -4.897   3.191
  848    HD2  LYS 106           HD2      LYS 106  16.119  -5.155   5.566
  849    HD3  LYS 106           HD1      LYS 106  17.474  -6.255   5.326
  850    HE2  LYS 106           HE2      LYS 106  17.434  -3.378   4.444
  851    HE3  LYS 106           HE1      LYS 106  18.134  -3.945   5.958
  852    HZ1  LYS 106           HZ1      LYS 106  19.001  -4.731   3.225
  853    HZ2  LYS 106           HZ2      LYS 106  19.649  -5.336   4.667
  854    HZ3  LYS 106           HZ3      LYS 106  19.829  -3.701   4.283
  855    H    GLU 107           HN       GLU 107  16.224  -9.577   1.561
  856    HA   GLU 107           HA       GLU 107  14.014 -11.327   1.630
  857    HB2  GLU 107           HB2      GLU 107  16.972 -11.913   1.845
  858    HB3  GLU 107           HB1      GLU 107  15.739 -13.155   1.721
  859    HG2  GLU 107           HG2      GLU 107  16.638 -12.886  -0.435
  860    HG3  GLU 107           HG1      GLU 107  15.053 -12.117  -0.459
  861    H    GLY 108           HN       GLY 108  12.978 -12.210   3.312
  862    HA2  GLY 108           HA2      GLY 108  12.948 -13.227   5.487
  863    HA3  GLY 108           HA1      GLY 108  14.341 -12.251   5.921
  864    H    MET 109           HN       MET 109  12.751 -10.027   4.403
  865    HA   MET 109           HA       MET 109  11.593  -8.875   6.766
  866    HB2  MET 109           HB2      MET 109  12.721  -7.455   5.169
  867    HB3  MET 109           HB1      MET 109  11.647  -7.984   3.881
  868    HG2  MET 109           HG2      MET 109   9.762  -6.979   5.191
  869    HG3  MET 109           HG1      MET 109  10.977  -6.268   6.251
  870    HE1  MET 109           HE1      MET 109  12.913  -3.889   3.848
  871    HE2  MET 109           HE2      MET 109  13.323  -5.521   4.371
  872    HE3  MET 109           HE3      MET 109  12.667  -4.362   5.527
  873    H    GLU 110           HN       GLU 110   9.448  -8.707   7.292
  874    HA   GLU 110           HA       GLU 110   7.654 -10.276   5.605
  875    HB2  GLU 110           HB2      GLU 110   6.175 -10.363   7.579
  876    HB3  GLU 110           HB1      GLU 110   7.769 -11.035   7.877
  877    HG2  GLU 110           HG2      GLU 110   8.422  -8.967   9.012
  878    HG3  GLU 110           HG1      GLU 110   6.798  -8.326   8.746
  879    H    VAL 111           HN       VAL 111   6.126  -9.393   4.453
  880    HA   VAL 111           HA       VAL 111   5.526  -6.540   4.841
  881    HB   VAL 111           HB       VAL 111   4.768  -6.504   2.525
  882   HG11  VAL 111          HG11      VAL 111   7.104  -6.024   2.914
  883   HG12  VAL 111          HG12      VAL 111   6.936  -6.922   1.405
  884   HG13  VAL 111          HG13      VAL 111   7.500  -7.741   2.862
  885   HG21  VAL 111          HG21      VAL 111   5.572  -9.413   2.437
  886   HG22  VAL 111          HG22      VAL 111   5.061  -8.444   1.056
  887   HG23  VAL 111          HG23      VAL 111   3.925  -8.788   2.360
  888    H    GLN 112           HN       GLN 112   3.266  -5.887   4.413
  889    HA   GLN 112           HA       GLN 112   1.460  -7.932   5.479
  890    HB2  GLN 112           HB2      GLN 112   1.204  -4.929   5.422
  891    HB3  GLN 112           HB1      GLN 112  -0.064  -6.011   5.984
  892    HG2  GLN 112           HG2      GLN 112   1.572  -6.907   7.655
  893    HG3  GLN 112           HG1      GLN 112   2.669  -5.616   7.171
  894   HE21  GLN 112          HE21      GLN 112   2.654  -4.712   9.218
  895   HE22  GLN 112          HE22      GLN 112   1.287  -3.853   9.842
  896    H    ILE 113           HN       ILE 113   0.668  -9.064   3.840
  897    HA   ILE 113           HA       ILE 113  -0.058  -7.789   1.356
  898    HB   ILE 113           HB       ILE 113  -0.308 -10.668   2.245
  899   HG12  ILE 113          HG12      ILE 113   1.621  -9.292   0.355
  900   HG13  ILE 113          HG11      ILE 113   2.006  -9.898   1.962
  901   HG21  ILE 113          HG21      ILE 113  -2.021 -10.120   0.594
  902   HG22  ILE 113          HG22      ILE 113  -0.792 -11.175  -0.104
  903   HG23  ILE 113          HG23      ILE 113  -0.789  -9.451  -0.477
  904   HD11  ILE 113          HD11      ILE 113   1.579 -12.172   1.219
  905   HD12  ILE 113          HD12      ILE 113   2.799 -11.393   0.210
  906   HD13  ILE 113          HD13      ILE 113   1.148 -11.576  -0.384
  907    H    GLN 114           HN       GLN 114  -2.040  -7.171   0.801
  908    HA   GLN 114           HA       GLN 114  -4.155  -7.585   2.784
  909    HB2  GLN 114           HB2      GLN 114  -3.365  -5.259   2.394
  910    HB3  GLN 114           HB1      GLN 114  -3.878  -5.398   0.719
  911    HG2  GLN 114           HG2      GLN 114  -6.155  -5.554   1.346
  912    HG3  GLN 114           HG1      GLN 114  -5.739  -5.728   3.050
  913   HE21  GLN 114          HE21      GLN 114  -5.187  -3.944   4.236
  914   HE22  GLN 114          HE22      GLN 114  -5.394  -2.326   3.653
  915    H    THR 115           HN       THR 115  -5.714  -8.924   2.235
  916    HA   THR 115           HA       THR 115  -6.125  -9.492  -0.615
  917    HB   THR 115           HB       THR 115  -6.924 -11.767   0.237
  918    HG1  THR 115           HG1      THR 115  -6.939 -11.935   2.341
  919   HG21  THR 115          HG21      THR 115  -4.020 -11.001   0.556
  920   HG22  THR 115          HG22      THR 115  -4.814 -11.494  -0.941
  921   HG23  THR 115          HG23      THR 115  -4.628 -12.647   0.380
  922    H    TYR 116           HN       TYR 116  -8.207  -9.983  -1.331
  923    HA   TYR 116           HA       TYR 116 -10.423  -9.376   0.494
  924    HB2  TYR 116           HB2      TYR 116  -9.955  -7.464  -1.034
  925    HB3  TYR 116           HB1      TYR 116 -10.207  -8.532  -2.407
  926    HD1  TYR 116           HD1      TYR 116 -11.985  -7.456   0.695
  927    HD2  TYR 116           HD2      TYR 116 -12.282  -8.489  -3.416
  928    HE1  TYR 116           HE1      TYR 116 -14.379  -6.908   0.738
  929    HE2  TYR 116           HE2      TYR 116 -14.681  -7.952  -3.384
  930    HH   TYR 116           HH       TYR 116 -16.519  -7.818  -1.681
  931    H    GLU 117           HN       GLU 117 -11.164 -11.396   0.803
  932    HA   GLU 117           HA       GLU 117 -12.013 -13.468   0.437
  933    HB2  GLU 117           HB2      GLU 117 -12.587 -12.413  -2.339
  934    HB3  GLU 117           HB1      GLU 117 -13.252 -13.887  -1.650
  935    HG2  GLU 117           HG2      GLU 117 -14.443 -12.613   0.018
  936    HG3  GLU 117           HG1      GLU 117 -13.712 -11.118  -0.566
  937    H    GLY 118           HN       GLY 118  -9.219 -12.925  -0.005
  938    HA2  GLY 118           HA2      GLY 118  -7.509 -14.484  -0.453
  939    HA3  GLY 118           HA1      GLY 118  -8.580 -15.307  -1.578
  940    H    GLU 119           HN       GLU 119  -9.174 -12.443  -2.608
  941    HA   GLU 119           HA       GLU 119  -7.226 -12.559  -4.728
  942    HB2  GLU 119           HB2      GLU 119  -9.589 -12.070  -5.195
  943    HB3  GLU 119           HB1      GLU 119  -9.491 -10.619  -4.215
  944    HG2  GLU 119           HG2      GLU 119  -7.884  -9.661  -5.775
  945    HG3  GLU 119           HG1      GLU 119  -7.968 -11.120  -6.760
  946    H    THR 120           HN       THR 120  -5.278 -11.656  -4.500
  947    HA   THR 120           HA       THR 120  -4.588  -9.825  -2.478
  948    HB   THR 120           HB       THR 120  -3.109 -10.322  -5.068
  949    HG1  THR 120           HG1      THR 120  -2.860 -12.268  -4.263
  950   HG21  THR 120          HG21      THR 120  -2.165  -9.357  -2.362
  951   HG22  THR 120          HG22      THR 120  -2.287  -8.384  -3.828
  952   HG23  THR 120          HG23      THR 120  -1.125  -9.708  -3.743
  953    H    ILE 121           HN       ILE 121  -5.334  -7.796  -2.346
  954    HA   ILE 121           HA       ILE 121  -5.838  -6.326  -4.821
  955    HB   ILE 121           HB       ILE 121  -7.031  -4.692  -3.475
  956   HG12  ILE 121          HG12      ILE 121  -6.367  -6.449  -1.102
  957   HG13  ILE 121          HG11      ILE 121  -5.653  -4.872  -1.425
  958   HG21  ILE 121          HG21      ILE 121  -8.195  -6.701  -4.307
  959   HG22  ILE 121          HG22      ILE 121  -8.913  -6.047  -2.837
  960   HG23  ILE 121          HG23      ILE 121  -7.896  -7.485  -2.754
  961   HD11  ILE 121          HD11      ILE 121  -8.542  -5.449  -0.826
  962   HD12  ILE 121          HD12      ILE 121  -7.894  -3.866  -1.249
  963   HD13  ILE 121          HD13      ILE 121  -7.375  -4.662   0.234
  964    H    GLY 122           HN       GLY 122  -3.647  -6.438  -2.136
  965    HA2  GLY 122           HA2      GLY 122  -1.873  -4.646  -3.472
  966    HA3  GLY 122           HA1      GLY 122  -2.629  -3.874  -2.092
  967    H    VAL 123           HN       VAL 123   0.084  -4.224  -2.298
  968    HA   VAL 123           HA       VAL 123   0.555  -6.040  -0.029
  969    HB   VAL 123           HB       VAL 123   2.517  -5.483  -2.262
  970   HG11  VAL 123          HG11      VAL 123   2.726  -7.256   0.166
  971   HG12  VAL 123          HG12      VAL 123   3.629  -5.770  -0.129
  972   HG13  VAL 123          HG13      VAL 123   3.905  -7.185  -1.145
  973   HG21  VAL 123          HG21      VAL 123   0.750  -6.979  -3.011
  974   HG22  VAL 123          HG22      VAL 123   1.005  -8.007  -1.600
  975   HG23  VAL 123          HG23      VAL 123   2.268  -7.858  -2.822
  976    H    GLU 124           HN       GLU 124   1.372  -5.045   1.708
  977    HA   GLU 124           HA       GLU 124   2.232  -2.258   1.358
  978    HB2  GLU 124           HB2      GLU 124   0.222  -2.671   2.752
  979    HB3  GLU 124           HB1      GLU 124   1.213  -3.628   3.845
  980    HG2  GLU 124           HG2      GLU 124   2.501  -1.706   4.457
  981    HG3  GLU 124           HG1      GLU 124   1.697  -0.723   3.233
  982    H    LEU 125           HN       LEU 125   4.314  -1.858   1.578
  983    HA   LEU 125           HA       LEU 125   6.094  -3.812   2.768
  984    HB2  LEU 125           HB2      LEU 125   6.733  -1.107   1.575
  985    HB3  LEU 125           HB1      LEU 125   7.895  -2.341   2.004
  986    HG   LEU 125           HG       LEU 125   7.740  -2.427  -0.329
  987   HD11  LEU 125          HD11      LEU 125   6.731  -4.599  -0.825
  988   HD12  LEU 125          HD12      LEU 125   5.941  -4.580   0.751
  989   HD13  LEU 125          HD13      LEU 125   7.701  -4.625   0.647
  990   HD21  LEU 125          HD21      LEU 125   4.736  -2.441  -0.090
  991   HD22  LEU 125          HD22      LEU 125   5.661  -2.542  -1.589
  992   HD23  LEU 125          HD23      LEU 125   5.729  -1.078  -0.608
  993    HA   PRO 126           HA       PRO 126   6.534  -1.958   6.821
  994    HB2  PRO 126           HB2      PRO 126   9.455  -2.192   6.238
  995    HB3  PRO 126           HB1      PRO 126   8.552  -2.700   7.670
  996    HG2  PRO 126           HG2      PRO 126   9.339  -4.498   5.888
  997    HG3  PRO 126           HG1      PRO 126   7.735  -4.617   6.634
  998    HD2  PRO 126           HD2      PRO 126   8.488  -3.700   3.894
  999    HD3  PRO 126           HD1      PRO 126   7.068  -4.619   4.427
 1000    H    LYS 127           HN       LYS 127   6.563   0.099   7.445
 1001    HA   LYS 127           HA       LYS 127   6.802   2.099   5.493
 1002    HB2  LYS 127           HB2      LYS 127   6.609   2.411   8.490
 1003    HB3  LYS 127           HB1      LYS 127   6.311   3.675   7.306
 1004    HG2  LYS 127           HG2      LYS 127   4.717   1.144   7.652
 1005    HG3  LYS 127           HG1      LYS 127   4.221   2.774   8.113
 1006    HD2  LYS 127           HD2      LYS 127   4.342   3.449   5.748
 1007    HD3  LYS 127           HD1      LYS 127   4.775   1.797   5.310
 1008    HE2  LYS 127           HE2      LYS 127   2.419   2.148   4.916
 1009    HE3  LYS 127           HE1      LYS 127   2.634   1.020   6.254
 1010    HZ1  LYS 127           HZ1      LYS 127   0.913   2.651   6.725
 1011    HZ2  LYS 127           HZ2      LYS 127   2.021   3.914   6.524
 1012    HZ3  LYS 127           HZ3      LYS 127   2.208   2.820   7.801
 1013    H    THR 128           HN       THR 128   9.098   0.954   7.860
 1014    HA   THR 128           HA       THR 128  10.964   2.972   6.819
 1015    HB   THR 128           HB       THR 128  12.233   2.704   8.979
 1016    HG1  THR 128           HG1      THR 128  10.532   0.741   9.365
 1017   HG21  THR 128          HG21      THR 128   9.403   3.737   9.191
 1018   HG22  THR 128          HG22      THR 128  10.785   4.638   8.566
 1019   HG23  THR 128          HG23      THR 128  10.738   4.160  10.265
 1020    H    VAL 129           HN       VAL 129  12.294   2.054   5.426
 1021    HA   VAL 129           HA       VAL 129  13.316  -0.636   6.051
 1022    HB   VAL 129           HB       VAL 129  11.976  -0.520   3.975
 1023   HG11  VAL 129          HG11      VAL 129  12.441   1.749   3.280
 1024   HG12  VAL 129          HG12      VAL 129  12.904   0.630   1.999
 1025   HG13  VAL 129          HG13      VAL 129  14.141   1.352   3.027
 1026   HG21  VAL 129          HG21      VAL 129  14.894  -1.056   3.443
 1027   HG22  VAL 129          HG22      VAL 129  13.520  -1.728   2.561
 1028   HG23  VAL 129          HG23      VAL 129  13.790  -2.168   4.247
 1029    H    GLU 130           HN       GLU 130  15.508  -0.950   6.126
 1030    HA   GLU 130           HA       GLU 130  17.145   1.482   5.877
 1031    HB2  GLU 130           HB2      GLU 130  18.715   0.261   7.456
 1032    HB3  GLU 130           HB1      GLU 130  17.186   0.792   8.141
 1033    HG2  GLU 130           HG2      GLU 130  16.301  -1.485   7.866
 1034    HG3  GLU 130           HG1      GLU 130  17.865  -2.001   7.239
 1035    H    LEU 131           HN       LEU 131  18.019   1.442   3.883
 1036    HA   LEU 131           HA       LEU 131  19.002  -1.143   2.890
 1037    HB2  LEU 131           HB2      LEU 131  18.136   1.325   1.391
 1038    HB3  LEU 131           HB1      LEU 131  18.831  -0.092   0.628
 1039    HG   LEU 131           HG       LEU 131  16.195   0.084   2.079
 1040   HD11  LEU 131          HD11      LEU 131  16.932  -0.452  -0.788
 1041   HD12  LEU 131          HD12      LEU 131  16.141   0.988  -0.150
 1042   HD13  LEU 131          HD13      LEU 131  15.305  -0.564  -0.121
 1043   HD21  LEU 131          HD21      LEU 131  17.584  -2.332   0.923
 1044   HD22  LEU 131          HD22      LEU 131  15.903  -2.286   1.452
 1045   HD23  LEU 131          HD23      LEU 131  17.201  -2.048   2.621
 1046    H    THR 132           HN       THR 132  21.027  -1.376   2.143
 1047    HA   THR 132           HA       THR 132  22.967   0.638   2.867
 1048    HB   THR 132           HB       THR 132  23.629  -1.858   1.348
 1049    HG1  THR 132           HG1      THR 132  22.350  -2.758   2.888
 1050   HG21  THR 132          HG21      THR 132  25.627  -1.805   2.737
 1051   HG22  THR 132          HG22      THR 132  24.977  -0.445   3.653
 1052   HG23  THR 132          HG23      THR 132  25.400  -0.240   1.952
 1053    H    VAL 133           HN       VAL 133  23.981   2.017   1.478
 1054    HA   VAL 133           HA       VAL 133  23.059   2.035  -1.272
 1055    HB   VAL 133           HB       VAL 133  23.058   4.170  -0.191
 1056   HG11  VAL 133          HG11      VAL 133  25.100   5.262   0.611
 1057   HG12  VAL 133          HG12      VAL 133  26.005   3.783   0.289
 1058   HG13  VAL 133          HG13      VAL 133  24.737   3.789   1.514
 1059   HG21  VAL 133          HG21      VAL 133  25.313   4.034  -2.189
 1060   HG22  VAL 133          HG22      VAL 133  24.425   5.489  -1.736
 1061   HG23  VAL 133          HG23      VAL 133  23.596   4.172  -2.565
 1062    H    THR 134           HN       THR 134  24.031   0.863  -2.708
 1063    HA   THR 134           HA       THR 134  26.938   0.450  -2.533
 1064    HB   THR 134           HB       THR 134  26.488  -1.520  -4.051
 1065    HG1  THR 134           HG1      THR 134  24.297  -0.632  -4.573
 1066   HG21  THR 134          HG21      THR 134  25.665  -2.972  -2.243
 1067   HG22  THR 134          HG22      THR 134  25.167  -1.545  -1.333
 1068   HG23  THR 134          HG23      THR 134  26.877  -1.831  -1.660
 1069    H    GLU 135           HN       GLU 135  28.086   1.511  -3.963
 1070    HA   GLU 135           HA       GLU 135  28.818   2.512  -5.844
 1071    HB2  GLU 135           HB2      GLU 135  27.845   0.637  -7.112
 1072    HB3  GLU 135           HB1      GLU 135  26.307   1.488  -7.176
 1073    HG2  GLU 135           HG2      GLU 135  27.267   3.237  -8.511
 1074    HG3  GLU 135           HG1      GLU 135  28.876   2.534  -8.341
 1075    H    THR 136           HN       THR 136  28.885   4.566  -5.491
 1076    HA   THR 136           HA       THR 136  26.665   6.235  -6.306
 1077    HB   THR 136           HB       THR 136  26.205   5.897  -3.923
 1078    HG1  THR 136           HG1      THR 136  25.564   7.888  -4.340
 1079   HG21  THR 136          HG21      THR 136  28.963   7.047  -3.471
 1080   HG22  THR 136          HG22      THR 136  28.448   5.397  -3.122
 1081   HG23  THR 136          HG23      THR 136  27.765   6.745  -2.213
 1082    H    GLU 137           HN       GLU 137  27.326   8.441  -6.661
 1083    HA   GLU 137           HA       GLU 137  30.045   8.542  -7.657
 1084    HB2  GLU 137           HB2      GLU 137  27.717  10.452  -7.872
 1085    HB3  GLU 137           HB1      GLU 137  29.299  10.757  -8.574
 1086    HG2  GLU 137           HG2      GLU 137  29.094   8.842 -10.004
 1087    HG3  GLU 137           HG1      GLU 137  27.574   8.390  -9.234
 1088    HA   PRO 138           HA       PRO 138  31.591  11.137  -4.381
 1089    HB2  PRO 138           HB2      PRO 138  33.723  12.217  -5.620
 1090    HB3  PRO 138           HB1      PRO 138  33.683  10.516  -5.140
 1091    HG2  PRO 138           HG2      PRO 138  33.221  11.740  -7.827
 1092    HG3  PRO 138           HG1      PRO 138  34.121  10.273  -7.406
 1093    HD2  PRO 138           HD2      PRO 138  31.558  10.265  -8.377
 1094    HD3  PRO 138           HD1      PRO 138  32.228   8.985  -7.349
 1095    H    GLY 139           HN       GLY 139  32.483  13.511  -4.232
 1096    HA2  GLY 139           HA2      GLY 139  32.230  15.747  -5.257
 1097    HA3  GLY 139           HA1      GLY 139  30.633  15.225  -5.771
 1098    H    ILE 140           HN       ILE 140  31.855  14.359  -2.634
 1099    HA   ILE 140           HA       ILE 140  29.714  15.600  -1.268
 1100    HB   ILE 140           HB       ILE 140  30.697  13.702  -0.226
 1101   HG12  ILE 140          HG12      ILE 140  31.475  16.184   1.319
 1102   HG13  ILE 140          HG11      ILE 140  29.897  15.406   1.328
 1103   HG21  ILE 140          HG21      ILE 140  33.314  15.191  -0.292
 1104   HG22  ILE 140          HG22      ILE 140  32.897  13.722  -1.173
 1105   HG23  ILE 140          HG23      ILE 140  33.044  13.684   0.582
 1106   HD11  ILE 140          HD11      ILE 140  31.158  14.878   3.329
 1107   HD12  ILE 140          HD12      ILE 140  32.460  14.207   2.347
 1108   HD13  ILE 140          HD13      ILE 140  30.877  13.430   2.363
 1109    H    LYS 141           HN       LYS 141  29.447  17.680  -0.929
 1110    HA   LYS 141           HA       LYS 141  31.531  19.586  -1.290
 1111    HB2  LYS 141           HB2      LYS 141  28.780  19.964  -0.091
 1112    HB3  LYS 141           HB1      LYS 141  29.853  21.247  -0.630
 1113    HG2  LYS 141           HG2      LYS 141  28.526  19.162  -2.342
 1114    HG3  LYS 141           HG1      LYS 141  28.168  20.888  -2.289
 1115    HD2  LYS 141           HD2      LYS 141  30.518  21.306  -3.051
 1116    HD3  LYS 141           HD1      LYS 141  30.686  19.566  -3.287
 1117    HE2  LYS 141           HE2      LYS 141  30.142  20.575  -5.393
 1118    HE3  LYS 141           HE1      LYS 141  28.750  19.645  -4.838
 1119    HZ1  LYS 141           HZ1      LYS 141  27.749  21.705  -4.051
 1120    HZ2  LYS 141           HZ2      LYS 141  28.076  21.784  -5.706
 1121    HZ3  LYS 141           HZ3      LYS 141  29.082  22.587  -4.607
 1122    H    GLY 142           HN       GLY 142  30.014  18.070   1.475
 1123    HA2  GLY 142           HA2      GLY 142  31.537  17.747   3.397
 1124    HA3  GLY 142           HA1      GLY 142  31.969  19.439   3.208
 1125    H    ASP 143           HN       ASP 143  29.118  20.088   2.585
 1126    HA   ASP 143           HA       ASP 143  28.237  20.231   5.382
 1127    HB2  ASP 143           HB2      ASP 143  26.985  22.184   4.778
 1128    HB3  ASP 143           HB1      ASP 143  28.588  22.360   4.074
 1129    H    THR 144           HN       THR 144  25.807  20.364   5.626
 1130    HA   THR 144           HA       THR 144  24.451  18.479   3.819
 1131    HB   THR 144           HB       THR 144  24.951  17.332   5.923
 1132    HG1  THR 144           HG1      THR 144  22.241  18.035   5.449
 1133   HG21  THR 144          HG21      THR 144  25.129  19.279   7.388
 1134   HG22  THR 144          HG22      THR 144  23.999  18.096   8.046
 1135   HG23  THR 144          HG23      THR 144  23.391  19.548   7.253
 1136    H    ALA 145           HN       ALA 145  24.626  21.469   4.070
 1137    HA   ALA 145           HA       ALA 145  21.887  22.184   4.805
 1138    HB1  ALA 145           HB1      ALA 145  22.632  24.499   4.557
 1139    HB2  ALA 145           HB2      ALA 145  24.204  23.939   3.987
 1140    HB3  ALA 145           HB3      ALA 145  23.696  23.604   5.642
 1141    H    THR 146           HN       THR 146  23.994  21.815   2.074
 1142    HA   THR 146           HA       THR 146  22.483  23.158   0.128
 1143    HB   THR 146           HB       THR 146  24.801  22.450  -0.257
 1144    HG1  THR 146           HG1      THR 146  23.217  22.690  -2.042
 1145   HG21  THR 146          HG21      THR 146  25.326  20.112  -0.786
 1146   HG22  THR 146          HG22      THR 146  23.678  19.648  -0.365
 1147   HG23  THR 146          HG23      THR 146  24.758  20.287   0.874
 1148    H    GLY 147           HN       GLY 147  20.908  22.477  -1.307
 1149    HA2  GLY 147           HA2      GLY 147  19.355  20.161  -0.402
 1150    HA3  GLY 147           HA1      GLY 147  18.778  21.451  -1.448
 1151    H    ALA 148           HN       ALA 148  21.855  20.266  -2.251
 1152    HA   ALA 148           HA       ALA 148  20.802  19.075  -4.676
 1153    HB1  ALA 148           HB1      ALA 148  22.721  20.588  -4.799
 1154    HB2  ALA 148           HB2      ALA 148  23.119  18.981  -5.405
 1155    HB3  ALA 148           HB3      ALA 148  23.659  19.478  -3.801
 1156    H    THR 149           HN       THR 149  21.367  16.955  -5.390
 1157    HA   THR 149           HA       THR 149  22.316  15.104  -3.318
 1158    HB   THR 149           HB       THR 149  20.594  13.444  -4.153
 1159    HG1  THR 149           HG1      THR 149  18.905  15.501  -4.918
 1160   HG21  THR 149          HG21      THR 149  20.356  14.539  -1.985
 1161   HG22  THR 149          HG22      THR 149  18.781  14.342  -2.754
 1162   HG23  THR 149          HG23      THR 149  19.572  15.919  -2.755
 1163    H    LYS 150           HN       LYS 150  22.633  12.867  -4.380
 1164    HA   LYS 150           HA       LYS 150  23.554  13.125  -7.153
 1165    HB2  LYS 150           HB2      LYS 150  25.558  11.784  -6.572
 1166    HB3  LYS 150           HB1      LYS 150  25.532  13.353  -5.781
 1167    HG2  LYS 150           HG2      LYS 150  24.712  12.260  -3.722
 1168    HG3  LYS 150           HG1      LYS 150  24.864  10.698  -4.530
 1169    HD2  LYS 150           HD2      LYS 150  27.269  11.158  -4.879
 1170    HD3  LYS 150           HD1      LYS 150  27.088  12.659  -3.970
 1171    HE2  LYS 150           HE2      LYS 150  26.436  11.419  -1.994
 1172    HE3  LYS 150           HE1      LYS 150  26.505   9.904  -2.893
 1173    HZ1  LYS 150           HZ1      LYS 150  28.897  10.358  -3.271
 1174    HZ2  LYS 150           HZ2      LYS 150  28.498  10.125  -1.641
 1175    HZ3  LYS 150           HZ3      LYS 150  28.781  11.690  -2.226
 1176    H    SER 151           HN       SER 151  23.419  11.224  -8.365
 1177    HA   SER 151           HA       SER 151  21.272   9.523  -7.570
 1178    HB2  SER 151           HB2      SER 151  21.748  10.326  -9.927
 1179    HB3  SER 151           HB1      SER 151  23.077   9.169  -9.968
 1180    HG   SER 151           HG       SER 151  20.298   8.661  -9.736
 1181    H    ALA 152           HN       ALA 152  21.426   7.790  -6.372
 1182    HA   ALA 152           HA       ALA 152  23.951   6.263  -6.352
 1183    HB1  ALA 152           HB1      ALA 152  23.554   5.798  -3.990
 1184    HB2  ALA 152           HB2      ALA 152  22.092   6.784  -4.035
 1185    HB3  ALA 152           HB3      ALA 152  23.672   7.534  -4.281
 1186    H    THR 153           HN       THR 153  23.682   3.999  -5.678
 1187    HA   THR 153           HA       THR 153  20.999   2.946  -6.300
 1188    HB   THR 153           HB       THR 153  23.650   1.573  -6.814
 1189    HG1  THR 153           HG1      THR 153  21.981   3.197  -8.394
 1190   HG21  THR 153          HG21      THR 153  21.779   0.033  -6.393
 1191   HG22  THR 153          HG22      THR 153  22.310  -0.041  -8.072
 1192   HG23  THR 153          HG23      THR 153  20.839   0.836  -7.651
 1193    H    VAL 154           HN       VAL 154  20.109   1.581  -4.800
 1194    HA   VAL 154           HA       VAL 154  21.748   1.043  -2.443
 1195    HB   VAL 154           HB       VAL 154  19.550   0.339  -1.381
 1196   HG11  VAL 154          HG11      VAL 154  19.848   3.174  -2.368
 1197   HG12  VAL 154          HG12      VAL 154  20.586   2.488  -0.921
 1198   HG13  VAL 154          HG13      VAL 154  18.834   2.666  -1.020
 1199   HG21  VAL 154          HG21      VAL 154  18.443   1.638  -3.872
 1200   HG22  VAL 154          HG22      VAL 154  17.505   1.199  -2.444
 1201   HG23  VAL 154          HG23      VAL 154  18.276  -0.057  -3.414
 1202    H    GLU 155           HN       GLU 155  21.101  -1.104  -1.309
 1203    HA   GLU 155           HA       GLU 155  22.138  -3.219  -2.719
 1204    HB2  GLU 155           HB2      GLU 155  21.151  -4.646  -0.918
 1205    HB3  GLU 155           HB1      GLU 155  22.040  -3.248  -0.327
 1206    HG2  GLU 155           HG2      GLU 155  19.932  -2.049  -0.011
 1207    HG3  GLU 155           HG1      GLU 155  19.050  -3.473  -0.564
 1208    H    THR 156           HN       THR 156  18.804  -2.152  -2.637
 1209    HA   THR 156           HA       THR 156  17.695  -4.592  -3.609
 1210    HB   THR 156           HB       THR 156  15.621  -3.295  -3.928
 1211    HG1  THR 156           HG1      THR 156  15.595  -1.104  -3.582
 1212   HG21  THR 156          HG21      THR 156  16.989  -2.682  -1.308
 1213   HG22  THR 156          HG22      THR 156  16.207  -4.209  -1.712
 1214   HG23  THR 156          HG23      THR 156  15.250  -2.733  -1.597
 1215    H    GLY 157           HN       GLY 157  19.441  -2.129  -5.102
 1216    HA2  GLY 157           HA2      GLY 157  20.071  -2.157  -7.376
 1217    HA3  GLY 157           HA1      GLY 157  18.624  -3.083  -7.743
 1218    H    TYR 158           HN       TYR 158  17.529  -0.797  -5.763
 1219    HA   TYR 158           HA       TYR 158  16.362   0.724  -7.883
 1220    HB2  TYR 158           HB2      TYR 158  15.143   0.164  -5.796
 1221    HB3  TYR 158           HB1      TYR 158  16.250   1.198  -4.902
 1222    HD1  TYR 158           HD1      TYR 158  13.863   1.337  -7.775
 1223    HD2  TYR 158           HD2      TYR 158  15.652   3.402  -4.509
 1224    HE1  TYR 158           HE1      TYR 158  12.378   3.257  -8.178
 1225    HE2  TYR 158           HE2      TYR 158  14.171   5.324  -4.907
 1226    HH   TYR 158           HH       TYR 158  11.435   5.171  -6.825
 1227    H    THR 159           HN       THR 159  16.666   2.864  -8.388
 1228    HA   THR 159           HA       THR 159  19.201   4.023  -7.471
 1229    HB   THR 159           HB       THR 159  17.662   4.697  -9.980
 1230    HG1  THR 159           HG1      THR 159  18.372   2.619 -10.253
 1231   HG21  THR 159          HG21      THR 159  20.513   5.282  -9.164
 1232   HG22  THR 159          HG22      THR 159  19.195   6.452  -9.196
 1233   HG23  THR 159          HG23      THR 159  19.764   5.725 -10.697
 1234    H    LEU 160           HN       LEU 160  19.099   5.779  -6.209
 1235    HA   LEU 160           HA       LEU 160  16.835   7.590  -6.440
 1236    HB2  LEU 160           HB2      LEU 160  16.143   7.478  -4.196
 1237    HB3  LEU 160           HB1      LEU 160  16.248   5.828  -4.746
 1238    HG   LEU 160           HG       LEU 160  17.047   5.713  -2.589
 1239   HD11  LEU 160          HD11      LEU 160  19.576   6.127  -4.159
 1240   HD12  LEU 160          HD12      LEU 160  18.625   4.641  -4.103
 1241   HD13  LEU 160          HD13      LEU 160  19.405   5.245  -2.641
 1242   HD21  LEU 160          HD21      LEU 160  17.102   8.069  -2.103
 1243   HD22  LEU 160          HD22      LEU 160  18.586   8.257  -3.038
 1244   HD23  LEU 160          HD23      LEU 160  18.592   7.299  -1.557
 1245    H    ASN 161           HN       ASN 161  17.175   9.591  -5.134
 1246    HA   ASN 161           HA       ASN 161  19.951  10.388  -5.558
 1247    HB2  ASN 161           HB2      ASN 161  17.459  12.026  -5.055
 1248    HB3  ASN 161           HB1      ASN 161  19.061  12.702  -5.331
 1249   HD21  ASN 161          HD21      ASN 161  19.958  12.606  -7.390
 1250   HD22  ASN 161          HD22      ASN 161  19.013  12.244  -8.789
 1251    H    VAL 162           HN       VAL 162  21.279  10.215  -3.892
 1252    HA   VAL 162           HA       VAL 162  20.276  10.639  -1.164
 1253    HB   VAL 162           HB       VAL 162  22.420   9.636  -0.426
 1254   HG11  VAL 162          HG11      VAL 162  20.495   8.189  -0.714
 1255   HG12  VAL 162          HG12      VAL 162  21.972   7.341  -1.168
 1256   HG13  VAL 162          HG13      VAL 162  20.894   7.964  -2.417
 1257   HG21  VAL 162          HG21      VAL 162  22.916   9.283  -3.378
 1258   HG22  VAL 162          HG22      VAL 162  23.870   8.538  -2.094
 1259   HG23  VAL 162          HG23      VAL 162  23.839  10.295  -2.267
 1260    HA   PRO 163           HA       PRO 163  22.423  14.531  -0.675
 1261    HB2  PRO 163           HB2      PRO 163  23.492  13.426   1.869
 1262    HB3  PRO 163           HB1      PRO 163  22.571  14.907   1.590
 1263    HG2  PRO 163           HG2      PRO 163  21.429  12.792   2.733
 1264    HG3  PRO 163           HG1      PRO 163  20.537  13.799   1.578
 1265    HD2  PRO 163           HD2      PRO 163  21.797  11.119   1.177
 1266    HD3  PRO 163           HD1      PRO 163  20.262  11.747   0.550
 1267    H    LEU 164           HN       LEU 164  24.539  15.406  -0.700
 1268    HA   LEU 164           HA       LEU 164  26.220  13.840  -2.328
 1269    HB2  LEU 164           HB2      LEU 164  26.832  16.469  -0.983
 1270    HB3  LEU 164           HB1      LEU 164  27.680  15.786  -2.357
 1271    HG   LEU 164           HG       LEU 164  24.792  16.669  -2.348
 1272   HD11  LEU 164          HD11      LEU 164  26.393  18.521  -2.182
 1273   HD12  LEU 164          HD12      LEU 164  25.541  18.507  -3.728
 1274   HD13  LEU 164          HD13      LEU 164  27.207  17.931  -3.630
 1275   HD21  LEU 164          HD21      LEU 164  25.125  14.849  -3.894
 1276   HD22  LEU 164          HD22      LEU 164  26.559  15.631  -4.559
 1277   HD23  LEU 164          HD23      LEU 164  24.969  16.358  -4.793
 1278    H    PHE 165           HN       PHE 165  26.108  14.138   1.084
 1279    HA   PHE 165           HA       PHE 165  28.930  13.500   1.411
 1280    HB2  PHE 165           HB2      PHE 165  28.512  13.738   3.829
 1281    HB3  PHE 165           HB1      PHE 165  27.995  15.156   2.928
 1282    HD1  PHE 165           HD1      PHE 165  26.770  12.098   4.626
 1283    HD2  PHE 165           HD2      PHE 165  25.784  15.910   3.015
 1284    HE1  PHE 165           HE1      PHE 165  24.544  11.954   5.654
 1285    HE2  PHE 165           HE2      PHE 165  23.555  15.770   4.039
 1286    HZ   PHE 165           HZ       PHE 165  22.934  13.788   5.359
 1287    H    VAL 166           HN       VAL 166  26.245  11.709   0.773
 1288    HA   VAL 166           HA       VAL 166  26.611   9.585   2.654
 1289    HB   VAL 166           HB       VAL 166  25.115   9.631   0.026
 1290   HG11  VAL 166          HG11      VAL 166  25.781   7.350   0.550
 1291   HG12  VAL 166          HG12      VAL 166  24.048   7.557   0.812
 1292   HG13  VAL 166          HG13      VAL 166  25.153   7.525   2.189
 1293   HG21  VAL 166          HG21      VAL 166  24.232   9.856   2.900
 1294   HG22  VAL 166          HG22      VAL 166  23.137   9.655   1.534
 1295   HG23  VAL 166          HG23      VAL 166  24.138  11.103   1.656
 1296    H    ASN 167           HN       ASN 167  27.775   7.753   2.497
 1297    HA   ASN 167           HA       ASN 167  29.619   7.537   0.216
 1298    HB2  ASN 167           HB2      ASN 167  31.216   6.509   1.806
 1299    HB3  ASN 167           HB1      ASN 167  30.767   8.138   2.298
 1300   HD21  ASN 167          HD21      ASN 167  29.535   8.438   4.143
 1301   HD22  ASN 167          HD22      ASN 167  29.276   7.179   5.299
 1302    H    GLU 168           HN       GLU 168  30.168   5.416  -0.502
 1303    HA   GLU 168           HA       GLU 168  27.983   3.643  -0.598
 1304    HB2  GLU 168           HB2      GLU 168  29.522   2.113  -1.768
 1305    HB3  GLU 168           HB1      GLU 168  29.593   3.747  -2.409
 1306    HG2  GLU 168           HG2      GLU 168  31.653   4.153  -1.175
 1307    HG3  GLU 168           HG1      GLU 168  31.574   2.526  -0.502
 1308    H    GLY 169           HN       GLY 169  27.366   2.047   0.692
 1309    HA2  GLY 169           HA2      GLY 169  27.878   0.193   2.155
 1310    HA3  GLY 169           HA1      GLY 169  29.265   1.101   2.737
 1311    H    ASP 170           HN       ASP 170  27.179   3.462   2.574
 1312    HA   ASP 170           HA       ASP 170  26.558   3.429   5.352
 1313    HB2  ASP 170           HB2      ASP 170  27.042   5.491   4.001
 1314    HB3  ASP 170           HB1      ASP 170  25.466   5.295   3.240
 1315    H    VAL 171           HN       VAL 171  24.504   3.349   6.343
 1316    HA   VAL 171           HA       VAL 171  22.509   1.868   4.770
 1317    HB   VAL 171           HB       VAL 171  22.828   1.997   7.777
 1318   HG11  VAL 171          HG11      VAL 171  20.513   1.637   7.115
 1319   HG12  VAL 171          HG12      VAL 171  21.193   0.164   7.808
 1320   HG13  VAL 171          HG13      VAL 171  21.004   0.311   6.061
 1321   HG21  VAL 171          HG21      VAL 171  23.583  -0.333   7.584
 1322   HG22  VAL 171          HG22      VAL 171  24.661   0.782   6.742
 1323   HG23  VAL 171          HG23      VAL 171  23.517  -0.200   5.826
 1324    H    LEU 172           HN       LEU 172  21.188   3.341   3.914
 1325    HA   LEU 172           HA       LEU 172  20.280   5.596   5.538
 1326    HB2  LEU 172           HB2      LEU 172  19.362   6.477   3.416
 1327    HB3  LEU 172           HB1      LEU 172  21.094   6.218   3.372
 1328    HG   LEU 172           HG       LEU 172  19.349   4.046   2.307
 1329   HD11  LEU 172          HD11      LEU 172  19.965   6.593   0.813
 1330   HD12  LEU 172          HD12      LEU 172  18.369   6.078   1.358
 1331   HD13  LEU 172          HD13      LEU 172  19.225   5.143   0.132
 1332   HD21  LEU 172          HD21      LEU 172  21.203   3.801   0.747
 1333   HD22  LEU 172          HD22      LEU 172  21.792   3.795   2.409
 1334   HD23  LEU 172          HD23      LEU 172  21.974   5.239   1.415
 1335    H    ILE 173           HN       ILE 173  18.158   5.949   6.057
 1336    HA   ILE 173           HA       ILE 173  16.414   3.623   5.725
 1337    HB   ILE 173           HB       ILE 173  16.074   5.978   7.584
 1338   HG12  ILE 173          HG12      ILE 173  17.041   3.170   8.171
 1339   HG13  ILE 173          HG11      ILE 173  18.062   4.603   8.123
 1340   HG21  ILE 173          HG21      ILE 173  13.962   4.911   7.008
 1341   HG22  ILE 173          HG22      ILE 173  14.390   4.571   8.686
 1342   HG23  ILE 173          HG23      ILE 173  14.622   3.334   7.449
 1343   HD11  ILE 173          HD11      ILE 173  16.827   5.541  10.005
 1344   HD12  ILE 173          HD12      ILE 173  17.530   3.975  10.404
 1345   HD13  ILE 173          HD13      ILE 173  15.807   4.103  10.050
 1346    H    ILE 174           HN       ILE 174  14.659   3.693   4.448
 1347    HA   ILE 174           HA       ILE 174  13.752   6.346   3.520
 1348    HB   ILE 174           HB       ILE 174  13.539   3.715   2.028
 1349   HG12  ILE 174          HG12      ILE 174  15.858   4.571   2.108
 1350   HG13  ILE 174          HG11      ILE 174  15.191   4.628   0.480
 1351   HG21  ILE 174          HG21      ILE 174  12.750   5.071   0.151
 1352   HG22  ILE 174          HG22      ILE 174  12.821   6.515   1.162
 1353   HG23  ILE 174          HG23      ILE 174  11.683   5.223   1.549
 1354   HD11  ILE 174          HD11      ILE 174  16.442   6.627   0.916
 1355   HD12  ILE 174          HD12      ILE 174  15.508   6.939   2.378
 1356   HD13  ILE 174          HD13      ILE 174  14.730   7.029   0.798
 1357    H    ASN 175           HN       ASN 175  11.562   6.772   3.627
 1358    HA   ASN 175           HA       ASN 175   9.984   4.910   5.214
 1359    HB2  ASN 175           HB2      ASN 175   9.926   7.353   5.709
 1360    HB3  ASN 175           HB1      ASN 175   9.182   7.621   4.139
 1361   HD21  ASN 175          HD21      ASN 175   8.722   6.549   7.374
 1362   HD22  ASN 175          HD22      ASN 175   7.010   6.314   7.281
 1363    H    THR 176           HN       THR 176   9.359   3.235   3.974
 1364    HA   THR 176           HA       THR 176   8.619   3.439   1.251
 1365    HB   THR 176           HB       THR 176   7.556   1.202   2.893
 1366    HG1  THR 176           HG1      THR 176   9.449   0.684   3.679
 1367   HG21  THR 176          HG21      THR 176   7.345   1.159   0.469
 1368   HG22  THR 176          HG22      THR 176   8.452  -0.107   1.000
 1369   HG23  THR 176          HG23      THR 176   9.085   1.379   0.295
 1370    H    GLY 177           HN       GLY 177   6.757   4.012   0.350
 1371    HA2  GLY 177           HA2      GLY 177   4.325   3.892   0.299
 1372    HA3  GLY 177           HA1      GLY 177   4.343   4.098   2.045
 1373    H    ASP 178           HN       ASP 178   6.272   6.173   2.158
 1374    HA   ASP 178           HA       ASP 178   4.723   8.361   0.962
 1375    HB2  ASP 178           HB2      ASP 178   6.520   8.288   3.380
 1376    HB3  ASP 178           HB1      ASP 178   6.024   9.797   2.624
 1377    H    GLY 179           HN       GLY 179   7.785   6.806   1.018
 1378    HA2  GLY 179           HA2      GLY 179   9.489   6.928  -0.521
 1379    HA3  GLY 179           HA1      GLY 179   8.563   8.145  -1.390
 1380    H    SER 180           HN       SER 180   9.061   8.721   1.927
 1381    HA   SER 180           HA       SER 180  10.681  11.022   1.295
 1382    HB2  SER 180           HB2      SER 180  10.427  11.409   3.821
 1383    HB3  SER 180           HB1      SER 180   8.958  11.474   2.847
 1384    HG   SER 180           HG       SER 180   9.422   9.948   4.927
 1385    H    TYR 181           HN       TYR 181  12.681  11.494   2.354
 1386    HA   TYR 181           HA       TYR 181  14.295   9.076   2.623
 1387    HB2  TYR 181           HB2      TYR 181  14.936  10.796   0.938
 1388    HB3  TYR 181           HB1      TYR 181  15.163  11.952   2.243
 1389    HD1  TYR 181           HD1      TYR 181  17.052  11.665   3.832
 1390    HD2  TYR 181           HD2      TYR 181  16.582   9.153   0.434
 1391    HE1  TYR 181           HE1      TYR 181  19.393  10.946   4.047
 1392    HE2  TYR 181           HE2      TYR 181  18.917   8.423   0.645
 1393    HH   TYR 181           HH       TYR 181  20.782   8.965   3.380
 1394    H    ILE 182           HN       ILE 182  14.947   8.426   4.529
 1395    HA   ILE 182           HA       ILE 182  15.095  10.349   6.749
 1396    HB   ILE 182           HB       ILE 182  14.785   7.332   6.767
 1397   HG12  ILE 182          HG12      ILE 182  12.789   7.962   8.223
 1398   HG13  ILE 182          HG11      ILE 182  13.063   9.622   7.715
 1399   HG21  ILE 182          HG21      ILE 182  15.233   9.131   9.143
 1400   HG22  ILE 182          HG22      ILE 182  16.381   7.955   8.506
 1401   HG23  ILE 182          HG23      ILE 182  14.855   7.410   9.201
 1402   HD11  ILE 182          HD11      ILE 182  12.367   7.297   5.949
 1403   HD12  ILE 182          HD12      ILE 182  12.731   8.926   5.379
 1404   HD13  ILE 182          HD13      ILE 182  11.320   8.642   6.399
 1405    H    SER 183           HN       SER 183  16.972  10.242   8.111
 1406    HA   SER 183           HA       SER 183  19.328  10.097   6.491
 1407    HB2  SER 183           HB2      SER 183  20.428  10.954   8.607
 1408    HB3  SER 183           HB1      SER 183  19.134  11.965   7.961
 1409    HG   SER 183           HG       SER 183  18.469  11.810   9.968
 1410    H    ARG 184           HN       ARG 184  21.385   9.243   7.633
 1411    HA   ARG 184           HA       ARG 184  21.573   6.568   7.505
 1412    HB2  ARG 184           HB2      ARG 184  23.534   7.902   7.705
 1413    HB3  ARG 184           HB1      ARG 184  23.061   8.481   9.295
 1414    HG2  ARG 184           HG2      ARG 184  24.830   6.891   9.534
 1415    HG3  ARG 184           HG1      ARG 184  23.341   6.187  10.168
 1416    HD2  ARG 184           HD2      ARG 184  23.062   5.121   7.877
 1417    HD3  ARG 184           HD1      ARG 184  24.734   5.589   7.578
 1418    HE   ARG 184           HE       ARG 184  23.900   3.808   9.781
 1419   HH11  ARG 184          HH11      ARG 184  26.209   4.782   7.314
 1420   HH12  ARG 184          HH12      ARG 184  27.234   3.394   7.567
 1421   HH21  ARG 184          HH21      ARG 184  25.256   2.000  10.099
 1422   HH22  ARG 184          HH22      ARG 184  26.697   1.824   9.146
 1423    H    GLY 185           HN       GLY 185  21.104   4.789   8.679
 1424    HA2  GLY 185           HA2      GLY 185  19.603   5.092  11.141
 1425    HA3  GLY 185           HA1      GLY 185  19.961   3.582  10.312
  Start of MODEL    4
    1    H1   MET   1           HT1      MET   1 -25.339  -3.531   3.612
    2    H2   MET   1           HT2      MET   1 -24.123  -2.368   3.742
    3    H3   MET   1           HT3      MET   1 -25.674  -2.042   4.332
    4    HA   MET   1           HA       MET   1 -25.467  -3.710   6.014
    5    HB2  MET   1           HB2      MET   1 -22.746  -4.147   4.786
    6    HB3  MET   1           HB1      MET   1 -23.216  -4.768   6.359
    7    HG2  MET   1           HG2      MET   1 -24.997  -6.072   5.315
    8    HG3  MET   1           HG1      MET   1 -24.521  -5.451   3.736
    9    HE1  MET   1           HE1      MET   1 -23.357  -9.183   3.563
   10    HE2  MET   1           HE2      MET   1 -24.289  -7.911   2.772
   11    HE3  MET   1           HE3      MET   1 -24.809  -8.546   4.333
   12    H    ILE   2           HN       ILE   2 -23.434  -1.146   4.862
   13    HA   ILE   2           HA       ILE   2 -22.630  -0.501   7.614
   14    HB   ILE   2           HB       ILE   2 -21.589   0.651   5.027
   15   HG12  ILE   2          HG12      ILE   2 -20.960  -1.704   5.273
   16   HG13  ILE   2          HG11      ILE   2 -19.557  -0.661   5.471
   17   HG21  ILE   2          HG21      ILE   2 -21.405   2.214   6.873
   18   HG22  ILE   2          HG22      ILE   2 -19.812   1.613   6.412
   19   HG23  ILE   2          HG23      ILE   2 -20.607   0.984   7.854
   20   HD11  ILE   2          HD11      ILE   2 -21.114  -1.998   7.675
   21   HD12  ILE   2          HD12      ILE   2 -19.748  -0.906   7.908
   22   HD13  ILE   2          HD13      ILE   2 -19.513  -2.450   7.089
   23    H    SER   3           HN       SER   3 -23.743   1.015   8.635
   24    HA   SER   3           HA       SER   3 -25.622   2.716   7.313
   25    HB2  SER   3           HB2      SER   3 -24.541   2.875  10.141
   26    HB3  SER   3           HB1      SER   3 -26.020   3.628   9.541
   27    HG   SER   3           HG       SER   3 -26.969   1.657   9.361
   28    H    VAL   4           HN       VAL   4 -25.496   4.980   7.044
   29    HA   VAL   4           HA       VAL   4 -22.921   5.874   6.235
   30    HB   VAL   4           HB       VAL   4 -23.969   7.954   5.601
   31   HG11  VAL   4          HG11      VAL   4 -25.723   5.582   4.987
   32   HG12  VAL   4          HG12      VAL   4 -24.273   6.072   4.111
   33   HG13  VAL   4          HG13      VAL   4 -25.706   7.100   4.091
   34   HG21  VAL   4          HG21      VAL   4 -25.382   8.223   7.607
   35   HG22  VAL   4          HG22      VAL   4 -26.459   6.969   6.990
   36   HG23  VAL   4          HG23      VAL   4 -26.270   8.484   6.107
   37    H    ASN   5           HN       ASN   5 -24.423   5.891   9.245
   38    HA   ASN   5           HA       ASN   5 -22.911   8.211  10.184
   39    HB2  ASN   5           HB2      ASN   5 -25.336   7.737  10.880
   40    HB3  ASN   5           HB1      ASN   5 -24.682   6.431  11.862
   41   HD21  ASN   5          HD21      ASN   5 -25.340   7.378  13.778
   42   HD22  ASN   5          HD22      ASN   5 -24.570   8.782  14.433
   43    H    ASP   6           HN       ASP   6 -22.121   5.259   9.412
   44    HA   ASP   6           HA       ASP   6 -20.378   4.822  11.746
   45    HB2  ASP   6           HB2      ASP   6 -21.821   2.833  10.002
   46    HB3  ASP   6           HB1      ASP   6 -20.395   2.376  10.922
   47    H    PHE   7           HN       PHE   7 -18.746   6.068  10.834
   48    HA   PHE   7           HA       PHE   7 -17.204   4.653   8.789
   49    HB2  PHE   7           HB2      PHE   7 -17.944   7.575   8.773
   50    HB3  PHE   7           HB1      PHE   7 -16.480   7.012   7.978
   51    HD1  PHE   7           HD1      PHE   7 -20.044   7.389   7.728
   52    HD2  PHE   7           HD2      PHE   7 -16.688   5.317   6.132
   53    HE1  PHE   7           HE1      PHE   7 -21.344   6.825   5.719
   54    HE2  PHE   7           HE2      PHE   7 -17.984   4.753   4.125
   55    HZ   PHE   7           HZ       PHE   7 -20.317   5.507   3.917
   56    H    LYS   8           HN       LYS   8 -14.902   5.052   8.946
   57    HA   LYS   8           HA       LYS   8 -14.125   6.120  11.573
   58    HB2  LYS   8           HB2      LYS   8 -13.057   3.583  10.318
   59    HB3  LYS   8           HB1      LYS   8 -12.555   4.267  11.857
   60    HG2  LYS   8           HG2      LYS   8 -14.818   3.930  12.733
   61    HG3  LYS   8           HG1      LYS   8 -15.294   3.208  11.195
   62    HD2  LYS   8           HD2      LYS   8 -13.594   1.457  11.520
   63    HD3  LYS   8           HD1      LYS   8 -13.184   2.167  13.083
   64    HE2  LYS   8           HE2      LYS   8 -15.836   0.983  12.274
   65    HE3  LYS   8           HE1      LYS   8 -14.676   0.292  13.406
   66    HZ1  LYS   8           HZ1      LYS   8 -16.170   2.834  13.776
   67    HZ2  LYS   8           HZ2      LYS   8 -15.030   2.208  14.854
   68    HZ3  LYS   8           HZ3      LYS   8 -16.474   1.377  14.577
   69    H    THR   9           HN       THR   9 -11.705   6.509  11.707
   70    HA   THR   9           HA       THR   9 -10.821   8.253   9.740
   71    HB   THR   9           HB       THR   9  -9.083   6.635  11.618
   72    HG1  THR   9           HG1      THR   9 -10.464   9.113  11.944
   73   HG21  THR   9          HG21      THR   9  -7.802   7.778   9.868
   74   HG22  THR   9          HG22      THR   9  -7.524   8.520  11.443
   75   HG23  THR   9          HG23      THR   9  -8.592   9.299  10.278
   76    H    GLY  10           HN       GLY  10 -10.424   4.798  10.029
   77    HA2  GLY  10           HA2      GLY  10  -9.771   4.768   7.178
   78    HA3  GLY  10           HA1      GLY  10  -8.801   3.791   8.280
   79    H    LEU  11           HN       LEU  11 -11.400   3.748   6.265
   80    HA   LEU  11           HA       LEU  11 -12.229   1.161   7.283
   81    HB2  LEU  11           HB2      LEU  11 -13.718   2.784   8.394
   82    HB3  LEU  11           HB1      LEU  11 -14.192   3.414   6.831
   83    HG   LEU  11           HG       LEU  11 -15.175   1.200   6.275
   84   HD11  LEU  11          HD11      LEU  11 -15.523  -0.419   8.083
   85   HD12  LEU  11          HD12      LEU  11 -14.510   0.559   9.145
   86   HD13  LEU  11          HD13      LEU  11 -13.812  -0.201   7.715
   87   HD21  LEU  11          HD21      LEU  11 -17.121   1.418   7.728
   88   HD22  LEU  11          HD22      LEU  11 -16.559   2.997   7.180
   89   HD23  LEU  11          HD23      LEU  11 -16.200   2.454   8.819
   90    H    THR  12           HN       THR  12 -12.778  -0.222   5.660
   91    HA   THR  12           HA       THR  12 -12.398   0.805   2.965
   92    HB   THR  12           HB       THR  12 -12.389  -1.760   2.489
   93    HG1  THR  12           HG1      THR  12 -12.832  -2.776   4.313
   94   HG21  THR  12          HG21      THR  12 -10.449  -0.296   2.267
   95   HG22  THR  12          HG22      THR  12  -9.994  -1.838   2.992
   96   HG23  THR  12          HG23      THR  12 -10.163  -0.403   4.003
   97    H    ILE  13           HN       ILE  13 -13.964   1.092   1.591
   98    HA   ILE  13           HA       ILE  13 -16.576  -0.167   2.106
   99    HB   ILE  13           HB       ILE  13 -15.901   2.661   1.396
  100   HG12  ILE  13          HG12      ILE  13 -17.876   3.060   2.937
  101   HG13  ILE  13          HG11      ILE  13 -17.872   1.331   3.253
  102   HG21  ILE  13          HG21      ILE  13 -18.509   1.354   0.652
  103   HG22  ILE  13          HG22      ILE  13 -17.298   1.987  -0.463
  104   HG23  ILE  13          HG23      ILE  13 -18.176   3.084   0.603
  105   HD11  ILE  13          HD11      ILE  13 -15.652   3.265   3.843
  106   HD12  ILE  13          HD12      ILE  13 -15.568   1.523   4.090
  107   HD13  ILE  13          HD13      ILE  13 -16.722   2.491   5.010
  108    H    SER  14           HN       SER  14 -17.684  -0.998   0.372
  109    HA   SER  14           HA       SER  14 -16.236  -1.005  -2.186
  110    HB2  SER  14           HB2      SER  14 -16.520  -3.241  -1.235
  111    HB3  SER  14           HB1      SER  14 -18.253  -2.977  -1.075
  112    HG   SER  14           HG       SER  14 -18.481  -3.586  -3.054
  113    H    VAL  15           HN       VAL  15 -17.039   0.511  -3.491
  114    HA   VAL  15           HA       VAL  15 -19.918   0.628  -3.875
  115    HB   VAL  15           HB       VAL  15 -19.409   2.357  -2.174
  116   HG11  VAL  15          HG11      VAL  15 -18.188   4.378  -2.808
  117   HG12  VAL  15          HG12      VAL  15 -17.749   3.625  -4.341
  118   HG13  VAL  15          HG13      VAL  15 -17.155   2.949  -2.824
  119   HG21  VAL  15          HG21      VAL  15 -20.555   4.218  -3.304
  120   HG22  VAL  15          HG22      VAL  15 -21.317   2.661  -3.623
  121   HG23  VAL  15          HG23      VAL  15 -20.300   3.414  -4.851
  122    H    ASP  16           HN       ASP  16 -20.532   1.183  -5.914
  123    HA   ASP  16           HA       ASP  16 -20.387   1.295  -8.174
  124    HB2  ASP  16           HB2      ASP  16 -17.902   2.901  -7.543
  125    HB3  ASP  16           HB1      ASP  16 -18.563   2.712  -9.164
  126    H    ASN  17           HN       ASN  17 -19.280  -0.947  -6.778
  127    HA   ASN  17           HA       ASN  17 -18.215  -2.893  -7.221
  128    HB2  ASN  17           HB2      ASN  17 -18.055  -1.667  -9.960
  129    HB3  ASN  17           HB1      ASN  17 -17.403  -3.263  -9.606
  130   HD21  ASN  17          HD21      ASN  17 -19.593  -2.416 -11.368
  131   HD22  ASN  17          HD22      ASN  17 -20.984  -3.304 -10.847
  132    H    ALA  18           HN       ALA  18 -16.740  -0.409  -6.354
  133    HA   ALA  18           HA       ALA  18 -14.059  -1.481  -6.916
  134    HB1  ALA  18           HB1      ALA  18 -13.182   0.834  -6.781
  135    HB2  ALA  18           HB2      ALA  18 -14.847   1.421  -6.734
  136    HB3  ALA  18           HB3      ALA  18 -14.254   0.569  -8.158
  137    H    ILE  19           HN       ILE  19 -12.487  -1.006  -5.242
  138    HA   ILE  19           HA       ILE  19 -13.762  -1.037  -2.597
  139    HB   ILE  19           HB       ILE  19 -11.595  -2.142  -1.861
  140   HG12  ILE  19          HG12      ILE  19 -11.305  -2.452  -4.862
  141   HG13  ILE  19          HG11      ILE  19 -10.222  -1.564  -3.799
  142   HG21  ILE  19          HG21      ILE  19 -13.700  -3.343  -2.104
  143   HG22  ILE  19          HG22      ILE  19 -12.343  -4.351  -2.607
  144   HG23  ILE  19          HG23      ILE  19 -13.373  -3.591  -3.818
  145   HD11  ILE  19          HD11      ILE  19 -10.692  -4.532  -3.777
  146   HD12  ILE  19          HD12      ILE  19  -9.622  -3.653  -2.686
  147   HD13  ILE  19          HD13      ILE  19  -9.275  -3.699  -4.414
  148    H    TRP  20           HN       TRP  20 -13.355   0.536  -1.237
  149    HA   TRP  20           HA       TRP  20 -11.222   2.449  -1.913
  150    HB2  TRP  20           HB2      TRP  20 -13.965   3.077  -0.807
  151    HB3  TRP  20           HB1      TRP  20 -12.744   4.243  -1.280
  152    HD1  TRP  20           HD1      TRP  20 -15.255   1.780  -2.760
  153    HE1  TRP  20           HE1      TRP  20 -15.716   2.410  -5.207
  154    HE3  TRP  20           HE3      TRP  20 -11.758   5.457  -3.297
  155    HZ2  TRP  20           HZ2      TRP  20 -14.716   4.238  -7.120
  156    HZ3  TRP  20           HZ3      TRP  20 -11.574   6.599  -5.467
  157    HH2  TRP  20           HH2      TRP  20 -13.021   6.004  -7.338
  158    H    LYS  21           HN       LYS  21 -10.456   3.741  -0.102
  159    HA   LYS  21           HA       LYS  21 -11.091   2.619   2.532
  160    HB2  LYS  21           HB2      LYS  21  -8.892   1.756   1.793
  161    HB3  LYS  21           HB1      LYS  21  -8.327   3.413   1.619
  162    HG2  LYS  21           HG2      LYS  21  -8.603   3.796   3.992
  163    HG3  LYS  21           HG1      LYS  21  -9.282   2.182   4.199
  164    HD2  LYS  21           HD2      LYS  21  -6.997   2.130   4.910
  165    HD3  LYS  21           HD1      LYS  21  -7.117   1.244   3.390
  166    HE2  LYS  21           HE2      LYS  21  -6.212   3.110   2.171
  167    HE3  LYS  21           HE1      LYS  21  -6.245   4.122   3.614
  168    HZ1  LYS  21           HZ1      LYS  21  -4.580   1.691   3.238
  169    HZ2  LYS  21           HZ2      LYS  21  -4.618   2.643   4.632
  170    HZ3  LYS  21           HZ3      LYS  21  -4.024   3.287   3.187
  171    H    VAL  22           HN       VAL  22 -12.017   4.116   3.667
  172    HA   VAL  22           HA       VAL  22 -11.941   6.876   3.098
  173    HB   VAL  22           HB       VAL  22 -12.800   5.447   5.624
  174   HG11  VAL  22          HG11      VAL  22 -12.242   7.814   6.038
  175   HG12  VAL  22          HG12      VAL  22 -13.967   7.492   6.216
  176   HG13  VAL  22          HG13      VAL  22 -13.363   8.286   4.760
  177   HG21  VAL  22          HG21      VAL  22 -15.062   5.780   4.753
  178   HG22  VAL  22          HG22      VAL  22 -14.081   4.826   3.639
  179   HG23  VAL  22          HG23      VAL  22 -14.395   6.527   3.301
  180    H    ILE  23           HN       ILE  23 -10.361   8.202   3.387
  181    HA   ILE  23           HA       ILE  23  -8.288   7.717   5.363
  182    HB   ILE  23           HB       ILE  23  -8.572   9.938   3.335
  183   HG12  ILE  23          HG12      ILE  23  -8.350   7.707   2.306
  184   HG13  ILE  23          HG11      ILE  23  -6.936   8.710   2.006
  185   HG21  ILE  23          HG21      ILE  23  -6.205  10.370   3.751
  186   HG22  ILE  23          HG22      ILE  23  -6.191   9.121   4.995
  187   HG23  ILE  23          HG23      ILE  23  -7.163  10.577   5.217
  188   HD11  ILE  23          HD11      ILE  23  -6.285   6.439   2.501
  189   HD12  ILE  23          HD12      ILE  23  -7.160   6.494   4.030
  190   HD13  ILE  23          HD13      ILE  23  -5.742   7.515   3.789
  191    H    ASP  24           HN       ASP  24 -10.904   9.938   4.639
  192    HA   ASP  24           HA       ASP  24 -11.149  10.677   7.403
  193    HB2  ASP  24           HB2      ASP  24  -9.396  12.261   6.690
  194    HB3  ASP  24           HB1      ASP  24 -10.447  12.828   5.396
  195    H    PHE  25           HN       PHE  25 -13.276  10.791   7.785
  196    HA   PHE  25           HA       PHE  25 -15.038  11.164   5.464
  197    HB2  PHE  25           HB2      PHE  25 -16.735   9.940   6.710
  198    HB3  PHE  25           HB1      PHE  25 -15.247   9.005   6.657
  199    HD1  PHE  25           HD1      PHE  25 -13.732   9.053   8.693
  200    HD2  PHE  25           HD2      PHE  25 -17.745  10.471   8.741
  201    HE1  PHE  25           HE1      PHE  25 -13.770   8.856  11.144
  202    HE2  PHE  25           HE2      PHE  25 -17.787  10.277  11.192
  203    HZ   PHE  25           HZ       PHE  25 -15.795   9.473  12.394
  204    H    GLN  26           HN       GLN  26 -16.688  12.658   5.488
  205    HA   GLN  26           HA       GLN  26 -16.824  14.418   7.845
  206    HB2  GLN  26           HB2      GLN  26 -15.859  15.547   5.907
  207    HB3  GLN  26           HB1      GLN  26 -17.244  15.093   4.929
  208    HG2  GLN  26           HG2      GLN  26 -17.399  17.402   5.585
  209    HG3  GLN  26           HG1      GLN  26 -18.685  16.469   6.347
  210   HE21  GLN  26          HE21      GLN  26 -15.701  18.178   6.845
  211   HE22  GLN  26          HE22      GLN  26 -15.828  18.306   8.563
  212    H    HIS  27           HN       HIS  27 -18.550  13.555   8.901
  213    HA   HIS  27           HA       HIS  27 -20.978  12.828   7.533
  214    HB2  HIS  27           HB2      HIS  27 -20.235  11.698   9.619
  215    HB3  HIS  27           HB1      HIS  27 -20.462  13.206  10.495
  216    HD1  HIS  27           HD1      HIS  27 -22.685  13.499  11.559
  217    HD2  HIS  27           HD2      HIS  27 -22.785  10.683   8.504
  218    HE1  HIS  27           HE1      HIS  27 -24.998  12.517  11.613
  219    HE2  HIS  27           HE2      HIS  27 -25.077  10.920   9.675
  220    H    VAL  28           HN       VAL  28 -21.802  14.585   6.493
  221    HA   VAL  28           HA       VAL  28 -21.970  17.113   7.970
  222    HB   VAL  28           HB       VAL  28 -20.719  17.305   5.922
  223   HG11  VAL  28          HG11      VAL  28 -21.581  15.411   4.690
  224   HG12  VAL  28          HG12      VAL  28 -21.733  16.877   3.721
  225   HG13  VAL  28          HG13      VAL  28 -23.151  16.200   4.525
  226   HG21  VAL  28          HG21      VAL  28 -22.088  19.220   6.513
  227   HG22  VAL  28          HG22      VAL  28 -23.448  18.550   5.614
  228   HG23  VAL  28          HG23      VAL  28 -21.990  19.053   4.760
  229    H    LYS  29           HN       LYS  29 -23.857  18.110   8.372
  230    HA   LYS  29           HA       LYS  29 -26.295  16.719   7.499
  231    HB2  LYS  29           HB2      LYS  29 -27.375  17.807   9.487
  232    HB3  LYS  29           HB1      LYS  29 -26.132  16.628   9.876
  233    HG2  LYS  29           HG2      LYS  29 -24.549  18.422  10.316
  234    HG3  LYS  29           HG1      LYS  29 -25.773  19.617   9.887
  235    HD2  LYS  29           HD2      LYS  29 -27.195  18.733  11.727
  236    HD3  LYS  29           HD1      LYS  29 -25.861  17.676  12.195
  237    HE2  LYS  29           HE2      LYS  29 -25.891  19.675  13.574
  238    HE3  LYS  29           HE1      LYS  29 -24.446  19.638  12.567
  239    HZ1  LYS  29           HZ1      LYS  29 -25.524  21.176  11.037
  240    HZ2  LYS  29           HZ2      LYS  29 -25.440  21.837  12.589
  241    HZ3  LYS  29           HZ3      LYS  29 -26.904  21.217  12.014
  242    HA   PRO  30           HA       PRO  30 -26.611  20.396   4.877
  243    HB2  PRO  30           HB2      PRO  30 -29.035  18.893   4.053
  244    HB3  PRO  30           HB1      PRO  30 -27.749  19.588   3.062
  245    HG2  PRO  30           HG2      PRO  30 -27.900  16.962   3.445
  246    HG3  PRO  30           HG1      PRO  30 -26.332  17.789   3.401
  247    HD2  PRO  30           HD2      PRO  30 -27.883  16.789   5.754
  248    HD3  PRO  30           HD1      PRO  30 -26.132  16.753   5.458
  249    H    GLY  31           HN       GLY  31 -29.464  18.870   6.382
  250    HA2  GLY  31           HA2      GLY  31 -30.661  20.061   8.121
  251    HA3  GLY  31           HA1      GLY  31 -30.304  21.553   7.269
  252    H    LYS  32           HN       LYS  32 -31.256  18.840   5.378
  253    HA   LYS  32           HA       LYS  32 -33.837  20.173   4.906
  254    HB2  LYS  32           HB2      LYS  32 -33.765  19.104   2.662
  255    HB3  LYS  32           HB1      LYS  32 -32.451  20.236   2.947
  256    HG2  LYS  32           HG2      LYS  32 -30.960  18.344   3.448
  257    HG3  LYS  32           HG1      LYS  32 -32.282  17.233   3.081
  258    HD2  LYS  32           HD2      LYS  32 -32.378  18.045   0.804
  259    HD3  LYS  32           HD1      LYS  32 -31.142  19.255   1.156
  260    HE2  LYS  32           HE2      LYS  32 -29.560  17.427   1.676
  261    HE3  LYS  32           HE1      LYS  32 -30.797  16.261   1.210
  262    HZ1  LYS  32           HZ1      LYS  32 -30.774  17.112  -1.014
  263    HZ2  LYS  32           HZ2      LYS  32 -29.182  16.751  -0.569
  264    HZ3  LYS  32           HZ3      LYS  32 -29.711  18.356  -0.585
  265    H    GLY  33           HN       GLY  33 -32.418  17.353   6.123
  266    HA2  GLY  33           HA2      GLY  33 -34.306  16.032   7.278
  267    HA3  GLY  33           HA1      GLY  33 -34.846  15.767   5.627
  268    H    SER  34           HN       SER  34 -32.423  15.355   4.352
  269    HA   SER  34           HA       SER  34 -31.591  12.802   5.531
  270    HB2  SER  34           HB2      SER  34 -31.093  13.847   2.733
  271    HB3  SER  34           HB1      SER  34 -30.797  12.211   3.315
  272    HG   SER  34           HG       SER  34 -33.249  12.504   3.876
  273    H    ALA  35           HN       ALA  35 -29.597  12.561   6.352
  274    HA   ALA  35           HA       ALA  35 -27.693  14.744   6.121
  275    HB1  ALA  35           HB1      ALA  35 -28.034  13.694   8.302
  276    HB2  ALA  35           HB2      ALA  35 -26.370  13.519   7.748
  277    HB3  ALA  35           HB3      ALA  35 -27.482  12.153   7.644
  278    H    PHE  36           HN       PHE  36 -25.489  14.375   5.460
  279    HA   PHE  36           HA       PHE  36 -25.183  12.124   3.609
  280    HB2  PHE  36           HB2      PHE  36 -24.622  15.035   3.052
  281    HB3  PHE  36           HB1      PHE  36 -23.880  13.742   2.120
  282    HD1  PHE  36           HD1      PHE  36 -27.217  15.006   3.180
  283    HD2  PHE  36           HD2      PHE  36 -24.948  12.927   0.240
  284    HE1  PHE  36           HE1      PHE  36 -29.186  14.946   1.706
  285    HE2  PHE  36           HE2      PHE  36 -26.914  12.860  -1.235
  286    HZ   PHE  36           HZ       PHE  36 -29.038  13.870  -0.503
  287    H    VAL  37           HN       VAL  37 -22.898  11.716   3.053
  288    HA   VAL  37           HA       VAL  37 -21.040  12.671   5.121
  289    HB   VAL  37           HB       VAL  37 -21.227   9.804   4.172
  290   HG11  VAL  37          HG11      VAL  37 -19.567   9.349   5.921
  291   HG12  VAL  37          HG12      VAL  37 -19.455  11.079   6.246
  292   HG13  VAL  37          HG13      VAL  37 -18.947  10.442   4.683
  293   HG21  VAL  37          HG21      VAL  37 -23.083  10.311   5.622
  294   HG22  VAL  37          HG22      VAL  37 -21.996  11.040   6.801
  295   HG23  VAL  37          HG23      VAL  37 -21.918   9.308   6.486
  296    H    ARG  38           HN       ARG  38 -19.805  13.956   3.881
  297    HA   ARG  38           HA       ARG  38 -18.854  13.098   1.289
  298    HB2  ARG  38           HB2      ARG  38 -19.262  15.501   1.765
  299    HB3  ARG  38           HB1      ARG  38 -17.986  15.458   2.977
  300    HG2  ARG  38           HG2      ARG  38 -16.383  14.824   1.194
  301    HG3  ARG  38           HG1      ARG  38 -17.676  15.035   0.012
  302    HD2  ARG  38           HD2      ARG  38 -17.897  17.373   0.654
  303    HD3  ARG  38           HD1      ARG  38 -16.645  17.168   1.877
  304    HE   ARG  38           HE       ARG  38 -15.942  16.577  -0.903
  305   HH11  ARG  38          HH11      ARG  38 -15.749  18.784   1.823
  306   HH12  ARG  38          HH12      ARG  38 -14.392  19.649   1.176
  307   HH21  ARG  38          HH21      ARG  38 -14.163  17.700  -1.735
  308   HH22  ARG  38          HH22      ARG  38 -13.492  19.040  -0.854
  309    H    SER  39           HN       SER  39 -17.569  11.354   1.434
  310    HA   SER  39           HA       SER  39 -15.560  11.312   3.555
  311    HB2  SER  39           HB2      SER  39 -15.360   8.885   2.977
  312    HB3  SER  39           HB1      SER  39 -16.965   9.360   3.527
  313    HG   SER  39           HG       SER  39 -17.601   9.451   1.320
  314    H    LYS  40           HN       LYS  40 -13.455  11.424   3.160
  315    HA   LYS  40           HA       LYS  40 -12.548  11.639   0.384
  316    HB2  LYS  40           HB2      LYS  40 -11.100  12.178   2.996
  317    HB3  LYS  40           HB1      LYS  40 -10.435  12.451   1.392
  318    HG2  LYS  40           HG2      LYS  40 -11.988  14.195   0.955
  319    HG3  LYS  40           HG1      LYS  40 -12.919  13.812   2.404
  320    HD2  LYS  40           HD2      LYS  40 -11.535  15.789   2.751
  321    HD3  LYS  40           HD1      LYS  40 -11.020  14.469   3.799
  322    HE2  LYS  40           HE2      LYS  40  -9.097  15.606   2.845
  323    HE3  LYS  40           HE1      LYS  40  -9.200  13.952   2.247
  324    HZ1  LYS  40           HZ1      LYS  40  -8.667  15.603   0.516
  325    HZ2  LYS  40           HZ2      LYS  40 -10.175  16.330   0.761
  326    HZ3  LYS  40           HZ3      LYS  40 -10.084  14.743   0.187
  327    H    LEU  41           HN       LEU  41 -12.142   9.670  -0.469
  328    HA   LEU  41           HA       LEU  41 -10.637   7.749   1.132
  329    HB2  LEU  41           HB2      LEU  41 -12.169   5.956   0.791
  330    HB3  LEU  41           HB1      LEU  41 -13.071   7.302   1.454
  331    HG   LEU  41           HG       LEU  41 -13.110   6.353  -1.415
  332   HD11  LEU  41          HD11      LEU  41 -15.225   6.339   0.732
  333   HD12  LEU  41          HD12      LEU  41 -14.333   4.933   0.148
  334   HD13  LEU  41          HD13      LEU  41 -15.431   5.792  -0.934
  335   HD21  LEU  41          HD21      LEU  41 -14.573   8.657  -0.134
  336   HD22  LEU  41          HD22      LEU  41 -14.899   8.010  -1.740
  337   HD23  LEU  41          HD23      LEU  41 -13.343   8.762  -1.394
  338    H    ARG  42           HN       ARG  42  -9.590   6.087  -0.106
  339    HA   ARG  42           HA       ARG  42  -9.277   6.937  -2.907
  340    HB2  ARG  42           HB2      ARG  42  -6.948   6.511  -2.815
  341    HB3  ARG  42           HB1      ARG  42  -7.343   7.463  -1.395
  342    HG2  ARG  42           HG2      ARG  42  -7.348   5.375  -0.058
  343    HG3  ARG  42           HG1      ARG  42  -6.806   4.505  -1.497
  344    HD2  ARG  42           HD2      ARG  42  -4.896   6.186  -1.591
  345    HD3  ARG  42           HD1      ARG  42  -5.370   6.647   0.041
  346    HE   ARG  42           HE       ARG  42  -4.755   3.837  -0.528
  347   HH11  ARG  42          HH11      ARG  42  -3.946   6.839   1.086
  348   HH12  ARG  42          HH12      ARG  42  -2.698   6.126   2.057
  349   HH21  ARG  42          HH21      ARG  42  -3.113   2.901   0.742
  350   HH22  ARG  42          HH22      ARG  42  -2.216   3.891   1.856
  351    H    ASN  43           HN       ASN  43  -9.003   5.438  -4.487
  352    HA   ASN  43           HA       ASN  43 -10.247   2.885  -4.027
  353    HB2  ASN  43           HB2      ASN  43 -10.494   4.323  -6.121
  354    HB3  ASN  43           HB1      ASN  43  -8.865   3.818  -6.552
  355   HD21  ASN  43          HD21      ASN  43 -11.259   3.371  -8.023
  356   HD22  ASN  43          HD22      ASN  43 -11.464   1.660  -8.154
  357    H    LEU  44           HN       LEU  44  -9.165   1.181  -3.273
  358    HA   LEU  44           HA       LEU  44  -6.329   1.140  -3.049
  359    HB2  LEU  44           HB2      LEU  44  -8.268  -1.139  -2.706
  360    HB3  LEU  44           HB1      LEU  44  -6.631  -1.068  -2.089
  361    HG   LEU  44           HG       LEU  44  -8.861   0.767  -1.211
  362   HD11  LEU  44          HD11      LEU  44  -8.859  -0.545   0.855
  363   HD12  LEU  44          HD12      LEU  44  -7.706  -1.668   0.137
  364   HD13  LEU  44          HD13      LEU  44  -9.330  -1.519  -0.539
  365   HD21  LEU  44          HD21      LEU  44  -6.658   1.756  -0.970
  366   HD22  LEU  44          HD22      LEU  44  -6.080   0.311  -0.139
  367   HD23  LEU  44          HD23      LEU  44  -7.311   1.326   0.611
  368    H    ARG  45           HN       ARG  45  -8.574   0.048  -5.397
  369    HA   ARG  45           HA       ARG  45  -7.013  -2.022  -6.555
  370    HB2  ARG  45           HB2      ARG  45  -9.474  -1.823  -6.813
  371    HB3  ARG  45           HB1      ARG  45  -9.234  -0.383  -7.794
  372    HG2  ARG  45           HG2      ARG  45  -9.644  -2.208  -9.259
  373    HG3  ARG  45           HG1      ARG  45  -7.938  -1.780  -9.400
  374    HD2  ARG  45           HD2      ARG  45  -8.104  -4.164  -9.314
  375    HD3  ARG  45           HD1      ARG  45  -7.414  -3.603  -7.793
  376    HE   ARG  45           HE       ARG  45 -10.200  -3.832  -7.505
  377   HH11  ARG  45          HH11      ARG  45  -7.341  -5.822  -7.848
  378   HH12  ARG  45          HH12      ARG  45  -8.070  -7.214  -7.107
  379   HH21  ARG  45          HH21      ARG  45 -11.143  -5.660  -6.483
  380   HH22  ARG  45          HH22      ARG  45 -10.213  -7.124  -6.335
  381    H    THR  46           HN       THR  46  -7.340   1.435  -7.162
  382    HA   THR  46           HA       THR  46  -5.405   1.182  -9.355
  383    HB   THR  46           HB       THR  46  -6.344   3.322 -10.191
  384    HG1  THR  46           HG1      THR  46  -8.247   4.100  -9.242
  385   HG21  THR  46          HG21      THR  46  -8.455   2.377 -11.002
  386   HG22  THR  46          HG22      THR  46  -8.352   1.108  -9.780
  387   HG23  THR  46          HG23      THR  46  -7.150   1.191 -11.070
  388    H    GLY  47           HN       GLY  47  -5.862   2.441  -6.238
  389    HA2  GLY  47           HA2      GLY  47  -4.379   3.578  -4.872
  390    HA3  GLY  47           HA1      GLY  47  -3.284   3.719  -6.240
  391    H    ALA  48           HN       ALA  48  -6.562   4.722  -6.609
  392    HA   ALA  48           HA       ALA  48  -5.588   7.432  -7.120
  393    HB1  ALA  48           HB1      ALA  48  -7.666   7.736  -8.359
  394    HB2  ALA  48           HB2      ALA  48  -8.186   6.120  -7.880
  395    HB3  ALA  48           HB3      ALA  48  -6.777   6.320  -8.921
  396    H    ILE  49           HN       ILE  49  -6.386   9.234  -6.149
  397    HA   ILE  49           HA       ILE  49  -7.865   8.831  -3.679
  398    HB   ILE  49           HB       ILE  49  -5.903  10.293  -3.628
  399   HG12  ILE  49          HG12      ILE  49  -6.957  12.298  -2.583
  400   HG13  ILE  49          HG11      ILE  49  -8.514  11.763  -3.202
  401   HG21  ILE  49          HG21      ILE  49  -5.894  12.456  -4.760
  402   HG22  ILE  49          HG22      ILE  49  -7.425  12.056  -5.539
  403   HG23  ILE  49          HG23      ILE  49  -5.976  11.122  -5.911
  404   HD11  ILE  49          HD11      ILE  49  -8.415   9.778  -1.833
  405   HD12  ILE  49          HD12      ILE  49  -8.184  11.213  -0.836
  406   HD13  ILE  49          HD13      ILE  49  -6.800  10.213  -1.276
  407    H    GLN  50           HN       GLN  50  -9.930   9.502  -3.295
  408    HA   GLN  50           HA       GLN  50 -11.334  11.100  -5.284
  409    HB2  GLN  50           HB2      GLN  50 -11.485   8.668  -5.945
  410    HB3  GLN  50           HB1      GLN  50 -12.318   8.371  -4.428
  411    HG2  GLN  50           HG2      GLN  50 -13.924   8.511  -6.187
  412    HG3  GLN  50           HG1      GLN  50 -14.098   9.924  -5.150
  413   HE21  GLN  50          HE21      GLN  50 -11.559   9.507  -7.529
  414   HE22  GLN  50          HE22      GLN  50 -12.094  10.762  -8.591
  415    H    GLU  51           HN       GLU  51 -13.670  11.461  -4.466
  416    HA   GLU  51           HA       GLU  51 -13.988  11.009  -1.606
  417    HB2  GLU  51           HB2      GLU  51 -14.952  13.283  -1.322
  418    HB3  GLU  51           HB1      GLU  51 -13.233  13.293  -1.680
  419    HG2  GLU  51           HG2      GLU  51 -13.732  13.845  -4.015
  420    HG3  GLU  51           HG1      GLU  51 -15.454  13.864  -3.633
  421    H    LYS  52           HN       LYS  52 -16.056  10.519  -1.018
  422    HA   LYS  52           HA       LYS  52 -18.047  10.403  -3.188
  423    HB2  LYS  52           HB2      LYS  52 -17.306   8.257  -1.201
  424    HB3  LYS  52           HB1      LYS  52 -18.792   8.215  -2.133
  425    HG2  LYS  52           HG2      LYS  52 -16.039   8.315  -3.346
  426    HG3  LYS  52           HG1      LYS  52 -16.946   6.830  -3.059
  427    HD2  LYS  52           HD2      LYS  52 -17.916   9.122  -4.760
  428    HD3  LYS  52           HD1      LYS  52 -17.115   7.685  -5.390
  429    HE2  LYS  52           HE2      LYS  52 -18.905   6.293  -4.443
  430    HE3  LYS  52           HE1      LYS  52 -19.710   7.744  -3.851
  431    HZ1  LYS  52           HZ1      LYS  52 -20.690   7.032  -5.912
  432    HZ2  LYS  52           HZ2      LYS  52 -19.193   7.062  -6.691
  433    HZ3  LYS  52           HZ3      LYS  52 -19.894   8.503  -6.153
  434    H    THR  53           HN       THR  53 -20.059  11.036  -2.670
  435    HA   THR  53           HA       THR  53 -20.513  11.856   0.105
  436    HB   THR  53           HB       THR  53 -22.482  13.119  -0.934
  437    HG1  THR  53           HG1      THR  53 -22.335  11.903  -2.958
  438   HG21  THR  53          HG21      THR  53 -20.464  14.261  -0.202
  439   HG22  THR  53          HG22      THR  53 -21.040  14.961  -1.714
  440   HG23  THR  53          HG23      THR  53 -19.662  13.859  -1.720
  441    H    PHE  54           HN       PHE  54 -21.342  10.180   1.183
  442    HA   PHE  54           HA       PHE  54 -23.342   8.463  -0.017
  443    HB2  PHE  54           HB2      PHE  54 -22.162   8.511   2.770
  444    HB3  PHE  54           HB1      PHE  54 -23.269   7.282   2.170
  445    HD1  PHE  54           HD1      PHE  54 -22.505   6.060  -0.016
  446    HD2  PHE  54           HD2      PHE  54 -19.891   8.151   2.614
  447    HE1  PHE  54           HE1      PHE  54 -20.602   4.765  -0.883
  448    HE2  PHE  54           HE2      PHE  54 -17.985   6.856   1.758
  449    HZ   PHE  54           HZ       PHE  54 -18.337   5.164   0.002
  450    H    ARG  55           HN       ARG  55 -25.483   8.216   0.806
  451    HA   ARG  55           HA       ARG  55 -26.456  10.639   2.166
  452    HB2  ARG  55           HB2      ARG  55 -28.559  10.332   0.801
  453    HB3  ARG  55           HB1      ARG  55 -27.134  10.835  -0.093
  454    HG2  ARG  55           HG2      ARG  55 -26.799   8.563  -0.881
  455    HG3  ARG  55           HG1      ARG  55 -28.194   8.022   0.055
  456    HD2  ARG  55           HD2      ARG  55 -28.274  10.061  -2.166
  457    HD3  ARG  55           HD1      ARG  55 -28.713   8.363  -2.334
  458    HE   ARG  55           HE       ARG  55 -30.136  10.026  -0.379
  459   HH11  ARG  55          HH11      ARG  55 -30.158   8.193  -3.371
  460   HH12  ARG  55          HH12      ARG  55 -31.887   8.198  -3.501
  461   HH21  ARG  55          HH21      ARG  55 -32.411  10.007  -0.545
  462   HH22  ARG  55          HH22      ARG  55 -33.165   9.228  -1.900
  463    H    ALA  56           HN       ALA  56 -27.815  10.412   3.830
  464    HA   ALA  56           HA       ALA  56 -28.049   7.952   5.157
  465    HB1  ALA  56           HB1      ALA  56 -29.677  10.461   5.545
  466    HB2  ALA  56           HB2      ALA  56 -28.141  10.084   6.327
  467    HB3  ALA  56           HB3      ALA  56 -29.571   9.115   6.679
  468    H    GLY  57           HN       GLY  57 -29.545   6.399   5.185
  469    HA2  GLY  57           HA2      GLY  57 -31.771   5.560   4.758
  470    HA3  GLY  57           HA1      GLY  57 -31.905   6.731   3.452
  471    H    GLU  58           HN       GLU  58 -29.200   6.237   2.517
  472    HA   GLU  58           HA       GLU  58 -29.652   3.665   1.173
  473    HB2  GLU  58           HB2      GLU  58 -27.713   5.870   0.446
  474    HB3  GLU  58           HB1      GLU  58 -28.111   4.460  -0.523
  475    HG2  GLU  58           HG2      GLU  58 -30.042   6.643   0.210
  476    HG3  GLU  58           HG1      GLU  58 -29.176   6.527  -1.318
  477    H    LYS  59           HN       LYS  59 -28.756   2.130   2.455
  478    HA   LYS  59           HA       LYS  59 -26.445   2.694   4.057
  479    HB2  LYS  59           HB2      LYS  59 -27.969   0.124   3.607
  480    HB3  LYS  59           HB1      LYS  59 -26.698   0.346   4.805
  481    HG2  LYS  59           HG2      LYS  59 -28.015   2.046   5.927
  482    HG3  LYS  59           HG1      LYS  59 -29.275   1.902   4.702
  483    HD2  LYS  59           HD2      LYS  59 -29.647  -0.426   5.375
  484    HD3  LYS  59           HD1      LYS  59 -28.395  -0.263   6.609
  485    HE2  LYS  59           HE2      LYS  59 -29.695   1.504   7.689
  486    HE3  LYS  59           HE1      LYS  59 -30.944   1.345   6.458
  487    HZ1  LYS  59           HZ1      LYS  59 -31.525   0.166   8.481
  488    HZ2  LYS  59           HZ2      LYS  59 -30.126  -0.772   8.368
  489    HZ3  LYS  59           HZ3      LYS  59 -31.336  -0.916   7.195
  490    H    VAL  60           HN       VAL  60 -24.401   1.925   3.847
  491    HA   VAL  60           HA       VAL  60 -23.619   1.671   1.071
  492    HB   VAL  60           HB       VAL  60 -21.841   1.929   3.495
  493   HG11  VAL  60          HG11      VAL  60 -21.378   2.622   0.600
  494   HG12  VAL  60          HG12      VAL  60 -20.698   1.239   1.458
  495   HG13  VAL  60          HG13      VAL  60 -20.237   2.879   1.921
  496   HG21  VAL  60          HG21      VAL  60 -23.458   3.747   3.499
  497   HG22  VAL  60          HG22      VAL  60 -23.064   4.117   1.820
  498   HG23  VAL  60          HG23      VAL  60 -21.851   4.345   3.080
  499    H    GLU  61           HN       GLU  61 -22.238   0.110   0.238
  500    HA   GLU  61           HA       GLU  61 -22.360  -2.516   1.458
  501    HB2  GLU  61           HB2      GLU  61 -22.763  -2.201  -0.966
  502    HB3  GLU  61           HB1      GLU  61 -21.129  -1.587  -1.147
  503    HG2  GLU  61           HG2      GLU  61 -20.252  -3.768  -0.434
  504    HG3  GLU  61           HG1      GLU  61 -21.905  -4.376  -0.331
  505    HA   PRO  62           HA       PRO  62 -18.318  -1.924   3.213
  506    HB2  PRO  62           HB2      PRO  62 -18.061  -4.289   4.428
  507    HB3  PRO  62           HB1      PRO  62 -19.234  -3.093   4.988
  508    HG2  PRO  62           HG2      PRO  62 -19.668  -5.550   3.347
  509    HG3  PRO  62           HG1      PRO  62 -20.669  -4.877   4.646
  510    HD2  PRO  62           HD2      PRO  62 -21.153  -4.548   1.934
  511    HD3  PRO  62           HD1      PRO  62 -21.784  -3.496   3.215
  512    H    ALA  63           HN       ALA  63 -16.188  -2.581   2.947
  513    HA   ALA  63           HA       ALA  63 -15.710  -4.726   0.988
  514    HB1  ALA  63           HB1      ALA  63 -14.073  -2.219   1.337
  515    HB2  ALA  63           HB2      ALA  63 -15.226  -2.502   0.039
  516    HB3  ALA  63           HB3      ALA  63 -13.782  -3.508   0.168
  517    H    MET  64           HN       MET  64 -14.656  -6.386   1.885
  518    HA   MET  64           HA       MET  64 -13.248  -5.918   4.402
  519    HB2  MET  64           HB2      MET  64 -14.156  -8.463   3.059
  520    HB3  MET  64           HB1      MET  64 -13.227  -8.421   4.552
  521    HG2  MET  64           HG2      MET  64 -15.020  -7.166   5.633
  522    HG3  MET  64           HG1      MET  64 -15.950  -7.208   4.138
  523    HE1  MET  64           HE1      MET  64 -18.027  -8.211   5.482
  524    HE2  MET  64           HE2      MET  64 -17.067  -8.142   6.960
  525    HE3  MET  64           HE3      MET  64 -17.910  -9.628   6.526
  526    H    ILE  65           HN       ILE  65 -11.223  -5.359   4.178
  527    HA   ILE  65           HA       ILE  65  -9.567  -6.798   2.224
  528    HB   ILE  65           HB       ILE  65  -9.378  -4.004   3.300
  529   HG12  ILE  65          HG12      ILE  65  -8.811  -3.557   0.882
  530   HG13  ILE  65          HG11      ILE  65  -9.117  -5.257   0.560
  531   HG21  ILE  65          HG21      ILE  65  -7.204  -4.941   3.820
  532   HG22  ILE  65          HG22      ILE  65  -7.072  -3.823   2.462
  533   HG23  ILE  65          HG23      ILE  65  -7.054  -5.564   2.177
  534   HD11  ILE  65          HD11      ILE  65 -11.021  -3.921  -0.059
  535   HD12  ILE  65          HD12      ILE  65 -11.111  -3.246   1.568
  536   HD13  ILE  65          HD13      ILE  65 -11.433  -4.960   1.308
  537    H    GLU  66           HN       GLU  66  -8.208  -8.204   2.987
  538    HA   GLU  66           HA       GLU  66  -7.819  -8.373   5.873
  539    HB2  GLU  66           HB2      GLU  66  -8.694 -10.316   4.604
  540    HB3  GLU  66           HB1      GLU  66  -7.209 -10.352   3.669
  541    HG2  GLU  66           HG2      GLU  66  -5.934 -10.926   5.623
  542    HG3  GLU  66           HG1      GLU  66  -7.362 -10.750   6.645
  543    H    ASN  67           HN       ASN  67  -6.113  -7.250   6.564
  544    HA   ASN  67           HA       ASN  67  -3.754  -6.921   4.916
  545    HB2  ASN  67           HB2      ASN  67  -4.532  -5.874   7.633
  546    HB3  ASN  67           HB1      ASN  67  -2.900  -5.690   7.002
  547   HD21  ASN  67          HD21      ASN  67  -6.217  -4.717   6.703
  548   HD22  ASN  67          HD22      ASN  67  -5.938  -3.381   5.642
  549    H    ARG  68           HN       ARG  68  -2.619  -8.729   4.746
  550    HA   ARG  68           HA       ARG  68  -1.936 -10.210   7.191
  551    HB2  ARG  68           HB2      ARG  68  -1.602 -11.089   4.323
  552    HB3  ARG  68           HB1      ARG  68  -1.430 -12.085   5.765
  553    HG2  ARG  68           HG2      ARG  68  -3.816 -11.744   6.250
  554    HG3  ARG  68           HG1      ARG  68  -3.967 -10.824   4.753
  555    HD2  ARG  68           HD2      ARG  68  -4.710 -13.066   4.363
  556    HD3  ARG  68           HD1      ARG  68  -3.188 -12.813   3.509
  557    HE   ARG  68           HE       ARG  68  -2.176 -13.943   5.576
  558   HH11  ARG  68          HH11      ARG  68  -5.396 -14.641   4.387
  559   HH12  ARG  68          HH12      ARG  68  -5.342 -16.310   4.867
  560   HH21  ARG  68          HH21      ARG  68  -2.114 -16.078   6.246
  561   HH22  ARG  68          HH22      ARG  68  -3.464 -17.142   5.934
  562    H    ARG  69           HN       ARG  69   0.368 -11.174   7.044
  563    HA   ARG  69           HA       ARG  69   2.168  -9.411   5.610
  564    HB2  ARG  69           HB2      ARG  69   3.556  -9.118   7.707
  565    HB3  ARG  69           HB1      ARG  69   2.061  -8.204   7.611
  566    HG2  ARG  69           HG2      ARG  69   1.064 -10.200   8.942
  567    HG3  ARG  69           HG1      ARG  69   2.751 -10.520   9.355
  568    HD2  ARG  69           HD2      ARG  69   1.205  -7.980   9.847
  569    HD3  ARG  69           HD1      ARG  69   1.782  -9.122  11.059
  570    HE   ARG  69           HE       ARG  69   4.085  -8.478  10.265
  571   HH11  ARG  69          HH11      ARG  69   1.372  -6.258   9.964
  572   HH12  ARG  69          HH12      ARG  69   2.364  -4.842  10.064
  573   HH21  ARG  69          HH21      ARG  69   5.371  -6.606  10.377
  574   HH22  ARG  69          HH22      ARG  69   4.639  -5.039  10.288
  575    H    MET  70           HN       MET  70   3.634 -10.499   4.621
  576    HA   MET  70           HA       MET  70   4.223 -13.234   5.529
  577    HB2  MET  70           HB2      MET  70   4.098 -12.121   2.725
  578    HB3  MET  70           HB1      MET  70   4.747 -13.696   3.130
  579    HG2  MET  70           HG2      MET  70   2.521 -13.914   2.269
  580    HG3  MET  70           HG1      MET  70   2.569 -14.402   3.953
  581    HE1  MET  70           HE1      MET  70  -0.082 -14.346   3.949
  582    HE2  MET  70           HE2      MET  70  -0.090 -13.803   2.271
  583    HE3  MET  70           HE3      MET  70  -1.032 -12.936   3.482
  584    H    GLN  71           HN       GLN  71   6.292 -13.875   5.680
  585    HA   GLN  71           HA       GLN  71   8.407 -11.972   5.600
  586    HB2  GLN  71           HB2      GLN  71   8.359 -13.907   7.136
  587    HB3  GLN  71           HB1      GLN  71   8.521 -14.981   5.759
  588    HG2  GLN  71           HG2      GLN  71  10.697 -14.014   5.248
  589    HG3  GLN  71           HG1      GLN  71  10.539 -12.935   6.635
  590   HE21  GLN  71          HE21      GLN  71  10.702 -13.784   8.709
  591   HE22  GLN  71          HE22      GLN  71  11.385 -15.343   9.015
  592    H    TYR  72           HN       TYR  72   9.860 -11.567   4.009
  593    HA   TYR  72           HA       TYR  72   9.097 -12.374   1.374
  594    HB2  TYR  72           HB2      TYR  72   9.869 -10.074   1.864
  595    HB3  TYR  72           HB1      TYR  72  11.468 -10.707   2.235
  596    HD1  TYR  72           HD1      TYR  72   9.065 -11.417  -0.524
  597    HD2  TYR  72           HD2      TYR  72  12.948 -10.065   0.554
  598    HE1  TYR  72           HE1      TYR  72   9.668 -11.288  -2.898
  599    HE2  TYR  72           HE2      TYR  72  13.566  -9.936  -1.825
  600    HH   TYR  72           HH       TYR  72  12.914 -10.794  -3.942
  601    H    LEU  73           HN       LEU  73   9.598 -14.308   0.676
  602    HA   LEU  73           HA       LEU  73  12.411 -15.163   0.794
  603    HB2  LEU  73           HB2      LEU  73   9.837 -16.686   0.531
  604    HB3  LEU  73           HB1      LEU  73  11.311 -17.369  -0.123
  605    HG   LEU  73           HG       LEU  73  10.930 -18.318   2.041
  606   HD11  LEU  73          HD11      LEU  73  12.965 -17.743   3.206
  607   HD12  LEU  73          HD12      LEU  73  13.095 -16.240   2.294
  608   HD13  LEU  73          HD13      LEU  73  13.256 -17.790   1.467
  609   HD21  LEU  73          HD21      LEU  73   9.447 -16.642   2.969
  610   HD22  LEU  73          HD22      LEU  73  10.781 -15.496   3.087
  611   HD23  LEU  73          HD23      LEU  73  10.783 -16.958   4.076
  612    H    TYR  74           HN       TYR  74  12.700 -16.660  -1.416
  613    HA   TYR  74           HA       TYR  74  11.646 -15.156  -3.661
  614    HB2  TYR  74           HB2      TYR  74  13.775 -14.449  -4.520
  615    HB3  TYR  74           HB1      TYR  74  13.631 -13.872  -2.864
  616    HD1  TYR  74           HD1      TYR  74  14.881 -15.085  -1.043
  617    HD2  TYR  74           HD2      TYR  74  15.539 -15.863  -5.172
  618    HE1  TYR  74           HE1      TYR  74  17.033 -16.134  -0.498
  619    HE2  TYR  74           HE2      TYR  74  17.693 -16.914  -4.640
  620    HH   TYR  74           HH       TYR  74  18.605 -17.721  -1.442
  621    H    ALA  75           HN       ALA  75  12.192 -16.024  -5.708
  622    HA   ALA  75           HA       ALA  75  13.459 -18.632  -5.866
  623    HB1  ALA  75           HB1      ALA  75  11.570 -19.724  -6.890
  624    HB2  ALA  75           HB2      ALA  75  10.620 -18.241  -6.816
  625    HB3  ALA  75           HB3      ALA  75  11.062 -19.080  -5.330
  626    H    ASP  76           HN       ASP  76  12.298 -19.020  -8.599
  627    HA   ASP  76           HA       ASP  76  13.891 -17.219 -10.112
  628    HB2  ASP  76           HB2      ASP  76  11.648 -19.085 -10.889
  629    HB3  ASP  76           HB1      ASP  76  12.477 -18.064 -12.056
  630    H    GLY  77           HN       GLY  77  13.287 -15.277 -11.155
  631    HA2  GLY  77           HA2      GLY  77  11.198 -13.979  -9.659
  632    HA3  GLY  77           HA1      GLY  77  12.270 -13.216 -10.818
  633    H    ASP  78           HN       ASP  78   9.714 -15.664 -10.872
  634    HA   ASP  78           HA       ASP  78   8.102 -13.753 -12.419
  635    HB2  ASP  78           HB2      ASP  78   8.169 -16.768 -12.623
  636    HB3  ASP  78           HB1      ASP  78   6.802 -15.815 -13.199
  637    H    ASN  79           HN       ASN  79   8.460 -16.124  -9.944
  638    HA   ASN  79           HA       ASN  79   6.039 -15.160  -8.585
  639    HB2  ASN  79           HB2      ASN  79   7.058 -17.995  -8.850
  640    HB3  ASN  79           HB1      ASN  79   5.946 -17.517  -7.569
  641   HD21  ASN  79          HD21      ASN  79   4.351 -18.905  -8.288
  642   HD22  ASN  79          HD22      ASN  79   3.448 -18.605  -9.738
  643    H    HIS  80           HN       HIS  80   6.604 -14.204  -6.721
  644    HA   HIS  80           HA       HIS  80   9.150 -15.012  -5.491
  645    HB2  HIS  80           HB2      HIS  80   7.508 -12.494  -5.142
  646    HB3  HIS  80           HB1      HIS  80   8.917 -12.883  -4.165
  647    HD1  HIS  80           HD1      HIS  80  10.861 -11.551  -4.941
  648    HD2  HIS  80           HD2      HIS  80   8.427 -12.722  -8.110
  649    HE1  HIS  80           HE1      HIS  80  11.949 -10.634  -7.012
  650    HE2  HIS  80           HE2      HIS  80  10.463 -11.346  -8.915
  651    H    VAL  81           HN       VAL  81   9.191 -15.919  -3.510
  652    HA   VAL  81           HA       VAL  81   6.665 -17.001  -2.621
  653    HB   VAL  81           HB       VAL  81   9.457 -17.510  -1.569
  654   HG11  VAL  81          HG11      VAL  81   6.884 -19.036  -1.147
  655   HG12  VAL  81          HG12      VAL  81   7.731 -18.071   0.062
  656   HG13  VAL  81          HG13      VAL  81   8.480 -19.533  -0.584
  657   HG21  VAL  81          HG21      VAL  81   9.263 -18.146  -3.906
  658   HG22  VAL  81          HG22      VAL  81   7.788 -19.048  -3.559
  659   HG23  VAL  81          HG23      VAL  81   9.328 -19.589  -2.888
  660    H    PHE  82           HN       PHE  82   5.485 -16.191  -0.996
  661    HA   PHE  82           HA       PHE  82   6.867 -14.605   1.062
  662    HB2  PHE  82           HB2      PHE  82   4.203 -14.160  -0.266
  663    HB3  PHE  82           HB1      PHE  82   4.572 -13.457   1.300
  664    HD1  PHE  82           HD1      PHE  82   5.529 -13.514  -2.255
  665    HD2  PHE  82           HD2      PHE  82   5.968 -11.570   1.508
  666    HE1  PHE  82           HE1      PHE  82   6.637 -11.619  -3.367
  667    HE2  PHE  82           HE2      PHE  82   7.071  -9.670   0.398
  668    HZ   PHE  82           HZ       PHE  82   7.407  -9.693  -2.041
  669    H    MET  83           HN       MET  83   6.775 -15.482   3.012
  670    HA   MET  83           HA       MET  83   4.923 -17.710   3.431
  671    HB2  MET  83           HB2      MET  83   7.406 -16.836   4.900
  672    HB3  MET  83           HB1      MET  83   6.361 -18.125   5.473
  673    HG2  MET  83           HG2      MET  83   7.815 -18.080   2.839
  674    HG3  MET  83           HG1      MET  83   8.301 -18.985   4.272
  675    HE1  MET  83           HE1      MET  83   5.421 -19.961   5.357
  676    HE2  MET  83           HE2      MET  83   6.878 -20.953   5.319
  677    HE3  MET  83           HE3      MET  83   5.376 -21.566   4.626
  678    H    ASP  84           HN       ASP  84   3.077 -17.274   4.346
  679    HA   ASP  84           HA       ASP  84   2.370 -14.920   5.669
  680    HB2  ASP  84           HB2      ASP  84   0.721 -16.350   4.656
  681    HB3  ASP  84           HB1      ASP  84   1.143 -17.668   5.737
  682    H    ASN  85           HN       ASN  85   2.977 -14.168   7.565
  683    HA   ASN  85           HA       ASN  85   4.320 -15.845   9.461
  684    HB2  ASN  85           HB2      ASN  85   3.582 -12.926   9.473
  685    HB3  ASN  85           HB1      ASN  85   4.346 -13.703  10.856
  686   HD21  ASN  85          HD21      ASN  85   5.386 -11.554   9.286
  687   HD22  ASN  85          HD22      ASN  85   6.867 -12.112   8.588
  688    H    GLU  86           HN       GLU  86   1.055 -15.069   8.949
  689    HA   GLU  86           HA       GLU  86   0.196 -15.171  11.659
  690    HB2  GLU  86           HB2      GLU  86  -1.381 -15.824   9.163
  691    HB3  GLU  86           HB1      GLU  86  -2.054 -15.504  10.757
  692    HG2  GLU  86           HG2      GLU  86  -0.959 -13.229  10.609
  693    HG3  GLU  86           HG1      GLU  86  -0.655 -13.591   8.912
  694    H    SER  87           HN       SER  87   0.125 -17.625   9.032
  695    HA   SER  87           HA       SER  87   1.528 -19.430  10.692
  696    HB2  SER  87           HB2      SER  87  -0.262 -21.233  10.741
  697    HB3  SER  87           HB1      SER  87  -0.501 -19.877  11.842
  698    HG   SER  87           HG       SER  87  -1.720 -19.070   9.774
  699    H    PHE  88           HN       PHE  88   2.809 -19.325   8.792
  700    HA   PHE  88           HA       PHE  88   3.823 -20.464   7.139
  701    HB2  PHE  88           HB2      PHE  88   2.123 -22.708   8.216
  702    HB3  PHE  88           HB1      PHE  88   3.581 -22.899   7.237
  703    HD1  PHE  88           HD1      PHE  88   2.258 -22.462  10.526
  704    HD2  PHE  88           HD2      PHE  88   5.768 -22.017   8.163
  705    HE1  PHE  88           HE1      PHE  88   3.620 -22.385  12.572
  706    HE2  PHE  88           HE2      PHE  88   7.137 -21.941  10.204
  707    HZ   PHE  88           HZ       PHE  88   6.060 -22.123  12.413
  708    H    GLU  89           HN       GLU  89   1.174 -19.253   6.241
  709    HA   GLU  89           HA       GLU  89   0.440 -21.121   4.153
  710    HB2  GLU  89           HB2      GLU  89  -0.577 -18.360   4.798
  711    HB3  GLU  89           HB1      GLU  89  -1.114 -19.288   3.405
  712    HG2  GLU  89           HG2      GLU  89  -1.851 -21.081   4.933
  713    HG3  GLU  89           HG1      GLU  89  -1.415 -20.050   6.295
  714    H    GLN  90           HN       GLN  90   1.615 -21.324   2.417
  715    HA   GLN  90           HA       GLN  90   3.556 -19.371   1.646
  716    HB2  GLN  90           HB2      GLN  90   2.621 -21.849   0.192
  717    HB3  GLN  90           HB1      GLN  90   4.066 -20.922  -0.184
  718    HG2  GLN  90           HG2      GLN  90   5.008 -21.485   1.983
  719    HG3  GLN  90           HG1      GLN  90   3.547 -22.379   2.395
  720   HE21  GLN  90          HE21      GLN  90   4.668 -24.281   2.689
  721   HE22  GLN  90          HE22      GLN  90   5.315 -25.193   1.372
  722    H    THR  91           HN       THR  91   3.142 -17.614   0.479
  723    HA   THR  91           HA       THR  91   0.884 -17.700  -1.403
  724    HB   THR  91           HB       THR  91   1.877 -15.282   0.108
  725    HG1  THR  91           HG1      THR  91   0.867 -16.749   1.522
  726   HG21  THR  91          HG21      THR  91  -0.213 -14.248  -0.671
  727   HG22  THR  91          HG22      THR  91  -0.590 -15.709  -1.583
  728   HG23  THR  91          HG23      THR  91   0.811 -14.733  -2.023
  729    H    GLU  92           HN       GLU  92   1.479 -17.485  -3.460
  730    HA   GLU  92           HA       GLU  92   4.154 -16.463  -4.062
  731    HB2  GLU  92           HB2      GLU  92   2.140 -17.872  -5.822
  732    HB3  GLU  92           HB1      GLU  92   3.763 -17.405  -6.306
  733    HG2  GLU  92           HG2      GLU  92   4.739 -18.937  -4.758
  734    HG3  GLU  92           HG1      GLU  92   3.163 -19.301  -4.053
  735    H    LEU  93           HN       LEU  93   4.467 -14.517  -4.897
  736    HA   LEU  93           HA       LEU  93   2.136 -13.100  -5.998
  737    HB2  LEU  93           HB2      LEU  93   4.591 -12.065  -4.605
  738    HB3  LEU  93           HB1      LEU  93   3.493 -11.025  -5.487
  739    HG   LEU  93           HG       LEU  93   2.826 -12.660  -3.038
  740   HD11  LEU  93          HD11      LEU  93   2.525 -10.450  -1.997
  741   HD12  LEU  93          HD12      LEU  93   3.111  -9.692  -3.477
  742   HD13  LEU  93          HD13      LEU  93   4.182 -10.725  -2.532
  743   HD21  LEU  93          HD21      LEU  93   0.872 -12.595  -4.405
  744   HD22  LEU  93          HD22      LEU  93   1.113 -10.887  -4.773
  745   HD23  LEU  93          HD23      LEU  93   0.667 -11.385  -3.139
  746    H    SER  94           HN       SER  94   2.283 -12.107  -7.941
  747    HA   SER  94           HA       SER  94   4.291 -13.163  -9.714
  748    HB2  SER  94           HB2      SER  94   1.858 -12.968 -10.322
  749    HB3  SER  94           HB1      SER  94   2.069 -11.219 -10.355
  750    HG   SER  94           HG       SER  94   2.713 -11.484 -12.331
  751    H    SER  95           HN       SER  95   5.465 -11.855 -11.209
  752    HA   SER  95           HA       SER  95   7.087  -9.943 -10.001
  753    HB2  SER  95           HB2      SER  95   7.777  -9.524 -12.459
  754    HB3  SER  95           HB1      SER  95   8.009 -11.141 -11.790
  755    HG   SER  95           HG       SER  95   6.997 -11.494 -13.681
  756    H    ASP  96           HN       ASP  96   4.077  -9.598 -11.654
  757    HA   ASP  96           HA       ASP  96   4.208  -6.936 -12.508
  758    HB2  ASP  96           HB2      ASP  96   1.735  -8.331 -11.465
  759    HB3  ASP  96           HB1      ASP  96   1.799  -6.988 -12.601
  760    H    TYR  97           HN       TYR  97   3.330  -8.324  -9.389
  761    HA   TYR  97           HA       TYR  97   2.763  -5.743  -8.215
  762    HB2  TYR  97           HB2      TYR  97   3.094  -8.462  -6.918
  763    HB3  TYR  97           HB1      TYR  97   2.501  -7.016  -6.116
  764    HD1  TYR  97           HD1      TYR  97   0.254  -6.170  -6.592
  765    HD2  TYR  97           HD2      TYR  97   1.692  -9.740  -8.402
  766    HE1  TYR  97           HE1      TYR  97  -2.047  -6.776  -7.206
  767    HE2  TYR  97           HE2      TYR  97  -0.606 -10.355  -9.025
  768    HH   TYR  97           HH       TYR  97  -2.911  -9.867  -8.248
  769    H    LEU  98           HN       LEU  98   5.300  -8.132  -8.286
  770    HA   LEU  98           HA       LEU  98   6.753  -7.134  -6.088
  771    HB2  LEU  98           HB2      LEU  98   7.142  -9.203  -8.126
  772    HB3  LEU  98           HB1      LEU  98   8.621  -8.519  -7.478
  773    HG   LEU  98           HG       LEU  98   7.840 -10.582  -6.310
  774   HD11  LEU  98          HD11      LEU  98   9.326  -8.969  -5.216
  775   HD12  LEU  98          HD12      LEU  98   8.236  -9.740  -4.066
  776   HD13  LEU  98          HD13      LEU  98   7.924  -8.093  -4.606
  777   HD21  LEU  98          HD21      LEU  98   5.446 -10.198  -6.438
  778   HD22  LEU  98          HD22      LEU  98   5.601  -8.781  -5.398
  779   HD23  LEU  98          HD23      LEU  98   5.955 -10.386  -4.761
  780    H    LYS  99           HN       LYS  99   6.676  -6.169  -9.400
  781    HA   LYS  99           HA       LYS  99   9.193  -4.943  -9.553
  782    HB2  LYS  99           HB2      LYS  99   7.640  -5.218 -11.469
  783    HB3  LYS  99           HB1      LYS  99   6.615  -3.961 -10.792
  784    HG2  LYS  99           HG2      LYS  99   8.446  -2.356 -11.004
  785    HG3  LYS  99           HG1      LYS  99   9.467  -3.616 -11.697
  786    HD2  LYS  99           HD2      LYS  99   7.896  -3.856 -13.561
  787    HD3  LYS  99           HD1      LYS  99   6.881  -2.591 -12.866
  788    HE2  LYS  99           HE2      LYS  99   8.280  -1.702 -14.652
  789    HE3  LYS  99           HE1      LYS  99   8.707  -0.986 -13.100
  790    HZ1  LYS  99           HZ1      LYS  99  10.167  -3.237 -14.369
  791    HZ2  LYS  99           HZ2      LYS  99  10.610  -2.412 -12.961
  792    HZ3  LYS  99           HZ3      LYS  99  10.645  -1.618 -14.452
  793    H    GLU 100           HN       GLU 100   6.232  -3.992  -7.979
  794    HA   GLU 100           HA       GLU 100   7.174  -1.331  -7.354
  795    HB2  GLU 100           HB2      GLU 100   4.781  -2.851  -6.301
  796    HB3  GLU 100           HB1      GLU 100   5.101  -1.141  -6.049
  797    HG2  GLU 100           HG2      GLU 100   4.512  -2.502  -8.665
  798    HG3  GLU 100           HG1      GLU 100   3.458  -1.405  -7.774
  799    H    GLU 101           HN       GLU 101   6.572  -4.355  -5.605
  800    HA   GLU 101           HA       GLU 101   7.456  -3.475  -3.099
  801    HB2  GLU 101           HB2      GLU 101   7.256  -6.205  -4.321
  802    HB3  GLU 101           HB1      GLU 101   7.918  -5.981  -2.715
  803    HG2  GLU 101           HG2      GLU 101   5.647  -6.547  -2.447
  804    HG3  GLU 101           HG1      GLU 101   5.788  -4.829  -2.091
  805    H    LEU 102           HN       LEU 102   9.257  -4.771  -5.832
  806    HA   LEU 102           HA       LEU 102  11.682  -5.206  -4.441
  807    HB2  LEU 102           HB2      LEU 102  11.015  -4.877  -7.352
  808    HB3  LEU 102           HB1      LEU 102  12.673  -5.063  -6.810
  809    HG   LEU 102           HG       LEU 102  10.480  -7.067  -6.272
  810   HD11  LEU 102          HD11      LEU 102  12.678  -7.139  -8.334
  811   HD12  LEU 102          HD12      LEU 102  10.962  -6.905  -8.665
  812   HD13  LEU 102          HD13      LEU 102  11.531  -8.432  -7.991
  813   HD21  LEU 102          HD21      LEU 102  12.243  -7.145  -4.622
  814   HD22  LEU 102          HD22      LEU 102  13.469  -7.171  -5.889
  815   HD23  LEU 102          HD23      LEU 102  12.373  -8.539  -5.693
  816    H    ASN 103           HN       ASN 103  10.139  -2.335  -5.202
  817    HA   ASN 103           HA       ASN 103  12.451  -0.714  -5.576
  818    HB2  ASN 103           HB2      ASN 103   9.687   0.002  -4.571
  819    HB3  ASN 103           HB1      ASN 103  10.957   1.179  -4.882
  820   HD21  ASN 103          HD21      ASN 103   8.341   0.931  -6.100
  821   HD22  ASN 103          HD22      ASN 103   8.603   0.731  -7.798
  822    H    TYR 104           HN       TYR 104  10.548  -1.777  -2.778
  823    HA   TYR 104           HA       TYR 104  12.870  -1.190  -1.089
  824    HB2  TYR 104           HB2      TYR 104  10.060  -0.385  -0.308
  825    HB3  TYR 104           HB1      TYR 104  11.510  -0.164   0.649
  826    HD1  TYR 104           HD1      TYR 104  13.243   1.506  -0.142
  827    HD2  TYR 104           HD2      TYR 104   9.380   1.209  -1.897
  828    HE1  TYR 104           HE1      TYR 104  13.501   3.761  -1.085
  829    HE2  TYR 104           HE2      TYR 104   9.632   3.459  -2.846
  830    HH   TYR 104           HH       TYR 104  12.582   5.099  -2.959
  831    H    LEU 105           HN       LEU 105  13.368  -3.143  -0.283
  832    HA   LEU 105           HA       LEU 105  11.833  -4.315   1.713
  833    HB2  LEU 105           HB2      LEU 105  11.492  -6.597   0.594
  834    HB3  LEU 105           HB1      LEU 105  10.335  -5.330   0.251
  835    HG   LEU 105           HG       LEU 105  11.419  -4.952  -1.938
  836   HD11  LEU 105          HD11      LEU 105  13.681  -5.714  -1.368
  837   HD12  LEU 105          HD12      LEU 105  13.048  -6.524  -2.802
  838   HD13  LEU 105          HD13      LEU 105  13.083  -7.370  -1.254
  839   HD21  LEU 105          HD21      LEU 105  10.588  -6.969  -2.989
  840   HD22  LEU 105          HD22      LEU 105   9.514  -6.482  -1.678
  841   HD23  LEU 105          HD23      LEU 105  10.637  -7.821  -1.446
  842    H    LYS 106           HN       LYS 106  12.749  -6.508   2.370
  843    HA   LYS 106           HA       LYS 106  15.507  -6.935   1.500
  844    HB2  LYS 106           HB2      LYS 106  14.687  -6.562   4.390
  845    HB3  LYS 106           HB1      LYS 106  16.261  -7.123   3.856
  846    HG2  LYS 106           HG2      LYS 106  16.700  -4.996   2.795
  847    HG3  LYS 106           HG1      LYS 106  15.079  -4.431   3.206
  848    HD2  LYS 106           HD2      LYS 106  16.632  -3.505   4.784
  849    HD3  LYS 106           HD1      LYS 106  15.651  -4.717   5.608
  850    HE2  LYS 106           HE2      LYS 106  17.904  -5.015   6.317
  851    HE3  LYS 106           HE1      LYS 106  17.507  -6.352   5.242
  852    HZ1  LYS 106           HZ1      LYS 106  18.624  -5.102   3.437
  853    HZ2  LYS 106           HZ2      LYS 106  19.664  -5.534   4.703
  854    HZ3  LYS 106           HZ3      LYS 106  19.108  -3.945   4.576
  855    H    GLU 107           HN       GLU 107  16.171  -9.080   1.715
  856    HA   GLU 107           HA       GLU 107  14.164 -11.049   1.692
  857    HB2  GLU 107           HB2      GLU 107  17.159 -11.269   1.993
  858    HB3  GLU 107           HB1      GLU 107  16.102 -12.664   1.840
  859    HG2  GLU 107           HG2      GLU 107  15.408 -11.982  -0.347
  860    HG3  GLU 107           HG1      GLU 107  16.281 -10.458  -0.195
  861    H    GLY 108           HN       GLY 108  13.012 -11.764   3.353
  862    HA2  GLY 108           HA2      GLY 108  12.976 -12.976   5.448
  863    HA3  GLY 108           HA1      GLY 108  14.350 -12.017   5.970
  864    H    MET 109           HN       MET 109  12.650  -9.753   4.523
  865    HA   MET 109           HA       MET 109  11.377  -8.921   7.011
  866    HB2  MET 109           HB2      MET 109  12.814  -7.322   5.860
  867    HB3  MET 109           HB1      MET 109  11.818  -7.440   4.415
  868    HG2  MET 109           HG2      MET 109   9.921  -6.538   5.687
  869    HG3  MET 109           HG1      MET 109  10.971  -6.352   7.089
  870    HE1  MET 109           HE1      MET 109  13.694  -5.410   5.807
  871    HE2  MET 109           HE2      MET 109  12.979  -4.647   7.227
  872    HE3  MET 109           HE3      MET 109  13.519  -3.655   5.873
  873    H    GLU 110           HN       GLU 110   9.208  -8.431   7.209
  874    HA   GLU 110           HA       GLU 110   7.515  -9.834   5.311
  875    HB2  GLU 110           HB2      GLU 110   5.830  -9.760   7.064
  876    HB3  GLU 110           HB1      GLU 110   7.349 -10.391   7.681
  877    HG2  GLU 110           HG2      GLU 110   7.792  -7.974   8.443
  878    HG3  GLU 110           HG1      GLU 110   6.058  -7.752   8.211
  879    H    VAL 111           HN       VAL 111   5.954  -8.951   4.118
  880    HA   VAL 111           HA       VAL 111   5.547  -6.036   4.301
  881    HB   VAL 111           HB       VAL 111   4.857  -6.073   1.956
  882   HG11  VAL 111          HG11      VAL 111   7.037  -6.528   0.927
  883   HG12  VAL 111          HG12      VAL 111   7.545  -7.377   2.387
  884   HG13  VAL 111          HG13      VAL 111   7.203  -5.649   2.446
  885   HG21  VAL 111          HG21      VAL 111   5.198  -8.102   0.591
  886   HG22  VAL 111          HG22      VAL 111   3.952  -8.311   1.820
  887   HG23  VAL 111          HG23      VAL 111   5.553  -9.007   2.062
  888    H    GLN 112           HN       GLN 112   3.323  -5.302   3.775
  889    HA   GLN 112           HA       GLN 112   1.436  -7.175   5.004
  890    HB2  GLN 112           HB2      GLN 112   1.314  -4.184   4.648
  891    HB3  GLN 112           HB1      GLN 112  -0.013  -5.141   5.287
  892    HG2  GLN 112           HG2      GLN 112   1.429  -5.890   7.121
  893    HG3  GLN 112           HG1      GLN 112   2.739  -4.900   6.484
  894   HE21  GLN 112          HE21      GLN 112  -0.598  -3.887   6.443
  895   HE22  GLN 112          HE22      GLN 112  -0.432  -2.627   7.613
  896    H    ILE 113           HN       ILE 113   0.596  -8.436   3.475
  897    HA   ILE 113           HA       ILE 113  -0.065  -7.383   0.864
  898    HB   ILE 113           HB       ILE 113  -0.424 -10.163   1.997
  899   HG12  ILE 113          HG12      ILE 113   1.663  -9.027   0.117
  900   HG13  ILE 113          HG11      ILE 113   1.930  -9.480   1.798
  901   HG21  ILE 113          HG21      ILE 113  -0.702  -9.174  -0.841
  902   HG22  ILE 113          HG22      ILE 113  -2.013  -9.722   0.203
  903   HG23  ILE 113          HG23      ILE 113  -0.774 -10.861  -0.328
  904   HD11  ILE 113          HD11      ILE 113   1.169 -11.352  -0.431
  905   HD12  ILE 113          HD12      ILE 113   1.458 -11.802   1.249
  906   HD13  ILE 113          HD13      ILE 113   2.777 -11.164   0.267
  907    H    GLN 114           HN       GLN 114  -2.022  -6.718   0.248
  908    HA   GLN 114           HA       GLN 114  -4.218  -6.987   2.165
  909    HB2  GLN 114           HB2      GLN 114  -3.839  -5.111  -0.177
  910    HB3  GLN 114           HB1      GLN 114  -5.278  -5.164   0.832
  911    HG2  GLN 114           HG2      GLN 114  -3.872  -4.613   2.790
  912    HG3  GLN 114           HG1      GLN 114  -2.494  -4.440   1.703
  913   HE21  GLN 114          HE21      GLN 114  -3.835  -2.514   3.456
  914   HE22  GLN 114          HE22      GLN 114  -4.288  -1.190   2.440
  915    H    THR 115           HN       THR 115  -5.429  -8.721   1.788
  916    HA   THR 115           HA       THR 115  -6.091  -9.371  -0.989
  917    HB   THR 115           HB       THR 115  -6.867 -11.564  -0.080
  918    HG1  THR 115           HG1      THR 115  -7.236 -11.162   2.065
  919   HG21  THR 115          HG21      THR 115  -4.638 -11.330  -1.047
  920   HG22  THR 115          HG22      THR 115  -4.610 -12.459   0.310
  921   HG23  THR 115          HG23      THR 115  -4.005 -10.813   0.516
  922    H    TYR 116           HN       TYR 116  -8.056  -9.013  -1.733
  923    HA   TYR 116           HA       TYR 116 -10.241  -8.500   0.160
  924    HB2  TYR 116           HB2      TYR 116  -9.865  -6.605  -1.288
  925    HB3  TYR 116           HB1      TYR 116  -9.833  -7.639  -2.712
  926    HD1  TYR 116           HD1      TYR 116 -11.748  -7.869  -3.983
  927    HD2  TYR 116           HD2      TYR 116 -12.117  -6.600   0.060
  928    HE1  TYR 116           HE1      TYR 116 -14.152  -7.498  -4.326
  929    HE2  TYR 116           HE2      TYR 116 -14.523  -6.224  -0.273
  930    HH   TYR 116           HH       TYR 116 -16.210  -7.394  -2.971
  931    H    GLU 117           HN       GLU 117 -11.405 -10.261   0.475
  932    HA   GLU 117           HA       GLU 117 -12.502 -12.221   0.155
  933    HB2  GLU 117           HB2      GLU 117 -12.641 -11.254  -2.707
  934    HB3  GLU 117           HB1      GLU 117 -13.577 -12.586  -2.044
  935    HG2  GLU 117           HG2      GLU 117 -13.731  -9.716  -1.149
  936    HG3  GLU 117           HG1      GLU 117 -14.888 -10.534  -2.197
  937    H    GLY 118           HN       GLY 118  -9.602 -12.075  -0.099
  938    HA2  GLY 118           HA2      GLY 118  -8.153 -13.948  -0.218
  939    HA3  GLY 118           HA1      GLY 118  -9.208 -14.659  -1.425
  940    H    GLU 119           HN       GLU 119  -9.177 -11.826  -2.696
  941    HA   GLU 119           HA       GLU 119  -7.048 -12.506  -4.532
  942    HB2  GLU 119           HB2      GLU 119  -9.194 -11.835  -5.435
  943    HB3  GLU 119           HB1      GLU 119  -9.118 -10.308  -4.568
  944    HG2  GLU 119           HG2      GLU 119  -7.163  -9.663  -5.896
  945    HG3  GLU 119           HG1      GLU 119  -7.284 -11.179  -6.788
  946    H    THR 120           HN       THR 120  -5.068 -11.638  -4.510
  947    HA   THR 120           HA       THR 120  -4.297  -9.605  -2.682
  948    HB   THR 120           HB       THR 120  -2.828 -10.627  -5.126
  949    HG1  THR 120           HG1      THR 120  -3.070 -12.318  -3.711
  950   HG21  THR 120          HG21      THR 120  -0.817  -9.760  -4.014
  951   HG22  THR 120          HG22      THR 120  -1.819  -9.090  -2.726
  952   HG23  THR 120          HG23      THR 120  -1.963  -8.466  -4.370
  953    H    ILE 121           HN       ILE 121  -5.298  -7.668  -2.926
  954    HA   ILE 121           HA       ILE 121  -5.674  -6.526  -5.561
  955    HB   ILE 121           HB       ILE 121  -6.755  -4.660  -4.411
  956   HG12  ILE 121          HG12      ILE 121  -6.097  -6.121  -1.841
  957   HG13  ILE 121          HG11      ILE 121  -5.273  -4.670  -2.398
  958   HG21  ILE 121          HG21      ILE 121  -7.629  -7.375  -3.437
  959   HG22  ILE 121          HG22      ILE 121  -8.105  -6.584  -4.940
  960   HG23  ILE 121          HG23      ILE 121  -8.620  -5.918  -3.391
  961   HD11  ILE 121          HD11      ILE 121  -7.371  -3.431  -2.252
  962   HD12  ILE 121          HD12      ILE 121  -6.919  -4.147  -0.705
  963   HD13  ILE 121          HD13      ILE 121  -8.185  -4.889  -1.683
  964    H    GLY 122           HN       GLY 122  -3.549  -6.194  -2.829
  965    HA2  GLY 122           HA2      GLY 122  -1.602  -4.809  -4.376
  966    HA3  GLY 122           HA1      GLY 122  -2.412  -3.720  -3.260
  967    H    VAL 123           HN       VAL 123   0.300  -4.267  -3.133
  968    HA   VAL 123           HA       VAL 123   0.423  -5.681  -0.557
  969    HB   VAL 123           HB       VAL 123   2.631  -5.553  -2.617
  970   HG11  VAL 123          HG11      VAL 123   3.504  -5.565  -0.363
  971   HG12  VAL 123          HG12      VAL 123   3.778  -7.138  -1.115
  972   HG13  VAL 123          HG13      VAL 123   2.476  -6.933   0.057
  973   HG21  VAL 123          HG21      VAL 123   0.916  -7.882  -1.760
  974   HG22  VAL 123          HG22      VAL 123   2.281  -7.960  -2.871
  975   HG23  VAL 123          HG23      VAL 123   0.835  -7.054  -3.314
  976    H    GLU 124           HN       GLU 124   1.100  -4.483   1.094
  977    HA   GLU 124           HA       GLU 124   2.061  -1.795   0.506
  978    HB2  GLU 124           HB2      GLU 124   0.168  -2.230   2.132
  979    HB3  GLU 124           HB1      GLU 124   1.370  -2.934   3.206
  980    HG2  GLU 124           HG2      GLU 124   2.601  -0.792   3.158
  981    HG3  GLU 124           HG1      GLU 124   1.293  -0.101   2.202
  982    H    LEU 125           HN       LEU 125   4.112  -1.306   0.628
  983    HA   LEU 125           HA       LEU 125   6.067  -3.218   1.507
  984    HB2  LEU 125           HB2      LEU 125   6.278  -0.397   0.444
  985    HB3  LEU 125           HB1      LEU 125   7.674  -1.340   0.914
  986    HG   LEU 125           HG       LEU 125   7.042  -3.025  -0.833
  987   HD11  LEU 125          HD11      LEU 125   5.088  -0.896  -1.687
  988   HD12  LEU 125          HD12      LEU 125   4.673  -2.486  -1.047
  989   HD13  LEU 125          HD13      LEU 125   5.500  -2.348  -2.598
  990   HD21  LEU 125          HD21      LEU 125   8.780  -1.480  -1.318
  991   HD22  LEU 125          HD22      LEU 125   7.625  -0.191  -1.650
  992   HD23  LEU 125          HD23      LEU 125   7.746  -1.568  -2.743
  993    HA   PRO 126           HA       PRO 126   6.830  -2.066   5.703
  994    HB2  PRO 126           HB2      PRO 126   9.518  -1.257   5.509
  995    HB3  PRO 126           HB1      PRO 126   8.934  -2.877   5.891
  996    HG2  PRO 126           HG2      PRO 126   9.842  -1.759   3.281
  997    HG3  PRO 126           HG1      PRO 126  10.053  -3.392   3.939
  998    HD2  PRO 126           HD2      PRO 126   8.255  -2.923   2.038
  999    HD3  PRO 126           HD1      PRO 126   7.876  -4.021   3.383
 1000    H    LYS 127           HN       LYS 127   6.220  -0.303   6.702
 1001    HA   LYS 127           HA       LYS 127   5.956   2.197   5.507
 1002    HB2  LYS 127           HB2      LYS 127   6.097   1.612   8.475
 1003    HB3  LYS 127           HB1      LYS 127   5.374   3.028   7.727
 1004    HG2  LYS 127           HG2      LYS 127   3.686   1.608   6.667
 1005    HG3  LYS 127           HG1      LYS 127   4.408   0.188   7.422
 1006    HD2  LYS 127           HD2      LYS 127   3.960   1.206   9.639
 1007    HD3  LYS 127           HD1      LYS 127   3.139   2.539   8.827
 1008    HE2  LYS 127           HE2      LYS 127   2.344  -0.371   8.702
 1009    HE3  LYS 127           HE1      LYS 127   1.551   0.872   9.664
 1010    HZ1  LYS 127           HZ1      LYS 127   1.618   0.614   6.707
 1011    HZ2  LYS 127           HZ2      LYS 127   1.149   2.046   7.484
 1012    HZ3  LYS 127           HZ3      LYS 127   0.268   0.626   7.733
 1013    H    THR 128           HN       THR 128   8.483   0.918   7.606
 1014    HA   THR 128           HA       THR 128  10.230   3.084   6.679
 1015    HB   THR 128           HB       THR 128  11.389   2.984   8.921
 1016    HG1  THR 128           HG1      THR 128  10.076   0.927   9.401
 1017   HG21  THR 128          HG21      THR 128   9.914   4.848   8.358
 1018   HG22  THR 128          HG22      THR 128   9.757   4.429  10.065
 1019   HG23  THR 128          HG23      THR 128   8.518   3.925   8.916
 1020    H    VAL 129           HN       VAL 129  11.655   2.096   5.395
 1021    HA   VAL 129           HA       VAL 129  12.554  -0.602   6.166
 1022    HB   VAL 129           HB       VAL 129  11.308  -0.426   4.015
 1023   HG11  VAL 129          HG11      VAL 129  11.988   1.738   3.242
 1024   HG12  VAL 129          HG12      VAL 129  12.524   0.539   2.065
 1025   HG13  VAL 129          HG13      VAL 129  13.680   1.241   3.195
 1026   HG21  VAL 129          HG21      VAL 129  12.885  -1.771   2.701
 1027   HG22  VAL 129          HG22      VAL 129  12.852  -2.263   4.393
 1028   HG23  VAL 129          HG23      VAL 129  14.189  -1.287   3.785
 1029    H    GLU 130           HN       GLU 130  14.728  -1.036   6.291
 1030    HA   GLU 130           HA       GLU 130  16.513   1.261   5.935
 1031    HB2  GLU 130           HB2      GLU 130  18.081  -0.091   7.423
 1032    HB3  GLU 130           HB1      GLU 130  16.663   0.610   8.185
 1033    HG2  GLU 130           HG2      GLU 130  15.539  -1.563   8.058
 1034    HG3  GLU 130           HG1      GLU 130  16.988  -2.256   7.330
 1035    H    LEU 131           HN       LEU 131  17.243   1.191   3.934
 1036    HA   LEU 131           HA       LEU 131  18.183  -1.377   2.857
 1037    HB2  LEU 131           HB2      LEU 131  17.451   1.186   1.439
 1038    HB3  LEU 131           HB1      LEU 131  18.041  -0.260   0.646
 1039    HG   LEU 131           HG       LEU 131  15.435   0.008   2.143
 1040   HD11  LEU 131          HD11      LEU 131  14.425  -0.270  -0.055
 1041   HD12  LEU 131          HD12      LEU 131  16.024  -0.318  -0.795
 1042   HD13  LEU 131          HD13      LEU 131  15.458   1.157  -0.008
 1043   HD21  LEU 131          HD21      LEU 131  14.974  -2.254   1.277
 1044   HD22  LEU 131          HD22      LEU 131  16.322  -2.227   2.414
 1045   HD23  LEU 131          HD23      LEU 131  16.632  -2.345   0.681
 1046    H    THR 132           HN       THR 132  20.277  -1.657   2.399
 1047    HA   THR 132           HA       THR 132  22.172   0.330   3.218
 1048    HB   THR 132           HB       THR 132  22.920  -2.082   1.604
 1049    HG1  THR 132           HG1      THR 132  21.476  -2.960   3.060
 1050   HG21  THR 132          HG21      THR 132  24.138  -0.792   4.051
 1051   HG22  THR 132          HG22      THR 132  24.649  -0.493   2.391
 1052   HG23  THR 132          HG23      THR 132  24.841  -2.099   3.097
 1053    H    VAL 133           HN       VAL 133  23.180   1.826   1.974
 1054    HA   VAL 133           HA       VAL 133  22.403   2.046  -0.781
 1055    HB   VAL 133           HB       VAL 133  22.560   4.076   0.501
 1056   HG11  VAL 133          HG11      VAL 133  24.261   3.494   2.097
 1057   HG12  VAL 133          HG12      VAL 133  24.711   4.981   1.259
 1058   HG13  VAL 133          HG13      VAL 133  25.482   3.453   0.825
 1059   HG21  VAL 133          HG21      VAL 133  24.703   3.951  -1.612
 1060   HG22  VAL 133          HG22      VAL 133  23.940   5.421  -1.005
 1061   HG23  VAL 133          HG23      VAL 133  22.983   4.229  -1.884
 1062    H    THR 134           HN       THR 134  23.257   0.741  -2.184
 1063    HA   THR 134           HA       THR 134  26.111   0.064  -2.007
 1064    HB   THR 134           HB       THR 134  25.504  -1.841  -3.533
 1065    HG1  THR 134           HG1      THR 134  23.374  -0.613  -4.008
 1066   HG21  THR 134          HG21      THR 134  25.737  -2.193  -1.123
 1067   HG22  THR 134          HG22      THR 134  24.456  -3.208  -1.783
 1068   HG23  THR 134          HG23      THR 134  24.049  -1.745  -0.886
 1069    H    GLU 135           HN       GLU 135  27.312   1.220  -3.295
 1070    HA   GLU 135           HA       GLU 135  28.198   2.169  -5.135
 1071    HB2  GLU 135           HB2      GLU 135  27.152   0.358  -6.473
 1072    HB3  GLU 135           HB1      GLU 135  25.717   1.358  -6.650
 1073    HG2  GLU 135           HG2      GLU 135  27.001   3.034  -7.840
 1074    HG3  GLU 135           HG1      GLU 135  28.472   2.093  -7.611
 1075    H    THR 136           HN       THR 136  28.227   4.105  -4.319
 1076    HA   THR 136           HA       THR 136  26.487   6.060  -5.555
 1077    HB   THR 136           HB       THR 136  25.378   5.679  -3.381
 1078    HG1  THR 136           HG1      THR 136  25.550   7.848  -4.278
 1079   HG21  THR 136          HG21      THR 136  28.034   6.456  -2.176
 1080   HG22  THR 136          HG22      THR 136  27.272   4.868  -2.088
 1081   HG23  THR 136          HG23      THR 136  26.528   6.248  -1.282
 1082    H    GLU 137           HN       GLU 137  27.553   8.153  -5.600
 1083    HA   GLU 137           HA       GLU 137  30.440   7.887  -5.599
 1084    HB2  GLU 137           HB2      GLU 137  28.628  10.165  -6.412
 1085    HB3  GLU 137           HB1      GLU 137  30.380  10.197  -6.544
 1086    HG2  GLU 137           HG2      GLU 137  28.584   8.217  -7.924
 1087    HG3  GLU 137           HG1      GLU 137  29.269   9.662  -8.667
 1088    HA   PRO 138           HA       PRO 138  30.259   9.758  -1.503
 1089    HB2  PRO 138           HB2      PRO 138  32.343   8.493  -0.445
 1090    HB3  PRO 138           HB1      PRO 138  30.849   7.619  -0.803
 1091    HG2  PRO 138           HG2      PRO 138  33.433   7.637  -2.283
 1092    HG3  PRO 138           HG1      PRO 138  32.285   6.312  -2.039
 1093    HD2  PRO 138           HD2      PRO 138  32.491   7.956  -4.320
 1094    HD3  PRO 138           HD1      PRO 138  31.174   6.829  -3.946
 1095    H    GLY 139           HN       GLY 139  31.873  10.939  -0.139
 1096    HA2  GLY 139           HA2      GLY 139  33.592  12.420   0.190
 1097    HA3  GLY 139           HA1      GLY 139  34.374  11.737  -1.228
 1098    H    ILE 140           HN       ILE 140  31.171  12.946  -1.602
 1099    HA   ILE 140           HA       ILE 140  32.181  15.074  -3.301
 1100    HB   ILE 140           HB       ILE 140  29.340  14.162  -2.795
 1101   HG12  ILE 140          HG12      ILE 140  31.206  13.736  -5.141
 1102   HG13  ILE 140          HG11      ILE 140  30.669  12.504  -4.004
 1103   HG21  ILE 140          HG21      ILE 140  29.410  16.524  -3.384
 1104   HG22  ILE 140          HG22      ILE 140  28.743  15.574  -4.712
 1105   HG23  ILE 140          HG23      ILE 140  30.405  16.157  -4.793
 1106   HD11  ILE 140          HD11      ILE 140  28.371  12.799  -4.794
 1107   HD12  ILE 140          HD12      ILE 140  29.467  12.337  -6.095
 1108   HD13  ILE 140          HD13      ILE 140  28.933  14.011  -5.945
 1109    H    LYS 141           HN       LYS 141  32.422  17.077  -2.619
 1110    HA   LYS 141           HA       LYS 141  31.312  17.842  -0.035
 1111    HB2  LYS 141           HB2      LYS 141  33.365  19.162  -1.818
 1112    HB3  LYS 141           HB1      LYS 141  32.762  19.888  -0.337
 1113    HG2  LYS 141           HG2      LYS 141  34.780  18.901   0.277
 1114    HG3  LYS 141           HG1      LYS 141  33.554  17.762   0.829
 1115    HD2  LYS 141           HD2      LYS 141  33.924  16.408  -1.187
 1116    HD3  LYS 141           HD1      LYS 141  35.172  17.542  -1.710
 1117    HE2  LYS 141           HE2      LYS 141  36.463  17.041   0.307
 1118    HE3  LYS 141           HE1      LYS 141  35.217  15.905   0.822
 1119    HZ1  LYS 141           HZ1      LYS 141  36.928  15.687  -1.591
 1120    HZ2  LYS 141           HZ2      LYS 141  35.650  14.639  -1.231
 1121    HZ3  LYS 141           HZ3      LYS 141  36.998  14.714  -0.208
 1122    H    GLY 142           HN       GLY 142  30.658  20.264   0.061
 1123    HA2  GLY 142           HA2      GLY 142  29.618  22.050  -1.306
 1124    HA3  GLY 142           HA1      GLY 142  28.839  20.762  -2.216
 1125    H    ASP 143           HN       ASP 143  28.880  19.630   0.786
 1126    HA   ASP 143           HA       ASP 143  27.441  19.427   2.517
 1127    HB2  ASP 143           HB2      ASP 143  26.747  22.291   1.822
 1128    HB3  ASP 143           HB1      ASP 143  26.238  21.463   3.288
 1129    H    THR 144           HN       THR 144  24.887  20.081   3.032
 1130    HA   THR 144           HA       THR 144  23.246  19.759   0.668
 1131    HB   THR 144           HB       THR 144  23.226  17.605   2.805
 1132    HG1  THR 144           HG1      THR 144  24.637  17.863   0.474
 1133   HG21  THR 144          HG21      THR 144  21.655  17.874   0.237
 1134   HG22  THR 144          HG22      THR 144  21.011  18.028   1.873
 1135   HG23  THR 144          HG23      THR 144  21.629  16.476   1.310
 1136    H    ALA 145           HN       ALA 145  22.355  21.745   1.344
 1137    HA   ALA 145           HA       ALA 145  20.665  21.552   3.749
 1138    HB1  ALA 145           HB1      ALA 145  22.649  22.903   4.239
 1139    HB2  ALA 145           HB2      ALA 145  21.165  23.854   4.315
 1140    HB3  ALA 145           HB3      ALA 145  22.228  23.989   2.915
 1141    H    THR 146           HN       THR 146  20.585  21.811   0.510
 1142    HA   THR 146           HA       THR 146  17.949  23.031   0.574
 1143    HB   THR 146           HB       THR 146  19.912  24.075  -1.463
 1144    HG1  THR 146           HG1      THR 146  19.506  24.868   1.209
 1145   HG21  THR 146          HG21      THR 146  17.300  25.139  -0.378
 1146   HG22  THR 146          HG22      THR 146  17.535  24.378  -1.951
 1147   HG23  THR 146          HG23      THR 146  18.299  25.927  -1.599
 1148    H    GLY 147           HN       GLY 147  18.924  20.361   0.137
 1149    HA2  GLY 147           HA2      GLY 147  17.926  18.682  -1.128
 1150    HA3  GLY 147           HA1      GLY 147  17.402  19.895  -2.282
 1151    H    ALA 148           HN       ALA 148  20.759  19.920  -1.457
 1152    HA   ALA 148           HA       ALA 148  21.493  19.084  -4.101
 1153    HB1  ALA 148           HB1      ALA 148  23.806  19.338  -3.329
 1154    HB2  ALA 148           HB2      ALA 148  23.219  19.609  -1.687
 1155    HB3  ALA 148           HB3      ALA 148  22.827  20.758  -2.968
 1156    H    THR 149           HN       THR 149  20.861  16.993  -4.416
 1157    HA   THR 149           HA       THR 149  22.078  14.978  -2.655
 1158    HB   THR 149           HB       THR 149  20.100  13.523  -3.333
 1159    HG1  THR 149           HG1      THR 149  18.200  15.021  -3.755
 1160   HG21  THR 149          HG21      THR 149  19.617  15.972  -1.636
 1161   HG22  THR 149          HG22      THR 149  20.295  14.436  -1.095
 1162   HG23  THR 149          HG23      THR 149  18.615  14.521  -1.627
 1163    H    LYS 150           HN       LYS 150  22.308  12.843  -3.719
 1164    HA   LYS 150           HA       LYS 150  23.000  13.115  -6.567
 1165    HB2  LYS 150           HB2      LYS 150  24.944  11.642  -6.107
 1166    HB3  LYS 150           HB1      LYS 150  25.035  13.176  -5.250
 1167    HG2  LYS 150           HG2      LYS 150  24.108  12.007  -3.241
 1168    HG3  LYS 150           HG1      LYS 150  24.298  10.490  -4.121
 1169    HD2  LYS 150           HD2      LYS 150  26.695  10.913  -4.334
 1170    HD3  LYS 150           HD1      LYS 150  26.505  12.440  -3.465
 1171    HE2  LYS 150           HE2      LYS 150  25.636  11.167  -1.525
 1172    HE3  LYS 150           HE1      LYS 150  25.973   9.671  -2.395
 1173    HZ1  LYS 150           HZ1      LYS 150  27.931  11.691  -1.459
 1174    HZ2  LYS 150           HZ2      LYS 150  28.325  10.435  -2.526
 1175    HZ3  LYS 150           HZ3      LYS 150  27.786  10.075  -0.959
 1176    H    SER 151           HN       SER 151  22.732  11.248  -7.831
 1177    HA   SER 151           HA       SER 151  20.576   9.573  -6.991
 1178    HB2  SER 151           HB2      SER 151  22.305   9.427  -9.471
 1179    HB3  SER 151           HB1      SER 151  20.769   8.590  -9.232
 1180    HG   SER 151           HG       SER 151  20.576  11.265  -8.736
 1181    H    ALA 152           HN       ALA 152  20.917   8.028  -5.560
 1182    HA   ALA 152           HA       ALA 152  23.384   6.415  -5.713
 1183    HB1  ALA 152           HB1      ALA 152  22.859   5.802  -3.375
 1184    HB2  ALA 152           HB2      ALA 152  21.460   6.874  -3.434
 1185    HB3  ALA 152           HB3      ALA 152  23.089   7.537  -3.590
 1186    H    THR 153           HN       THR 153  23.143   4.109  -5.166
 1187    HA   THR 153           HA       THR 153  20.504   3.045  -5.947
 1188    HB   THR 153           HB       THR 153  23.172   1.677  -6.357
 1189    HG1  THR 153           HG1      THR 153  21.961   3.664  -7.771
 1190   HG21  THR 153          HG21      THR 153  21.241   0.170  -6.207
 1191   HG22  THR 153          HG22      THR 153  21.893   0.210  -7.845
 1192   HG23  THR 153          HG23      THR 153  20.418   1.097  -7.461
 1193    H    VAL 154           HN       VAL 154  19.547   1.647  -4.540
 1194    HA   VAL 154           HA       VAL 154  21.070   0.968  -2.145
 1195    HB   VAL 154           HB       VAL 154  18.807   0.220  -1.241
 1196   HG11  VAL 154          HG11      VAL 154  19.860   2.283  -0.544
 1197   HG12  VAL 154          HG12      VAL 154  18.129   2.546  -0.753
 1198   HG13  VAL 154          HG13      VAL 154  19.262   3.107  -1.983
 1199   HG21  VAL 154          HG21      VAL 154  17.638   0.029  -3.369
 1200   HG22  VAL 154          HG22      VAL 154  17.860   1.754  -3.663
 1201   HG23  VAL 154          HG23      VAL 154  16.844   1.211  -2.328
 1202    H    GLU 155           HN       GLU 155  20.267  -1.220  -1.141
 1203    HA   GLU 155           HA       GLU 155  21.401  -3.244  -2.653
 1204    HB2  GLU 155           HB2      GLU 155  20.416  -4.779  -0.938
 1205    HB3  GLU 155           HB1      GLU 155  21.327  -3.425  -0.282
 1206    HG2  GLU 155           HG2      GLU 155  19.234  -2.238   0.151
 1207    HG3  GLU 155           HG1      GLU 155  18.331  -3.617  -0.476
 1208    H    THR 156           HN       THR 156  18.077  -2.174  -2.585
 1209    HA   THR 156           HA       THR 156  16.974  -4.527  -3.765
 1210    HB   THR 156           HB       THR 156  14.978  -3.092  -4.202
 1211    HG1  THR 156           HG1      THR 156  15.029  -0.952  -3.428
 1212   HG21  THR 156          HG21      THR 156  14.424  -2.714  -1.843
 1213   HG22  THR 156          HG22      THR 156  16.121  -2.926  -1.414
 1214   HG23  THR 156          HG23      THR 156  15.205  -4.277  -2.081
 1215    H    GLY 157           HN       GLY 157  18.914  -2.095  -5.004
 1216    HA2  GLY 157           HA2      GLY 157  19.666  -1.906  -7.215
 1217    HA3  GLY 157           HA1      GLY 157  18.271  -2.835  -7.748
 1218    H    TYR 158           HN       TYR 158  17.192  -0.598  -5.608
 1219    HA   TYR 158           HA       TYR 158  15.978   0.949  -7.708
 1220    HB2  TYR 158           HB2      TYR 158  14.732   0.190  -5.683
 1221    HB3  TYR 158           HB1      TYR 158  15.727   1.273  -4.718
 1222    HD1  TYR 158           HD1      TYR 158  13.366   1.267  -7.594
 1223    HD2  TYR 158           HD2      TYR 158  15.044   3.472  -4.365
 1224    HE1  TYR 158           HE1      TYR 158  11.783   3.096  -8.027
 1225    HE2  TYR 158           HE2      TYR 158  13.463   5.304  -4.790
 1226    HH   TYR 158           HH       TYR 158  12.093   6.180  -6.559
 1227    H    THR 159           HN       THR 159  16.250   3.096  -8.124
 1228    HA   THR 159           HA       THR 159  18.698   4.307  -7.072
 1229    HB   THR 159           HB       THR 159  17.063   5.175  -9.459
 1230    HG1  THR 159           HG1      THR 159  17.911   3.078  -9.789
 1231   HG21  THR 159          HG21      THR 159  19.900   5.808  -8.632
 1232   HG22  THR 159          HG22      THR 159  18.526   6.911  -8.535
 1233   HG23  THR 159          HG23      THR 159  19.107   6.361 -10.108
 1234    H    LEU 160           HN       LEU 160  18.587   5.989  -5.702
 1235    HA   LEU 160           HA       LEU 160  16.314   7.779  -5.774
 1236    HB2  LEU 160           HB2      LEU 160  15.611   7.522  -3.538
 1237    HB3  LEU 160           HB1      LEU 160  15.682   5.917  -4.217
 1238    HG   LEU 160           HG       LEU 160  16.470   5.621  -2.070
 1239   HD11  LEU 160          HD11      LEU 160  18.021   4.618  -3.654
 1240   HD12  LEU 160          HD12      LEU 160  18.821   5.107  -2.160
 1241   HD13  LEU 160          HD13      LEU 160  19.007   6.083  -3.615
 1242   HD21  LEU 160          HD21      LEU 160  16.590   7.932  -1.406
 1243   HD22  LEU 160          HD22      LEU 160  18.077   8.148  -2.328
 1244   HD23  LEU 160          HD23      LEU 160  18.058   7.081  -0.923
 1245    H    ASN 161           HN       ASN 161  16.687   9.746  -4.536
 1246    HA   ASN 161           HA       ASN 161  19.478  10.465  -4.807
 1247    HB2  ASN 161           HB2      ASN 161  18.751  12.766  -4.657
 1248    HB3  ASN 161           HB1      ASN 161  17.710  11.903  -5.776
 1249   HD21  ASN 161          HD21      ASN 161  15.566  11.481  -5.182
 1250   HD22  ASN 161          HD22      ASN 161  14.792  12.350  -3.903
 1251    H    VAL 162           HN       VAL 162  20.871  10.559  -3.230
 1252    HA   VAL 162           HA       VAL 162  19.912  10.827  -0.454
 1253    HB   VAL 162           HB       VAL 162  21.986   9.661   0.235
 1254   HG11  VAL 162          HG11      VAL 162  21.345   7.418  -0.505
 1255   HG12  VAL 162          HG12      VAL 162  20.311   8.126  -1.746
 1256   HG13  VAL 162          HG13      VAL 162  19.942   8.378  -0.040
 1257   HG21  VAL 162          HG21      VAL 162  22.402   9.304  -2.727
 1258   HG22  VAL 162          HG22      VAL 162  23.316   8.472  -1.471
 1259   HG23  VAL 162          HG23      VAL 162  23.419  10.227  -1.623
 1260    HA   PRO 163           HA       PRO 163  22.303  14.564   0.039
 1261    HB2  PRO 163           HB2      PRO 163  23.359  13.326   2.530
 1262    HB3  PRO 163           HB1      PRO 163  22.555  14.883   2.305
 1263    HG2  PRO 163           HG2      PRO 163  21.267  12.848   3.435
 1264    HG3  PRO 163           HG1      PRO 163  20.434  13.936   2.308
 1265    HD2  PRO 163           HD2      PRO 163  21.480  11.173   1.855
 1266    HD3  PRO 163           HD1      PRO 163  19.989  11.926   1.255
 1267    H    LEU 164           HN       LEU 164  24.450  15.320  -0.084
 1268    HA   LEU 164           HA       LEU 164  25.978  13.668  -1.770
 1269    HB2  LEU 164           HB2      LEU 164  26.767  16.255  -0.440
 1270    HB3  LEU 164           HB1      LEU 164  27.595  15.510  -1.794
 1271    HG   LEU 164           HG       LEU 164  24.788  16.621  -1.808
 1272   HD11  LEU 164          HD11      LEU 164  25.690  18.296  -3.302
 1273   HD12  LEU 164          HD12      LEU 164  27.289  17.559  -3.199
 1274   HD13  LEU 164          HD13      LEU 164  26.569  18.304  -1.772
 1275   HD21  LEU 164          HD21      LEU 164  26.378  15.295  -4.000
 1276   HD22  LEU 164          HD22      LEU 164  24.868  16.173  -4.235
 1277   HD23  LEU 164          HD23      LEU 164  24.888  14.702  -3.265
 1278    H    PHE 165           HN       PHE 165  26.030  13.877   1.644
 1279    HA   PHE 165           HA       PHE 165  28.836  13.160   1.854
 1280    HB2  PHE 165           HB2      PHE 165  28.509  13.293   4.279
 1281    HB3  PHE 165           HB1      PHE 165  27.910  14.740   3.479
 1282    HD1  PHE 165           HD1      PHE 165  26.911  11.624   5.187
 1283    HD2  PHE 165           HD2      PHE 165  25.620  15.357   3.596
 1284    HE1  PHE 165           HE1      PHE 165  24.750  11.360   6.328
 1285    HE2  PHE 165           HE2      PHE 165  23.456  15.094   4.735
 1286    HZ   PHE 165           HZ       PHE 165  23.019  13.094   6.101
 1287    H    VAL 166           HN       VAL 166  26.010  11.459   1.338
 1288    HA   VAL 166           HA       VAL 166  26.398   9.243   3.082
 1289    HB   VAL 166           HB       VAL 166  24.834   9.387   0.496
 1290   HG11  VAL 166          HG11      VAL 166  25.336   7.080   1.090
 1291   HG12  VAL 166          HG12      VAL 166  23.628   7.429   1.361
 1292   HG13  VAL 166          HG13      VAL 166  24.743   7.357   2.727
 1293   HG21  VAL 166          HG21      VAL 166  24.007   9.766   3.369
 1294   HG22  VAL 166          HG22      VAL 166  22.892   9.634   2.012
 1295   HG23  VAL 166          HG23      VAL 166  24.017  10.988   2.098
 1296    H    ASN 167           HN       ASN 167  27.476   7.345   2.807
 1297    HA   ASN 167           HA       ASN 167  29.032   7.033   0.332
 1298    HB2  ASN 167           HB2      ASN 167  30.901   6.184   1.635
 1299    HB3  ASN 167           HB1      ASN 167  30.442   7.766   2.247
 1300   HD21  ASN 167          HD21      ASN 167  31.851   5.464   3.469
 1301   HD22  ASN 167          HD22      ASN 167  30.983   5.126   4.927
 1302    H    GLU 168           HN       GLU 168  29.731   4.773  -0.076
 1303    HA   GLU 168           HA       GLU 168  27.510   3.066  -0.148
 1304    HB2  GLU 168           HB2      GLU 168  30.436   2.388  -0.482
 1305    HB3  GLU 168           HB1      GLU 168  29.101   1.337  -0.923
 1306    HG2  GLU 168           HG2      GLU 168  28.349   2.984  -2.562
 1307    HG3  GLU 168           HG1      GLU 168  29.703   4.028  -2.125
 1308    H    GLY 169           HN       GLY 169  26.702   1.662   1.252
 1309    HA2  GLY 169           HA2      GLY 169  27.062  -0.154   2.809
 1310    HA3  GLY 169           HA1      GLY 169  28.440   0.732   3.441
 1311    H    ASP 170           HN       ASP 170  26.569   3.214   3.172
 1312    HA   ASP 170           HA       ASP 170  25.771   3.248   5.886
 1313    HB2  ASP 170           HB2      ASP 170  26.317   5.286   4.527
 1314    HB3  ASP 170           HB1      ASP 170  24.779   5.077   3.691
 1315    H    VAL 171           HN       VAL 171  23.725   3.136   6.817
 1316    HA   VAL 171           HA       VAL 171  21.810   1.566   5.267
 1317    HB   VAL 171           HB       VAL 171  21.830   2.151   8.237
 1318   HG11  VAL 171          HG11      VAL 171  20.228   0.306   8.380
 1319   HG12  VAL 171          HG12      VAL 171  20.242   0.157   6.624
 1320   HG13  VAL 171          HG13      VAL 171  19.609   1.620   7.379
 1321   HG21  VAL 171          HG21      VAL 171  22.755  -0.298   6.733
 1322   HG22  VAL 171          HG22      VAL 171  22.654  -0.146   8.487
 1323   HG23  VAL 171          HG23      VAL 171  23.787   0.855   7.580
 1324    H    LEU 172           HN       LEU 172  20.365   2.684   4.197
 1325    HA   LEU 172           HA       LEU 172  19.511   5.316   5.113
 1326    HB2  LEU 172           HB2      LEU 172  18.670   3.836   2.623
 1327    HB3  LEU 172           HB1      LEU 172  18.485   5.545   2.951
 1328    HG   LEU 172           HG       LEU 172  21.112   4.123   2.509
 1329   HD11  LEU 172          HD11      LEU 172  21.136   5.409   0.403
 1330   HD12  LEU 172          HD12      LEU 172  19.491   5.944   0.741
 1331   HD13  LEU 172          HD13      LEU 172  19.826   4.233   0.476
 1332   HD21  LEU 172          HD21      LEU 172  21.337   6.040   4.006
 1333   HD22  LEU 172          HD22      LEU 172  20.497   7.058   2.837
 1334   HD23  LEU 172          HD23      LEU 172  22.069   6.368   2.436
 1335    H    ILE 173           HN       ILE 173  17.809   5.449   6.434
 1336    HA   ILE 173           HA       ILE 173  15.747   3.384   6.339
 1337    HB   ILE 173           HB       ILE 173  16.226   5.673   8.245
 1338   HG12  ILE 173          HG12      ILE 173  16.248   3.824   9.918
 1339   HG13  ILE 173          HG11      ILE 173  16.044   2.667   8.610
 1340   HG21  ILE 173          HG21      ILE 173  13.826   5.576   7.802
 1341   HG22  ILE 173          HG22      ILE 173  14.190   5.016   9.435
 1342   HG23  ILE 173          HG23      ILE 173  13.820   3.849   8.165
 1343   HD11  ILE 173          HD11      ILE 173  18.342   2.746   9.322
 1344   HD12  ILE 173          HD12      ILE 173  18.400   4.486   9.040
 1345   HD13  ILE 173          HD13      ILE 173  18.200   3.379   7.682
 1346    H    ILE 174           HN       ILE 174  14.335   3.636   4.751
 1347    HA   ILE 174           HA       ILE 174  13.555   6.373   4.030
 1348    HB   ILE 174           HB       ILE 174  13.294   3.868   2.355
 1349   HG12  ILE 174          HG12      ILE 174  15.281   6.141   2.127
 1350   HG13  ILE 174          HG11      ILE 174  15.652   4.538   2.751
 1351   HG21  ILE 174          HG21      ILE 174  12.789   5.404   0.525
 1352   HG22  ILE 174          HG22      ILE 174  12.907   6.773   1.632
 1353   HG23  ILE 174          HG23      ILE 174  11.624   5.579   1.839
 1354   HD11  ILE 174          HD11      ILE 174  15.108   3.579   0.565
 1355   HD12  ILE 174          HD12      ILE 174  16.403   4.772   0.466
 1356   HD13  ILE 174          HD13      ILE 174  14.771   5.196  -0.051
 1357    H    ASN 175           HN       ASN 175  11.560   7.018   4.377
 1358    HA   ASN 175           HA       ASN 175   9.592   5.186   5.439
 1359    HB2  ASN 175           HB2      ASN 175   9.884   7.568   6.251
 1360    HB3  ASN 175           HB1      ASN 175   9.183   8.090   4.723
 1361   HD21  ASN 175          HD21      ASN 175   6.992   7.705   4.325
 1362   HD22  ASN 175          HD22      ASN 175   5.893   7.282   5.586
 1363    H    THR 176           HN       THR 176   8.907   3.812   3.879
 1364    HA   THR 176           HA       THR 176   8.650   4.447   1.153
 1365    HB   THR 176           HB       THR 176   7.102   2.260   2.531
 1366    HG1  THR 176           HG1      THR 176   8.946   1.370   3.027
 1367   HG21  THR 176          HG21      THR 176   6.587   2.543   0.187
 1368   HG22  THR 176          HG22      THR 176   7.552   1.081   0.393
 1369   HG23  THR 176          HG23      THR 176   8.302   2.552  -0.223
 1370    H    GLY 177           HN       GLY 177   7.006   5.176  -0.071
 1371    HA2  GLY 177           HA2      GLY 177   4.671   5.557  -0.507
 1372    HA3  GLY 177           HA1      GLY 177   4.407   5.650   1.229
 1373    H    ASP 178           HN       ASP 178   6.691   7.304   1.746
 1374    HA   ASP 178           HA       ASP 178   5.705   9.843   0.641
 1375    HB2  ASP 178           HB2      ASP 178   7.083   9.210   3.247
 1376    HB3  ASP 178           HB1      ASP 178   6.956  10.850   2.623
 1377    H    GLY 179           HN       GLY 179   8.455   7.784   1.011
 1378    HA2  GLY 179           HA2      GLY 179  10.356   7.741  -0.310
 1379    HA3  GLY 179           HA1      GLY 179   9.850   9.257  -1.043
 1380    H    SER 180           HN       SER 180   9.817   9.248   2.340
 1381    HA   SER 180           HA       SER 180  11.795  11.259   2.532
 1382    HB2  SER 180           HB2      SER 180  10.701   9.588   4.799
 1383    HB3  SER 180           HB1      SER 180  11.320  11.237   4.872
 1384    HG   SER 180           HG       SER 180   9.540  11.830   3.489
 1385    H    TYR 181           HN       TYR 181  13.931  10.882   2.329
 1386    HA   TYR 181           HA       TYR 181  14.944   8.236   3.013
 1387    HB2  TYR 181           HB2      TYR 181  17.016   9.003   1.789
 1388    HB3  TYR 181           HB1      TYR 181  15.560   8.910   0.806
 1389    HD1  TYR 181           HD1      TYR 181  18.141  11.081   2.145
 1390    HD2  TYR 181           HD2      TYR 181  14.416  10.998   0.094
 1391    HE1  TYR 181           HE1      TYR 181  18.481  13.411   1.443
 1392    HE2  TYR 181           HE2      TYR 181  14.749  13.329  -0.613
 1393    HH   TYR 181           HH       TYR 181  15.975  15.280   0.030
 1394    H    ILE 182           HN       ILE 182  15.594   7.995   5.038
 1395    HA   ILE 182           HA       ILE 182  17.065  10.212   6.306
 1396    HB   ILE 182           HB       ILE 182  15.765   7.815   7.634
 1397   HG12  ILE 182          HG12      ILE 182  14.408   9.774   8.714
 1398   HG13  ILE 182          HG11      ILE 182  14.916  10.683   7.299
 1399   HG21  ILE 182          HG21      ILE 182  17.194  10.192   8.817
 1400   HG22  ILE 182          HG22      ILE 182  17.735   8.512   8.842
 1401   HG23  ILE 182          HG23      ILE 182  16.291   8.989   9.739
 1402   HD11  ILE 182          HD11      ILE 182  12.700   9.759   6.991
 1403   HD12  ILE 182          HD12      ILE 182  13.317   8.133   7.283
 1404   HD13  ILE 182          HD13      ILE 182  13.837   9.029   5.856
 1405    H    SER 183           HN       SER 183  19.146   9.958   5.792
 1406    HA   SER 183           HA       SER 183  20.392   7.367   5.577
 1407    HB2  SER 183           HB2      SER 183  21.039   9.198   4.076
 1408    HB3  SER 183           HB1      SER 183  21.532  10.176   5.455
 1409    HG   SER 183           HG       SER 183  22.705   7.639   5.087
 1410    H    ARG 184           HN       ARG 184  22.427   6.891   6.787
 1411    HA   ARG 184           HA       ARG 184  23.794   6.792   8.576
 1412    HB2  ARG 184           HB2      ARG 184  22.479   9.380   9.394
 1413    HB3  ARG 184           HB1      ARG 184  23.836   8.651  10.238
 1414    HG2  ARG 184           HG2      ARG 184  23.809   9.668   7.404
 1415    HG3  ARG 184           HG1      ARG 184  24.636  10.387   8.788
 1416    HD2  ARG 184           HD2      ARG 184  25.936   8.238   8.978
 1417    HD3  ARG 184           HD1      ARG 184  25.239   7.768   7.430
 1418    HE   ARG 184           HE       ARG 184  26.704  10.295   7.590
 1419   HH11  ARG 184          HH11      ARG 184  26.505   6.994   6.439
 1420   HH12  ARG 184          HH12      ARG 184  27.880   7.147   5.378
 1421   HH21  ARG 184          HH21      ARG 184  28.490  10.511   6.178
 1422   HH22  ARG 184          HH22      ARG 184  28.997   9.155   5.223
 1423    H    GLY 185           HN       GLY 185  21.102   5.547   8.593
 1424    HA2  GLY 185           HA2      GLY 185  20.315   3.963  10.105
 1425    HA3  GLY 185           HA1      GLY 185  21.349   4.664  11.336
  Start of MODEL    5
    1    H1   MET   1           HT1      MET   1 -26.484  -6.728   5.909
    2    H2   MET   1           HT2      MET   1 -24.810  -6.560   6.006
    3    H3   MET   1           HT3      MET   1 -25.477  -7.824   5.108
    4    HA   MET   1           HA       MET   1 -24.690  -6.104   3.638
    5    HB2  MET   1           HB2      MET   1 -27.714  -6.079   3.805
    6    HB3  MET   1           HB1      MET   1 -26.742  -5.721   2.384
    7    HG2  MET   1           HG2      MET   1 -25.995  -7.983   2.243
    8    HG3  MET   1           HG1      MET   1 -26.753  -8.380   3.782
    9    HE1  MET   1           HE1      MET   1 -29.068 -10.459   1.589
   10    HE2  MET   1           HE2      MET   1 -28.039 -10.372   3.018
   11    HE3  MET   1           HE3      MET   1 -27.322 -10.291   1.410
   12    H    ILE   2           HN       ILE   2 -24.553  -3.915   3.089
   13    HA   ILE   2           HA       ILE   2 -24.979  -2.175   5.354
   14    HB   ILE   2           HB       ILE   2 -23.714  -1.605   2.678
   15   HG12  ILE   2          HG12      ILE   2 -21.663  -1.312   4.214
   16   HG13  ILE   2          HG11      ILE   2 -22.608  -2.178   5.418
   17   HG21  ILE   2          HG21      ILE   2 -24.746   0.412   3.565
   18   HG22  ILE   2          HG22      ILE   2 -22.987   0.524   3.621
   19   HG23  ILE   2          HG23      ILE   2 -23.896   0.183   5.093
   20   HD11  ILE   2          HD11      ILE   2 -21.814  -3.216   2.710
   21   HD12  ILE   2          HD12      ILE   2 -22.772  -4.086   3.908
   22   HD13  ILE   2          HD13      ILE   2 -21.096  -3.664   4.257
   23    H    SER   3           HN       SER   3 -26.782  -1.180   5.673
   24    HA   SER   3           HA       SER   3 -28.438  -0.274   3.441
   25    HB2  SER   3           HB2      SER   3 -28.964  -0.168   6.429
   26    HB3  SER   3           HB1      SER   3 -30.127   0.176   5.150
   27    HG   SER   3           HG       SER   3 -29.862  -2.016   4.460
   28    H    VAL   4           HN       VAL   4 -29.127   2.018   3.442
   29    HA   VAL   4           HA       VAL   4 -26.733   3.519   3.408
   30    HB   VAL   4           HB       VAL   4 -27.978   5.320   2.455
   31   HG11  VAL   4          HG11      VAL   4 -29.078   4.181   0.588
   32   HG12  VAL   4          HG12      VAL   4 -29.051   2.672   1.501
   33   HG13  VAL   4          HG13      VAL   4 -27.537   3.428   1.004
   34   HG21  VAL   4          HG21      VAL   4 -29.872   5.292   4.029
   35   HG22  VAL   4          HG22      VAL   4 -30.491   3.845   3.235
   36   HG23  VAL   4          HG23      VAL   4 -30.401   5.367   2.350
   37    H    ASN   5           HN       ASN   5 -29.030   3.088   5.864
   38    HA   ASN   5           HA       ASN   5 -28.541   5.646   7.129
   39    HB2  ASN   5           HB2      ASN   5 -30.222   3.255   7.805
   40    HB3  ASN   5           HB1      ASN   5 -29.865   4.457   9.040
   41   HD21  ASN   5          HD21      ASN   5 -32.051   4.981   9.184
   42   HD22  ASN   5          HD22      ASN   5 -32.838   5.939   7.977
   43    H    ASP   6           HN       ASP   6 -26.691   2.962   6.830
   44    HA   ASP   6           HA       ASP   6 -25.435   3.467   9.438
   45    HB2  ASP   6           HB2      ASP   6 -26.787   1.380   9.551
   46    HB3  ASP   6           HB1      ASP   6 -25.795   0.708   8.262
   47    H    PHE   7           HN       PHE   7 -23.861   4.706   8.437
   48    HA   PHE   7           HA       PHE   7 -21.797   3.083   7.118
   49    HB2  PHE   7           HB2      PHE   7 -22.682   5.888   6.489
   50    HB3  PHE   7           HB1      PHE   7 -21.030   5.387   6.153
   51    HD1  PHE   7           HD1      PHE   7 -24.450   5.299   5.060
   52    HD2  PHE   7           HD2      PHE   7 -20.638   3.473   4.580
   53    HE1  PHE   7           HE1      PHE   7 -25.178   4.333   2.924
   54    HE2  PHE   7           HE2      PHE   7 -21.365   2.504   2.441
   55    HZ   PHE   7           HZ       PHE   7 -23.643   2.932   1.612
   56    H    LYS   8           HN       LYS   8 -19.600   3.778   7.590
   57    HA   LYS   8           HA       LYS   8 -19.386   5.153  10.184
   58    HB2  LYS   8           HB2      LYS   8 -19.208   2.620  10.301
   59    HB3  LYS   8           HB1      LYS   8 -17.748   2.756   9.334
   60    HG2  LYS   8           HG2      LYS   8 -17.080   2.534  11.589
   61    HG3  LYS   8           HG1      LYS   8 -16.802   4.216  11.134
   62    HD2  LYS   8           HD2      LYS   8 -18.910   4.846  12.213
   63    HD3  LYS   8           HD1      LYS   8 -19.172   3.166  12.674
   64    HE2  LYS   8           HE2      LYS   8 -18.279   4.382  14.553
   65    HE3  LYS   8           HE1      LYS   8 -17.081   3.227  13.976
   66    HZ1  LYS   8           HZ1      LYS   8 -17.101   6.122  13.312
   67    HZ2  LYS   8           HZ2      LYS   8 -15.918   5.002  12.861
   68    HZ3  LYS   8           HZ3      LYS   8 -16.125   5.406  14.490
   69    H    THR   9           HN       THR   9 -17.221   6.052  10.588
   70    HA   THR   9           HA       THR   9 -16.122   7.581   8.576
   71    HB   THR   9           HB       THR   9 -14.014   7.499  10.122
   72    HG1  THR   9           HG1      THR   9 -14.185   6.126  11.714
   73   HG21  THR   9          HG21      THR   9 -16.691   8.522  11.067
   74   HG22  THR   9          HG22      THR   9 -15.543   9.381  10.043
   75   HG23  THR   9          HG23      THR   9 -15.130   9.020  11.718
   76    H    GLY  10           HN       GLY  10 -15.571   4.250   9.289
   77    HA2  GLY  10           HA2      GLY  10 -14.186   4.086   6.733
   78    HA3  GLY  10           HA1      GLY  10 -13.444   3.293   8.120
   79    H    LEU  11           HN       LEU  11 -15.465   2.871   5.559
   80    HA   LEU  11           HA       LEU  11 -16.421   0.324   6.632
   81    HB2  LEU  11           HB2      LEU  11 -18.106   2.470   6.465
   82    HB3  LEU  11           HB1      LEU  11 -18.327   1.745   4.888
   83    HG   LEU  11           HG       LEU  11 -20.032   0.958   6.422
   84   HD11  LEU  11          HD11      LEU  11 -19.731  -1.453   6.192
   85   HD12  LEU  11          HD12      LEU  11 -18.029  -1.205   5.804
   86   HD13  LEU  11          HD13      LEU  11 -19.278  -0.603   4.716
   87   HD21  LEU  11          HD21      LEU  11 -17.748  -0.075   8.091
   88   HD22  LEU  11          HD22      LEU  11 -19.459  -0.386   8.377
   89   HD23  LEU  11          HD23      LEU  11 -18.828   1.253   8.507
   90    H    THR  12           HN       THR  12 -16.089  -1.295   5.184
   91    HA   THR  12           HA       THR  12 -15.240  -0.472   2.504
   92    HB   THR  12           HB       THR  12 -14.777  -3.228   3.557
   93    HG1  THR  12           HG1      THR  12 -13.856  -2.191   5.219
   94   HG21  THR  12          HG21      THR  12 -14.215  -2.668   1.229
   95   HG22  THR  12          HG22      THR  12 -12.772  -3.036   2.169
   96   HG23  THR  12          HG23      THR  12 -13.178  -1.362   1.800
   97    H    ILE  13           HN       ILE  13 -16.572  -0.763   0.886
   98    HA   ILE  13           HA       ILE  13 -18.693  -2.794   1.125
   99    HB   ILE  13           HB       ILE  13 -18.820  -0.054  -0.149
  100   HG12  ILE  13          HG12      ILE  13 -20.963  -0.046   1.357
  101   HG13  ILE  13          HG11      ILE  13 -20.137  -1.339   2.219
  102   HG21  ILE  13          HG21      ILE  13 -20.878  -2.245  -0.318
  103   HG22  ILE  13          HG22      ILE  13 -19.888  -1.640  -1.645
  104   HG23  ILE  13          HG23      ILE  13 -21.084  -0.589  -0.887
  105   HD11  ILE  13          HD11      ILE  13 -19.777   0.833   3.257
  106   HD12  ILE  13          HD12      ILE  13 -19.054   1.427   1.763
  107   HD13  ILE  13          HD13      ILE  13 -18.267   0.136   2.671
  108    H    SER  14           HN       SER  14 -19.036  -4.136  -0.604
  109    HA   SER  14           HA       SER  14 -17.208  -3.824  -2.880
  110    HB2  SER  14           HB2      SER  14 -17.147  -5.997  -1.641
  111    HB3  SER  14           HB1      SER  14 -18.831  -6.258  -2.084
  112    HG   SER  14           HG       SER  14 -18.210  -6.874  -3.992
  113    H    VAL  15           HN       VAL  15 -18.154  -2.567  -4.346
  114    HA   VAL  15           HA       VAL  15 -20.787  -3.316  -5.346
  115    HB   VAL  15           HB       VAL  15 -21.254  -1.539  -3.728
  116   HG11  VAL  15          HG11      VAL  15 -20.404   0.751  -4.109
  117   HG12  VAL  15          HG12      VAL  15 -19.309   0.103  -5.332
  118   HG13  VAL  15          HG13      VAL  15 -19.149  -0.400  -3.650
  119   HG21  VAL  15          HG21      VAL  15 -22.632  -1.644  -5.729
  120   HG22  VAL  15          HG22      VAL  15 -21.514  -0.575  -6.570
  121   HG23  VAL  15          HG23      VAL  15 -22.434   0.022  -5.190
  122    H    ASP  16           HN       ASP  16 -21.117  -2.766  -7.523
  123    HA   ASP  16           HA       ASP  16 -20.495  -2.568  -9.695
  124    HB2  ASP  16           HB2      ASP  16 -18.589  -0.538  -8.518
  125    HB3  ASP  16           HB1      ASP  16 -18.734  -0.831 -10.247
  126    H    ASN  17           HN       ASN  17 -19.276  -4.541  -7.943
  127    HA   ASN  17           HA       ASN  17 -17.761  -6.217  -8.018
  128    HB2  ASN  17           HB2      ASN  17 -17.309  -5.116 -10.782
  129    HB3  ASN  17           HB1      ASN  17 -16.494  -6.554 -10.181
  130   HD21  ASN  17          HD21      ASN  17 -17.672  -8.435  -9.855
  131   HD22  ASN  17          HD22      ASN  17 -19.258  -8.653 -10.507
  132    H    ALA  18           HN       ALA  18 -17.030  -3.487  -7.067
  133    HA   ALA  18           HA       ALA  18 -14.140  -3.985  -6.993
  134    HB1  ALA  18           HB1      ALA  18 -13.736  -1.551  -6.996
  135    HB2  ALA  18           HB2      ALA  18 -15.455  -1.290  -7.310
  136    HB3  ALA  18           HB3      ALA  18 -14.458  -2.120  -8.503
  137    H    ILE  19           HN       ILE  19 -13.123  -2.898  -5.106
  138    HA   ILE  19           HA       ILE  19 -14.953  -3.032  -2.811
  139    HB   ILE  19           HB       ILE  19 -12.875  -3.525  -1.471
  140   HG12  ILE  19          HG12      ILE  19 -11.734  -3.920  -4.249
  141   HG13  ILE  19          HG11      ILE  19 -11.204  -2.735  -3.059
  142   HG21  ILE  19          HG21      ILE  19 -14.494  -5.246  -2.061
  143   HG22  ILE  19          HG22      ILE  19 -12.854  -5.896  -2.091
  144   HG23  ILE  19          HG23      ILE  19 -13.675  -5.503  -3.601
  145   HD11  ILE  19          HD11      ILE  19 -10.470  -4.543  -1.598
  146   HD12  ILE  19          HD12      ILE  19  -9.676  -4.602  -3.172
  147   HD13  ILE  19          HD13      ILE  19 -10.989  -5.719  -2.804
  148    H    TRP  20           HN       TRP  20 -15.188  -1.315  -1.571
  149    HA   TRP  20           HA       TRP  20 -13.492   1.021  -2.148
  150    HB2  TRP  20           HB2      TRP  20 -16.480   0.980  -1.698
  151    HB3  TRP  20           HB1      TRP  20 -15.513   2.392  -2.076
  152    HD1  TRP  20           HD1      TRP  20 -17.060  -0.684  -3.650
  153    HE1  TRP  20           HE1      TRP  20 -17.000  -0.462  -6.208
  154    HE3  TRP  20           HE3      TRP  20 -14.155   3.501  -4.007
  155    HZ2  TRP  20           HZ2      TRP  20 -15.851   1.266  -8.131
  156    HZ3  TRP  20           HZ3      TRP  20 -13.617   4.374  -6.245
  157    HH2  TRP  20           HH2      TRP  20 -14.449   3.278  -8.262
  158    H    LYS  21           HN       LYS  21 -13.150   2.475  -0.460
  159    HA   LYS  21           HA       LYS  21 -13.871   1.480   2.215
  160    HB2  LYS  21           HB2      LYS  21 -11.498   1.113   1.693
  161    HB3  LYS  21           HB1      LYS  21 -11.310   2.821   1.337
  162    HG2  LYS  21           HG2      LYS  21 -11.854   3.346   3.675
  163    HG3  LYS  21           HG1      LYS  21 -11.975   1.618   4.014
  164    HD2  LYS  21           HD2      LYS  21  -9.628   1.346   3.293
  165    HD3  LYS  21           HD1      LYS  21  -9.522   3.090   3.051
  166    HE2  LYS  21           HE2      LYS  21  -8.565   2.469   5.195
  167    HE3  LYS  21           HE1      LYS  21 -10.018   3.438   5.427
  168    HZ1  LYS  21           HZ1      LYS  21 -11.256   1.425   5.880
  169    HZ2  LYS  21           HZ2      LYS  21  -9.937   1.542   6.928
  170    HZ3  LYS  21           HZ3      LYS  21  -9.879   0.479   5.618
  171    H    VAL  22           HN       VAL  22 -15.465   2.812   2.821
  172    HA   VAL  22           HA       VAL  22 -15.705   5.534   2.145
  173    HB   VAL  22           HB       VAL  22 -16.910   4.010   4.465
  174   HG11  VAL  22          HG11      VAL  22 -16.877   6.387   4.979
  175   HG12  VAL  22          HG12      VAL  22 -18.522   5.873   4.602
  176   HG13  VAL  22          HG13      VAL  22 -17.576   6.759   3.403
  177   HG21  VAL  22          HG21      VAL  22 -17.570   3.201   2.254
  178   HG22  VAL  22          HG22      VAL  22 -18.050   4.834   1.794
  179   HG23  VAL  22          HG23      VAL  22 -18.919   3.986   3.074
  180    H    ILE  23           HN       ILE  23 -14.296   7.000   2.627
  181    HA   ILE  23           HA       ILE  23 -12.873   6.988   5.167
  182    HB   ILE  23           HB       ILE  23 -12.658   8.897   2.838
  183   HG12  ILE  23          HG12      ILE  23 -10.855   6.590   3.569
  184   HG13  ILE  23          HG11      ILE  23 -12.078   6.525   2.306
  185   HG21  ILE  23          HG21      ILE  23 -10.847   8.466   5.211
  186   HG22  ILE  23          HG22      ILE  23 -11.872   9.872   4.925
  187   HG23  ILE  23          HG23      ILE  23 -10.514   9.536   3.851
  188   HD11  ILE  23          HD11      ILE  23  -9.862   6.904   1.385
  189   HD12  ILE  23          HD12      ILE  23  -9.692   8.359   2.366
  190   HD13  ILE  23          HD13      ILE  23 -10.911   8.292   1.095
  191    H    ASP  24           HN       ASP  24 -15.324   8.737   3.404
  192    HA   ASP  24           HA       ASP  24 -16.162  10.066   5.865
  193    HB2  ASP  24           HB2      ASP  24 -15.703  11.527   3.254
  194    HB3  ASP  24           HB1      ASP  24 -16.563  12.200   4.625
  195    H    PHE  25           HN       PHE  25 -18.427  10.525   5.881
  196    HA   PHE  25           HA       PHE  25 -19.906   9.740   3.491
  197    HB2  PHE  25           HB2      PHE  25 -21.411   8.253   4.689
  198    HB3  PHE  25           HB1      PHE  25 -19.758   7.681   4.846
  199    HD1  PHE  25           HD1      PHE  25 -22.739   8.571   6.555
  200    HD2  PHE  25           HD2      PHE  25 -18.519   8.262   7.022
  201    HE1  PHE  25           HE1      PHE  25 -23.020   8.486   8.996
  202    HE2  PHE  25           HE2      PHE  25 -18.795   8.180   9.465
  203    HZ   PHE  25           HZ       PHE  25 -21.046   8.289  10.453
  204    H    GLN  26           HN       GLN  26 -21.608  11.010   3.100
  205    HA   GLN  26           HA       GLN  26 -22.580  12.739   5.279
  206    HB2  GLN  26           HB2      GLN  26 -21.259  14.003   3.649
  207    HB3  GLN  26           HB1      GLN  26 -22.264  13.391   2.343
  208    HG2  GLN  26           HG2      GLN  26 -24.202  14.546   3.333
  209    HG3  GLN  26           HG1      GLN  26 -23.143  15.207   4.578
  210   HE21  GLN  26          HE21      GLN  26 -23.546  17.313   3.985
  211   HE22  GLN  26          HE22      GLN  26 -22.927  18.008   2.526
  212    H    HIS  27           HN       HIS  27 -24.559  12.018   5.826
  213    HA   HIS  27           HA       HIS  27 -26.259  10.684   3.911
  214    HB2  HIS  27           HB2      HIS  27 -26.054  10.185   6.441
  215    HB3  HIS  27           HB1      HIS  27 -27.110  11.577   6.658
  216    HD1  HIS  27           HD1      HIS  27 -27.214   8.032   6.252
  217    HD2  HIS  27           HD2      HIS  27 -29.658  11.183   5.089
  218    HE1  HIS  27           HE1      HIS  27 -29.450   7.000   5.750
  219    HE2  HIS  27           HE2      HIS  27 -30.957   8.947   5.229
  220    H    VAL  28           HN       VAL  28 -27.131  11.968   2.396
  221    HA   VAL  28           HA       VAL  28 -28.017  14.655   3.200
  222    HB   VAL  28           HB       VAL  28 -26.223  14.761   1.591
  223   HG11  VAL  28          HG11      VAL  28 -27.932  12.975  -0.132
  224   HG12  VAL  28          HG12      VAL  28 -26.353  12.596   0.563
  225   HG13  VAL  28          HG13      VAL  28 -26.494  13.826  -0.695
  226   HG21  VAL  28          HG21      VAL  28 -28.871  15.398   0.296
  227   HG22  VAL  28          HG22      VAL  28 -27.305  16.034  -0.206
  228   HG23  VAL  28          HG23      VAL  28 -27.956  16.446   1.381
  229    H    LYS  29           HN       LYS  29 -30.075  15.279   2.879
  230    HA   LYS  29           HA       LYS  29 -31.833  13.418   1.427
  231    HB2  LYS  29           HB2      LYS  29 -32.176  13.286   3.867
  232    HB3  LYS  29           HB1      LYS  29 -32.521  15.011   3.901
  233    HG2  LYS  29           HG2      LYS  29 -34.440  14.588   2.373
  234    HG3  LYS  29           HG1      LYS  29 -34.131  12.862   2.544
  235    HD2  LYS  29           HD2      LYS  29 -34.763  14.744   4.818
  236    HD3  LYS  29           HD1      LYS  29 -35.930  13.685   4.030
  237    HE2  LYS  29           HE2      LYS  29 -35.338  12.453   5.891
  238    HE3  LYS  29           HE1      LYS  29 -34.262  11.798   4.660
  239    HZ1  LYS  29           HZ1      LYS  29 -33.067  12.198   6.694
  240    HZ2  LYS  29           HZ2      LYS  29 -33.554  13.817   6.720
  241    HZ3  LYS  29           HZ3      LYS  29 -32.510  13.270   5.514
  242    HA   PRO  30           HA       PRO  30 -32.460  17.383  -0.697
  243    HB2  PRO  30           HB2      PRO  30 -33.189  16.323  -3.065
  244    HB3  PRO  30           HB1      PRO  30 -31.497  16.440  -2.567
  245    HG2  PRO  30           HG2      PRO  30 -33.336  14.081  -2.485
  246    HG3  PRO  30           HG1      PRO  30 -31.633  14.156  -2.975
  247    HD2  PRO  30           HD2      PRO  30 -32.462  13.293  -0.519
  248    HD3  PRO  30           HD1      PRO  30 -30.881  14.045  -0.809
  249    H    GLY  31           HN       GLY  31 -34.509  14.773   0.086
  250    HA2  GLY  31           HA2      GLY  31 -36.702  14.874   0.798
  251    HA3  GLY  31           HA1      GLY  31 -36.751  16.558   0.306
  252    H    LYS  32           HN       LYS  32 -35.766  14.074  -1.929
  253    HA   LYS  32           HA       LYS  32 -37.995  14.819  -3.641
  254    HB2  LYS  32           HB2      LYS  32 -35.646  12.994  -4.172
  255    HB3  LYS  32           HB1      LYS  32 -36.839  13.486  -5.366
  256    HG2  LYS  32           HG2      LYS  32 -36.135  15.866  -4.896
  257    HG3  LYS  32           HG1      LYS  32 -34.785  15.186  -3.988
  258    HD2  LYS  32           HD2      LYS  32 -35.397  14.646  -6.892
  259    HD3  LYS  32           HD1      LYS  32 -34.155  15.742  -6.296
  260    HE2  LYS  32           HE2      LYS  32 -33.009  13.873  -5.226
  261    HE3  LYS  32           HE1      LYS  32 -34.265  12.770  -5.788
  262    HZ1  LYS  32           HZ1      LYS  32 -32.348  12.673  -7.226
  263    HZ2  LYS  32           HZ2      LYS  32 -32.424  14.340  -7.508
  264    HZ3  LYS  32           HZ3      LYS  32 -33.658  13.329  -8.069
  265    H    GLY  33           HN       GLY  33 -37.298  12.410  -1.397
  266    HA2  GLY  33           HA2      GLY  33 -39.483  11.079  -1.061
  267    HA3  GLY  33           HA1      GLY  33 -39.122  10.489  -2.678
  268    H    SER  34           HN       SER  34 -36.395  10.186  -2.537
  269    HA   SER  34           HA       SER  34 -35.998   8.343  -0.277
  270    HB2  SER  34           HB2      SER  34 -34.484   7.045  -1.830
  271    HB3  SER  34           HB1      SER  34 -36.194   6.988  -2.255
  272    HG   SER  34           HG       SER  34 -34.898   9.082  -3.425
  273    H    ALA  35           HN       ALA  35 -34.214   8.680   0.917
  274    HA   ALA  35           HA       ALA  35 -32.639  11.031   0.380
  275    HB1  ALA  35           HB1      ALA  35 -31.599  10.574   2.534
  276    HB2  ALA  35           HB2      ALA  35 -32.429   9.019   2.613
  277    HB3  ALA  35           HB3      ALA  35 -33.356  10.519   2.652
  278    H    PHE  36           HN       PHE  36 -30.271  10.978   0.523
  279    HA   PHE  36           HA       PHE  36 -29.160   8.547  -0.679
  280    HB2  PHE  36           HB2      PHE  36 -28.550  11.386  -1.532
  281    HB3  PHE  36           HB1      PHE  36 -27.798   9.934  -2.181
  282    HD1  PHE  36           HD1      PHE  36 -30.727  12.078  -2.223
  283    HD2  PHE  36           HD2      PHE  36 -29.080   8.408  -3.616
  284    HE1  PHE  36           HE1      PHE  36 -32.488  11.940  -3.937
  285    HE2  PHE  36           HE2      PHE  36 -30.837   8.265  -5.328
  286    HZ   PHE  36           HZ       PHE  36 -32.546  10.032  -5.491
  287    H    VAL  37           HN       VAL  37 -26.773   8.477  -0.508
  288    HA   VAL  37           HA       VAL  37 -25.750  10.058   1.747
  289    HB   VAL  37           HB       VAL  37 -25.170   7.127   1.265
  290   HG11  VAL  37          HG11      VAL  37 -23.940   7.228   3.373
  291   HG12  VAL  37          HG12      VAL  37 -24.252   8.962   3.472
  292   HG13  VAL  37          HG13      VAL  37 -23.248   8.318   2.172
  293   HG21  VAL  37          HG21      VAL  37 -26.748   8.451   3.464
  294   HG22  VAL  37          HG22      VAL  37 -26.358   6.735   3.362
  295   HG23  VAL  37          HG23      VAL  37 -27.413   7.474   2.156
  296    H    ARG  38           HN       ARG  38 -24.395  11.406   0.802
  297    HA   ARG  38           HA       ARG  38 -22.765  10.650  -1.458
  298    HB2  ARG  38           HB2      ARG  38 -23.636  12.935  -1.304
  299    HB3  ARG  38           HB1      ARG  38 -22.805  13.165   0.228
  300    HG2  ARG  38           HG2      ARG  38 -20.655  12.986  -0.874
  301    HG3  ARG  38           HG1      ARG  38 -21.455  12.667  -2.416
  302    HD2  ARG  38           HD2      ARG  38 -21.766  15.182  -0.782
  303    HD3  ARG  38           HD1      ARG  38 -20.713  15.010  -2.186
  304    HE   ARG  38           HE       ARG  38 -22.884  14.421  -3.391
  305   HH11  ARG  38          HH11      ARG  38 -22.687  16.687  -0.723
  306   HH12  ARG  38          HH12      ARG  38 -24.066  17.605  -1.238
  307   HH21  ARG  38          HH21      ARG  38 -24.707  15.623  -4.057
  308   HH22  ARG  38          HH22      ARG  38 -25.207  17.009  -3.139
  309    H    SER  39           HN       SER  39 -21.257   9.181  -0.945
  310    HA   SER  39           HA       SER  39 -19.695   9.640   1.496
  311    HB2  SER  39           HB2      SER  39 -19.189   7.154   1.299
  312    HB3  SER  39           HB1      SER  39 -20.852   7.577   1.704
  313    HG   SER  39           HG       SER  39 -21.279   7.378  -0.608
  314    H    LYS  40           HN       LYS  40 -17.555   9.790   1.406
  315    HA   LYS  40           HA       LYS  40 -16.252   9.769  -1.214
  316    HB2  LYS  40           HB2      LYS  40 -15.320  10.691   1.514
  317    HB3  LYS  40           HB1      LYS  40 -14.342  10.773   0.062
  318    HG2  LYS  40           HG2      LYS  40 -15.716  12.425  -0.894
  319    HG3  LYS  40           HG1      LYS  40 -17.002  12.144   0.283
  320    HD2  LYS  40           HD2      LYS  40 -15.703  14.206   0.730
  321    HD3  LYS  40           HD1      LYS  40 -15.642  13.048   2.057
  322    HE2  LYS  40           HE2      LYS  40 -13.457  12.238   1.072
  323    HE3  LYS  40           HE1      LYS  40 -13.514  13.649   0.018
  324    HZ1  LYS  40           HZ1      LYS  40 -12.191  14.146   1.923
  325    HZ2  LYS  40           HZ2      LYS  40 -13.409  13.645   2.983
  326    HZ3  LYS  40           HZ3      LYS  40 -13.626  15.037   2.041
  327    H    LEU  41           HN       LEU  41 -15.445   7.805  -1.773
  328    HA   LEU  41           HA       LEU  41 -14.198   6.232   0.338
  329    HB2  LEU  41           HB2      LEU  41 -15.376   4.226  -0.191
  330    HB3  LEU  41           HB1      LEU  41 -16.537   5.488   0.147
  331    HG   LEU  41           HG       LEU  41 -15.858   4.350  -2.570
  332   HD11  LEU  41          HD11      LEU  41 -17.260   2.953  -1.096
  333   HD12  LEU  41          HD12      LEU  41 -18.122   3.519  -2.523
  334   HD13  LEU  41          HD13      LEU  41 -18.407   4.285  -0.962
  335   HD21  LEU  41          HD21      LEU  41 -16.326   6.727  -2.802
  336   HD22  LEU  41          HD22      LEU  41 -17.802   6.544  -1.854
  337   HD23  LEU  41          HD23      LEU  41 -17.665   5.766  -3.432
  338    H    ARG  42           HN       ARG  42 -12.612   4.859  -0.242
  339    HA   ARG  42           HA       ARG  42 -11.419   5.480  -2.848
  340    HB2  ARG  42           HB2      ARG  42 -10.067   6.214  -1.034
  341    HB3  ARG  42           HB1      ARG  42 -10.269   4.697  -0.175
  342    HG2  ARG  42           HG2      ARG  42  -8.931   3.559  -1.885
  343    HG3  ARG  42           HG1      ARG  42  -8.710   5.099  -2.722
  344    HD2  ARG  42           HD2      ARG  42  -7.518   6.013  -0.855
  345    HD3  ARG  42           HD1      ARG  42  -7.894   4.604   0.135
  346    HE   ARG  42           HE       ARG  42  -6.528   3.405  -1.734
  347   HH11  ARG  42          HH11      ARG  42  -5.857   6.523  -0.285
  348   HH12  ARG  42          HH12      ARG  42  -4.144   6.411  -0.533
  349   HH21  ARG  42          HH21      ARG  42  -4.274   3.247  -2.041
  350   HH22  ARG  42          HH22      ARG  42  -3.241   4.554  -1.548
  351    H    ASN  43           HN       ASN  43 -11.161   3.926  -4.332
  352    HA   ASN  43           HA       ASN  43 -11.823   1.185  -3.836
  353    HB2  ASN  43           HB2      ASN  43 -11.951   2.327  -6.097
  354    HB3  ASN  43           HB1      ASN  43 -10.193   2.284  -6.143
  355   HD21  ASN  43          HD21      ASN  43 -12.079   1.049  -7.942
  356   HD22  ASN  43          HD22      ASN  43 -11.748  -0.650  -7.911
  357    H    LEU  44           HN       LEU  44 -10.571  -0.238  -2.779
  358    HA   LEU  44           HA       LEU  44  -8.007   0.491  -1.843
  359    HB2  LEU  44           HB2      LEU  44  -9.337  -2.209  -1.875
  360    HB3  LEU  44           HB1      LEU  44  -7.825  -1.872  -1.063
  361    HG   LEU  44           HG       LEU  44  -9.239  -0.042   0.184
  362   HD11  LEU  44          HD11      LEU  44 -11.352  -1.997  -0.697
  363   HD12  LEU  44          HD12      LEU  44 -11.272  -0.279  -1.087
  364   HD13  LEU  44          HD13      LEU  44 -11.547  -0.794   0.576
  365   HD21  LEU  44          HD21      LEU  44  -9.738  -1.672   1.929
  366   HD22  LEU  44          HD22      LEU  44  -8.132  -1.926   1.244
  367   HD23  LEU  44          HD23      LEU  44  -9.466  -2.984   0.782
  368    H    ARG  45           HN       ARG  45  -9.035  -1.165  -4.694
  369    HA   ARG  45           HA       ARG  45  -6.516  -2.452  -5.184
  370    HB2  ARG  45           HB2      ARG  45  -8.939  -2.012  -6.930
  371    HB3  ARG  45           HB1      ARG  45  -7.497  -2.855  -7.479
  372    HG2  ARG  45           HG2      ARG  45  -7.791  -4.532  -5.743
  373    HG3  ARG  45           HG1      ARG  45  -9.218  -3.678  -5.151
  374    HD2  ARG  45           HD2      ARG  45 -10.386  -4.089  -7.202
  375    HD3  ARG  45           HD1      ARG  45  -8.940  -4.765  -7.947
  376    HE   ARG  45           HE       ARG  45  -9.124  -6.604  -6.310
  377   HH11  ARG  45          HH11      ARG  45 -11.952  -4.680  -7.055
  378   HH12  ARG  45          HH12      ARG  45 -13.078  -5.923  -6.607
  379   HH21  ARG  45          HH21      ARG  45 -10.589  -8.263  -5.755
  380   HH22  ARG  45          HH22      ARG  45 -12.300  -7.966  -5.873
  381    H    THR  46           HN       THR  46  -8.165   0.390  -6.542
  382    HA   THR  46           HA       THR  46  -5.851   0.911  -8.226
  383    HB   THR  46           HB       THR  46  -7.312   2.614  -9.282
  384    HG1  THR  46           HG1      THR  46  -9.640   2.314  -8.573
  385   HG21  THR  46          HG21      THR  46  -8.896   1.028 -10.286
  386   HG22  THR  46          HG22      THR  46  -8.536  -0.131  -9.004
  387   HG23  THR  46          HG23      THR  46  -7.279   0.338 -10.150
  388    H    GLY  47           HN       GLY  47  -7.179   1.931  -5.274
  389    HA2  GLY  47           HA2      GLY  47  -6.422   3.521  -3.772
  390    HA3  GLY  47           HA1      GLY  47  -5.232   4.025  -4.963
  391    H    ALA  48           HN       ALA  48  -8.281   3.873  -6.324
  392    HA   ALA  48           HA       ALA  48  -8.253   6.644  -6.902
  393    HB1  ALA  48           HB1      ALA  48 -10.323   6.228  -8.096
  394    HB2  ALA  48           HB2      ALA  48 -10.446   4.631  -7.350
  395    HB3  ALA  48           HB3      ALA  48  -9.123   4.989  -8.462
  396    H    ILE  49           HN       ILE  49  -9.172   8.302  -5.929
  397    HA   ILE  49           HA       ILE  49 -10.899   7.858  -3.621
  398    HB   ILE  49           HB       ILE  49  -9.934  10.496  -4.728
  399   HG12  ILE  49          HG12      ILE  49  -7.979   9.145  -4.194
  400   HG13  ILE  49          HG11      ILE  49  -8.169  10.423  -3.000
  401   HG21  ILE  49          HG21      ILE  49 -10.384  11.315  -2.458
  402   HG22  ILE  49          HG22      ILE  49 -10.986   9.719  -2.012
  403   HG23  ILE  49          HG23      ILE  49 -11.832  10.671  -3.231
  404   HD11  ILE  49          HD11      ILE  49  -9.185   8.787  -1.464
  405   HD12  ILE  49          HD12      ILE  49  -7.531   8.378  -1.917
  406   HD13  ILE  49          HD13      ILE  49  -8.884   7.524  -2.657
  407    H    GLN  50           HN       GLN  50 -12.912   7.336  -4.351
  408    HA   GLN  50           HA       GLN  50 -14.116   9.122  -6.358
  409    HB2  GLN  50           HB2      GLN  50 -13.870   6.689  -6.980
  410    HB3  GLN  50           HB1      GLN  50 -14.969   6.304  -5.664
  411    HG2  GLN  50           HG2      GLN  50 -16.716   7.647  -6.748
  412    HG3  GLN  50           HG1      GLN  50 -15.610   7.984  -8.078
  413   HE21  GLN  50          HE21      GLN  50 -15.083   6.338  -9.515
  414   HE22  GLN  50          HE22      GLN  50 -16.020   4.893  -9.638
  415    H    GLU  51           HN       GLU  51 -16.524   9.395  -6.059
  416    HA   GLU  51           HA       GLU  51 -17.348   9.036  -3.280
  417    HB2  GLU  51           HB2      GLU  51 -18.537  11.214  -3.364
  418    HB3  GLU  51           HB1      GLU  51 -16.789  11.366  -3.423
  419    HG2  GLU  51           HG2      GLU  51 -16.902  11.709  -5.843
  420    HG3  GLU  51           HG1      GLU  51 -18.659  11.575  -5.774
  421    H    LYS  52           HN       LYS  52 -19.210   8.059  -3.069
  422    HA   LYS  52           HA       LYS  52 -20.870   7.718  -5.478
  423    HB2  LYS  52           HB2      LYS  52 -20.143   5.793  -3.287
  424    HB3  LYS  52           HB1      LYS  52 -21.582   5.550  -4.264
  425    HG2  LYS  52           HG2      LYS  52 -20.198   5.489  -6.279
  426    HG3  LYS  52           HG1      LYS  52 -18.756   5.719  -5.288
  427    HD2  LYS  52           HD2      LYS  52 -19.047   3.623  -4.223
  428    HD3  LYS  52           HD1      LYS  52 -20.676   3.440  -4.874
  429    HE2  LYS  52           HE2      LYS  52 -18.112   3.436  -6.463
  430    HE3  LYS  52           HE1      LYS  52 -19.088   2.022  -6.063
  431    HZ1  LYS  52           HZ1      LYS  52 -20.943   3.368  -7.240
  432    HZ2  LYS  52           HZ2      LYS  52 -19.817   2.512  -8.160
  433    HZ3  LYS  52           HZ3      LYS  52 -19.652   4.188  -7.965
  434    H    THR  53           HN       THR  53 -23.087   7.749  -5.253
  435    HA   THR  53           HA       THR  53 -24.060   8.734  -2.663
  436    HB   THR  53           HB       THR  53 -26.032   9.583  -4.077
  437    HG1  THR  53           HG1      THR  53 -25.892   9.295  -6.161
  438   HG21  THR  53          HG21      THR  53 -24.830  11.642  -4.683
  439   HG22  THR  53          HG22      THR  53 -23.296  10.812  -4.425
  440   HG23  THR  53          HG23      THR  53 -24.394  11.079  -3.071
  441    H    PHE  54           HN       PHE  54 -24.819   7.030  -1.602
  442    HA   PHE  54           HA       PHE  54 -26.170   4.868  -2.970
  443    HB2  PHE  54           HB2      PHE  54 -25.632   5.365  -0.035
  444    HB3  PHE  54           HB1      PHE  54 -26.360   3.897  -0.680
  445    HD1  PHE  54           HD1      PHE  54 -24.971   2.567  -2.400
  446    HD2  PHE  54           HD2      PHE  54 -23.326   5.546   0.162
  447    HE1  PHE  54           HE1      PHE  54 -22.725   1.610  -2.728
  448    HE2  PHE  54           HE2      PHE  54 -21.086   4.586  -0.155
  449    HZ   PHE  54           HZ       PHE  54 -20.782   2.621  -1.606
  450    H    ARG  55           HN       ARG  55 -28.360   4.300  -2.672
  451    HA   ARG  55           HA       ARG  55 -30.007   6.631  -1.946
  452    HB2  ARG  55           HB2      ARG  55 -30.069   6.095  -4.322
  453    HB3  ARG  55           HB1      ARG  55 -30.551   4.444  -3.955
  454    HG2  ARG  55           HG2      ARG  55 -32.627   5.306  -2.947
  455    HG3  ARG  55           HG1      ARG  55 -32.148   6.939  -3.416
  456    HD2  ARG  55           HD2      ARG  55 -32.181   6.315  -5.748
  457    HD3  ARG  55           HD1      ARG  55 -32.535   4.641  -5.325
  458    HE   ARG  55           HE       ARG  55 -34.382   6.875  -4.754
  459   HH11  ARG  55          HH11      ARG  55 -33.758   3.589  -5.839
  460   HH12  ARG  55          HH12      ARG  55 -35.437   3.243  -6.126
  461   HH21  ARG  55          HH21      ARG  55 -36.567   6.415  -5.136
  462   HH22  ARG  55          HH22      ARG  55 -37.037   4.852  -5.717
  463    H    ALA  56           HN       ALA  56 -31.638   6.426  -0.530
  464    HA   ALA  56           HA       ALA  56 -31.812   4.202   1.183
  465    HB1  ALA  56           HB1      ALA  56 -33.824   6.408   0.748
  466    HB2  ALA  56           HB2      ALA  56 -32.474   6.441   1.880
  467    HB3  ALA  56           HB3      ALA  56 -33.793   5.295   2.114
  468    H    GLY  57           HN       GLY  57 -32.951   2.386   1.128
  469    HA2  GLY  57           HA2      GLY  57 -34.865   1.072   0.473
  470    HA3  GLY  57           HA1      GLY  57 -34.986   2.056  -0.983
  471    H    GLU  58           HN       GLU  58 -31.929   1.890  -1.000
  472    HA   GLU  58           HA       GLU  58 -31.754  -0.743  -2.296
  473    HB2  GLU  58           HB2      GLU  58 -30.185   1.790  -2.849
  474    HB3  GLU  58           HB1      GLU  58 -29.981   0.259  -3.692
  475    HG2  GLU  58           HG2      GLU  58 -32.144   0.401  -4.657
  476    HG3  GLU  58           HG1      GLU  58 -32.581   1.762  -3.629
  477    H    LYS  59           HN       LYS  59 -29.802  -1.935  -1.990
  478    HA   LYS  59           HA       LYS  59 -28.279  -1.140   0.402
  479    HB2  LYS  59           HB2      LYS  59 -28.302  -3.509   1.121
  480    HB3  LYS  59           HB1      LYS  59 -29.912  -2.806   1.084
  481    HG2  LYS  59           HG2      LYS  59 -30.375  -3.903  -1.026
  482    HG3  LYS  59           HG1      LYS  59 -28.739  -4.561  -1.062
  483    HD2  LYS  59           HD2      LYS  59 -29.209  -5.804   1.002
  484    HD3  LYS  59           HD1      LYS  59 -30.851  -5.157   1.007
  485    HE2  LYS  59           HE2      LYS  59 -31.326  -6.257  -1.096
  486    HE3  LYS  59           HE1      LYS  59 -29.663  -6.834  -1.199
  487    HZ1  LYS  59           HZ1      LYS  59 -31.678  -7.612   0.837
  488    HZ2  LYS  59           HZ2      LYS  59 -30.059  -8.098   0.857
  489    HZ3  LYS  59           HZ3      LYS  59 -31.072  -8.586  -0.407
  490    H    VAL  60           HN       VAL  60 -26.198  -2.332   0.599
  491    HA   VAL  60           HA       VAL  60 -25.199  -3.283  -1.990
  492    HB   VAL  60           HB       VAL  60 -23.006  -2.099  -1.468
  493   HG11  VAL  60          HG11      VAL  60 -25.434  -0.432  -2.119
  494   HG12  VAL  60          HG12      VAL  60 -24.502  -1.401  -3.260
  495   HG13  VAL  60          HG13      VAL  60 -23.762  -0.005  -2.481
  496   HG21  VAL  60          HG21      VAL  60 -23.254  -0.011  -0.127
  497   HG22  VAL  60          HG22      VAL  60 -23.353  -1.491   0.822
  498   HG23  VAL  60          HG23      VAL  60 -24.823  -0.606   0.419
  499    H    GLU  61           HN       GLU  61 -23.234  -4.503  -1.869
  500    HA   GLU  61           HA       GLU  61 -23.375  -6.392   0.313
  501    HB2  GLU  61           HB2      GLU  61 -21.631  -6.344  -2.158
  502    HB3  GLU  61           HB1      GLU  61 -21.824  -7.707  -1.064
  503    HG2  GLU  61           HG2      GLU  61 -24.054  -8.055  -1.730
  504    HG3  GLU  61           HG1      GLU  61 -24.130  -6.496  -2.550
  505    HA   PRO  62           HA       PRO  62 -19.890  -4.693   2.468
  506    HB2  PRO  62           HB2      PRO  62 -19.308  -6.780   4.066
  507    HB3  PRO  62           HB1      PRO  62 -20.751  -5.790   4.309
  508    HG2  PRO  62           HG2      PRO  62 -20.485  -8.458   2.976
  509    HG3  PRO  62           HG1      PRO  62 -21.727  -7.895   4.109
  510    HD2  PRO  62           HD2      PRO  62 -22.098  -7.974   1.413
  511    HD3  PRO  62           HD1      PRO  62 -22.904  -6.797   2.469
  512    H    ALA  63           HN       ALA  63 -17.661  -4.827   2.562
  513    HA   ALA  63           HA       ALA  63 -16.419  -7.006   1.021
  514    HB1  ALA  63           HB1      ALA  63 -15.632  -4.100   1.119
  515    HB2  ALA  63           HB2      ALA  63 -16.270  -4.979  -0.266
  516    HB3  ALA  63           HB3      ALA  63 -14.670  -5.370   0.364
  517    H    MET  64           HN       MET  64 -15.350  -8.289   2.381
  518    HA   MET  64           HA       MET  64 -14.385  -7.241   4.914
  519    HB2  MET  64           HB2      MET  64 -14.370 -10.053   3.801
  520    HB3  MET  64           HB1      MET  64 -13.861  -9.609   5.424
  521    HG2  MET  64           HG2      MET  64 -16.625  -9.291   4.282
  522    HG3  MET  64           HG1      MET  64 -16.105 -10.526   5.427
  523    HE1  MET  64           HE1      MET  64 -18.459  -8.189   7.545
  524    HE2  MET  64           HE2      MET  64 -18.178  -9.833   6.972
  525    HE3  MET  64           HE3      MET  64 -18.633  -8.568   5.832
  526    H    ILE  65           HN       ILE  65 -12.499  -6.238   4.871
  527    HA   ILE  65           HA       ILE  65 -10.383  -7.228   3.104
  528    HB   ILE  65           HB       ILE  65 -10.453  -4.675   4.718
  529   HG12  ILE  65          HG12      ILE  65 -12.170  -4.648   2.998
  530   HG13  ILE  65          HG11      ILE  65 -10.859  -3.560   2.555
  531   HG21  ILE  65          HG21      ILE  65  -8.190  -5.416   4.275
  532   HG22  ILE  65          HG22      ILE  65  -8.565  -3.999   3.293
  533   HG23  ILE  65          HG23      ILE  65  -8.562  -5.603   2.561
  534   HD11  ILE  65          HD11      ILE  65  -9.988  -5.268   1.024
  535   HD12  ILE  65          HD12      ILE  65 -11.638  -4.786   0.627
  536   HD13  ILE  65          HD13      ILE  65 -11.340  -6.317   1.450
  537    H    GLU  66           HN       GLU  66  -8.781  -8.364   3.864
  538    HA   GLU  66           HA       GLU  66  -8.296  -8.398   6.768
  539    HB2  GLU  66           HB2      GLU  66  -7.413 -10.755   6.274
  540    HB3  GLU  66           HB1      GLU  66  -9.157 -10.528   6.224
  541    HG2  GLU  66           HG2      GLU  66  -9.083 -10.381   3.798
  542    HG3  GLU  66           HG1      GLU  66  -7.333 -10.567   3.832
  543    H    ASN  67           HN       ASN  67  -6.198  -8.139   7.441
  544    HA   ASN  67           HA       ASN  67  -4.223  -7.737   5.294
  545    HB2  ASN  67           HB2      ASN  67  -4.525  -6.331   7.936
  546    HB3  ASN  67           HB1      ASN  67  -2.991  -6.345   7.075
  547   HD21  ASN  67          HD21      ASN  67  -6.178  -6.208   5.597
  548   HD22  ASN  67          HD22      ASN  67  -6.008  -4.617   4.948
  549    H    ARG  68           HN       ARG  68  -2.822  -9.311   5.156
  550    HA   ARG  68           HA       ARG  68  -2.171 -10.822   7.593
  551    HB2  ARG  68           HB2      ARG  68  -1.954 -11.700   4.714
  552    HB3  ARG  68           HB1      ARG  68  -1.558 -12.672   6.119
  553    HG2  ARG  68           HG2      ARG  68  -3.950 -12.479   6.823
  554    HG3  ARG  68           HG1      ARG  68  -4.276 -11.721   5.258
  555    HD2  ARG  68           HD2      ARG  68  -3.249 -13.726   4.175
  556    HD3  ARG  68           HD1      ARG  68  -3.181 -14.479   5.765
  557    HE   ARG  68           HE       ARG  68  -5.783 -13.560   4.801
  558   HH11  ARG  68          HH11      ARG  68  -3.607 -16.192   5.586
  559   HH12  ARG  68          HH12      ARG  68  -4.807 -17.430   5.313
  560   HH21  ARG  68          HH21      ARG  68  -7.361 -15.153   4.473
  561   HH22  ARG  68          HH22      ARG  68  -6.957 -16.829   4.692
  562    H    ARG  69           HN       ARG  69  -0.233 -10.317   8.384
  563    HA   ARG  69           HA       ARG  69   1.804  -9.136   6.769
  564    HB2  ARG  69           HB2      ARG  69   3.208  -9.326   8.795
  565    HB3  ARG  69           HB1      ARG  69   1.667  -8.543   9.107
  566    HG2  ARG  69           HG2      ARG  69   0.896 -10.915   9.824
  567    HG3  ARG  69           HG1      ARG  69   2.625 -11.242   9.953
  568    HD2  ARG  69           HD2      ARG  69   1.052  -9.123  11.400
  569    HD3  ARG  69           HD1      ARG  69   1.820 -10.543  12.101
  570    HE   ARG  69           HE       ARG  69   3.980  -9.486  11.352
  571   HH11  ARG  69          HH11      ARG  69   1.134  -7.562  12.060
  572   HH12  ARG  69          HH12      ARG  69   2.039  -6.156  12.517
  573   HH21  ARG  69          HH21      ARG  69   5.172  -7.615  11.959
  574   HH22  ARG  69          HH22      ARG  69   4.326  -6.186  12.457
  575    H    MET  70           HN       MET  70   3.194 -10.147   5.503
  576    HA   MET  70           HA       MET  70   3.582 -13.027   5.921
  577    HB2  MET  70           HB2      MET  70   3.431 -11.697   3.218
  578    HB3  MET  70           HB1      MET  70   3.529 -13.417   3.554
  579    HG2  MET  70           HG2      MET  70   1.296 -13.105   4.772
  580    HG3  MET  70           HG1      MET  70   1.213 -11.563   3.935
  581    HE1  MET  70           HE1      MET  70  -0.981 -13.864   3.704
  582    HE2  MET  70           HE2      MET  70  -1.318 -13.850   1.974
  583    HE3  MET  70           HE3      MET  70  -1.118 -12.330   2.844
  584    H    GLN  71           HN       GLN  71   5.580 -13.864   5.445
  585    HA   GLN  71           HA       GLN  71   7.771 -12.025   5.599
  586    HB2  GLN  71           HB2      GLN  71   7.734 -14.267   6.713
  587    HB3  GLN  71           HB1      GLN  71   7.855 -14.999   5.122
  588    HG2  GLN  71           HG2      GLN  71   9.988 -13.808   4.774
  589    HG3  GLN  71           HG1      GLN  71   9.878 -13.202   6.426
  590   HE21  GLN  71          HE21      GLN  71   8.853 -16.401   5.470
  591   HE22  GLN  71          HE22      GLN  71  10.099 -17.263   6.298
  592    H    TYR  72           HN       TYR  72   9.139 -11.406   4.032
  593    HA   TYR  72           HA       TYR  72   8.209 -11.626   1.332
  594    HB2  TYR  72           HB2      TYR  72   9.292  -9.586   2.433
  595    HB3  TYR  72           HB1      TYR  72  10.825 -10.418   2.220
  596    HD1  TYR  72           HD1      TYR  72  11.495 -11.081  -0.165
  597    HD2  TYR  72           HD2      TYR  72   8.373  -8.324   0.696
  598    HE1  TYR  72           HE1      TYR  72  11.648 -10.199  -2.451
  599    HE2  TYR  72           HE2      TYR  72   8.518  -7.436  -1.592
  600    HH   TYR  72           HH       TYR  72  10.075  -7.317  -3.423
  601    H    LEU  73           HN       LEU  73   8.475 -13.592   0.445
  602    HA   LEU  73           HA       LEU  73  11.212 -14.641   0.251
  603    HB2  LEU  73           HB2      LEU  73   8.529 -15.911  -0.291
  604    HB3  LEU  73           HB1      LEU  73  10.021 -16.612  -0.877
  605    HG   LEU  73           HG       LEU  73  10.801 -16.720   1.523
  606   HD11  LEU  73          HD11      LEU  73   9.263 -15.083   2.474
  607   HD12  LEU  73          HD12      LEU  73   9.104 -16.650   3.268
  608   HD13  LEU  73          HD13      LEU  73   7.900 -16.133   2.087
  609   HD21  LEU  73          HD21      LEU  73   8.332 -18.274   0.777
  610   HD22  LEU  73          HD22      LEU  73   9.506 -18.727   2.013
  611   HD23  LEU  73          HD23      LEU  73   9.988 -18.667   0.318
  612    H    TYR  74           HN       TYR  74  11.189 -15.851  -2.201
  613    HA   TYR  74           HA       TYR  74  10.469 -13.750  -4.080
  614    HB2  TYR  74           HB2      TYR  74  12.739 -13.389  -4.850
  615    HB3  TYR  74           HB1      TYR  74  12.631 -13.045  -3.128
  616    HD1  TYR  74           HD1      TYR  74  13.215 -15.139  -1.581
  617    HD2  TYR  74           HD2      TYR  74  14.546 -14.620  -5.586
  618    HE1  TYR  74           HE1      TYR  74  15.091 -16.659  -1.147
  619    HE2  TYR  74           HE2      TYR  74  16.427 -16.146  -5.163
  620    HH   TYR  74           HH       TYR  74  16.608 -18.107  -2.379
  621    H    ALA  75           HN       ALA  75  10.744 -14.261  -6.236
  622    HA   ALA  75           HA       ALA  75  11.639 -16.891  -7.040
  623    HB1  ALA  75           HB1      ALA  75   9.590 -17.438  -8.231
  624    HB2  ALA  75           HB2      ALA  75   8.840 -15.943  -7.673
  625    HB3  ALA  75           HB3      ALA  75   9.240 -17.214  -6.518
  626    H    ASP  76           HN       ASP  76  10.636 -16.630  -9.740
  627    HA   ASP  76           HA       ASP  76  12.395 -14.585 -10.715
  628    HB2  ASP  76           HB2      ASP  76  11.956 -16.690 -11.986
  629    HB3  ASP  76           HB1      ASP  76  10.303 -16.145 -12.257
  630    H    GLY  77           HN       GLY  77  11.734 -12.576 -11.771
  631    HA2  GLY  77           HA2      GLY  77   9.643 -11.484 -10.136
  632    HA3  GLY  77           HA1      GLY  77  10.654 -10.591 -11.256
  633    H    ASP  78           HN       ASP  78   8.195 -13.120 -11.481
  634    HA   ASP  78           HA       ASP  78   6.428 -11.092 -12.648
  635    HB2  ASP  78           HB2      ASP  78   6.586 -14.034 -13.309
  636    HB3  ASP  78           HB1      ASP  78   5.133 -13.085 -13.618
  637    H    ASN  79           HN       ASN  79   7.086 -13.687 -10.501
  638    HA   ASN  79           HA       ASN  79   4.775 -12.979  -8.851
  639    HB2  ASN  79           HB2      ASN  79   5.646 -15.765  -9.644
  640    HB3  ASN  79           HB1      ASN  79   4.577 -15.447  -8.277
  641   HD21  ASN  79          HD21      ASN  79   4.154 -16.940 -10.767
  642   HD22  ASN  79          HD22      ASN  79   2.763 -16.231 -11.508
  643    H    HIS  80           HN       HIS  80   5.261 -12.850  -6.711
  644    HA   HIS  80           HA       HIS  80   7.841 -13.983  -5.841
  645    HB2  HIS  80           HB2      HIS  80   6.604 -11.333  -5.221
  646    HB3  HIS  80           HB1      HIS  80   7.570 -12.124  -3.983
  647    HD1  HIS  80           HD1      HIS  80   9.843 -11.159  -3.973
  648    HD2  HIS  80           HD2      HIS  80   8.317 -11.456  -7.834
  649    HE1  HIS  80           HE1      HIS  80  11.656 -10.299  -5.488
  650    HE2  HIS  80           HE2      HIS  80  10.739 -10.541  -7.821
  651    H    VAL  81           HN       VAL  81   7.877 -15.018  -3.859
  652    HA   VAL  81           HA       VAL  81   5.270 -15.998  -3.033
  653    HB   VAL  81           HB       VAL  81   8.018 -16.876  -2.131
  654   HG11  VAL  81          HG11      VAL  81   6.257 -17.462  -0.546
  655   HG12  VAL  81          HG12      VAL  81   6.871 -18.901  -1.360
  656   HG13  VAL  81          HG13      VAL  81   5.323 -18.208  -1.844
  657   HG21  VAL  81          HG21      VAL  81   6.203 -18.015  -4.254
  658   HG22  VAL  81          HG22      VAL  81   7.690 -18.768  -3.680
  659   HG23  VAL  81          HG23      VAL  81   7.753 -17.218  -4.521
  660    H    PHE  82           HN       PHE  82   4.289 -15.407  -1.187
  661    HA   PHE  82           HA       PHE  82   5.917 -14.156   0.922
  662    HB2  PHE  82           HB2      PHE  82   3.129 -13.397   0.012
  663    HB3  PHE  82           HB1      PHE  82   3.857 -12.823   1.507
  664    HD1  PHE  82           HD1      PHE  82   4.146 -12.747  -2.179
  665    HD2  PHE  82           HD2      PHE  82   5.402 -11.047   1.517
  666    HE1  PHE  82           HE1      PHE  82   5.202 -10.889  -3.394
  667    HE2  PHE  82           HE2      PHE  82   6.457  -9.189   0.301
  668    HZ   PHE  82           HZ       PHE  82   6.357  -9.107  -2.155
  669    H    MET  83           HN       MET  83   5.792 -15.193   2.814
  670    HA   MET  83           HA       MET  83   3.882 -17.400   2.973
  671    HB2  MET  83           HB2      MET  83   6.478 -16.825   4.327
  672    HB3  MET  83           HB1      MET  83   5.326 -17.895   5.110
  673    HG2  MET  83           HG2      MET  83   5.302 -19.301   3.090
  674    HG3  MET  83           HG1      MET  83   6.520 -18.251   2.372
  675    HE1  MET  83           HE1      MET  83   6.639 -21.503   2.879
  676    HE2  MET  83           HE2      MET  83   8.346 -21.663   3.287
  677    HE3  MET  83           HE3      MET  83   7.850 -20.604   1.968
  678    H    ASP  84           HN       ASP  84   2.055 -17.061   3.912
  679    HA   ASP  84           HA       ASP  84   1.438 -14.777   5.399
  680    HB2  ASP  84           HB2      ASP  84  -0.266 -16.011   4.172
  681    HB3  ASP  84           HB1      ASP  84  -0.049 -17.391   5.239
  682    H    ASN  85           HN       ASN  85   2.095 -14.268   7.325
  683    HA   ASN  85           HA       ASN  85   2.824 -16.313   9.237
  684    HB2  ASN  85           HB2      ASN  85   2.934 -13.296   9.334
  685    HB3  ASN  85           HB1      ASN  85   3.417 -14.327  10.681
  686   HD21  ASN  85          HD21      ASN  85   4.966 -12.435   9.009
  687   HD22  ASN  85          HD22      ASN  85   6.283 -13.366   8.388
  688    H    GLU  86           HN       GLU  86   0.013 -14.722   8.328
  689    HA   GLU  86           HA       GLU  86  -1.294 -14.605  10.868
  690    HB2  GLU  86           HB2      GLU  86  -1.964 -13.723   8.392
  691    HB3  GLU  86           HB1      GLU  86  -2.905 -15.204   8.444
  692    HG2  GLU  86           HG2      GLU  86  -3.059 -12.932  10.409
  693    HG3  GLU  86           HG1      GLU  86  -4.228 -13.301   9.144
  694    H    SER  87           HN       SER  87  -1.484 -16.964   8.154
  695    HA   SER  87           HA       SER  87  -0.914 -19.066  10.014
  696    HB2  SER  87           HB2      SER  87  -3.051 -20.349   9.436
  697    HB3  SER  87           HB1      SER  87  -3.210 -19.005  10.566
  698    HG   SER  87           HG       SER  87  -3.560 -17.883   8.285
  699    H    PHE  88           HN       PHE  88   0.827 -19.204   8.438
  700    HA   PHE  88           HA       PHE  88   1.946 -20.615   7.085
  701    HB2  PHE  88           HB2      PHE  88  -0.382 -22.388   7.794
  702    HB3  PHE  88           HB1      PHE  88   1.151 -22.950   7.126
  703    HD1  PHE  88           HD1      PHE  88  -0.629 -21.955  10.091
  704    HD2  PHE  88           HD2      PHE  88   3.246 -22.630   8.462
  705    HE1  PHE  88           HE1      PHE  88   0.299 -22.101  12.364
  706    HE2  PHE  88           HE2      PHE  88   4.179 -22.776  10.734
  707    HZ   PHE  88           HZ       PHE  88   2.703 -22.511  12.688
  708    H    GLU  89           HN       GLU  89  -0.036 -18.960   5.516
  709    HA   GLU  89           HA       GLU  89  -0.538 -20.857   3.337
  710    HB2  GLU  89           HB2      GLU  89  -1.758 -18.174   3.936
  711    HB3  GLU  89           HB1      GLU  89  -2.000 -19.015   2.411
  712    HG2  GLU  89           HG2      GLU  89  -2.938 -20.926   3.627
  713    HG3  GLU  89           HG1      GLU  89  -2.741 -20.037   5.136
  714    H    GLN  90           HN       GLN  90   0.936 -20.940   1.781
  715    HA   GLN  90           HA       GLN  90   2.683 -18.738   1.223
  716    HB2  GLN  90           HB2      GLN  90   3.563 -20.139  -0.591
  717    HB3  GLN  90           HB1      GLN  90   3.474 -21.026   0.922
  718    HG2  GLN  90           HG2      GLN  90   1.426 -22.116   0.160
  719    HG3  GLN  90           HG1      GLN  90   1.519 -21.225  -1.356
  720   HE21  GLN  90          HE21      GLN  90   3.092 -21.777  -2.864
  721   HE22  GLN  90          HE22      GLN  90   3.942 -23.281  -2.793
  722    H    THR  91           HN       THR  91   2.220 -17.034   0.028
  723    HA   THR  91           HA       THR  91   0.005 -17.227  -1.898
  724    HB   THR  91           HB       THR  91   0.756 -14.807  -0.253
  725    HG1  THR  91           HG1      THR  91  -0.091 -16.129   1.243
  726   HG21  THR  91          HG21      THR  91  -1.482 -14.004  -0.917
  727   HG22  THR  91          HG22      THR  91  -1.687 -15.440  -1.921
  728   HG23  THR  91          HG23      THR  91  -0.433 -14.261  -2.311
  729    H    GLU  92           HN       GLU  92   0.337 -16.335  -3.917
  730    HA   GLU  92           HA       GLU  92   3.030 -15.257  -4.402
  731    HB2  GLU  92           HB2      GLU  92   1.058 -16.554  -6.284
  732    HB3  GLU  92           HB1      GLU  92   2.581 -15.838  -6.790
  733    HG2  GLU  92           HG2      GLU  92   3.822 -17.439  -5.497
  734    HG3  GLU  92           HG1      GLU  92   2.331 -18.101  -4.826
  735    H    LEU  93           HN       LEU  93   3.309 -13.256  -5.181
  736    HA   LEU  93           HA       LEU  93   0.894 -11.691  -5.814
  737    HB2  LEU  93           HB2      LEU  93   3.410 -11.045  -4.369
  738    HB3  LEU  93           HB1      LEU  93   2.671  -9.768  -5.309
  739    HG   LEU  93           HG       LEU  93   2.028  -9.639  -2.954
  740   HD11  LEU  93          HD11      LEU  93  -0.339  -9.418  -3.229
  741   HD12  LEU  93          HD12      LEU  93  -0.324 -10.483  -4.629
  742   HD13  LEU  93          HD13      LEU  93   0.453  -8.905  -4.718
  743   HD21  LEU  93          HD21      LEU  93   2.184 -11.973  -2.337
  744   HD22  LEU  93          HD22      LEU  93   0.817 -12.365  -3.382
  745   HD23  LEU  93          HD23      LEU  93   0.578 -11.351  -1.958
  746    H    SER  94           HN       SER  94   0.894 -10.345  -7.596
  747    HA   SER  94           HA       SER  94   2.453 -11.358  -9.786
  748    HB2  SER  94           HB2      SER  94   0.471  -9.090  -9.854
  749    HB3  SER  94           HB1      SER  94   0.970 -10.124 -11.192
  750    HG   SER  94           HG       SER  94   0.070 -11.734  -9.325
  751    H    SER  95           HN       SER  95   3.361  -9.888 -11.447
  752    HA   SER  95           HA       SER  95   5.487  -8.388 -10.585
  753    HB2  SER  95           HB2      SER  95   4.010  -7.920 -13.176
  754    HB3  SER  95           HB1      SER  95   5.721  -7.656 -12.854
  755    HG   SER  95           HG       SER  95   5.916  -9.607 -13.610
  756    H    ASP  96           HN       ASP  96   2.188  -7.359 -11.142
  757    HA   ASP  96           HA       ASP  96   2.473  -4.638 -11.474
  758    HB2  ASP  96           HB2      ASP  96   0.282  -6.050  -9.945
  759    HB3  ASP  96           HB1      ASP  96   0.192  -4.414 -10.586
  760    H    TYR  97           HN       TYR  97   2.446  -6.467  -8.451
  761    HA   TYR  97           HA       TYR  97   2.612  -4.025  -6.885
  762    HB2  TYR  97           HB2      TYR  97   2.854  -6.867  -5.889
  763    HB3  TYR  97           HB1      TYR  97   2.439  -5.436  -4.957
  764    HD1  TYR  97           HD1      TYR  97   1.207  -7.967  -7.297
  765    HD2  TYR  97           HD2      TYR  97   0.188  -4.516  -5.024
  766    HE1  TYR  97           HE1      TYR  97  -1.176  -8.452  -7.640
  767    HE2  TYR  97           HE2      TYR  97  -2.200  -4.992  -5.369
  768    HH   TYR  97           HH       TYR  97  -3.637  -6.201  -6.895
  769    H    LEU  98           HN       LEU  98   4.590  -6.745  -7.858
  770    HA   LEU  98           HA       LEU  98   6.701  -6.167  -6.036
  771    HB2  LEU  98           HB2      LEU  98   6.302  -8.127  -8.233
  772    HB3  LEU  98           HB1      LEU  98   7.924  -7.856  -7.626
  773    HG   LEU  98           HG       LEU  98   6.963  -9.768  -6.518
  774   HD11  LEU  98          HD11      LEU  98   8.419  -8.236  -5.225
  775   HD12  LEU  98          HD12      LEU  98   7.276  -9.133  -4.227
  776   HD13  LEU  98          HD13      LEU  98   6.971  -7.440  -4.606
  777   HD21  LEU  98          HD21      LEU  98   4.984  -9.549  -5.087
  778   HD22  LEU  98          HD22      LEU  98   4.612  -9.275  -6.790
  779   HD23  LEU  98          HD23      LEU  98   4.748  -7.907  -5.684
  780    H    LYS  99           HN       LYS  99   5.942  -5.095  -9.199
  781    HA   LYS  99           HA       LYS  99   8.501  -4.467 -10.146
  782    HB2  LYS  99           HB2      LYS  99   6.326  -4.386 -11.425
  783    HB3  LYS  99           HB1      LYS  99   6.000  -2.852 -10.639
  784    HG2  LYS  99           HG2      LYS  99   6.881  -2.437 -12.827
  785    HG3  LYS  99           HG1      LYS  99   8.076  -1.951 -11.626
  786    HD2  LYS  99           HD2      LYS  99   9.156  -3.124 -13.456
  787    HD3  LYS  99           HD1      LYS  99   9.270  -4.071 -11.973
  788    HE2  LYS  99           HE2      LYS  99   7.396  -5.459 -12.715
  789    HE3  LYS  99           HE1      LYS  99   7.269  -4.504 -14.191
  790    HZ1  LYS  99           HZ1      LYS  99   9.484  -5.228 -14.810
  791    HZ2  LYS  99           HZ2      LYS  99   8.484  -6.566 -14.548
  792    HZ3  LYS  99           HZ3      LYS  99   9.624  -6.121 -13.381
  793    H    GLU 100           HN       GLU 100   6.395  -2.846  -7.883
  794    HA   GLU 100           HA       GLU 100   8.156  -0.549  -7.672
  795    HB2  GLU 100           HB2      GLU 100   5.659  -1.304  -6.144
  796    HB3  GLU 100           HB1      GLU 100   6.543   0.201  -5.936
  797    HG2  GLU 100           HG2      GLU 100   5.119  -0.728  -8.413
  798    HG3  GLU 100           HG1      GLU 100   4.647   0.592  -7.343
  799    H    GLU 101           HN       GLU 101   7.231  -3.386  -5.785
  800    HA   GLU 101           HA       GLU 101   8.764  -2.807  -3.505
  801    HB2  GLU 101           HB2      GLU 101   7.878  -5.450  -4.646
  802    HB3  GLU 101           HB1      GLU 101   8.637  -5.266  -3.070
  803    HG2  GLU 101           HG2      GLU 101   6.831  -3.976  -2.252
  804    HG3  GLU 101           HG1      GLU 101   6.133  -3.818  -3.860
  805    H    LEU 102           HN       LEU 102   9.690  -4.065  -6.622
  806    HA   LEU 102           HA       LEU 102  12.221  -5.060  -5.792
  807    HB2  LEU 102           HB2      LEU 102  11.111  -4.280  -8.478
  808    HB3  LEU 102           HB1      LEU 102  12.762  -4.841  -8.279
  809    HG   LEU 102           HG       LEU 102  10.287  -6.417  -7.562
  810   HD11  LEU 102          HD11      LEU 102  10.884  -7.818  -9.475
  811   HD12  LEU 102          HD12      LEU 102  12.196  -6.712  -9.875
  812   HD13  LEU 102          HD13      LEU 102  10.523  -6.164  -9.965
  813   HD21  LEU 102          HD21      LEU 102  11.869  -8.291  -7.302
  814   HD22  LEU 102          HD22      LEU 102  12.141  -7.006  -6.127
  815   HD23  LEU 102          HD23      LEU 102  13.209  -7.166  -7.523
  816    H    ASN 103           HN       ASN 103  11.016  -1.955  -6.007
  817    HA   ASN 103           HA       ASN 103  13.635  -0.740  -6.373
  818    HB2  ASN 103           HB2      ASN 103  10.937   0.492  -5.742
  819    HB3  ASN 103           HB1      ASN 103  12.425   1.408  -5.952
  820   HD21  ASN 103          HD21      ASN 103   9.938   1.519  -7.452
  821   HD22  ASN 103          HD22      ASN 103  10.355   1.197  -9.100
  822    H    TYR 104           HN       TYR 104  11.181  -1.220  -3.853
  823    HA   TYR 104           HA       TYR 104  13.332  -0.889  -1.860
  824    HB2  TYR 104           HB2      TYR 104  10.461  -0.074  -1.384
  825    HB3  TYR 104           HB1      TYR 104  11.843   0.220  -0.342
  826    HD1  TYR 104           HD1      TYR 104  13.700   1.775  -1.316
  827    HD2  TYR 104           HD2      TYR 104   9.737   1.559  -2.842
  828    HE1  TYR 104           HE1      TYR 104  13.972   3.998  -2.332
  829    HE2  TYR 104           HE2      TYR 104   9.997   3.776  -3.861
  830    HH   TYR 104           HH       TYR 104  13.001   5.324  -4.161
  831    H    LEU 105           HN       LEU 105  13.639  -2.827  -0.928
  832    HA   LEU 105           HA       LEU 105  11.595  -4.138   0.486
  833    HB2  LEU 105           HB2      LEU 105  11.225  -6.140  -0.707
  834    HB3  LEU 105           HB1      LEU 105  10.996  -4.851  -1.859
  835    HG   LEU 105           HG       LEU 105  12.068  -6.542  -3.054
  836   HD11  LEU 105          HD11      LEU 105  14.278  -5.708  -3.643
  837   HD12  LEU 105          HD12      LEU 105  14.256  -4.661  -2.225
  838   HD13  LEU 105          HD13      LEU 105  13.084  -4.416  -3.520
  839   HD21  LEU 105          HD21      LEU 105  14.042  -6.865  -0.805
  840   HD22  LEU 105          HD22      LEU 105  14.081  -7.727  -2.344
  841   HD23  LEU 105          HD23      LEU 105  12.737  -7.973  -1.229
  842    H    LYS 106           HN       LYS 106  12.350  -6.140   1.528
  843    HA   LYS 106           HA       LYS 106  15.220  -6.637   1.377
  844    HB2  LYS 106           HB2      LYS 106  13.782  -6.114   3.989
  845    HB3  LYS 106           HB1      LYS 106  15.444  -6.658   3.826
  846    HG2  LYS 106           HG2      LYS 106  16.084  -4.576   2.809
  847    HG3  LYS 106           HG1      LYS 106  14.405  -4.034   2.775
  848    HD2  LYS 106           HD2      LYS 106  15.389  -2.959   4.628
  849    HD3  LYS 106           HD1      LYS 106  14.425  -4.273   5.297
  850    HE2  LYS 106           HE2      LYS 106  16.479  -4.303   6.462
  851    HE3  LYS 106           HE1      LYS 106  16.541  -5.648   5.324
  852    HZ1  LYS 106           HZ1      LYS 106  17.745  -2.983   4.823
  853    HZ2  LYS 106           HZ2      LYS 106  17.922  -4.370   3.864
  854    HZ3  LYS 106           HZ3      LYS 106  18.602  -4.316   5.414
  855    H    GLU 107           HN       GLU 107  15.721  -8.762   1.682
  856    HA   GLU 107           HA       GLU 107  13.685 -10.678   1.392
  857    HB2  GLU 107           HB2      GLU 107  16.556 -11.058   2.261
  858    HB3  GLU 107           HB1      GLU 107  15.482 -12.334   1.707
  859    HG2  GLU 107           HG2      GLU 107  16.281  -9.972   0.031
  860    HG3  GLU 107           HG1      GLU 107  17.116 -11.525   0.015
  861    H    GLY 108           HN       GLY 108  12.379 -11.572   2.880
  862    HA2  GLY 108           HA2      GLY 108  11.909 -12.664   4.910
  863    HA3  GLY 108           HA1      GLY 108  13.398 -12.017   5.578
  864    H    MET 109           HN       MET 109  11.877  -9.514   4.077
  865    HA   MET 109           HA       MET 109  11.301  -8.149   6.462
  866    HB2  MET 109           HB2      MET 109  11.851  -6.961   4.428
  867    HB3  MET 109           HB1      MET 109  10.426  -7.602   3.626
  868    HG2  MET 109           HG2      MET 109   9.027  -6.391   5.276
  869    HG3  MET 109           HG1      MET 109  10.495  -5.648   5.903
  870    HE1  MET 109           HE1      MET 109  12.275  -4.894   3.543
  871    HE2  MET 109           HE2      MET 109  11.790  -3.749   4.792
  872    HE3  MET 109           HE3      MET 109  11.651  -3.310   3.089
  873    H    GLU 110           HN       GLU 110   9.405  -7.576   7.453
  874    HA   GLU 110           HA       GLU 110   7.128  -9.347   7.069
  875    HB2  GLU 110           HB2      GLU 110   7.994  -8.869   9.339
  876    HB3  GLU 110           HB1      GLU 110   7.653  -7.162   9.100
  877    HG2  GLU 110           HG2      GLU 110   5.863  -7.881  10.363
  878    HG3  GLU 110           HG1      GLU 110   5.226  -7.922   8.721
  879    H    VAL 111           HN       VAL 111   5.948  -8.685   5.299
  880    HA   VAL 111           HA       VAL 111   5.307  -5.817   5.111
  881    HB   VAL 111           HB       VAL 111   4.740  -6.169   2.786
  882   HG11  VAL 111          HG11      VAL 111   7.406  -7.403   3.467
  883   HG12  VAL 111          HG12      VAL 111   7.065  -5.680   3.313
  884   HG13  VAL 111          HG13      VAL 111   6.953  -6.731   1.901
  885   HG21  VAL 111          HG21      VAL 111   5.473  -9.063   3.238
  886   HG22  VAL 111          HG22      VAL 111   5.079  -8.330   1.683
  887   HG23  VAL 111          HG23      VAL 111   3.850  -8.438   2.944
  888    H    GLN 112           HN       GLN 112   3.110  -5.215   4.521
  889    HA   GLN 112           HA       GLN 112   1.197  -7.057   5.774
  890    HB2  GLN 112           HB2      GLN 112   0.802  -4.158   5.023
  891    HB3  GLN 112           HB1      GLN 112  -0.307  -5.147   5.948
  892    HG2  GLN 112           HG2      GLN 112   2.452  -4.310   6.805
  893    HG3  GLN 112           HG1      GLN 112   0.932  -3.619   7.370
  894   HE21  GLN 112          HE21      GLN 112  -0.405  -4.852   8.716
  895   HE22  GLN 112          HE22      GLN 112   0.212  -6.199   9.610
  896    H    ILE 113           HN       ILE 113   0.583  -8.483   4.217
  897    HA   ILE 113           HA       ILE 113  -0.034  -7.590   1.536
  898    HB   ILE 113           HB       ILE 113  -0.441 -10.292   2.839
  899   HG12  ILE 113          HG12      ILE 113   1.936  -9.567   2.598
  900   HG13  ILE 113          HG11      ILE 113   1.540 -10.998   1.652
  901   HG21  ILE 113          HG21      ILE 113  -0.758 -11.142   0.564
  902   HG22  ILE 113          HG22      ILE 113  -0.648  -9.497  -0.062
  903   HG23  ILE 113          HG23      ILE 113  -1.987  -9.951   0.991
  904   HD11  ILE 113          HD11      ILE 113   1.744  -8.196   0.586
  905   HD12  ILE 113          HD12      ILE 113   1.399  -9.645  -0.356
  906   HD13  ILE 113          HD13      ILE 113   2.968  -9.455   0.427
  907    H    GLN 114           HN       GLN 114  -1.921  -6.670   1.067
  908    HA   GLN 114           HA       GLN 114  -4.116  -6.951   2.952
  909    HB2  GLN 114           HB2      GLN 114  -3.256  -4.715   2.032
  910    HB3  GLN 114           HB1      GLN 114  -4.063  -5.164   0.536
  911    HG2  GLN 114           HG2      GLN 114  -6.187  -5.185   1.594
  912    HG3  GLN 114           HG1      GLN 114  -5.458  -5.021   3.190
  913   HE21  GLN 114          HE21      GLN 114  -4.611  -3.036   3.820
  914   HE22  GLN 114          HE22      GLN 114  -5.032  -1.568   3.011
  915    H    THR 115           HN       THR 115  -5.511  -8.508   2.625
  916    HA   THR 115           HA       THR 115  -6.037  -9.365  -0.128
  917    HB   THR 115           HB       THR 115  -6.747 -11.560   1.126
  918    HG1  THR 115           HG1      THR 115  -6.114 -11.698   3.145
  919   HG21  THR 115          HG21      THR 115  -4.947 -11.482  -0.488
  920   HG22  THR 115          HG22      THR 115  -4.429 -12.409   0.919
  921   HG23  THR 115          HG23      THR 115  -3.871 -10.751   0.701
  922    H    TYR 116           HN       TYR 116  -8.136 -10.149  -0.596
  923    HA   TYR 116           HA       TYR 116 -10.273  -9.336   1.240
  924    HB2  TYR 116           HB2      TYR 116 -10.316  -7.651  -0.421
  925    HB3  TYR 116           HB1      TYR 116  -9.976  -8.793  -1.712
  926    HD1  TYR 116           HD1      TYR 116 -12.617  -8.198   0.881
  927    HD2  TYR 116           HD2      TYR 116 -11.705  -9.299  -3.124
  928    HE1  TYR 116           HE1      TYR 116 -15.018  -8.339   0.376
  929    HE2  TYR 116           HE2      TYR 116 -14.102  -9.447  -3.639
  930    HH   TYR 116           HH       TYR 116 -16.516  -8.254  -1.533
  931    H    GLU 117           HN       GLU 117 -10.962 -11.258   1.945
  932    HA   GLU 117           HA       GLU 117 -11.614 -13.432   2.014
  933    HB2  GLU 117           HB2      GLU 117 -12.470 -12.796  -0.815
  934    HB3  GLU 117           HB1      GLU 117 -12.867 -14.295   0.011
  935    HG2  GLU 117           HG2      GLU 117 -13.664 -11.548   0.945
  936    HG3  GLU 117           HG1      GLU 117 -14.699 -12.655   0.044
  937    H    GLY 118           HN       GLY 118  -8.897 -12.845   1.338
  938    HA2  GLY 118           HA2      GLY 118  -7.148 -14.419   1.072
  939    HA3  GLY 118           HA1      GLY 118  -8.216 -15.402   0.083
  940    H    GLU 119           HN       GLU 119  -8.957 -12.843  -1.408
  941    HA   GLU 119           HA       GLU 119  -7.040 -13.210  -3.504
  942    HB2  GLU 119           HB2      GLU 119  -9.428 -12.803  -3.957
  943    HB3  GLU 119           HB1      GLU 119  -9.287 -11.202  -3.245
  944    HG2  GLU 119           HG2      GLU 119  -7.568 -10.690  -5.001
  945    HG3  GLU 119           HG1      GLU 119  -8.015 -12.212  -5.768
  946    H    THR 120           HN       THR 120  -5.283 -11.976  -3.981
  947    HA   THR 120           HA       THR 120  -4.453 -10.002  -2.074
  948    HB   THR 120           HB       THR 120  -2.490  -9.732  -3.648
  949    HG1  THR 120           HG1      THR 120  -3.850 -10.610  -5.481
  950   HG21  THR 120          HG21      THR 120  -3.152 -12.517  -2.685
  951   HG22  THR 120          HG22      THR 120  -2.422 -11.233  -1.720
  952   HG23  THR 120          HG23      THR 120  -1.541 -11.924  -3.083
  953    H    ILE 121           HN       ILE 121  -5.235  -8.000  -2.071
  954    HA   ILE 121           HA       ILE 121  -5.969  -6.781  -4.638
  955    HB   ILE 121           HB       ILE 121  -7.335  -5.207  -3.378
  956   HG12  ILE 121          HG12      ILE 121  -6.488  -6.768  -0.924
  957   HG13  ILE 121          HG11      ILE 121  -5.933  -5.147  -1.328
  958   HG21  ILE 121          HG21      ILE 121  -9.011  -6.815  -2.508
  959   HG22  ILE 121          HG22      ILE 121  -7.815  -8.100  -2.684
  960   HG23  ILE 121          HG23      ILE 121  -8.397  -7.234  -4.106
  961   HD11  ILE 121          HD11      ILE 121  -8.774  -5.937  -0.738
  962   HD12  ILE 121          HD12      ILE 121  -8.206  -4.312  -1.120
  963   HD13  ILE 121          HD13      ILE 121  -7.677  -5.106   0.362
  964    H    GLY 122           HN       GLY 122  -3.747  -6.543  -2.005
  965    HA2  GLY 122           HA2      GLY 122  -2.227  -4.579  -3.420
  966    HA3  GLY 122           HA1      GLY 122  -3.026  -3.890  -2.020
  967    H    VAL 123           HN       VAL 123  -0.312  -3.907  -2.288
  968    HA   VAL 123           HA       VAL 123   0.461  -5.662  -0.057
  969    HB   VAL 123           HB       VAL 123   2.243  -4.935  -2.395
  970   HG11  VAL 123          HG11      VAL 123   3.815  -6.538  -1.322
  971   HG12  VAL 123          HG12      VAL 123   2.730  -6.601   0.068
  972   HG13  VAL 123          HG13      VAL 123   3.517  -5.085  -0.368
  973   HG21  VAL 123          HG21      VAL 123   1.034  -7.596  -1.652
  974   HG22  VAL 123          HG22      VAL 123   2.194  -7.314  -2.950
  975   HG23  VAL 123          HG23      VAL 123   0.584  -6.600  -3.036
  976    H    GLU 124           HN       GLU 124   1.294  -4.551   1.623
  977    HA   GLU 124           HA       GLU 124   2.073  -1.771   1.091
  978    HB2  GLU 124           HB2      GLU 124   0.174  -2.136   2.668
  979    HB3  GLU 124           HB1      GLU 124   1.299  -2.957   3.740
  980    HG2  GLU 124           HG2      GLU 124   2.610  -0.943   3.973
  981    HG3  GLU 124           HG1      GLU 124   1.570  -0.106   2.823
  982    H    LEU 125           HN       LEU 125   4.163  -1.906   0.634
  983    HA   LEU 125           HA       LEU 125   6.070  -3.332   2.237
  984    HB2  LEU 125           HB2      LEU 125   6.171  -2.569  -0.266
  985    HB3  LEU 125           HB1      LEU 125   6.659  -1.025   0.388
  986    HG   LEU 125           HG       LEU 125   8.559  -2.354  -0.405
  987   HD11  LEU 125          HD11      LEU 125   9.969  -2.213   1.606
  988   HD12  LEU 125          HD12      LEU 125   8.522  -1.925   2.572
  989   HD13  LEU 125          HD13      LEU 125   9.002  -0.763   1.336
  990   HD21  LEU 125          HD21      LEU 125   7.794  -4.306   1.754
  991   HD22  LEU 125          HD22      LEU 125   9.244  -4.378   0.755
  992   HD23  LEU 125          HD23      LEU 125   7.653  -4.572   0.017
  993    HA   PRO 126           HA       PRO 126   6.042  -0.658   5.812
  994    HB2  PRO 126           HB2      PRO 126   8.980  -1.173   5.445
  995    HB3  PRO 126           HB1      PRO 126   8.031  -1.148   6.936
  996    HG2  PRO 126           HG2      PRO 126   8.646  -3.457   5.765
  997    HG3  PRO 126           HG1      PRO 126   7.058  -3.208   6.512
  998    HD2  PRO 126           HD2      PRO 126   7.780  -3.399   3.655
  999    HD3  PRO 126           HD1      PRO 126   6.221  -3.689   4.447
 1000    H    LYS 127           HN       LYS 127   5.967   1.450   5.947
 1001    HA   LYS 127           HA       LYS 127   6.573   3.070   3.739
 1002    HB2  LYS 127           HB2      LYS 127   5.901   3.916   6.559
 1003    HB3  LYS 127           HB1      LYS 127   5.814   4.936   5.130
 1004    HG2  LYS 127           HG2      LYS 127   4.169   2.457   5.600
 1005    HG3  LYS 127           HG1      LYS 127   3.614   4.116   5.821
 1006    HD2  LYS 127           HD2      LYS 127   4.022   4.557   3.438
 1007    HD3  LYS 127           HD1      LYS 127   4.547   2.885   3.227
 1008    HE2  LYS 127           HE2      LYS 127   2.340   2.096   3.891
 1009    HE3  LYS 127           HE1      LYS 127   1.811   3.757   4.149
 1010    HZ1  LYS 127           HZ1      LYS 127   2.680   2.614   1.550
 1011    HZ2  LYS 127           HZ2      LYS 127   2.143   4.196   1.804
 1012    HZ3  LYS 127           HZ3      LYS 127   1.078   2.901   2.009
 1013    H    THR 128           HN       THR 128   8.380   2.398   6.655
 1014    HA   THR 128           HA       THR 128  10.514   4.067   5.514
 1015    HB   THR 128           HB       THR 128  11.490   4.037   7.878
 1016    HG1  THR 128           HG1      THR 128   9.556   2.406   8.359
 1017   HG21  THR 128          HG21      THR 128  10.487   6.038   6.901
 1018   HG22  THR 128          HG22      THR 128  10.076   5.916   8.613
 1019   HG23  THR 128          HG23      THR 128   8.884   5.485   7.387
 1020    H    VAL 129           HN       VAL 129  11.844   2.806   4.449
 1021    HA   VAL 129           HA       VAL 129  12.427   0.132   5.528
 1022    HB   VAL 129           HB       VAL 129  11.352   0.145   3.312
 1023   HG11  VAL 129          HG11      VAL 129  13.812   1.644   2.432
 1024   HG12  VAL 129          HG12      VAL 129  12.154   2.244   2.435
 1025   HG13  VAL 129          HG13      VAL 129  12.618   0.935   1.346
 1026   HG21  VAL 129          HG21      VAL 129  14.218  -0.786   3.225
 1027   HG22  VAL 129          HG22      VAL 129  12.909  -1.352   2.185
 1028   HG23  VAL 129          HG23      VAL 129  12.865  -1.676   3.919
 1029    H    GLU 130           HN       GLU 130  14.500  -0.438   5.963
 1030    HA   GLU 130           HA       GLU 130  16.506   1.675   5.749
 1031    HB2  GLU 130           HB2      GLU 130  16.542  -0.914   7.297
 1032    HB3  GLU 130           HB1      GLU 130  17.822   0.289   7.311
 1033    HG2  GLU 130           HG2      GLU 130  16.227   1.927   8.228
 1034    HG3  GLU 130           HG1      GLU 130  15.003   0.659   8.291
 1035    H    LEU 131           HN       LEU 131  17.824   1.646   4.064
 1036    HA   LEU 131           HA       LEU 131  18.554  -0.963   2.915
 1037    HB2  LEU 131           HB2      LEU 131  18.032   1.607   1.414
 1038    HB3  LEU 131           HB1      LEU 131  18.576   0.105   0.691
 1039    HG   LEU 131           HG       LEU 131  15.904   0.590   2.013
 1040   HD11  LEU 131          HD11      LEU 131  16.114   1.618  -0.184
 1041   HD12  LEU 131          HD12      LEU 131  15.010   0.243  -0.230
 1042   HD13  LEU 131          HD13      LEU 131  16.648   0.080  -0.863
 1043   HD21  LEU 131          HD21      LEU 131  15.351  -1.684   1.226
 1044   HD22  LEU 131          HD22      LEU 131  16.616  -1.675   2.454
 1045   HD23  LEU 131          HD23      LEU 131  17.037  -1.907   0.758
 1046    H    THR 132           HN       THR 132  20.661  -1.321   2.653
 1047    HA   THR 132           HA       THR 132  22.556   0.638   3.574
 1048    HB   THR 132           HB       THR 132  23.320  -1.928   2.220
 1049    HG1  THR 132           HG1      THR 132  21.636  -2.460   3.688
 1050   HG21  THR 132          HG21      THR 132  25.086  -0.393   2.971
 1051   HG22  THR 132          HG22      THR 132  25.111  -1.900   3.886
 1052   HG23  THR 132          HG23      THR 132  24.428  -0.442   4.607
 1053    H    VAL 133           HN       VAL 133  23.873   1.920   2.354
 1054    HA   VAL 133           HA       VAL 133  23.382   1.963  -0.499
 1055    HB   VAL 133           HB       VAL 133  23.444   4.100   0.629
 1056   HG11  VAL 133          HG11      VAL 133  25.530   5.007   1.574
 1057   HG12  VAL 133          HG12      VAL 133  26.283   3.425   1.365
 1058   HG13  VAL 133          HG13      VAL 133  24.923   3.612   2.469
 1059   HG21  VAL 133          HG21      VAL 133  25.843   3.763  -1.166
 1060   HG22  VAL 133          HG22      VAL 133  25.013   5.280  -0.814
 1061   HG23  VAL 133          HG23      VAL 133  24.179   4.002  -1.699
 1062    H    THR 134           HN       THR 134  24.484   0.841  -1.866
 1063    HA   THR 134           HA       THR 134  27.341   0.324  -1.396
 1064    HB   THR 134           HB       THR 134  27.021  -1.908  -2.488
 1065    HG1  THR 134           HG1      THR 134  24.807  -1.102  -3.285
 1066   HG21  THR 134          HG21      THR 134  25.400  -1.509   0.033
 1067   HG22  THR 134          HG22      THR 134  27.148  -1.721  -0.037
 1068   HG23  THR 134          HG23      THR 134  26.081  -3.034  -0.534
 1069    H    GLU 135           HN       GLU 135  28.560   0.936  -3.081
 1070    HA   GLU 135           HA       GLU 135  29.234   1.557  -5.149
 1071    HB2  GLU 135           HB2      GLU 135  26.520   0.582  -6.029
 1072    HB3  GLU 135           HB1      GLU 135  27.689   1.291  -7.130
 1073    HG2  GLU 135           HG2      GLU 135  28.105  -1.189  -5.476
 1074    HG3  GLU 135           HG1      GLU 135  27.742  -1.139  -7.200
 1075    H    THR 136           HN       THR 136  29.240   3.561  -4.021
 1076    HA   THR 136           HA       THR 136  27.915   5.526  -5.696
 1077    HB   THR 136           HB       THR 136  26.466   5.315  -3.632
 1078    HG1  THR 136           HG1      THR 136  27.584   7.876  -3.536
 1079   HG21  THR 136          HG21      THR 136  27.297   6.377  -1.561
 1080   HG22  THR 136          HG22      THR 136  28.909   6.454  -2.275
 1081   HG23  THR 136          HG23      THR 136  28.159   4.891  -1.954
 1082    H    GLU 137           HN       GLU 137  29.113   7.562  -5.676
 1083    HA   GLU 137           HA       GLU 137  31.897   7.104  -4.861
 1084    HB2  GLU 137           HB2      GLU 137  30.862   9.194  -6.777
 1085    HB3  GLU 137           HB1      GLU 137  32.535   8.728  -6.514
 1086    HG2  GLU 137           HG2      GLU 137  30.366   7.141  -7.850
 1087    HG3  GLU 137           HG1      GLU 137  31.853   7.762  -8.558
 1088    HA   PRO 138           HA       PRO 138  30.879  10.382  -1.911
 1089    HB2  PRO 138           HB2      PRO 138  32.190   9.355   0.177
 1090    HB3  PRO 138           HB1      PRO 138  30.638   8.692  -0.346
 1091    HG2  PRO 138           HG2      PRO 138  33.372   7.602  -0.689
 1092    HG3  PRO 138           HG1      PRO 138  31.832   6.745  -0.529
 1093    HD2  PRO 138           HD2      PRO 138  33.248   7.320  -2.925
 1094    HD3  PRO 138           HD1      PRO 138  31.628   6.612  -2.779
 1095    H    GLY 139           HN       GLY 139  32.461  11.576  -0.318
 1096    HA2  GLY 139           HA2      GLY 139  34.617  12.430   0.117
 1097    HA3  GLY 139           HA1      GLY 139  35.186  11.686  -1.370
 1098    H    ILE 140           HN       ILE 140  32.251  13.337  -1.733
 1099    HA   ILE 140           HA       ILE 140  33.668  15.599  -2.969
 1100    HB   ILE 140           HB       ILE 140  30.888  14.525  -3.503
 1101   HG12  ILE 140          HG12      ILE 140  31.896  14.406  -5.882
 1102   HG13  ILE 140          HG11      ILE 140  33.454  14.545  -5.078
 1103   HG21  ILE 140          HG21      ILE 140  32.225  16.925  -4.745
 1104   HG22  ILE 140          HG22      ILE 140  30.908  16.978  -3.574
 1105   HG23  ILE 140          HG23      ILE 140  30.641  16.274  -5.169
 1106   HD11  ILE 140          HD11      ILE 140  32.993  12.507  -3.827
 1107   HD12  ILE 140          HD12      ILE 140  32.899  12.235  -5.567
 1108   HD13  ILE 140          HD13      ILE 140  31.421  12.378  -4.616
 1109    H    LYS 141           HN       LYS 141  33.506  17.537  -2.033
 1110    HA   LYS 141           HA       LYS 141  31.633  17.847   0.179
 1111    HB2  LYS 141           HB2      LYS 141  34.042  18.456   0.460
 1112    HB3  LYS 141           HB1      LYS 141  33.817  19.729  -0.730
 1113    HG2  LYS 141           HG2      LYS 141  33.740  20.604   1.540
 1114    HG3  LYS 141           HG1      LYS 141  32.194  20.822   0.717
 1115    HD2  LYS 141           HD2      LYS 141  31.316  18.836   1.860
 1116    HD3  LYS 141           HD1      LYS 141  32.860  18.634   2.687
 1117    HE2  LYS 141           HE2      LYS 141  31.093  21.064   2.912
 1118    HE3  LYS 141           HE1      LYS 141  31.118  19.737   4.070
 1119    HZ1  LYS 141           HZ1      LYS 141  33.379  21.545   3.413
 1120    HZ2  LYS 141           HZ2      LYS 141  33.482  20.214   4.449
 1121    HZ3  LYS 141           HZ3      LYS 141  32.491  21.522   4.852
 1122    H    GLY 142           HN       GLY 142  32.371  19.168  -2.988
 1123    HA2  GLY 142           HA2      GLY 142  30.723  19.959  -4.464
 1124    HA3  GLY 142           HA1      GLY 142  29.634  20.172  -3.103
 1125    H    ASP 143           HN       ASP 143  32.164  21.500  -1.848
 1126    HA   ASP 143           HA       ASP 143  33.040  23.523  -1.483
 1127    HB2  ASP 143           HB2      ASP 143  33.940  24.650  -3.226
 1128    HB3  ASP 143           HB1      ASP 143  33.451  23.209  -4.099
 1129    H    THR 144           HN       THR 144  29.926  23.739  -3.150
 1130    HA   THR 144           HA       THR 144  29.338  26.223  -1.741
 1131    HB   THR 144           HB       THR 144  27.157  26.059  -3.043
 1132    HG1  THR 144           HG1      THR 144  28.412  24.317  -4.822
 1133   HG21  THR 144          HG21      THR 144  28.198  26.779  -5.148
 1134   HG22  THR 144          HG22      THR 144  29.750  26.159  -4.587
 1135   HG23  THR 144          HG23      THR 144  28.986  27.510  -3.751
 1136    H    ALA 145           HN       ALA 145  27.696  23.102  -2.240
 1137    HA   ALA 145           HA       ALA 145  26.806  23.181   0.548
 1138    HB1  ALA 145           HB1      ALA 145  24.989  24.142  -0.780
 1139    HB2  ALA 145           HB2      ALA 145  24.527  22.590  -0.082
 1140    HB3  ALA 145           HB3      ALA 145  24.961  22.695  -1.787
 1141    H    THR 146           HN       THR 146  27.476  21.362   1.443
 1142    HA   THR 146           HA       THR 146  28.090  19.040  -0.138
 1143    HB   THR 146           HB       THR 146  29.458  19.702   1.829
 1144    HG1  THR 146           HG1      THR 146  28.408  17.198   1.361
 1145   HG21  THR 146          HG21      THR 146  27.666  20.435   3.319
 1146   HG22  THR 146          HG22      THR 146  28.653  19.190   4.085
 1147   HG23  THR 146          HG23      THR 146  27.069  18.780   3.428
 1148    H    GLY 147           HN       GLY 147  25.339  20.257   1.413
 1149    HA2  GLY 147           HA2      GLY 147  24.054  17.778   2.037
 1150    HA3  GLY 147           HA1      GLY 147  23.285  19.357   1.939
 1151    H    ALA 148           HN       ALA 148  24.775  19.272  -0.874
 1152    HA   ALA 148           HA       ALA 148  22.537  18.627  -2.453
 1153    HB1  ALA 148           HB1      ALA 148  24.019  18.832  -4.342
 1154    HB2  ALA 148           HB2      ALA 148  25.430  18.670  -3.299
 1155    HB3  ALA 148           HB3      ALA 148  24.396  20.093  -3.172
 1156    H    THR 149           HN       THR 149  22.541  16.826  -4.137
 1157    HA   THR 149           HA       THR 149  23.337  14.393  -2.696
 1158    HB   THR 149           HB       THR 149  21.353  13.320  -3.785
 1159    HG1  THR 149           HG1      THR 149  20.849  14.713  -5.444
 1160   HG21  THR 149          HG21      THR 149  20.783  15.674  -1.976
 1161   HG22  THR 149          HG22      THR 149  21.307  14.074  -1.449
 1162   HG23  THR 149          HG23      THR 149  19.731  14.278  -2.217
 1163    H    LYS 150           HN       LYS 150  23.780  12.517  -3.867
 1164    HA   LYS 150           HA       LYS 150  24.475  12.847  -6.700
 1165    HB2  LYS 150           HB2      LYS 150  26.477  13.018  -5.169
 1166    HB3  LYS 150           HB1      LYS 150  26.143  11.376  -4.648
 1167    HG2  LYS 150           HG2      LYS 150  26.578  10.530  -6.847
 1168    HG3  LYS 150           HG1      LYS 150  26.727  12.167  -7.490
 1169    HD2  LYS 150           HD2      LYS 150  28.668  12.546  -6.032
 1170    HD3  LYS 150           HD1      LYS 150  28.527  10.895  -5.429
 1171    HE2  LYS 150           HE2      LYS 150  30.257  11.071  -7.138
 1172    HE3  LYS 150           HE1      LYS 150  28.937  10.033  -7.672
 1173    HZ1  LYS 150           HZ1      LYS 150  29.665  11.535  -9.415
 1174    HZ2  LYS 150           HZ2      LYS 150  29.311  12.872  -8.444
 1175    HZ3  LYS 150           HZ3      LYS 150  28.066  11.862  -8.975
 1176    H    SER 151           HN       SER 151  24.389  10.841  -7.884
 1177    HA   SER 151           HA       SER 151  22.211   9.209  -7.051
 1178    HB2  SER 151           HB2      SER 151  22.744   7.987  -9.214
 1179    HB3  SER 151           HB1      SER 151  22.403   9.711  -9.371
 1180    HG   SER 151           HG       SER 151  24.908   8.393  -9.458
 1181    H    ALA 152           HN       ALA 152  22.310   7.554  -5.745
 1182    HA   ALA 152           HA       ALA 152  24.802   5.977  -5.566
 1183    HB1  ALA 152           HB1      ALA 152  24.082   5.516  -3.216
 1184    HB2  ALA 152           HB2      ALA 152  22.792   6.698  -3.435
 1185    HB3  ALA 152           HB3      ALA 152  24.481   7.205  -3.531
 1186    H    THR 153           HN       THR 153  24.535   3.720  -5.071
 1187    HA   THR 153           HA       THR 153  21.903   2.636  -5.827
 1188    HB   THR 153           HB       THR 153  24.548   1.162  -5.823
 1189    HG1  THR 153           HG1      THR 153  24.698   1.633  -7.991
 1190   HG21  THR 153          HG21      THR 153  22.574  -0.275  -5.710
 1191   HG22  THR 153          HG22      THR 153  23.361  -0.420  -7.281
 1192   HG23  THR 153          HG23      THR 153  21.889   0.537  -7.117
 1193    H    VAL 154           HN       VAL 154  20.826   1.337  -4.369
 1194    HA   VAL 154           HA       VAL 154  22.197   0.845  -1.823
 1195    HB   VAL 154           HB       VAL 154  19.861   0.333  -0.947
 1196   HG11  VAL 154          HG11      VAL 154  19.305   2.745  -0.730
 1197   HG12  VAL 154          HG12      VAL 154  20.565   3.097  -1.916
 1198   HG13  VAL 154          HG13      VAL 154  20.990   2.370  -0.366
 1199   HG21  VAL 154          HG21      VAL 154  18.001   1.345  -2.193
 1200   HG22  VAL 154          HG22      VAL 154  18.739   0.012  -3.080
 1201   HG23  VAL 154          HG23      VAL 154  19.093   1.678  -3.538
 1202    H    GLU 155           HN       GLU 155  21.122  -1.192  -0.684
 1203    HA   GLU 155           HA       GLU 155  22.163  -3.442  -1.890
 1204    HB2  GLU 155           HB2      GLU 155  20.861  -4.723  -0.186
 1205    HB3  GLU 155           HB1      GLU 155  21.797  -3.387   0.469
 1206    HG2  GLU 155           HG2      GLU 155  19.747  -2.012   0.482
 1207    HG3  GLU 155           HG1      GLU 155  18.834  -3.424  -0.049
 1208    H    THR 156           HN       THR 156  18.964  -2.088  -2.271
 1209    HA   THR 156           HA       THR 156  17.791  -4.452  -3.372
 1210    HB   THR 156           HB       THR 156  15.890  -3.007  -3.963
 1211    HG1  THR 156           HG1      THR 156  15.990  -0.810  -3.651
 1212   HG21  THR 156          HG21      THR 156  16.963  -2.448  -1.201
 1213   HG22  THR 156          HG22      THR 156  16.078  -3.895  -1.681
 1214   HG23  THR 156          HG23      THR 156  15.278  -2.323  -1.708
 1215    H    GLY 157           HN       GLY 157  20.002  -2.286  -4.610
 1216    HA2  GLY 157           HA2      GLY 157  20.855  -2.174  -6.779
 1217    HA3  GLY 157           HA1      GLY 157  19.469  -3.099  -7.345
 1218    H    TYR 158           HN       TYR 158  18.328  -0.717  -5.400
 1219    HA   TYR 158           HA       TYR 158  17.331   0.804  -7.626
 1220    HB2  TYR 158           HB2      TYR 158  15.904   0.266  -5.684
 1221    HB3  TYR 158           HB1      TYR 158  16.963   1.223  -4.657
 1222    HD1  TYR 158           HD1      TYR 158  14.791   1.512  -7.666
 1223    HD2  TYR 158           HD2      TYR 158  16.501   3.473  -4.301
 1224    HE1  TYR 158           HE1      TYR 158  13.444   3.508  -8.152
 1225    HE2  TYR 158           HE2      TYR 158  15.157   5.476  -4.780
 1226    HH   TYR 158           HH       TYR 158  14.005   6.524  -6.626
 1227    H    THR 159           HN       THR 159  17.788   2.903  -8.136
 1228    HA   THR 159           HA       THR 159  20.212   4.027  -6.942
 1229    HB   THR 159           HB       THR 159  18.816   4.834  -9.500
 1230    HG1  THR 159           HG1      THR 159  20.199   2.653  -8.999
 1231   HG21  THR 159          HG21      THR 159  20.219   6.599  -8.536
 1232   HG22  THR 159          HG22      THR 159  20.938   5.957 -10.014
 1233   HG23  THR 159          HG23      THR 159  21.575   5.475  -8.442
 1234    H    LEU 160           HN       LEU 160  19.993   5.624  -5.516
 1235    HA   LEU 160           HA       LEU 160  17.761   7.484  -5.797
 1236    HB2  LEU 160           HB2      LEU 160  17.039   7.324  -3.569
 1237    HB3  LEU 160           HB1      LEU 160  17.181   5.681  -4.133
 1238    HG   LEU 160           HG       LEU 160  17.963   5.555  -1.973
 1239   HD11  LEU 160          HD11      LEU 160  19.577   4.530  -3.468
 1240   HD12  LEU 160          HD12      LEU 160  20.341   5.162  -2.009
 1241   HD13  LEU 160          HD13      LEU 160  20.487   6.042  -3.529
 1242   HD21  LEU 160          HD21      LEU 160  17.957   7.914  -1.466
 1243   HD22  LEU 160          HD22      LEU 160  19.456   8.136  -2.369
 1244   HD23  LEU 160          HD23      LEU 160  19.448   7.164  -0.896
 1245    H    ASN 161           HN       ASN 161  18.095   9.456  -4.432
 1246    HA   ASN 161           HA       ASN 161  20.856  10.258  -4.922
 1247    HB2  ASN 161           HB2      ASN 161  18.348  11.869  -4.417
 1248    HB3  ASN 161           HB1      ASN 161  19.937  12.573  -4.689
 1249   HD21  ASN 161          HD21      ASN 161  17.459  12.792  -6.235
 1250   HD22  ASN 161          HD22      ASN 161  17.860  12.270  -7.835
 1251    H    VAL 162           HN       VAL 162  22.231  10.134  -3.292
 1252    HA   VAL 162           HA       VAL 162  21.295  10.734  -0.560
 1253    HB   VAL 162           HB       VAL 162  23.353   9.601   0.222
 1254   HG11  VAL 162          HG11      VAL 162  21.290   8.331   0.073
 1255   HG12  VAL 162          HG12      VAL 162  22.678   7.312  -0.304
 1256   HG13  VAL 162          HG13      VAL 162  21.650   7.917  -1.603
 1257   HG21  VAL 162          HG21      VAL 162  24.657   8.238  -1.373
 1258   HG22  VAL 162          HG22      VAL 162  24.797   9.971  -1.671
 1259   HG23  VAL 162          HG23      VAL 162  23.761   8.981  -2.698
 1260    HA   PRO 163           HA       PRO 163  23.693  14.512  -0.388
 1261    HB2  PRO 163           HB2      PRO 163  24.532  13.473   2.280
 1262    HB3  PRO 163           HB1      PRO 163  23.858  15.050   1.849
 1263    HG2  PRO 163           HG2      PRO 163  22.359  13.218   3.067
 1264    HG3  PRO 163           HG1      PRO 163  21.684  14.256   1.797
 1265    HD2  PRO 163           HD2      PRO 163  22.483  11.385   1.676
 1266    HD3  PRO 163           HD1      PRO 163  21.150  12.223   0.857
 1267    H    LEU 164           HN       LEU 164  25.844  15.181  -0.521
 1268    HA   LEU 164           HA       LEU 164  27.495  13.344  -1.849
 1269    HB2  LEU 164           HB2      LEU 164  28.283  16.023  -0.717
 1270    HB3  LEU 164           HB1      LEU 164  29.086  15.159  -2.012
 1271    HG   LEU 164           HG       LEU 164  26.316  16.350  -2.125
 1272   HD11  LEU 164          HD11      LEU 164  28.869  17.160  -3.500
 1273   HD12  LEU 164          HD12      LEU 164  28.121  17.999  -2.143
 1274   HD13  LEU 164          HD13      LEU 164  27.290  17.919  -3.696
 1275   HD21  LEU 164          HD21      LEU 164  26.441  15.779  -4.530
 1276   HD22  LEU 164          HD22      LEU 164  26.384  14.365  -3.478
 1277   HD23  LEU 164          HD23      LEU 164  27.914  14.862  -4.204
 1278    H    PHE 165           HN       PHE 165  27.183  13.789   1.487
 1279    HA   PHE 165           HA       PHE 165  29.953  12.979   1.996
 1280    HB2  PHE 165           HB2      PHE 165  29.406  13.614   4.395
 1281    HB3  PHE 165           HB1      PHE 165  29.458  14.932   3.231
 1282    HD1  PHE 165           HD1      PHE 165  27.028  12.584   4.814
 1283    HD2  PHE 165           HD2      PHE 165  27.730  16.447   3.179
 1284    HE1  PHE 165           HE1      PHE 165  24.775  13.278   5.503
 1285    HE2  PHE 165           HE2      PHE 165  25.475  17.150   3.863
 1286    HZ   PHE 165           HZ       PHE 165  23.993  15.566   5.026
 1287    H    VAL 166           HN       VAL 166  27.302  11.366   1.354
 1288    HA   VAL 166           HA       VAL 166  27.179   9.586   3.624
 1289    HB   VAL 166           HB       VAL 166  25.960   9.366   0.862
 1290   HG11  VAL 166          HG11      VAL 166  26.310   7.131   1.775
 1291   HG12  VAL 166          HG12      VAL 166  24.595   7.545   1.785
 1292   HG13  VAL 166          HG13      VAL 166  25.529   7.613   3.281
 1293   HG21  VAL 166          HG21      VAL 166  25.009  11.155   2.158
 1294   HG22  VAL 166          HG22      VAL 166  24.829  10.101   3.558
 1295   HG23  VAL 166          HG23      VAL 166  23.860   9.818   2.115
 1296    H    ASN 167           HN       ASN 167  27.999   7.496   3.764
 1297    HA   ASN 167           HA       ASN 167  30.177   6.916   1.872
 1298    HB2  ASN 167           HB2      ASN 167  30.952   7.548   4.134
 1299    HB3  ASN 167           HB1      ASN 167  29.996   6.241   4.817
 1300   HD21  ASN 167          HD21      ASN 167  32.825   7.075   2.997
 1301   HD22  ASN 167          HD22      ASN 167  33.595   5.527   3.096
 1302    H    GLU 168           HN       GLU 168  30.478   4.786   1.194
 1303    HA   GLU 168           HA       GLU 168  28.171   3.199   0.927
 1304    HB2  GLU 168           HB2      GLU 168  31.074   2.469   0.516
 1305    HB3  GLU 168           HB1      GLU 168  29.709   1.499  -0.016
 1306    HG2  GLU 168           HG2      GLU 168  29.011   3.192  -1.543
 1307    HG3  GLU 168           HG1      GLU 168  30.211   4.322  -0.918
 1308    H    GLY 169           HN       GLY 169  27.313   1.678   2.174
 1309    HA2  GLY 169           HA2      GLY 169  27.597  -0.201   3.686
 1310    HA3  GLY 169           HA1      GLY 169  28.932   0.672   4.422
 1311    H    ASP 170           HN       ASP 170  27.127   3.169   4.131
 1312    HA   ASP 170           HA       ASP 170  25.967   2.983   6.741
 1313    HB2  ASP 170           HB2      ASP 170  26.089   5.126   4.651
 1314    HB3  ASP 170           HB1      ASP 170  24.960   5.284   5.990
 1315    H    VAL 171           HN       VAL 171  23.726   3.347   7.245
 1316    HA   VAL 171           HA       VAL 171  21.993   2.001   5.291
 1317    HB   VAL 171           HB       VAL 171  21.678   2.240   8.291
 1318   HG11  VAL 171          HG11      VAL 171  19.835   0.642   8.021
 1319   HG12  VAL 171          HG12      VAL 171  20.016   0.738   6.269
 1320   HG13  VAL 171          HG13      VAL 171  19.514   2.161   7.183
 1321   HG21  VAL 171          HG21      VAL 171  23.496   0.749   7.656
 1322   HG22  VAL 171          HG22      VAL 171  22.421  -0.118   6.558
 1323   HG23  VAL 171          HG23      VAL 171  22.135  -0.171   8.297
 1324    H    LEU 172           HN       LEU 172  20.640   3.236   4.234
 1325    HA   LEU 172           HA       LEU 172  19.844   5.821   5.369
 1326    HB2  LEU 172           HB2      LEU 172  19.564   4.764   2.551
 1327    HB3  LEU 172           HB1      LEU 172  19.054   6.351   3.083
 1328    HG   LEU 172           HG       LEU 172  21.076   6.704   1.962
 1329   HD11  LEU 172          HD11      LEU 172  22.633   7.475   3.663
 1330   HD12  LEU 172          HD12      LEU 172  21.776   6.536   4.884
 1331   HD13  LEU 172          HD13      LEU 172  20.971   7.886   4.085
 1332   HD21  LEU 172          HD21      LEU 172  21.799   4.386   1.822
 1333   HD22  LEU 172          HD22      LEU 172  22.276   4.426   3.519
 1334   HD23  LEU 172          HD23      LEU 172  23.115   5.438   2.344
 1335    H    ILE 173           HN       ILE 173  17.754   6.306   5.828
 1336    HA   ILE 173           HA       ILE 173  15.824   4.117   5.616
 1337    HB   ILE 173           HB       ILE 173  15.555   6.733   7.111
 1338   HG12  ILE 173          HG12      ILE 173  16.254   3.981   8.168
 1339   HG13  ILE 173          HG11      ILE 173  17.389   5.315   7.995
 1340   HG21  ILE 173          HG21      ILE 173  13.921   4.198   7.209
 1341   HG22  ILE 173          HG22      ILE 173  13.416   5.741   6.523
 1342   HG23  ILE 173          HG23      ILE 173  13.699   5.599   8.257
 1343   HD11  ILE 173          HD11      ILE 173  16.653   5.075  10.292
 1344   HD12  ILE 173          HD12      ILE 173  14.975   5.273   9.789
 1345   HD13  ILE 173          HD13      ILE 173  16.111   6.612   9.619
 1346    H    ILE 174           HN       ILE 174  14.528   4.129   3.865
 1347    HA   ILE 174           HA       ILE 174  13.954   6.740   2.615
 1348    HB   ILE 174           HB       ILE 174  13.756   4.022   1.302
 1349   HG12  ILE 174          HG12      ILE 174  16.094   4.523   1.900
 1350   HG13  ILE 174          HG11      ILE 174  15.852   4.567   0.157
 1351   HG21  ILE 174          HG21      ILE 174  13.715   6.810   0.144
 1352   HG22  ILE 174          HG22      ILE 174  12.334   5.720   0.290
 1353   HG23  ILE 174          HG23      ILE 174  13.671   5.309  -0.783
 1354   HD11  ILE 174          HD11      ILE 174  17.290   6.374   0.883
 1355   HD12  ILE 174          HD12      ILE 174  16.040   6.953   1.985
 1356   HD13  ILE 174          HD13      ILE 174  15.776   7.012   0.241
 1357    H    ASN 175           HN       ASN 175  11.866   7.328   2.190
 1358    HA   ASN 175           HA       ASN 175   9.797   5.862   3.598
 1359    HB2  ASN 175           HB2      ASN 175   9.852   8.292   3.846
 1360    HB3  ASN 175           HB1      ASN 175   9.704   8.492   2.103
 1361   HD21  ASN 175          HD21      ASN 175   8.054   7.641   5.042
 1362   HD22  ASN 175          HD22      ASN 175   6.450   7.721   4.396
 1363    H    THR 176           HN       THR 176   9.142   4.115   2.514
 1364    HA   THR 176           HA       THR 176   8.749   3.999  -0.306
 1365    HB   THR 176           HB       THR 176   7.351   2.182   1.635
 1366    HG1  THR 176           HG1      THR 176   9.196   1.421   2.344
 1367   HG21  THR 176          HG21      THR 176   7.897   0.495  -0.076
 1368   HG22  THR 176          HG22      THR 176   8.683   1.745  -1.039
 1369   HG23  THR 176          HG23      THR 176   6.948   1.827  -0.736
 1370    H    GLY 177           HN       GLY 177   7.205   5.090  -1.329
 1371    HA2  GLY 177           HA2      GLY 177   4.604   4.935  -1.397
 1372    HA3  GLY 177           HA1      GLY 177   4.764   5.828   0.112
 1373    H    ASP 178           HN       ASP 178   6.767   7.552  -0.376
 1374    HA   ASP 178           HA       ASP 178   5.899   9.043  -2.766
 1375    HB2  ASP 178           HB2      ASP 178   6.798  10.115  -0.091
 1376    HB3  ASP 178           HB1      ASP 178   6.681  11.105  -1.539
 1377    H    GLY 179           HN       GLY 179   8.491   7.667  -1.002
 1378    HA2  GLY 179           HA2      GLY 179  10.602   7.170  -1.872
 1379    HA3  GLY 179           HA1      GLY 179  10.325   8.335  -3.157
 1380    H    SER 180           HN       SER 180   9.607   9.398  -0.008
 1381    HA   SER 180           HA       SER 180  11.429  11.533  -0.120
 1382    HB2  SER 180           HB2      SER 180  10.103  10.491   2.385
 1383    HB3  SER 180           HB1      SER 180  10.560  12.150   2.005
 1384    HG   SER 180           HG       SER 180   8.998  11.920   0.201
 1385    H    TYR 181           HN       TYR 181  13.451  11.796   0.750
 1386    HA   TYR 181           HA       TYR 181  14.764   9.378   1.676
 1387    HB2  TYR 181           HB2      TYR 181  15.964  10.583  -0.010
 1388    HB3  TYR 181           HB1      TYR 181  15.803  12.096   0.869
 1389    HD1  TYR 181           HD1      TYR 181  17.504   8.810   0.867
 1390    HD2  TYR 181           HD2      TYR 181  17.373  12.717   2.542
 1391    HE1  TYR 181           HE1      TYR 181  19.688   8.423   1.930
 1392    HE2  TYR 181           HE2      TYR 181  19.553  12.341   3.610
 1393    HH   TYR 181           HH       TYR 181  21.549   9.671   2.827
 1394    H    ILE 182           HN       ILE 182  14.754   8.933   3.752
 1395    HA   ILE 182           HA       ILE 182  14.994  11.101   5.713
 1396    HB   ILE 182           HB       ILE 182  14.522   8.126   6.118
 1397   HG12  ILE 182          HG12      ILE 182  12.365   9.091   7.195
 1398   HG13  ILE 182          HG11      ILE 182  12.739  10.543   6.276
 1399   HG21  ILE 182          HG21      ILE 182  14.674  10.302   8.199
 1400   HG22  ILE 182          HG22      ILE 182  15.861   9.022   7.945
 1401   HG23  ILE 182          HG23      ILE 182  14.232   8.619   8.490
 1402   HD11  ILE 182          HD11      ILE 182  12.261   7.801   5.141
 1403   HD12  ILE 182          HD12      ILE 182  12.655   9.246   4.209
 1404   HD13  ILE 182          HD13      ILE 182  11.140   9.161   5.108
 1405    H    SER 183           HN       SER 183  16.756  10.992   7.256
 1406    HA   SER 183           HA       SER 183  19.189  10.464   5.847
 1407    HB2  SER 183           HB2      SER 183  20.202  11.441   7.989
 1408    HB3  SER 183           HB1      SER 183  19.151  12.496   7.045
 1409    HG   SER 183           HG       SER 183  18.784  11.407   9.563
 1410    H    ARG 184           HN       ARG 184  21.071   9.575   7.270
 1411    HA   ARG 184           HA       ARG 184  20.884   6.857   7.338
 1412    HB2  ARG 184           HB2      ARG 184  22.639   8.343   9.272
 1413    HB3  ARG 184           HB1      ARG 184  22.946   6.798   8.498
 1414    HG2  ARG 184           HG2      ARG 184  23.118   7.984   6.325
 1415    HG3  ARG 184           HG1      ARG 184  22.965   9.511   7.201
 1416    HD2  ARG 184           HD2      ARG 184  24.914   8.531   8.643
 1417    HD3  ARG 184           HD1      ARG 184  25.189   7.521   7.226
 1418    HE   ARG 184           HE       ARG 184  24.991  10.365   6.716
 1419   HH11  ARG 184          HH11      ARG 184  27.079   7.608   7.300
 1420   HH12  ARG 184          HH12      ARG 184  28.512   8.431   6.764
 1421   HH21  ARG 184          HH21      ARG 184  26.882  11.447   6.043
 1422   HH22  ARG 184          HH22      ARG 184  28.403  10.616   6.043
 1423    H    GLY 185           HN       GLY 185  20.494   5.269   8.826
 1424    HA2  GLY 185           HA2      GLY 185  18.669   5.865  10.936
 1425    HA3  GLY 185           HA1      GLY 185  19.377   4.293  10.587
  Start of MODEL    6
    1    H1   MET   1           HT1      MET   1 -26.847  -6.983   5.126
    2    H2   MET   1           HT2      MET   1 -25.173  -7.175   5.241
    3    H3   MET   1           HT3      MET   1 -26.033  -7.973   4.023
    4    HA   MET   1           HA       MET   1 -24.831  -6.056   3.179
    5    HB2  MET   1           HB2      MET   1 -27.842  -6.006   3.130
    6    HB3  MET   1           HB1      MET   1 -26.881  -4.869   2.195
    7    HG2  MET   1           HG2      MET   1 -27.533  -6.688   0.788
    8    HG3  MET   1           HG1      MET   1 -25.795  -6.770   1.062
    9    HE1  MET   1           HE1      MET   1 -27.446  -9.197  -0.136
   10    HE2  MET   1           HE2      MET   1 -26.752 -10.538   0.773
   11    HE3  MET   1           HE3      MET   1 -25.712  -9.246   0.178
   12    H    ILE   2           HN       ILE   2 -24.408  -3.888   3.202
   13    HA   ILE   2           HA       ILE   2 -24.614  -2.652   5.776
   14    HB   ILE   2           HB       ILE   2 -23.434  -1.701   3.171
   15   HG12  ILE   2          HG12      ILE   2 -22.125  -2.656   5.723
   16   HG13  ILE   2          HG11      ILE   2 -22.317  -3.621   4.263
   17   HG21  ILE   2          HG21      ILE   2 -24.093   0.242   4.440
   18   HG22  ILE   2          HG22      ILE   2 -22.339   0.073   4.487
   19   HG23  ILE   2          HG23      ILE   2 -23.309  -0.398   5.882
   20   HD11  ILE   2          HD11      ILE   2 -20.737  -1.068   4.458
   21   HD12  ILE   2          HD12      ILE   2 -20.871  -2.115   3.047
   22   HD13  ILE   2          HD13      ILE   2 -20.062  -2.696   4.502
   23    H    SER   3           HN       SER   3 -25.946  -1.100   6.431
   24    HA   SER   3           HA       SER   3 -27.959  -0.074   4.575
   25    HB2  SER   3           HB2      SER   3 -27.748   0.339   7.570
   26    HB3  SER   3           HB1      SER   3 -29.156   0.643   6.553
   27    HG   SER   3           HG       SER   3 -28.096  -1.781   7.469
   28    H    VAL   4           HN       VAL   4 -28.207   2.180   4.224
   29    HA   VAL   4           HA       VAL   4 -25.698   3.491   4.010
   30    HB   VAL   4           HB       VAL   4 -26.838   5.285   2.927
   31   HG11  VAL   4          HG11      VAL   4 -28.085   4.099   1.193
   32   HG12  VAL   4          HG12      VAL   4 -28.177   2.677   2.232
   33   HG13  VAL   4          HG13      VAL   4 -26.613   3.233   1.637
   34   HG21  VAL   4          HG21      VAL   4 -28.667   5.456   4.622
   35   HG22  VAL   4          HG22      VAL   4 -29.461   4.104   3.813
   36   HG23  VAL   4          HG23      VAL   4 -29.196   5.620   2.950
   37    H    ASN   5           HN       ASN   5 -27.623   3.211   6.661
   38    HA   ASN   5           HA       ASN   5 -27.191   5.902   7.676
   39    HB2  ASN   5           HB2      ASN   5 -28.484   3.485   8.956
   40    HB3  ASN   5           HB1      ASN   5 -28.374   5.073   9.704
   41   HD21  ASN   5          HD21      ASN   5 -30.716   3.521   9.045
   42   HD22  ASN   5          HD22      ASN   5 -31.662   4.492   7.973
   43    H    ASP   6           HN       ASP   6 -25.337   3.199   7.366
   44    HA   ASP   6           HA       ASP   6 -23.753   3.961   9.710
   45    HB2  ASP   6           HB2      ASP   6 -25.072   1.876  10.184
   46    HB3  ASP   6           HB1      ASP   6 -24.168   1.082   8.895
   47    H    PHE   7           HN       PHE   7 -22.404   5.098   8.347
   48    HA   PHE   7           HA       PHE   7 -20.515   3.384   6.882
   49    HB2  PHE   7           HB2      PHE   7 -21.351   6.243   6.374
   50    HB3  PHE   7           HB1      PHE   7 -19.845   5.595   5.733
   51    HD1  PHE   7           HD1      PHE   7 -23.403   5.838   5.302
   52    HD2  PHE   7           HD2      PHE   7 -19.948   3.628   4.170
   53    HE1  PHE   7           HE1      PHE   7 -24.613   4.935   3.367
   54    HE2  PHE   7           HE2      PHE   7 -21.156   2.720   2.232
   55    HZ   PHE   7           HZ       PHE   7 -23.496   3.372   1.832
   56    H    LYS   8           HN       LYS   8 -18.254   3.963   7.161
   57    HA   LYS   8           HA       LYS   8 -17.809   5.313   9.744
   58    HB2  LYS   8           HB2      LYS   8 -16.174   3.023   8.642
   59    HB3  LYS   8           HB1      LYS   8 -16.068   3.730  10.244
   60    HG2  LYS   8           HG2      LYS   8 -18.413   2.183   9.166
   61    HG3  LYS   8           HG1      LYS   8 -17.191   1.567  10.279
   62    HD2  LYS   8           HD2      LYS   8 -17.874   3.176  11.963
   63    HD3  LYS   8           HD1      LYS   8 -19.038   3.888  10.842
   64    HE2  LYS   8           HE2      LYS   8 -20.235   1.749  10.748
   65    HE3  LYS   8           HE1      LYS   8 -19.085   1.060  11.889
   66    HZ1  LYS   8           HZ1      LYS   8 -20.876   3.359  12.448
   67    HZ2  LYS   8           HZ2      LYS   8 -19.816   2.633  13.546
   68    HZ3  LYS   8           HZ3      LYS   8 -21.144   1.769  12.953
   69    H    THR   9           HN       THR   9 -15.450   5.991   9.998
   70    HA   THR   9           HA       THR   9 -14.624   7.668   7.883
   71    HB   THR   9           HB       THR   9 -12.481   7.844   9.223
   72    HG1  THR   9           HG1      THR   9 -12.820   6.895  11.434
   73   HG21  THR   9          HG21      THR   9 -14.373   9.378   9.546
   74   HG22  THR   9          HG22      THR   9 -13.532   9.061  11.062
   75   HG23  THR   9          HG23      THR   9 -15.067   8.266  10.725
   76    H    GLY  10           HN       GLY  10 -14.190   4.374   8.537
   77    HA2  GLY  10           HA2      GLY  10 -13.059   4.101   5.891
   78    HA3  GLY  10           HA1      GLY  10 -12.128   3.371   7.197
   79    H    LEU  11           HN       LEU  11 -14.511   2.836   4.974
   80    HA   LEU  11           HA       LEU  11 -15.186   0.287   6.188
   81    HB2  LEU  11           HB2      LEU  11 -16.938   1.788   7.002
   82    HB3  LEU  11           HB1      LEU  11 -17.272   2.314   5.366
   83    HG   LEU  11           HG       LEU  11 -18.028   0.018   4.813
   84   HD11  LEU  11          HD11      LEU  11 -17.658  -0.471   7.766
   85   HD12  LEU  11          HD12      LEU  11 -16.730  -1.214   6.463
   86   HD13  LEU  11          HD13      LEU  11 -18.450  -1.563   6.629
   87   HD21  LEU  11          HD21      LEU  11 -19.402   1.319   7.161
   88   HD22  LEU  11          HD22      LEU  11 -20.129   0.135   6.078
   89   HD23  LEU  11          HD23      LEU  11 -19.643   1.713   5.459
   90    H    THR  12           HN       THR  12 -15.387  -1.296   4.649
   91    HA   THR  12           HA       THR  12 -14.773  -0.372   1.946
   92    HB   THR  12           HB       THR  12 -14.511  -3.223   2.825
   93    HG1  THR  12           HG1      THR  12 -13.384  -1.295   4.129
   94   HG21  THR  12          HG21      THR  12 -12.728  -3.237   1.174
   95   HG22  THR  12          HG22      THR  12 -12.912  -1.502   0.926
   96   HG23  THR  12          HG23      THR  12 -14.200  -2.601   0.442
   97    H    ILE  13           HN       ILE  13 -16.177  -0.475   0.387
   98    HA   ILE  13           HA       ILE  13 -18.513  -2.253   0.627
   99    HB   ILE  13           HB       ILE  13 -18.284   0.565  -0.399
  100   HG12  ILE  13          HG12      ILE  13 -20.503   0.714   0.879
  101   HG13  ILE  13          HG11      ILE  13 -20.096  -0.870   1.529
  102   HG21  ILE  13          HG21      ILE  13 -20.500  -1.338  -1.119
  103   HG22  ILE  13          HG22      ILE  13 -19.310  -0.650  -2.225
  104   HG23  ILE  13          HG23      ILE  13 -20.489   0.398  -1.433
  105   HD11  ILE  13          HD11      ILE  13 -19.474   0.867   3.077
  106   HD12  ILE  13          HD12      ILE  13 -18.497   1.654   1.841
  107   HD13  ILE  13          HD13      ILE  13 -18.028   0.071   2.456
  108    H    SER  14           HN       SER  14 -19.122  -3.443  -1.186
  109    HA   SER  14           HA       SER  14 -17.253  -3.334  -3.456
  110    HB2  SER  14           HB2      SER  14 -17.450  -5.534  -2.337
  111    HB3  SER  14           HB1      SER  14 -19.181  -5.537  -2.658
  112    HG   SER  14           HG       SER  14 -17.663  -6.683  -4.169
  113    H    VAL  15           HN       VAL  15 -17.986  -2.042  -5.011
  114    HA   VAL  15           HA       VAL  15 -20.635  -2.409  -6.091
  115    HB   VAL  15           HB       VAL  15 -20.983  -0.779  -4.225
  116   HG11  VAL  15          HG11      VAL  15 -19.201   1.012  -5.864
  117   HG12  VAL  15          HG12      VAL  15 -18.849   0.360  -4.264
  118   HG13  VAL  15          HG13      VAL  15 -20.164   1.517  -4.476
  119   HG21  VAL  15          HG21      VAL  15 -21.440   0.284  -7.007
  120   HG22  VAL  15          HG22      VAL  15 -22.243   0.866  -5.549
  121   HG23  VAL  15          HG23      VAL  15 -22.507  -0.788  -6.099
  122    H    ASP  16           HN       ASP  16 -20.855  -1.432  -8.186
  123    HA   ASP  16           HA       ASP  16 -20.069  -1.072 -10.292
  124    HB2  ASP  16           HB2      ASP  16 -18.362   0.828  -8.695
  125    HB3  ASP  16           HB1      ASP  16 -18.189   0.690 -10.441
  126    H    ASN  17           HN       ASN  17 -19.207  -3.369  -9.204
  127    HA   ASN  17           HA       ASN  17 -17.671  -5.019  -9.195
  128    HB2  ASN  17           HB2      ASN  17 -16.512  -5.415 -11.299
  129    HB3  ASN  17           HB1      ASN  17 -18.170  -4.911 -11.583
  130   HD21  ASN  17          HD21      ASN  17 -18.565  -2.956 -12.597
  131   HD22  ASN  17          HD22      ASN  17 -17.320  -2.034 -13.369
  132    H    ALA  18           HN       ALA  18 -16.836  -2.668  -7.759
  133    HA   ALA  18           HA       ALA  18 -13.989  -3.303  -7.679
  134    HB1  ALA  18           HB1      ALA  18 -13.404  -0.922  -7.449
  135    HB2  ALA  18           HB2      ALA  18 -15.086  -0.496  -7.790
  136    HB3  ALA  18           HB3      ALA  18 -14.109  -1.292  -9.025
  137    H    ILE  19           HN       ILE  19 -12.991  -2.407  -5.679
  138    HA   ILE  19           HA       ILE  19 -14.913  -2.557  -3.460
  139    HB   ILE  19           HB       ILE  19 -12.912  -3.301  -2.094
  140   HG12  ILE  19          HG12      ILE  19 -11.760  -3.656  -4.873
  141   HG13  ILE  19          HG11      ILE  19 -11.140  -2.602  -3.608
  142   HG21  ILE  19          HG21      ILE  19 -14.665  -4.834  -2.776
  143   HG22  ILE  19          HG22      ILE  19 -13.096  -5.633  -2.864
  144   HG23  ILE  19          HG23      ILE  19 -13.883  -5.071  -4.339
  145   HD11  ILE  19          HD11      ILE  19  -9.798  -4.596  -3.810
  146   HD12  ILE  19          HD12      ILE  19 -11.221  -5.603  -3.540
  147   HD13  ILE  19          HD13      ILE  19 -10.619  -4.561  -2.250
  148    H    TRP  20           HN       TRP  20 -14.936  -0.960  -1.994
  149    HA   TRP  20           HA       TRP  20 -13.133   1.302  -2.525
  150    HB2  TRP  20           HB2      TRP  20 -16.113   1.413  -2.052
  151    HB3  TRP  20           HB1      TRP  20 -15.070   2.790  -2.344
  152    HD1  TRP  20           HD1      TRP  20 -16.756  -0.113  -4.109
  153    HE1  TRP  20           HE1      TRP  20 -16.670   0.273  -6.647
  154    HE3  TRP  20           HE3      TRP  20 -13.686   3.967  -4.180
  155    HZ2  TRP  20           HZ2      TRP  20 -15.442   2.080  -8.444
  156    HZ3  TRP  20           HZ3      TRP  20 -13.101   4.966  -6.350
  157    HH2  TRP  20           HH2      TRP  20 -13.964   4.040  -8.437
  158    H    LYS  21           HN       LYS  21 -12.686   2.676  -0.822
  159    HA   LYS  21           HA       LYS  21 -13.449   1.710   1.854
  160    HB2  LYS  21           HB2      LYS  21 -11.058   1.390   1.384
  161    HB3  LYS  21           HB1      LYS  21 -10.907   3.090   0.967
  162    HG2  LYS  21           HG2      LYS  21 -11.802   3.457   3.399
  163    HG3  LYS  21           HG1      LYS  21 -11.214   1.811   3.640
  164    HD2  LYS  21           HD2      LYS  21  -9.593   4.155   2.641
  165    HD3  LYS  21           HD1      LYS  21  -9.509   3.448   4.252
  166    HE2  LYS  21           HE2      LYS  21  -8.915   1.925   1.723
  167    HE3  LYS  21           HE1      LYS  21  -7.685   2.752   2.675
  168    HZ1  LYS  21           HZ1      LYS  21  -7.865   0.374   3.192
  169    HZ2  LYS  21           HZ2      LYS  21  -9.456   0.608   3.710
  170    HZ3  LYS  21           HZ3      LYS  21  -8.183   1.348   4.538
  171    H    VAL  22           HN       VAL  22 -15.081   3.051   2.424
  172    HA   VAL  22           HA       VAL  22 -15.284   5.772   1.717
  173    HB   VAL  22           HB       VAL  22 -16.521   4.305   4.051
  174   HG11  VAL  22          HG11      VAL  22 -16.467   6.683   4.524
  175   HG12  VAL  22          HG12      VAL  22 -18.115   6.192   4.128
  176   HG13  VAL  22          HG13      VAL  22 -17.133   7.040   2.931
  177   HG21  VAL  22          HG21      VAL  22 -17.661   5.100   1.374
  178   HG22  VAL  22          HG22      VAL  22 -18.512   4.240   2.657
  179   HG23  VAL  22          HG23      VAL  22 -17.158   3.474   1.828
  180    H    ILE  23           HN       ILE  23 -13.809   7.197   2.177
  181    HA   ILE  23           HA       ILE  23 -12.315   7.099   4.662
  182    HB   ILE  23           HB       ILE  23 -12.147   9.028   2.345
  183   HG12  ILE  23          HG12      ILE  23 -10.346   6.713   3.053
  184   HG13  ILE  23          HG11      ILE  23 -11.587   6.657   1.808
  185   HG21  ILE  23          HG21      ILE  23 -10.279   8.606   4.672
  186   HG22  ILE  23          HG22      ILE  23 -11.316  10.009   4.413
  187   HG23  ILE  23          HG23      ILE  23  -9.988   9.676   3.301
  188   HD11  ILE  23          HD11      ILE  23  -9.189   8.478   1.826
  189   HD12  ILE  23          HD12      ILE  23 -10.423   8.404   0.570
  190   HD13  ILE  23          HD13      ILE  23  -9.375   7.015   0.860
  191    H    ASP  24           HN       ASP  24 -14.684   9.056   2.998
  192    HA   ASP  24           HA       ASP  24 -15.485  10.250   5.534
  193    HB2  ASP  24           HB2      ASP  24 -14.796  11.840   3.054
  194    HB3  ASP  24           HB1      ASP  24 -15.797  12.480   4.348
  195    H    PHE  25           HN       PHE  25 -17.730  10.961   5.476
  196    HA   PHE  25           HA       PHE  25 -19.185  10.199   3.076
  197    HB2  PHE  25           HB2      PHE  25 -20.789   8.801   4.330
  198    HB3  PHE  25           HB1      PHE  25 -19.168   8.124   4.329
  199    HD1  PHE  25           HD1      PHE  25 -21.906   9.301   6.328
  200    HD2  PHE  25           HD2      PHE  25 -17.758   8.350   6.393
  201    HE1  PHE  25           HE1      PHE  25 -21.988   9.128   8.779
  202    HE2  PHE  25           HE2      PHE  25 -17.833   8.178   8.844
  203    HZ   PHE  25           HZ       PHE  25 -19.951   8.566  10.040
  204    H    GLN  26           HN       GLN  26 -20.930  11.423   2.696
  205    HA   GLN  26           HA       GLN  26 -21.782  13.255   4.832
  206    HB2  GLN  26           HB2      GLN  26 -20.849  14.505   3.009
  207    HB3  GLN  26           HB1      GLN  26 -21.757  13.576   1.828
  208    HG2  GLN  26           HG2      GLN  26 -22.686  15.804   2.115
  209    HG3  GLN  26           HG1      GLN  26 -23.832  14.563   2.615
  210   HE21  GLN  26          HE21      GLN  26 -21.087  15.583   4.540
  211   HE22  GLN  26          HE22      GLN  26 -22.011  16.337   5.791
  212    H    HIS  27           HN       HIS  27 -23.429  12.128   5.757
  213    HA   HIS  27           HA       HIS  27 -25.427  10.780   4.202
  214    HB2  HIS  27           HB2      HIS  27 -24.738  10.208   6.591
  215    HB3  HIS  27           HB1      HIS  27 -25.665  11.616   7.095
  216    HD1  HIS  27           HD1      HIS  27 -25.987   8.074   6.429
  217    HD2  HIS  27           HD2      HIS  27 -28.517  11.373   6.353
  218    HE1  HIS  27           HE1      HIS  27 -28.319   7.140   6.437
  219    HE2  HIS  27           HE2      HIS  27 -29.824   9.148   6.561
  220    H    VAL  28           HN       VAL  28 -26.350  12.224   2.808
  221    HA   VAL  28           HA       VAL  28 -27.219  14.805   3.868
  222    HB   VAL  28           HB       VAL  28 -25.839  15.064   1.946
  223   HG11  VAL  28          HG11      VAL  28 -27.654  13.096   0.569
  224   HG12  VAL  28          HG12      VAL  28 -25.942  12.890   0.946
  225   HG13  VAL  28          HG13      VAL  28 -26.447  14.077  -0.259
  226   HG21  VAL  28          HG21      VAL  28 -27.715  16.591   2.051
  227   HG22  VAL  28          HG22      VAL  28 -28.724  15.450   1.164
  228   HG23  VAL  28          HG23      VAL  28 -27.344  16.206   0.371
  229    H    LYS  29           HN       LYS  29 -29.224  15.056   4.443
  230    HA   LYS  29           HA       LYS  29 -31.322  13.611   2.973
  231    HB2  LYS  29           HB2      LYS  29 -31.073  12.859   5.331
  232    HB3  LYS  29           HB1      LYS  29 -31.392  14.503   5.861
  233    HG2  LYS  29           HG2      LYS  29 -33.628  14.413   5.014
  234    HG3  LYS  29           HG1      LYS  29 -33.324  12.853   4.249
  235    HD2  LYS  29           HD2      LYS  29 -34.465  12.261   6.179
  236    HD3  LYS  29           HD1      LYS  29 -32.780  12.046   6.644
  237    HE2  LYS  29           HE2      LYS  29 -34.489  14.453   7.273
  238    HE3  LYS  29           HE1      LYS  29 -34.098  13.154   8.394
  239    HZ1  LYS  29           HZ1      LYS  29 -32.645  14.933   8.848
  240    HZ2  LYS  29           HZ2      LYS  29 -32.251  15.148   7.224
  241    HZ3  LYS  29           HZ3      LYS  29 -31.712  13.775   8.044
  242    HA   PRO  30           HA       PRO  30 -32.038  18.008   2.137
  243    HB2  PRO  30           HB2      PRO  30 -33.118  17.694  -0.305
  244    HB3  PRO  30           HB1      PRO  30 -31.376  17.581  -0.028
  245    HG2  PRO  30           HG2      PRO  30 -33.389  15.394  -0.368
  246    HG3  PRO  30           HG1      PRO  30 -31.745  15.515  -1.020
  247    HD2  PRO  30           HD2      PRO  30 -32.411  14.047   1.201
  248    HD3  PRO  30           HD1      PRO  30 -30.796  14.712   0.897
  249    H    GLY  31           HN       GLY  31 -34.194  15.392   2.516
  250    HA2  GLY  31           HA2      GLY  31 -36.337  15.470   3.433
  251    HA3  GLY  31           HA1      GLY  31 -36.350  17.212   3.190
  252    H    LYS  32           HN       LYS  32 -35.527  15.018   0.624
  253    HA   LYS  32           HA       LYS  32 -37.818  16.028  -0.883
  254    HB2  LYS  32           HB2      LYS  32 -35.308  14.599  -1.767
  255    HB3  LYS  32           HB1      LYS  32 -36.602  15.075  -2.854
  256    HG2  LYS  32           HG2      LYS  32 -35.017  16.988  -1.155
  257    HG3  LYS  32           HG1      LYS  32 -34.677  16.627  -2.848
  258    HD2  LYS  32           HD2      LYS  32 -36.943  17.421  -3.436
  259    HD3  LYS  32           HD1      LYS  32 -37.208  17.849  -1.745
  260    HE2  LYS  32           HE2      LYS  32 -35.380  19.438  -1.833
  261    HE3  LYS  32           HE1      LYS  32 -35.018  18.967  -3.492
  262    HZ1  LYS  32           HZ1      LYS  32 -36.288  21.010  -3.424
  263    HZ2  LYS  32           HZ2      LYS  32 -37.531  20.252  -2.565
  264    HZ3  LYS  32           HZ3      LYS  32 -37.195  19.785  -4.155
  265    H    GLY  33           HN       GLY  33 -37.529  13.614   1.125
  266    HA2  GLY  33           HA2      GLY  33 -39.397  12.026   1.132
  267    HA3  GLY  33           HA1      GLY  33 -39.092  11.777  -0.582
  268    H    SER  34           HN       SER  34 -36.335  11.534  -0.557
  269    HA   SER  34           HA       SER  34 -35.790   9.297   1.260
  270    HB2  SER  34           HB2      SER  34 -34.568   8.212  -0.704
  271    HB3  SER  34           HB1      SER  34 -36.330   8.196  -0.785
  272    HG   SER  34           HG       SER  34 -35.330   8.846  -2.766
  273    H    ALA  35           HN       ALA  35 -33.619   9.082   1.877
  274    HA   ALA  35           HA       ALA  35 -32.058  11.524   1.481
  275    HB1  ALA  35           HB1      ALA  35 -31.655   9.291   3.461
  276    HB2  ALA  35           HB2      ALA  35 -32.498  10.808   3.778
  277    HB3  ALA  35           HB3      ALA  35 -30.774  10.818   3.410
  278    H    PHE  36           HN       PHE  36 -29.675  11.262   1.368
  279    HA   PHE  36           HA       PHE  36 -28.849   8.869  -0.095
  280    HB2  PHE  36           HB2      PHE  36 -28.208  11.697  -0.968
  281    HB3  PHE  36           HB1      PHE  36 -27.661  10.221  -1.752
  282    HD1  PHE  36           HD1      PHE  36 -30.432  12.531  -1.277
  283    HD2  PHE  36           HD2      PHE  36 -29.209   8.865  -3.066
  284    HE1  PHE  36           HE1      PHE  36 -32.421  12.576  -2.724
  285    HE2  PHE  36           HE2      PHE  36 -31.198   8.904  -4.512
  286    HZ   PHE  36           HZ       PHE  36 -32.806  10.763  -4.343
  287    H    VAL  37           HN       VAL  37 -26.421   8.774  -0.247
  288    HA   VAL  37           HA       VAL  37 -25.113  10.300   1.897
  289    HB   VAL  37           HB       VAL  37 -24.628   7.361   1.367
  290   HG11  VAL  37          HG11      VAL  37 -23.459   9.208   3.440
  291   HG12  VAL  37          HG12      VAL  37 -22.612   8.521   2.053
  292   HG13  VAL  37          HG13      VAL  37 -23.186   7.467   3.345
  293   HG21  VAL  37          HG21      VAL  37 -25.570   6.997   3.607
  294   HG22  VAL  37          HG22      VAL  37 -26.753   7.685   2.496
  295   HG23  VAL  37          HG23      VAL  37 -25.976   8.710   3.701
  296    H    ARG  38           HN       ARG  38 -23.930  11.632   0.705
  297    HA   ARG  38           HA       ARG  38 -22.540  10.736  -1.669
  298    HB2  ARG  38           HB2      ARG  38 -23.534  13.022  -1.477
  299    HB3  ARG  38           HB1      ARG  38 -22.359  13.384  -0.220
  300    HG2  ARG  38           HG2      ARG  38 -20.544  13.176  -1.773
  301    HG3  ARG  38           HG1      ARG  38 -21.641  12.621  -3.040
  302    HD2  ARG  38           HD2      ARG  38 -21.703  15.324  -1.708
  303    HD3  ARG  38           HD1      ARG  38 -21.066  14.987  -3.316
  304    HE   ARG  38           HE       ARG  38 -23.502  14.123  -3.676
  305   HH11  ARG  38          HH11      ARG  38 -22.500  16.964  -1.892
  306   HH12  ARG  38          HH12      ARG  38 -23.979  17.822  -2.179
  307   HH21  ARG  38          HH21      ARG  38 -25.444  15.249  -4.062
  308   HH22  ARG  38          HH22      ARG  38 -25.664  16.841  -3.409
  309    H    SER  39           HN       SER  39 -20.919   9.355  -1.207
  310    HA   SER  39           HA       SER  39 -19.271   9.927   1.141
  311    HB2  SER  39           HB2      SER  39 -18.566   7.527   0.913
  312    HB3  SER  39           HB1      SER  39 -20.281   7.756   1.238
  313    HG   SER  39           HG       SER  39 -20.268   7.731  -1.289
  314    H    LYS  40           HN       LYS  40 -17.096  10.067   1.071
  315    HA   LYS  40           HA       LYS  40 -15.825  10.228  -1.579
  316    HB2  LYS  40           HB2      LYS  40 -15.647  12.201   0.013
  317    HB3  LYS  40           HB1      LYS  40 -14.753  11.154   1.103
  318    HG2  LYS  40           HG2      LYS  40 -13.026  10.847  -0.608
  319    HG3  LYS  40           HG1      LYS  40 -13.912  11.932  -1.678
  320    HD2  LYS  40           HD2      LYS  40 -13.662  13.744  -0.060
  321    HD3  LYS  40           HD1      LYS  40 -12.799  12.660   1.031
  322    HE2  LYS  40           HE2      LYS  40 -11.202  14.015  -0.147
  323    HE3  LYS  40           HE1      LYS  40 -11.071  12.353  -0.718
  324    HZ1  LYS  40           HZ1      LYS  40 -12.509  14.549  -2.107
  325    HZ2  LYS  40           HZ2      LYS  40 -12.379  12.958  -2.662
  326    HZ3  LYS  40           HZ3      LYS  40 -11.000  13.929  -2.545
  327    H    LEU  41           HN       LEU  41 -15.040   8.239  -2.108
  328    HA   LEU  41           HA       LEU  41 -13.728   6.711   0.007
  329    HB2  LEU  41           HB2      LEU  41 -14.907   4.680  -0.521
  330    HB3  LEU  41           HB1      LEU  41 -16.046   5.942  -0.112
  331    HG   LEU  41           HG       LEU  41 -15.481   4.894  -2.893
  332   HD11  LEU  41          HD11      LEU  41 -16.759   3.380  -1.428
  333   HD12  LEU  41          HD12      LEU  41 -17.726   3.998  -2.766
  334   HD13  LEU  41          HD13      LEU  41 -17.929   4.666  -1.147
  335   HD21  LEU  41          HD21      LEU  41 -16.042   7.249  -3.013
  336   HD22  LEU  41          HD22      LEU  41 -17.437   6.995  -1.966
  337   HD23  LEU  41          HD23      LEU  41 -17.398   6.276  -3.576
  338    H    ARG  42           HN       ARG  42 -12.333   5.045  -0.658
  339    HA   ARG  42           HA       ARG  42 -11.004   5.770  -3.179
  340    HB2  ARG  42           HB2      ARG  42  -9.735   6.401  -1.243
  341    HB3  ARG  42           HB1      ARG  42  -9.943   4.817  -0.522
  342    HG2  ARG  42           HG2      ARG  42  -8.545   3.830  -2.259
  343    HG3  ARG  42           HG1      ARG  42  -8.344   5.420  -3.003
  344    HD2  ARG  42           HD2      ARG  42  -7.273   6.245  -0.979
  345    HD3  ARG  42           HD1      ARG  42  -7.513   4.685  -0.197
  346    HE   ARG  42           HE       ARG  42  -5.992   3.755  -1.916
  347   HH11  ARG  42          HH11      ARG  42  -5.877   7.187  -1.191
  348   HH12  ARG  42          HH12      ARG  42  -4.234   7.366  -1.720
  349   HH21  ARG  42          HH21      ARG  42  -3.828   3.993  -2.582
  350   HH22  ARG  42          HH22      ARG  42  -3.071   5.556  -2.507
  351    H    ASN  43           HN       ASN  43 -10.746   4.254  -4.699
  352    HA   ASN  43           HA       ASN  43 -11.523   1.525  -4.326
  353    HB2  ASN  43           HB2      ASN  43 -11.553   2.750  -6.541
  354    HB3  ASN  43           HB1      ASN  43  -9.797   2.659  -6.545
  355   HD21  ASN  43          HD21      ASN  43 -11.748   1.540  -8.409
  356   HD22  ASN  43          HD22      ASN  43 -11.420  -0.158  -8.463
  357    H    LEU  44           HN       LEU  44 -10.356  -0.066  -3.424
  358    HA   LEU  44           HA       LEU  44  -7.803   0.464  -2.315
  359    HB2  LEU  44           HB2      LEU  44  -9.328  -2.105  -2.618
  360    HB3  LEU  44           HB1      LEU  44  -7.776  -2.014  -1.820
  361    HG   LEU  44           HG       LEU  44  -8.874  -0.294  -0.262
  362   HD11  LEU  44          HD11      LEU  44 -11.283  -0.527   0.015
  363   HD12  LEU  44          HD12      LEU  44 -11.350  -1.576  -1.399
  364   HD13  LEU  44          HD13      LEU  44 -10.880   0.114  -1.576
  365   HD21  LEU  44          HD21      LEU  44  -8.238  -2.510   0.451
  366   HD22  LEU  44          HD22      LEU  44  -9.721  -3.181  -0.231
  367   HD23  LEU  44          HD23      LEU  44  -9.802  -2.079   1.143
  368    H    ARG  45           HN       ARG  45  -8.778  -0.875  -5.344
  369    HA   ARG  45           HA       ARG  45  -6.267  -2.220  -5.813
  370    HB2  ARG  45           HB2      ARG  45  -8.678  -1.726  -7.554
  371    HB3  ARG  45           HB1      ARG  45  -7.214  -2.485  -8.163
  372    HG2  ARG  45           HG2      ARG  45  -7.443  -4.273  -6.513
  373    HG3  ARG  45           HG1      ARG  45  -8.920  -3.518  -5.908
  374    HD2  ARG  45           HD2      ARG  45 -10.025  -3.859  -8.008
  375    HD3  ARG  45           HD1      ARG  45  -8.532  -4.423  -8.755
  376    HE   ARG  45           HE       ARG  45  -8.675  -6.392  -7.312
  377   HH11  ARG  45          HH11      ARG  45 -11.577  -4.472  -7.698
  378   HH12  ARG  45          HH12      ARG  45 -12.645  -5.792  -7.357
  379   HH21  ARG  45          HH21      ARG  45 -10.070  -8.143  -6.892
  380   HH22  ARG  45          HH22      ARG  45 -11.795  -7.878  -6.898
  381    H    THR  46           HN       THR  46  -7.825   0.752  -6.956
  382    HA   THR  46           HA       THR  46  -5.488   1.321  -8.606
  383    HB   THR  46           HB       THR  46  -6.892   3.073  -9.624
  384    HG1  THR  46           HG1      THR  46  -9.173   3.023  -8.991
  385   HG21  THR  46          HG21      THR  46  -8.517   1.574 -10.695
  386   HG22  THR  46          HG22      THR  46  -8.203   0.362  -9.450
  387   HG23  THR  46          HG23      THR  46  -6.923   0.834 -10.567
  388    H    GLY  47           HN       GLY  47  -6.850   2.176  -5.624
  389    HA2  GLY  47           HA2      GLY  47  -6.198   3.715  -4.034
  390    HA3  GLY  47           HA1      GLY  47  -4.893   4.195  -5.109
  391    H    ALA  48           HN       ALA  48  -7.969   4.219  -6.544
  392    HA   ALA  48           HA       ALA  48  -7.767   7.021  -7.046
  393    HB1  ALA  48           HB1      ALA  48  -9.822   6.731  -8.320
  394    HB2  ALA  48           HB2      ALA  48  -9.994   5.096  -7.674
  395    HB3  ALA  48           HB3      ALA  48  -8.630   5.496  -8.722
  396    H    ILE  49           HN       ILE  49  -8.723   8.675  -6.089
  397    HA   ILE  49           HA       ILE  49 -10.537   8.170  -3.848
  398    HB   ILE  49           HB       ILE  49  -9.392  10.825  -4.710
  399   HG12  ILE  49          HG12      ILE  49  -7.529   9.304  -4.247
  400   HG13  ILE  49          HG11      ILE  49  -7.664  10.522  -2.985
  401   HG21  ILE  49          HG21      ILE  49 -10.531   9.866  -2.087
  402   HG22  ILE  49          HG22      ILE  49 -11.322  10.946  -3.236
  403   HG23  ILE  49          HG23      ILE  49  -9.865  11.470  -2.390
  404   HD11  ILE  49          HD11      ILE  49  -7.172   8.380  -2.019
  405   HD12  ILE  49          HD12      ILE  49  -8.569   7.664  -2.822
  406   HD13  ILE  49          HD13      ILE  49  -8.803   8.874  -1.561
  407    H    GLN  50           HN       GLN  50 -12.551   7.841  -4.686
  408    HA   GLN  50           HA       GLN  50 -13.567   9.899  -6.536
  409    HB2  GLN  50           HB2      GLN  50 -13.324   7.734  -7.658
  410    HB3  GLN  50           HB1      GLN  50 -14.286   6.966  -6.406
  411    HG2  GLN  50           HG2      GLN  50 -16.232   8.256  -7.079
  412    HG3  GLN  50           HG1      GLN  50 -15.274   9.074  -8.311
  413   HE21  GLN  50          HE21      GLN  50 -13.807   6.706  -9.073
  414   HE22  GLN  50          HE22      GLN  50 -14.907   5.714  -9.963
  415    H    GLU  51           HN       GLU  51 -15.856  10.420  -6.296
  416    HA   GLU  51           HA       GLU  51 -16.873   9.705  -3.635
  417    HB2  GLU  51           HB2      GLU  51 -18.132  11.791  -3.625
  418    HB3  GLU  51           HB1      GLU  51 -16.416  12.099  -3.816
  419    HG2  GLU  51           HG2      GLU  51 -16.757  12.426  -6.227
  420    HG3  GLU  51           HG1      GLU  51 -18.485  12.163  -6.001
  421    H    LYS  52           HN       LYS  52 -18.709   8.636  -3.510
  422    HA   LYS  52           HA       LYS  52 -20.358   8.388  -5.933
  423    HB2  LYS  52           HB2      LYS  52 -19.587   6.098  -4.111
  424    HB3  LYS  52           HB1      LYS  52 -20.565   5.993  -5.570
  425    HG2  LYS  52           HG2      LYS  52 -18.675   6.594  -6.941
  426    HG3  LYS  52           HG1      LYS  52 -17.681   6.865  -5.514
  427    HD2  LYS  52           HD2      LYS  52 -17.075   4.740  -6.372
  428    HD3  LYS  52           HD1      LYS  52 -18.053   4.439  -4.936
  429    HE2  LYS  52           HE2      LYS  52 -18.700   2.930  -6.709
  430    HE3  LYS  52           HE1      LYS  52 -20.010   4.061  -6.372
  431    HZ1  LYS  52           HZ1      LYS  52 -19.358   5.350  -8.302
  432    HZ2  LYS  52           HZ2      LYS  52 -19.666   3.745  -8.748
  433    HZ3  LYS  52           HZ3      LYS  52 -18.071   4.294  -8.612
  434    H    THR  53           HN       THR  53 -22.578   8.021  -5.554
  435    HA   THR  53           HA       THR  53 -23.364   8.824  -2.845
  436    HB   THR  53           HB       THR  53 -24.916   9.190  -5.405
  437    HG1  THR  53           HG1      THR  53 -22.881  10.436  -5.109
  438   HG21  THR  53          HG21      THR  53 -26.291  10.717  -4.076
  439   HG22  THR  53          HG22      THR  53 -25.333  10.341  -2.644
  440   HG23  THR  53          HG23      THR  53 -26.321   9.090  -3.396
  441    H    PHE  54           HN       PHE  54 -24.266   7.347  -1.637
  442    HA   PHE  54           HA       PHE  54 -25.661   5.076  -2.814
  443    HB2  PHE  54           HB2      PHE  54 -24.986   5.758   0.057
  444    HB3  PHE  54           HB1      PHE  54 -25.786   4.277  -0.452
  445    HD1  PHE  54           HD1      PHE  54 -24.517   2.770  -2.099
  446    HD2  PHE  54           HD2      PHE  54 -22.669   5.883   0.144
  447    HE1  PHE  54           HE1      PHE  54 -22.323   1.704  -2.429
  448    HE2  PHE  54           HE2      PHE  54 -20.477   4.817  -0.176
  449    HZ   PHE  54           HZ       PHE  54 -20.301   2.728  -1.469
  450    H    ARG  55           HN       ARG  55 -27.858   4.546  -2.092
  451    HA   ARG  55           HA       ARG  55 -29.371   7.000  -1.493
  452    HB2  ARG  55           HB2      ARG  55 -31.217   6.028  -2.849
  453    HB3  ARG  55           HB1      ARG  55 -29.768   6.396  -3.772
  454    HG2  ARG  55           HG2      ARG  55 -29.141   4.064  -3.786
  455    HG3  ARG  55           HG1      ARG  55 -30.527   3.663  -2.772
  456    HD2  ARG  55           HD2      ARG  55 -30.657   4.839  -5.546
  457    HD3  ARG  55           HD1      ARG  55 -30.934   3.148  -5.132
  458    HE   ARG  55           HE       ARG  55 -32.622   5.204  -3.903
  459   HH11  ARG  55          HH11      ARG  55 -32.276   2.511  -6.118
  460   HH12  ARG  55          HH12      ARG  55 -33.985   2.267  -6.282
  461   HH21  ARG  55          HH21      ARG  55 -34.871   4.883  -4.119
  462   HH22  ARG  55          HH22      ARG  55 -35.464   3.627  -5.161
  463    H    ALA  56           HN       ALA  56 -30.784   6.981   0.131
  464    HA   ALA  56           HA       ALA  56 -30.749   4.845   1.994
  465    HB1  ALA  56           HB1      ALA  56 -32.569   7.242   1.859
  466    HB2  ALA  56           HB2      ALA  56 -31.026   7.149   2.711
  467    HB3  ALA  56           HB3      ALA  56 -32.389   6.164   3.244
  468    H    GLY  57           HN       GLY  57 -32.031   3.170   2.264
  469    HA2  GLY  57           HA2      GLY  57 -34.194   2.097   2.090
  470    HA3  GLY  57           HA1      GLY  57 -34.459   2.998   0.603
  471    H    GLU  58           HN       GLU  58 -31.486   2.404   0.050
  472    HA   GLU  58           HA       GLU  58 -31.963  -0.260  -1.094
  473    HB2  GLU  58           HB2      GLU  58 -31.364   1.847  -2.515
  474    HB3  GLU  58           HB1      GLU  58 -29.732   1.575  -1.918
  475    HG2  GLU  58           HG2      GLU  58 -30.085   0.570  -4.110
  476    HG3  GLU  58           HG1      GLU  58 -29.723  -0.646  -2.883
  477    H    LYS  59           HN       LYS  59 -30.580  -1.927  -0.621
  478    HA   LYS  59           HA       LYS  59 -28.765  -1.433   1.608
  479    HB2  LYS  59           HB2      LYS  59 -29.751  -4.035   0.427
  480    HB3  LYS  59           HB1      LYS  59 -28.728  -3.891   1.848
  481    HG2  LYS  59           HG2      LYS  59 -31.523  -2.796   1.584
  482    HG3  LYS  59           HG1      LYS  59 -31.072  -4.274   2.435
  483    HD2  LYS  59           HD2      LYS  59 -30.020  -1.534   3.131
  484    HD3  LYS  59           HD1      LYS  59 -31.409  -2.285   3.911
  485    HE2  LYS  59           HE2      LYS  59 -28.617  -3.425   3.849
  486    HE3  LYS  59           HE1      LYS  59 -29.332  -2.557   5.207
  487    HZ1  LYS  59           HZ1      LYS  59 -30.286  -5.130   4.072
  488    HZ2  LYS  59           HZ2      LYS  59 -31.045  -4.279   5.322
  489    HZ3  LYS  59           HZ3      LYS  59 -29.498  -4.915   5.555
  490    H    VAL  60           HN       VAL  60 -26.635  -1.611   1.512
  491    HA   VAL  60           HA       VAL  60 -25.456  -1.851  -1.152
  492    HB   VAL  60           HB       VAL  60 -24.158  -0.891   1.404
  493   HG11  VAL  60          HG11      VAL  60 -23.395  -0.541  -1.488
  494   HG12  VAL  60          HG12      VAL  60 -22.572  -1.548  -0.298
  495   HG13  VAL  60          HG13      VAL  60 -22.575   0.207  -0.117
  496   HG21  VAL  60          HG21      VAL  60 -25.493   0.748  -0.748
  497   HG22  VAL  60          HG22      VAL  60 -24.598   1.384   0.633
  498   HG23  VAL  60          HG23      VAL  60 -26.101   0.497   0.889
  499    H    GLU  61           HN       GLU  61 -23.750  -3.259  -1.605
  500    HA   GLU  61           HA       GLU  61 -23.572  -5.581   0.128
  501    HB2  GLU  61           HB2      GLU  61 -22.407  -5.024  -2.604
  502    HB3  GLU  61           HB1      GLU  61 -22.214  -6.540  -1.734
  503    HG2  GLU  61           HG2      GLU  61 -24.622  -6.879  -1.764
  504    HG3  GLU  61           HG1      GLU  61 -24.831  -5.345  -2.609
  505    HA   PRO  62           HA       PRO  62 -19.819  -3.992   1.902
  506    HB2  PRO  62           HB2      PRO  62 -19.374  -5.979   3.641
  507    HB3  PRO  62           HB1      PRO  62 -20.690  -4.825   3.873
  508    HG2  PRO  62           HG2      PRO  62 -20.785  -7.617   2.809
  509    HG3  PRO  62           HG1      PRO  62 -21.905  -6.802   3.916
  510    HD2  PRO  62           HD2      PRO  62 -22.351  -7.119   1.219
  511    HD3  PRO  62           HD1      PRO  62 -23.073  -5.834   2.206
  512    H    ALA  63           HN       ALA  63 -17.635  -4.375   1.820
  513    HA   ALA  63           HA       ALA  63 -16.778  -6.757   0.310
  514    HB1  ALA  63           HB1      ALA  63 -15.559  -3.999   0.351
  515    HB2  ALA  63           HB2      ALA  63 -16.469  -4.710  -0.974
  516    HB3  ALA  63           HB3      ALA  63 -14.907  -5.387  -0.517
  517    H    MET  64           HN       MET  64 -15.882  -8.154   1.731
  518    HA   MET  64           HA       MET  64 -14.656  -7.119   4.153
  519    HB2  MET  64           HB2      MET  64 -15.070  -9.977   3.254
  520    HB3  MET  64           HB1      MET  64 -14.503  -9.474   4.840
  521    HG2  MET  64           HG2      MET  64 -16.633  -8.313   5.215
  522    HG3  MET  64           HG1      MET  64 -17.199  -8.874   3.644
  523    HE1  MET  64           HE1      MET  64 -19.364 -11.040   6.018
  524    HE2  MET  64           HE2      MET  64 -19.350  -9.983   4.606
  525    HE3  MET  64           HE3      MET  64 -18.915  -9.344   6.192
  526    H    ILE  65           HN       ILE  65 -12.660  -6.425   3.997
  527    HA   ILE  65           HA       ILE  65 -10.827  -7.620   2.079
  528    HB   ILE  65           HB       ILE  65 -10.444  -5.251   3.918
  529   HG12  ILE  65          HG12      ILE  65 -12.165  -4.810   2.267
  530   HG13  ILE  65          HG11      ILE  65 -10.711  -3.910   1.855
  531   HG21  ILE  65          HG21      ILE  65  -8.323  -6.277   3.341
  532   HG22  ILE  65          HG22      ILE  65  -8.500  -4.731   2.513
  533   HG23  ILE  65          HG23      ILE  65  -8.747  -6.237   1.630
  534   HD11  ILE  65          HD11      ILE  65 -11.720  -4.843  -0.126
  535   HD12  ILE  65          HD12      ILE  65 -11.654  -6.460   0.571
  536   HD13  ILE  65          HD13      ILE  65 -10.161  -5.612   0.175
  537    H    GLU  66           HN       GLU  66  -9.172  -8.886   2.594
  538    HA   GLU  66           HA       GLU  66  -8.908  -9.675   5.409
  539    HB2  GLU  66           HB2      GLU  66  -9.595 -11.408   3.769
  540    HB3  GLU  66           HB1      GLU  66  -8.101 -11.137   2.889
  541    HG2  GLU  66           HG2      GLU  66  -6.835 -11.860   4.870
  542    HG3  GLU  66           HG1      GLU  66  -8.360 -12.203   5.688
  543    H    ASN  67           HN       ASN  67  -7.327  -8.433   6.274
  544    HA   ASN  67           HA       ASN  67  -4.908  -7.946   4.720
  545    HB2  ASN  67           HB2      ASN  67  -5.779  -6.870   7.409
  546    HB3  ASN  67           HB1      ASN  67  -4.244  -6.491   6.637
  547   HD21  ASN  67          HD21      ASN  67  -7.645  -5.923   6.677
  548   HD22  ASN  67          HD22      ASN  67  -7.648  -4.626   5.532
  549    H    ARG  68           HN       ARG  68  -3.673  -9.724   4.717
  550    HA   ARG  68           HA       ARG  68  -3.024 -10.911   7.329
  551    HB2  ARG  68           HB2      ARG  68  -2.986 -12.050   4.551
  552    HB3  ARG  68           HB1      ARG  68  -1.983 -12.747   5.815
  553    HG2  ARG  68           HG2      ARG  68  -4.063 -13.023   7.188
  554    HG3  ARG  68           HG1      ARG  68  -4.982 -12.539   5.763
  555    HD2  ARG  68           HD2      ARG  68  -3.038 -14.837   5.777
  556    HD3  ARG  68           HD1      ARG  68  -4.752 -15.024   6.140
  557    HE   ARG  68           HE       ARG  68  -5.104 -14.028   3.834
  558   HH11  ARG  68          HH11      ARG  68  -2.301 -15.954   4.683
  559   HH12  ARG  68          HH12      ARG  68  -2.044 -16.524   3.067
  560   HH21  ARG  68          HH21      ARG  68  -4.760 -14.773   1.709
  561   HH22  ARG  68          HH22      ARG  68  -3.450 -15.856   1.371
  562    H    ARG  69           HN       ARG  69  -0.653 -11.726   7.363
  563    HA   ARG  69           HA       ARG  69   1.029  -9.725   6.080
  564    HB2  ARG  69           HB2      ARG  69   2.202  -9.322   8.238
  565    HB3  ARG  69           HB1      ARG  69   0.547  -8.739   8.191
  566    HG2  ARG  69           HG2      ARG  69  -0.008 -11.023   9.303
  567    HG3  ARG  69           HG1      ARG  69   1.708 -11.023   9.719
  568    HD2  ARG  69           HD2      ARG  69  -0.341  -8.934  10.435
  569    HD3  ARG  69           HD1      ARG  69   0.461 -10.053  11.532
  570    HE   ARG  69           HE       ARG  69   2.576  -8.838  10.846
  571   HH11  ARG  69          HH11      ARG  69  -0.573  -7.303  10.905
  572   HH12  ARG  69          HH12      ARG  69   0.061  -5.713  11.175
  573   HH21  ARG  69          HH21      ARG  69   3.416  -6.733  11.202
  574   HH22  ARG  69          HH22      ARG  69   2.329  -5.389  11.340
  575    H    MET  70           HN       MET  70   2.739 -10.533   5.194
  576    HA   MET  70           HA       MET  70   3.526 -13.274   5.906
  577    HB2  MET  70           HB2      MET  70   3.582 -11.957   3.187
  578    HB3  MET  70           HB1      MET  70   4.154 -13.572   3.546
  579    HG2  MET  70           HG2      MET  70   2.045 -13.747   2.478
  580    HG3  MET  70           HG1      MET  70   1.840 -14.203   4.160
  581    HE1  MET  70           HE1      MET  70  -0.462 -13.443   2.017
  582    HE2  MET  70           HE2      MET  70  -1.560 -12.520   3.042
  583    HE3  MET  70           HE3      MET  70  -0.816 -13.996   3.655
  584    H    GLN  71           HN       GLN  71   5.728 -13.774   5.874
  585    HA   GLN  71           HA       GLN  71   7.497 -11.472   5.973
  586    HB2  GLN  71           HB2      GLN  71   7.598 -13.290   7.699
  587    HB3  GLN  71           HB1      GLN  71   8.202 -14.367   6.445
  588    HG2  GLN  71           HG2      GLN  71  10.152 -13.008   6.134
  589    HG3  GLN  71           HG1      GLN  71   9.531 -11.789   7.245
  590   HE21  GLN  71          HE21      GLN  71  11.238 -11.893   8.626
  591   HE22  GLN  71          HE22      GLN  71  11.552 -13.259   9.642
  592    H    TYR  72           HN       TYR  72   9.151 -11.099   4.581
  593    HA   TYR  72           HA       TYR  72   8.703 -11.926   1.908
  594    HB2  TYR  72           HB2      TYR  72   9.551  -9.664   2.630
  595    HB3  TYR  72           HB1      TYR  72  11.096 -10.423   2.981
  596    HD1  TYR  72           HD1      TYR  72   8.945  -9.085   0.405
  597    HD2  TYR  72           HD2      TYR  72  12.430 -11.416   1.102
  598    HE1  TYR  72           HE1      TYR  72   9.627  -8.755  -1.934
  599    HE2  TYR  72           HE2      TYR  72  13.125 -11.090  -1.231
  600    HH   TYR  72           HH       TYR  72  11.619  -8.810  -3.293
  601    H    LEU  73           HN       LEU  73   9.094 -14.026   1.526
  602    HA   LEU  73           HA       LEU  73  11.817 -15.022   1.861
  603    HB2  LEU  73           HB2      LEU  73   9.195 -16.252   1.145
  604    HB3  LEU  73           HB1      LEU  73  10.642 -16.995   0.495
  605    HG   LEU  73           HG       LEU  73   9.917 -18.109   2.545
  606   HD11  LEU  73          HD11      LEU  73  12.468 -16.553   2.938
  607   HD12  LEU  73          HD12      LEU  73  12.301 -18.046   2.016
  608   HD13  LEU  73          HD13      LEU  73  12.025 -18.049   3.758
  609   HD21  LEU  73          HD21      LEU  73   8.814 -16.236   3.643
  610   HD22  LEU  73          HD22      LEU  73  10.371 -15.441   3.875
  611   HD23  LEU  73          HD23      LEU  73  10.024 -16.959   4.704
  612    H    TYR  74           HN       TYR  74  12.170 -16.421  -0.529
  613    HA   TYR  74           HA       TYR  74  12.114 -14.260  -2.486
  614    HB2  TYR  74           HB2      TYR  74  14.578 -14.362  -2.769
  615    HB3  TYR  74           HB1      TYR  74  14.087 -13.768  -1.187
  616    HD1  TYR  74           HD1      TYR  74  14.213 -15.338   0.789
  617    HD2  TYR  74           HD2      TYR  74  15.961 -16.268  -2.977
  618    HE1  TYR  74           HE1      TYR  74  15.624 -17.032   1.868
  619    HE2  TYR  74           HE2      TYR  74  17.380 -17.965  -1.904
  620    HH   TYR  74           HH       TYR  74  18.309 -18.388   0.422
  621    H    ALA  75           HN       ALA  75  12.308 -14.818  -4.528
  622    HA   ALA  75           HA       ALA  75  13.275 -17.413  -5.345
  623    HB1  ALA  75           HB1      ALA  75  11.267 -18.006  -6.587
  624    HB2  ALA  75           HB2      ALA  75  10.451 -16.562  -5.991
  625    HB3  ALA  75           HB3      ALA  75  10.901 -17.848  -4.872
  626    H    ASP  76           HN       ASP  76  12.634 -17.351  -8.000
  627    HA   ASP  76           HA       ASP  76  14.191 -15.106  -8.924
  628    HB2  ASP  76           HB2      ASP  76  14.373 -17.388  -9.928
  629    HB3  ASP  76           HB1      ASP  76  12.740 -17.199 -10.560
  630    H    GLY  77           HN       GLY  77  13.384 -13.431 -10.411
  631    HA2  GLY  77           HA2      GLY  77  10.881 -12.568  -9.293
  632    HA3  GLY  77           HA1      GLY  77  11.905 -11.642 -10.372
  633    H    ASP  78           HN       ASP  78   9.989 -14.603 -10.561
  634    HA   ASP  78           HA       ASP  78   8.143 -13.155 -12.331
  635    HB2  ASP  78           HB2      ASP  78   8.984 -16.049 -12.406
  636    HB3  ASP  78           HB1      ASP  78   7.409 -15.553 -13.021
  637    H    ASN  79           HN       ASN  79   8.843 -15.249  -9.705
  638    HA   ASN  79           HA       ASN  79   6.297 -14.604  -8.439
  639    HB2  ASN  79           HB2      ASN  79   6.080 -16.936  -7.603
  640    HB3  ASN  79           HB1      ASN  79   5.962 -16.853  -9.362
  641   HD21  ASN  79          HD21      ASN  79   6.732 -19.032  -7.481
  642   HD22  ASN  79          HD22      ASN  79   8.269 -19.584  -8.060
  643    H    HIS  80           HN       HIS  80   6.608 -13.950  -6.368
  644    HA   HIS  80           HA       HIS  80   9.123 -14.774  -5.053
  645    HB2  HIS  80           HB2      HIS  80   7.515 -12.244  -4.730
  646    HB3  HIS  80           HB1      HIS  80   8.668 -12.775  -3.514
  647    HD1  HIS  80           HD1      HIS  80   9.165 -10.117  -4.791
  648    HD2  HIS  80           HD2      HIS  80  10.637 -13.681  -6.373
  649    HE1  HIS  80           HE1      HIS  80  11.150  -9.474  -6.211
  650    HE2  HIS  80           HE2      HIS  80  12.126 -11.660  -7.003
  651    H    VAL  81           HN       VAL  81   9.020 -15.456  -2.897
  652    HA   VAL  81           HA       VAL  81   6.425 -16.625  -2.257
  653    HB   VAL  81           HB       VAL  81   9.122 -17.194  -1.020
  654   HG11  VAL  81          HG11      VAL  81   6.514 -18.707  -0.857
  655   HG12  VAL  81          HG12      VAL  81   7.241 -17.754   0.437
  656   HG13  VAL  81          HG13      VAL  81   8.048 -19.210  -0.147
  657   HG21  VAL  81          HG21      VAL  81   7.611 -18.676  -3.170
  658   HG22  VAL  81          HG22      VAL  81   9.093 -19.236  -2.395
  659   HG23  VAL  81          HG23      VAL  81   9.110 -17.773  -3.384
  660    H    PHE  82           HN       PHE  82   5.173 -15.762  -0.711
  661    HA   PHE  82           HA       PHE  82   6.500 -14.276   1.461
  662    HB2  PHE  82           HB2      PHE  82   3.854 -13.753   0.106
  663    HB3  PHE  82           HB1      PHE  82   4.283 -13.042   1.653
  664    HD1  PHE  82           HD1      PHE  82   5.107 -13.148  -1.940
  665    HD2  PHE  82           HD2      PHE  82   5.783 -11.223   1.802
  666    HE1  PHE  82           HE1      PHE  82   6.248 -11.300  -3.094
  667    HE2  PHE  82           HE2      PHE  82   6.920  -9.377   0.649
  668    HZ   PHE  82           HZ       PHE  82   7.155  -9.413  -1.801
  669    H    MET  83           HN       MET  83   6.335 -15.282   3.357
  670    HA   MET  83           HA       MET  83   4.472 -17.520   3.538
  671    HB2  MET  83           HB2      MET  83   6.869 -16.724   5.172
  672    HB3  MET  83           HB1      MET  83   5.782 -18.015   5.666
  673    HG2  MET  83           HG2      MET  83   7.381 -17.912   3.120
  674    HG3  MET  83           HG1      MET  83   7.722 -18.911   4.530
  675    HE1  MET  83           HE1      MET  83   4.671 -19.796   5.321
  676    HE2  MET  83           HE2      MET  83   6.093 -20.834   5.387
  677    HE3  MET  83           HE3      MET  83   4.652 -21.367   4.522
  678    H    ASP  84           HN       ASP  84   2.577 -17.216   4.369
  679    HA   ASP  84           HA       ASP  84   1.763 -14.944   5.791
  680    HB2  ASP  84           HB2      ASP  84   0.180 -16.253   4.522
  681    HB3  ASP  84           HB1      ASP  84   0.472 -17.655   5.541
  682    H    ASN  85           HN       ASN  85   2.223 -14.365   7.738
  683    HA   ASN  85           HA       ASN  85   3.277 -16.204   9.673
  684    HB2  ASN  85           HB2      ASN  85   2.590 -13.264   9.866
  685    HB3  ASN  85           HB1      ASN  85   3.372 -14.185  11.150
  686   HD21  ASN  85          HD21      ASN  85   4.317 -11.869   9.658
  687   HD22  ASN  85          HD22      ASN  85   5.808 -12.345   8.930
  688    H    GLU  86           HN       GLU  86   0.158 -15.231   8.772
  689    HA   GLU  86           HA       GLU  86  -1.058 -15.501  11.347
  690    HB2  GLU  86           HB2      GLU  86  -2.130 -14.231   9.518
  691    HB3  GLU  86           HB1      GLU  86  -2.332 -15.721   8.612
  692    HG2  GLU  86           HG2      GLU  86  -3.939 -16.542  10.080
  693    HG3  GLU  86           HG1      GLU  86  -3.476 -15.421  11.359
  694    H    SER  87           HN       SER  87  -0.954 -17.656   8.457
  695    HA   SER  87           HA       SER  87  -0.113 -19.800  10.126
  696    HB2  SER  87           HB2      SER  87  -2.144 -21.268   9.507
  697    HB3  SER  87           HB1      SER  87  -2.327 -20.105  10.817
  698    HG   SER  87           HG       SER  87  -2.989 -19.412   8.161
  699    H    PHE  88           HN       PHE  88   1.532 -19.681   8.495
  700    HA   PHE  88           HA       PHE  88   2.718 -20.885   7.014
  701    HB2  PHE  88           HB2      PHE  88   0.567 -22.866   7.709
  702    HB3  PHE  88           HB1      PHE  88   2.049 -23.284   6.846
  703    HD1  PHE  88           HD1      PHE  88   0.547 -22.546  10.051
  704    HD2  PHE  88           HD2      PHE  88   4.237 -23.054   7.992
  705    HE1  PHE  88           HE1      PHE  88   1.706 -22.831  12.202
  706    HE2  PHE  88           HE2      PHE  88   5.400 -23.344  10.139
  707    HZ   PHE  88           HZ       PHE  88   4.135 -23.232  12.248
  708    H    GLU  89           HN       GLU  89   0.429 -19.336   5.672
  709    HA   GLU  89           HA       GLU  89   0.129 -21.034   3.324
  710    HB2  GLU  89           HB2      GLU  89  -1.105 -18.384   4.036
  711    HB3  GLU  89           HB1      GLU  89  -1.296 -19.141   2.460
  712    HG2  GLU  89           HG2      GLU  89  -2.224 -21.143   3.610
  713    HG3  GLU  89           HG1      GLU  89  -2.185 -20.224   5.113
  714    H    GLN  90           HN       GLN  90   1.600 -21.005   1.796
  715    HA   GLN  90           HA       GLN  90   3.443 -18.790   1.587
  716    HB2  GLN  90           HB2      GLN  90   4.550 -20.227  -0.140
  717    HB3  GLN  90           HB1      GLN  90   4.416 -20.965   1.448
  718    HG2  GLN  90           HG2      GLN  90   2.415 -22.199   0.631
  719    HG3  GLN  90           HG1      GLN  90   2.739 -21.556  -0.976
  720   HE21  GLN  90          HE21      GLN  90   5.649 -21.725  -0.580
  721   HE22  GLN  90          HE22      GLN  90   6.046 -23.399  -0.731
  722    H    THR  91           HN       THR  91   2.501 -17.054   0.695
  723    HA   THR  91           HA       THR  91   0.810 -17.323  -1.647
  724    HB   THR  91           HB       THR  91   1.643 -14.810  -0.195
  725    HG1  THR  91           HG1      THR  91  -0.272 -16.745   0.372
  726   HG21  THR  91          HG21      THR  91  -0.666 -15.351  -2.064
  727   HG22  THR  91          HG22      THR  91   0.782 -14.426  -2.459
  728   HG23  THR  91          HG23      THR  91  -0.341 -13.826  -1.239
  729    H    GLU  92           HN       GLU  92   1.718 -17.367  -3.609
  730    HA   GLU  92           HA       GLU  92   4.320 -16.095  -4.011
  731    HB2  GLU  92           HB2      GLU  92   2.716 -17.922  -5.808
  732    HB3  GLU  92           HB1      GLU  92   4.284 -17.246  -6.216
  733    HG2  GLU  92           HG2      GLU  92   5.288 -18.434  -4.331
  734    HG3  GLU  92           HG1      GLU  92   3.711 -19.118  -3.932
  735    H    LEU  93           HN       LEU  93   4.502 -14.195  -4.973
  736    HA   LEU  93           HA       LEU  93   2.126 -13.077  -6.287
  737    HB2  LEU  93           HB2      LEU  93   4.516 -11.784  -4.992
  738    HB3  LEU  93           HB1      LEU  93   3.368 -10.883  -5.961
  739    HG   LEU  93           HG       LEU  93   2.745 -12.373  -3.408
  740   HD11  LEU  93          HD11      LEU  93   4.047 -10.369  -3.009
  741   HD12  LEU  93          HD12      LEU  93   2.381 -10.137  -2.479
  742   HD13  LEU  93          HD13      LEU  93   2.931  -9.425  -3.997
  743   HD21  LEU  93          HD21      LEU  93   0.802 -12.444  -4.782
  744   HD22  LEU  93          HD22      LEU  93   1.003 -10.760  -5.265
  745   HD23  LEU  93          HD23      LEU  93   0.557 -11.157  -3.604
  746    H    SER  94           HN       SER  94   2.291 -12.026  -8.271
  747    HA   SER  94           HA       SER  94   4.257 -13.268  -9.999
  748    HB2  SER  94           HB2      SER  94   1.852 -13.259 -10.606
  749    HB3  SER  94           HB1      SER  94   1.905 -11.501 -10.711
  750    HG   SER  94           HG       SER  94   2.165 -12.358 -12.759
  751    H    SER  95           HN       SER  95   5.115 -11.892 -11.871
  752    HA   SER  95           HA       SER  95   7.047 -10.218 -10.897
  753    HB2  SER  95           HB2      SER  95   7.102  -9.382 -13.377
  754    HB3  SER  95           HB1      SER  95   7.490 -11.062 -12.996
  755    HG   SER  95           HG       SER  95   5.302  -9.990 -14.322
  756    H    ASP  96           HN       ASP  96   3.837  -9.297 -12.029
  757    HA   ASP  96           HA       ASP  96   4.118  -6.548 -12.254
  758    HB2  ASP  96           HB2      ASP  96   1.779  -8.232 -11.379
  759    HB3  ASP  96           HB1      ASP  96   1.661  -6.481 -11.517
  760    H    TYR  97           HN       TYR  97   3.571  -8.477  -9.356
  761    HA   TYR  97           HA       TYR  97   3.423  -6.164  -7.643
  762    HB2  TYR  97           HB2      TYR  97   3.704  -9.105  -6.983
  763    HB3  TYR  97           HB1      TYR  97   3.402  -7.831  -5.809
  764    HD1  TYR  97           HD1      TYR  97   1.952  -9.800  -8.551
  765    HD2  TYR  97           HD2      TYR  97   1.216  -6.854  -5.573
  766    HE1  TYR  97           HE1      TYR  97  -0.468 -10.075  -8.884
  767    HE2  TYR  97           HE2      TYR  97  -1.206  -7.121  -5.898
  768    HH   TYR  97           HH       TYR  97  -2.737  -7.890  -7.705
  769    H    LEU  98           HN       LEU  98   5.765  -8.483  -8.717
  770    HA   LEU  98           HA       LEU  98   7.648  -8.149  -6.637
  771    HB2  LEU  98           HB2      LEU  98   8.294  -9.036  -9.429
  772    HB3  LEU  98           HB1      LEU  98   9.127  -9.455  -7.946
  773    HG   LEU  98           HG       LEU  98   6.466 -10.453  -8.922
  774   HD11  LEU  98          HD11      LEU  98   8.433 -11.565  -9.799
  775   HD12  LEU  98          HD12      LEU  98   7.547 -12.626  -8.702
  776   HD13  LEU  98          HD13      LEU  98   9.027 -11.833  -8.161
  777   HD21  LEU  98          HD21      LEU  98   6.313 -11.720  -6.822
  778   HD22  LEU  98          HD22      LEU  98   6.185  -9.980  -6.573
  779   HD23  LEU  98          HD23      LEU  98   7.691 -10.815  -6.195
  780    H    LYS  99           HN       LYS  99   7.113  -6.507  -9.675
  781    HA   LYS  99           HA       LYS  99   9.585  -5.197  -9.846
  782    HB2  LYS  99           HB2      LYS  99   7.988  -5.279 -11.696
  783    HB3  LYS  99           HB1      LYS  99   6.883  -4.248 -10.798
  784    HG2  LYS  99           HG2      LYS  99   8.121  -2.986 -12.477
  785    HG3  LYS  99           HG1      LYS  99   8.500  -2.443 -10.842
  786    HD2  LYS  99           HD2      LYS  99  10.544  -3.842 -10.894
  787    HD3  LYS  99           HD1      LYS  99  10.183  -4.249 -12.572
  788    HE2  LYS  99           HE2      LYS  99  11.824  -2.454 -12.438
  789    HE3  LYS  99           HE1      LYS  99  10.327  -1.890 -13.176
  790    HZ1  LYS  99           HZ1      LYS  99  11.154  -1.442 -10.358
  791    HZ2  LYS  99           HZ2      LYS  99   9.696  -0.925 -11.043
  792    HZ3  LYS  99           HZ3      LYS  99  11.160  -0.288 -11.594
  793    H    GLU 100           HN       GLU 100   6.558  -4.261  -8.280
  794    HA   GLU 100           HA       GLU 100   7.485  -1.770  -7.308
  795    HB2  GLU 100           HB2      GLU 100   5.315  -3.582  -6.236
  796    HB3  GLU 100           HB1      GLU 100   5.572  -1.915  -5.738
  797    HG2  GLU 100           HG2      GLU 100   4.786  -2.881  -8.476
  798    HG3  GLU 100           HG1      GLU 100   3.773  -2.013  -7.323
  799    H    GLU 101           HN       GLU 101   7.518  -5.045  -6.027
  800    HA   GLU 101           HA       GLU 101   8.662  -4.491  -3.528
  801    HB2  GLU 101           HB2      GLU 101   9.006  -6.920  -5.288
  802    HB3  GLU 101           HB1      GLU 101   9.465  -6.833  -3.597
  803    HG2  GLU 101           HG2      GLU 101   7.229  -6.682  -2.892
  804    HG3  GLU 101           HG1      GLU 101   6.656  -6.353  -4.528
  805    H    LEU 102           HN       LEU 102  10.140  -5.027  -6.706
  806    HA   LEU 102           HA       LEU 102  12.804  -5.069  -5.807
  807    HB2  LEU 102           HB2      LEU 102  11.667  -4.302  -8.496
  808    HB3  LEU 102           HB1      LEU 102  13.379  -4.516  -8.176
  809    HG   LEU 102           HG       LEU 102  11.240  -6.642  -8.023
  810   HD11  LEU 102          HD11      LEU 102  12.459  -7.656  -9.877
  811   HD12  LEU 102          HD12      LEU 102  13.580  -6.296  -9.892
  812   HD13  LEU 102          HD13      LEU 102  11.882  -6.044 -10.296
  813   HD21  LEU 102          HD21      LEU 102  13.107  -8.196  -7.584
  814   HD22  LEU 102          HD22      LEU 102  12.864  -7.036  -6.280
  815   HD23  LEU 102          HD23      LEU 102  14.190  -6.814  -7.420
  816    H    ASN 103           HN       ASN 103  10.567  -2.505  -6.257
  817    HA   ASN 103           HA       ASN 103  12.487  -0.396  -6.325
  818    HB2  ASN 103           HB2      ASN 103   9.595  -0.337  -5.425
  819    HB3  ASN 103           HB1      ASN 103  10.597   1.076  -5.729
  820   HD21  ASN 103          HD21      ASN 103   8.102   0.283  -6.949
  821   HD22  ASN 103          HD22      ASN 103   8.404   0.158  -8.646
  822    H    TYR 104           HN       TYR 104  10.459  -1.824  -3.766
  823    HA   TYR 104           HA       TYR 104  12.569  -1.140  -1.840
  824    HB2  TYR 104           HB2      TYR 104   9.627  -0.734  -1.244
  825    HB3  TYR 104           HB1      TYR 104  10.978  -0.368  -0.183
  826    HD1  TYR 104           HD1      TYR 104  12.437   1.589  -0.678
  827    HD2  TYR 104           HD2      TYR 104   8.911   0.794  -2.920
  828    HE1  TYR 104           HE1      TYR 104  12.459   3.900  -1.521
  829    HE2  TYR 104           HE2      TYR 104   8.924   3.098  -3.773
  830    HH   TYR 104           HH       TYR 104   9.791   5.251  -3.251
  831    H    LEU 105           HN       LEU 105  13.200  -3.047  -1.008
  832    HA   LEU 105           HA       LEU 105  11.330  -4.749   0.296
  833    HB2  LEU 105           HB2      LEU 105  11.479  -6.739  -0.954
  834    HB3  LEU 105           HB1      LEU 105  11.094  -5.486  -2.105
  835    HG   LEU 105           HG       LEU 105  12.586  -6.908  -3.208
  836   HD11  LEU 105          HD11      LEU 105  14.573  -5.618  -3.659
  837   HD12  LEU 105          HD12      LEU 105  14.300  -4.662  -2.202
  838   HD13  LEU 105          HD13      LEU 105  13.155  -4.575  -3.539
  839   HD21  LEU 105          HD21      LEU 105  14.398  -6.848  -0.807
  840   HD22  LEU 105          HD22      LEU 105  14.737  -7.659  -2.336
  841   HD23  LEU 105          HD23      LEU 105  13.392  -8.199  -1.332
  842    H    LYS 106           HN       LYS 106  12.283  -6.219   1.682
  843    HA   LYS 106           HA       LYS 106  15.160  -6.620   1.556
  844    HB2  LYS 106           HB2      LYS 106  13.815  -5.723   4.113
  845    HB3  LYS 106           HB1      LYS 106  15.508  -6.133   3.911
  846    HG2  LYS 106           HG2      LYS 106  15.654  -4.221   2.278
  847    HG3  LYS 106           HG1      LYS 106  14.039  -3.758   2.810
  848    HD2  LYS 106           HD2      LYS 106  15.634  -2.465   4.038
  849    HD3  LYS 106           HD1      LYS 106  14.912  -3.639   5.136
  850    HE2  LYS 106           HE2      LYS 106  16.836  -5.028   5.047
  851    HE3  LYS 106           HE1      LYS 106  17.521  -4.104   3.712
  852    HZ1  LYS 106           HZ1      LYS 106  17.020  -2.969   6.408
  853    HZ2  LYS 106           HZ2      LYS 106  17.890  -2.267   5.137
  854    HZ3  LYS 106           HZ3      LYS 106  18.505  -3.631   5.926
  855    H    GLU 107           HN       GLU 107  15.704  -8.659   2.144
  856    HA   GLU 107           HA       GLU 107  13.654 -10.580   2.285
  857    HB2  GLU 107           HB2      GLU 107  16.618 -10.796   2.802
  858    HB3  GLU 107           HB1      GLU 107  15.533 -12.177   2.742
  859    HG2  GLU 107           HG2      GLU 107  15.009 -11.749   0.445
  860    HG3  GLU 107           HG1      GLU 107  15.911 -10.233   0.479
  861    H    GLY 108           HN       GLY 108  12.520 -11.314   3.955
  862    HA2  GLY 108           HA2      GLY 108  12.326 -12.130   6.185
  863    HA3  GLY 108           HA1      GLY 108  13.669 -11.101   6.649
  864    H    MET 109           HN       MET 109  11.946  -9.119   4.784
  865    HA   MET 109           HA       MET 109  10.841  -7.673   6.969
  866    HB2  MET 109           HB2      MET 109  11.634  -6.545   4.959
  867    HB3  MET 109           HB1      MET 109  10.411  -7.357   3.996
  868    HG2  MET 109           HG2      MET 109   8.682  -6.230   5.386
  869    HG3  MET 109           HG1      MET 109   9.973  -5.301   6.140
  870    HE1  MET 109           HE1      MET 109  11.461  -3.539   4.903
  871    HE2  MET 109           HE2      MET 109  11.365  -3.198   3.175
  872    HE3  MET 109           HE3      MET 109  11.963  -4.760   3.734
  873    H    GLU 110           HN       GLU 110   8.839  -7.664   7.793
  874    HA   GLU 110           HA       GLU 110   6.943  -9.614   6.744
  875    HB2  GLU 110           HB2      GLU 110   7.079  -8.109   9.358
  876    HB3  GLU 110           HB1      GLU 110   5.776  -9.210   8.927
  877    HG2  GLU 110           HG2      GLU 110   7.271 -11.067   8.851
  878    HG3  GLU 110           HG1      GLU 110   8.671 -10.013   9.033
  879    H    VAL 111           HN       VAL 111   5.766  -8.773   5.152
  880    HA   VAL 111           HA       VAL 111   4.794  -6.012   5.363
  881    HB   VAL 111           HB       VAL 111   4.295  -6.156   2.978
  882   HG11  VAL 111          HG11      VAL 111   6.588  -6.340   2.124
  883   HG12  VAL 111          HG12      VAL 111   7.085  -7.100   3.636
  884   HG13  VAL 111          HG13      VAL 111   6.522  -5.429   3.632
  885   HG21  VAL 111          HG21      VAL 111   5.388  -8.966   3.148
  886   HG22  VAL 111          HG22      VAL 111   4.957  -8.118   1.662
  887   HG23  VAL 111          HG23      VAL 111   3.709  -8.518   2.843
  888    H    GLN 112           HN       GLN 112   2.559  -5.653   4.427
  889    HA   GLN 112           HA       GLN 112   0.787  -7.768   5.451
  890    HB2  GLN 112           HB2      GLN 112   0.158  -4.836   5.072
  891    HB3  GLN 112           HB1      GLN 112  -0.862  -6.038   5.852
  892    HG2  GLN 112           HG2      GLN 112   0.681  -6.252   7.672
  893    HG3  GLN 112           HG1      GLN 112   1.847  -5.207   6.864
  894   HE21  GLN 112          HE21      GLN 112  -1.590  -4.607   6.861
  895   HE22  GLN 112          HE22      GLN 112  -1.541  -3.195   7.850
  896    H    ILE 113           HN       ILE 113   0.027  -8.976   3.797
  897    HA   ILE 113           HA       ILE 113  -0.330  -7.715   1.202
  898    HB   ILE 113           HB       ILE 113  -0.545 -10.618   2.012
  899   HG12  ILE 113          HG12      ILE 113   1.475  -9.072   0.365
  900   HG13  ILE 113          HG11      ILE 113   1.743  -9.784   1.951
  901   HG21  ILE 113          HG21      ILE 113  -2.134 -10.127   0.224
  902   HG22  ILE 113          HG22      ILE 113  -0.794 -11.102  -0.380
  903   HG23  ILE 113          HG23      ILE 113  -0.851  -9.374  -0.723
  904   HD11  ILE 113          HD11      ILE 113   1.208 -11.283  -0.602
  905   HD12  ILE 113          HD12      ILE 113   1.437 -12.013   0.988
  906   HD13  ILE 113          HD13      ILE 113   2.760 -11.131   0.222
  907    H    GLN 114           HN       GLN 114  -2.210  -7.051   0.485
  908    HA   GLN 114           HA       GLN 114  -4.516  -7.414   2.227
  909    HB2  GLN 114           HB2      GLN 114  -3.615  -5.136   1.572
  910    HB3  GLN 114           HB1      GLN 114  -4.175  -5.474  -0.059
  911    HG2  GLN 114           HG2      GLN 114  -6.430  -5.515   0.629
  912    HG3  GLN 114           HG1      GLN 114  -5.983  -5.522   2.332
  913   HE21  GLN 114          HE21      GLN 114  -5.276  -3.646   3.305
  914   HE22  GLN 114          HE22      GLN 114  -5.502  -2.088   2.581
  915    H    THR 115           HN       THR 115  -5.707  -9.117   1.679
  916    HA   THR 115           HA       THR 115  -6.118  -9.684  -1.163
  917    HB   THR 115           HB       THR 115  -6.787 -11.974  -0.385
  918    HG1  THR 115           HG1      THR 115  -6.559 -12.508   1.722
  919   HG21  THR 115          HG21      THR 115  -4.539 -11.566  -1.217
  920   HG22  THR 115          HG22      THR 115  -4.492 -12.711   0.125
  921   HG23  THR 115          HG23      THR 115  -4.029 -11.028   0.383
  922    H    TYR 116           HN       TYR 116  -8.191 -10.428  -1.837
  923    HA   TYR 116           HA       TYR 116 -10.454  -9.817  -0.091
  924    HB2  TYR 116           HB2      TYR 116 -10.155  -7.862  -1.542
  925    HB3  TYR 116           HB1      TYR 116 -10.137  -8.900  -2.962
  926    HD1  TYR 116           HD1      TYR 116 -12.081  -9.041  -4.189
  927    HD2  TYR 116           HD2      TYR 116 -12.360  -8.193  -0.030
  928    HE1  TYR 116           HE1      TYR 116 -14.521  -8.816  -4.404
  929    HE2  TYR 116           HE2      TYR 116 -14.799  -7.962  -0.234
  930    HH   TYR 116           HH       TYR 116 -16.516  -8.946  -3.018
  931    H    GLU 117           HN       GLU 117 -11.262 -11.803   0.166
  932    HA   GLU 117           HA       GLU 117 -12.202 -13.820  -0.277
  933    HB2  GLU 117           HB2      GLU 117 -12.555 -12.697  -3.065
  934    HB3  GLU 117           HB1      GLU 117 -13.386 -14.100  -2.408
  935    HG2  GLU 117           HG2      GLU 117 -13.643 -11.271  -1.414
  936    HG3  GLU 117           HG1      GLU 117 -14.813 -12.132  -2.412
  937    H    GLY 118           HN       GLY 118  -9.341 -13.486  -0.588
  938    HA2  GLY 118           HA2      GLY 118  -7.810 -15.264  -0.967
  939    HA3  GLY 118           HA1      GLY 118  -8.859 -15.862  -2.236
  940    H    GLU 119           HN       GLU 119  -8.986 -12.894  -3.126
  941    HA   GLU 119           HA       GLU 119  -6.810 -13.195  -5.020
  942    HB2  GLU 119           HB2      GLU 119  -9.080 -12.613  -5.793
  943    HB3  GLU 119           HB1      GLU 119  -9.002 -11.119  -4.869
  944    HG2  GLU 119           HG2      GLU 119  -6.955 -10.544  -6.250
  945    HG3  GLU 119           HG1      GLU 119  -7.412 -11.892  -7.291
  946    H    THR 120           HN       THR 120  -4.984 -11.969  -5.060
  947    HA   THR 120           HA       THR 120  -4.475 -10.148  -2.896
  948    HB   THR 120           HB       THR 120  -2.294  -9.769  -4.137
  949    HG1  THR 120           HG1      THR 120  -2.794 -10.340  -6.221
  950   HG21  THR 120          HG21      THR 120  -2.438 -11.352  -2.305
  951   HG22  THR 120          HG22      THR 120  -1.418 -12.017  -3.581
  952   HG23  THR 120          HG23      THR 120  -3.076 -12.589  -3.389
  953    H    ILE 121           HN       ILE 121  -5.430  -8.180  -2.929
  954    HA   ILE 121           HA       ILE 121  -5.830  -6.877  -5.502
  955    HB   ILE 121           HB       ILE 121  -7.162  -5.221  -4.334
  956   HG12  ILE 121          HG12      ILE 121  -6.491  -6.746  -1.806
  957   HG13  ILE 121          HG11      ILE 121  -5.861  -5.159  -2.229
  958   HG21  ILE 121          HG21      ILE 121  -8.171  -7.376  -5.037
  959   HG22  ILE 121          HG22      ILE 121  -9.004  -6.607  -3.688
  960   HG23  ILE 121          HG23      ILE 121  -7.937  -7.978  -3.394
  961   HD11  ILE 121          HD11      ILE 121  -7.642  -4.917  -0.647
  962   HD12  ILE 121          HD12      ILE 121  -8.724  -5.871  -1.659
  963   HD13  ILE 121          HD13      ILE 121  -8.170  -4.288  -2.205
  964    H    GLY 122           HN       GLY 122  -3.816  -6.647  -2.675
  965    HA2  GLY 122           HA2      GLY 122  -1.997  -4.942  -4.073
  966    HA3  GLY 122           HA1      GLY 122  -2.864  -4.067  -2.825
  967    H    VAL 123           HN       VAL 123  -0.178  -4.242  -2.709
  968    HA   VAL 123           HA       VAL 123   0.217  -6.006  -0.382
  969    HB   VAL 123           HB       VAL 123   2.341  -5.231  -2.391
  970   HG11  VAL 123          HG11      VAL 123   3.249  -5.468  -0.164
  971   HG12  VAL 123          HG12      VAL 123   3.736  -6.850  -1.147
  972   HG13  VAL 123          HG13      VAL 123   2.437  -7.019   0.034
  973   HG21  VAL 123          HG21      VAL 123   2.349  -7.588  -3.035
  974   HG22  VAL 123          HG22      VAL 123   0.771  -6.857  -3.325
  975   HG23  VAL 123          HG23      VAL 123   1.015  -7.902  -1.926
  976    H    GLU 124           HN       GLU 124   0.574  -4.893   1.425
  977    HA   GLU 124           HA       GLU 124   1.325  -2.076   1.163
  978    HB2  GLU 124           HB2      GLU 124   0.118  -3.500   3.532
  979    HB3  GLU 124           HB1      GLU 124   0.358  -1.768   3.360
  980    HG2  GLU 124           HG2      GLU 124  -1.169  -1.935   1.318
  981    HG3  GLU 124           HG1      GLU 124  -1.596  -3.531   1.931
  982    H    LEU 125           HN       LEU 125   3.419  -1.747   1.389
  983    HA   LEU 125           HA       LEU 125   5.107  -3.429   3.001
  984    HB2  LEU 125           HB2      LEU 125   5.721  -0.734   1.777
  985    HB3  LEU 125           HB1      LEU 125   6.885  -1.909   2.353
  986    HG   LEU 125           HG       LEU 125   5.061  -2.274  -0.027
  987   HD11  LEU 125          HD11      LEU 125   7.121  -2.116  -1.336
  988   HD12  LEU 125          HD12      LEU 125   8.026  -1.758   0.135
  989   HD13  LEU 125          HD13      LEU 125   6.800  -0.628  -0.444
  990   HD21  LEU 125          HD21      LEU 125   7.257  -4.026   1.070
  991   HD22  LEU 125          HD22      LEU 125   6.421  -4.273  -0.464
  992   HD23  LEU 125          HD23      LEU 125   5.531  -4.394   1.055
  993    HA   PRO 126           HA       PRO 126   4.797  -1.308   6.928
  994    HB2  PRO 126           HB2      PRO 126   7.533  -1.036   7.448
  995    HB3  PRO 126           HB1      PRO 126   6.531  -2.416   7.907
  996    HG2  PRO 126           HG2      PRO 126   8.355  -2.090   5.571
  997    HG3  PRO 126           HG1      PRO 126   8.027  -3.531   6.552
  998    HD2  PRO 126           HD2      PRO 126   6.972  -3.245   4.108
  999    HD3  PRO 126           HD1      PRO 126   6.046  -3.996   5.426
 1000    H    LYS 127           HN       LYS 127   4.878   0.797   7.657
 1001    HA   LYS 127           HA       LYS 127   5.043   2.738   5.618
 1002    HB2  LYS 127           HB2      LYS 127   4.790   3.118   8.603
 1003    HB3  LYS 127           HB1      LYS 127   4.569   4.384   7.407
 1004    HG2  LYS 127           HG2      LYS 127   2.872   1.930   7.793
 1005    HG3  LYS 127           HG1      LYS 127   2.419   3.606   8.097
 1006    HD2  LYS 127           HD2      LYS 127   3.076   2.412   5.403
 1007    HD3  LYS 127           HD1      LYS 127   1.460   2.776   6.000
 1008    HE2  LYS 127           HE2      LYS 127   3.636   4.829   5.627
 1009    HE3  LYS 127           HE1      LYS 127   2.389   4.480   4.434
 1010    HZ1  LYS 127           HZ1      LYS 127   0.723   5.100   6.112
 1011    HZ2  LYS 127           HZ2      LYS 127   1.757   6.380   5.715
 1012    HZ3  LYS 127           HZ3      LYS 127   1.965   5.540   7.173
 1013    H    THR 128           HN       THR 128   7.388   1.605   7.889
 1014    HA   THR 128           HA       THR 128   9.217   3.658   6.848
 1015    HB   THR 128           HB       THR 128  10.512   3.403   9.007
 1016    HG1  THR 128           HG1      THR 128   8.665   1.538   9.442
 1017   HG21  THR 128          HG21      THR 128   7.712   4.521   9.170
 1018   HG22  THR 128          HG22      THR 128   9.136   5.371   8.567
 1019   HG23  THR 128          HG23      THR 128   9.033   4.915  10.270
 1020    H    VAL 129           HN       VAL 129  10.534   2.727   5.465
 1021    HA   VAL 129           HA       VAL 129  11.696   0.106   6.156
 1022    HB   VAL 129           HB       VAL 129  10.407   0.066   4.063
 1023   HG11  VAL 129          HG11      VAL 129  10.625   2.389   3.394
 1024   HG12  VAL 129          HG12      VAL 129  11.178   1.328   2.098
 1025   HG13  VAL 129          HG13      VAL 129  12.352   2.166   3.112
 1026   HG21  VAL 129          HG21      VAL 129  13.385  -0.150   3.633
 1027   HG22  VAL 129          HG22      VAL 129  12.147  -0.858   2.595
 1028   HG23  VAL 129          HG23      VAL 129  12.324  -1.412   4.260
 1029    H    GLU 130           HN       GLU 130  13.939  -0.065   6.218
 1030    HA   GLU 130           HA       GLU 130  15.380   2.427   5.683
 1031    HB2  GLU 130           HB2      GLU 130  17.145   1.420   7.283
 1032    HB3  GLU 130           HB1      GLU 130  15.716   2.183   7.945
 1033    HG2  GLU 130           HG2      GLU 130  15.970   0.279   9.228
 1034    HG3  GLU 130           HG1      GLU 130  14.733  -0.174   8.063
 1035    H    LEU 131           HN       LEU 131  16.842   2.492   4.196
 1036    HA   LEU 131           HA       LEU 131  17.876  -0.032   3.095
 1037    HB2  LEU 131           HB2      LEU 131  16.821   2.341   1.542
 1038    HB3  LEU 131           HB1      LEU 131  17.651   0.979   0.820
 1039    HG   LEU 131           HG       LEU 131  14.987   0.869   2.243
 1040   HD11  LEU 131          HD11      LEU 131  14.100   0.382   0.009
 1041   HD12  LEU 131          HD12      LEU 131  15.703   0.647  -0.678
 1042   HD13  LEU 131          HD13      LEU 131  14.839   1.981   0.092
 1043   HD21  LEU 131          HD21      LEU 131  16.230  -1.198   2.540
 1044   HD22  LEU 131          HD22      LEU 131  16.538  -1.283   0.808
 1045   HD23  LEU 131          HD23      LEU 131  14.893  -1.440   1.420
 1046    H    THR 132           HN       THR 132  19.972   0.047   2.333
 1047    HA   THR 132           HA       THR 132  21.565   2.304   3.204
 1048    HB   THR 132           HB       THR 132  22.674   0.019   1.625
 1049    HG1  THR 132           HG1      THR 132  21.271  -0.930   3.195
 1050   HG21  THR 132          HG21      THR 132  23.689   1.527   4.036
 1051   HG22  THR 132          HG22      THR 132  24.122   1.882   2.364
 1052   HG23  THR 132          HG23      THR 132  24.588   0.342   3.089
 1053    H    VAL 133           HN       VAL 133  22.360   3.885   1.906
 1054    HA   VAL 133           HA       VAL 133  21.590   3.831  -0.882
 1055    HB   VAL 133           HB       VAL 133  21.218   5.913   0.247
 1056   HG11  VAL 133          HG11      VAL 133  23.038   7.291   1.133
 1057   HG12  VAL 133          HG12      VAL 133  24.170   5.972   0.826
 1058   HG13  VAL 133          HG13      VAL 133  22.874   5.765   2.004
 1059   HG21  VAL 133          HG21      VAL 133  23.537   6.174  -1.659
 1060   HG22  VAL 133          HG22      VAL 133  22.400   7.454  -1.229
 1061   HG23  VAL 133          HG23      VAL 133  21.836   6.029  -2.105
 1062    H    THR 134           HN       THR 134  22.780   2.751  -2.211
 1063    HA   THR 134           HA       THR 134  25.714   2.945  -2.034
 1064    HB   THR 134           HB       THR 134  25.698   0.781  -3.346
 1065    HG1  THR 134           HG1      THR 134  23.391   1.074  -3.929
 1066   HG21  THR 134          HG21      THR 134  25.244  -0.635  -1.395
 1067   HG22  THR 134          HG22      THR 134  24.420   0.711  -0.609
 1068   HG23  THR 134          HG23      THR 134  26.149   0.808  -0.940
 1069    H    GLU 135           HN       GLU 135  26.654   3.954  -3.683
 1070    HA   GLU 135           HA       GLU 135  27.079   4.862  -5.706
 1071    HB2  GLU 135           HB2      GLU 135  24.764   3.150  -6.542
 1072    HB3  GLU 135           HB1      GLU 135  25.419   4.355  -7.639
 1073    HG2  GLU 135           HG2      GLU 135  26.422   2.267  -8.154
 1074    HG3  GLU 135           HG1      GLU 135  27.643   3.280  -7.395
 1075    H    THR 136           HN       THR 136  26.755   6.800  -4.717
 1076    HA   THR 136           HA       THR 136  24.720   8.379  -6.047
 1077    HB   THR 136           HB       THR 136  23.745   7.853  -3.783
 1078    HG1  THR 136           HG1      THR 136  23.080   9.755  -4.740
 1079   HG21  THR 136          HG21      THR 136  24.711   8.996  -1.820
 1080   HG22  THR 136          HG22      THR 136  26.110   9.450  -2.793
 1081   HG23  THR 136          HG23      THR 136  25.782   7.750  -2.461
 1082    H    GLU 137           HN       GLU 137  25.371  10.698  -6.024
 1083    HA   GLU 137           HA       GLU 137  28.239  10.822  -6.379
 1084    HB2  GLU 137           HB2      GLU 137  26.130  12.958  -6.769
 1085    HB3  GLU 137           HB1      GLU 137  27.807  13.067  -7.273
 1086    HG2  GLU 137           HG2      GLU 137  25.813  11.068  -8.311
 1087    HG3  GLU 137           HG1      GLU 137  26.300  12.550  -9.130
 1088    HA   PRO 138           HA       PRO 138  28.501  12.528  -2.229
 1089    HB2  PRO 138           HB2      PRO 138  30.989  11.737  -1.698
 1090    HB3  PRO 138           HB1      PRO 138  29.663  10.571  -1.795
 1091    HG2  PRO 138           HG2      PRO 138  31.820  11.157  -3.762
 1092    HG3  PRO 138           HG1      PRO 138  31.032   9.617  -3.383
 1093    HD2  PRO 138           HD2      PRO 138  30.436  11.321  -5.547
 1094    HD3  PRO 138           HD1      PRO 138  29.470   9.941  -4.993
 1095    H    GLY 139           HN       GLY 139  29.868  14.092  -1.121
 1096    HA2  GLY 139           HA2      GLY 139  31.461  15.782  -0.984
 1097    HA3  GLY 139           HA1      GLY 139  31.873  15.502  -2.667
 1098    H    ILE 140           HN       ILE 140  28.588  15.742  -2.587
 1099    HA   ILE 140           HA       ILE 140  28.724  18.355  -3.784
 1100    HB   ILE 140           HB       ILE 140  26.336  16.573  -3.289
 1101   HG12  ILE 140          HG12      ILE 140  27.985  17.119  -5.770
 1102   HG13  ILE 140          HG11      ILE 140  27.962  15.619  -4.852
 1103   HG21  ILE 140          HG21      ILE 140  25.158  18.032  -4.871
 1104   HG22  ILE 140          HG22      ILE 140  26.566  19.091  -4.939
 1105   HG23  ILE 140          HG23      ILE 140  25.668  18.915  -3.433
 1106   HD11  ILE 140          HD11      ILE 140  25.646  15.256  -5.474
 1107   HD12  ILE 140          HD12      ILE 140  26.655  15.463  -6.903
 1108   HD13  ILE 140          HD13      ILE 140  25.627  16.786  -6.350
 1109    H    LYS 141           HN       LYS 141  29.082  19.926  -2.391
 1110    HA   LYS 141           HA       LYS 141  27.916  20.064   0.219
 1111    HB2  LYS 141           HB2      LYS 141  29.357  22.166  -1.407
 1112    HB3  LYS 141           HB1      LYS 141  28.983  22.289   0.305
 1113    HG2  LYS 141           HG2      LYS 141  30.460  20.472   0.819
 1114    HG3  LYS 141           HG1      LYS 141  30.735  20.156  -0.895
 1115    HD2  LYS 141           HD2      LYS 141  31.482  22.699   0.551
 1116    HD3  LYS 141           HD1      LYS 141  32.597  21.392   0.150
 1117    HE2  LYS 141           HE2      LYS 141  32.050  21.726  -2.245
 1118    HE3  LYS 141           HE1      LYS 141  31.049  23.103  -1.797
 1119    HZ1  LYS 141           HZ1      LYS 141  33.252  23.783  -2.525
 1120    HZ2  LYS 141           HZ2      LYS 141  33.967  22.866  -1.299
 1121    HZ3  LYS 141           HZ3      LYS 141  32.998  24.198  -0.905
 1122    H    GLY 142           HN       GLY 142  27.207  21.347  -2.936
 1123    HA2  GLY 142           HA2      GLY 142  24.840  21.902  -3.366
 1124    HA3  GLY 142           HA1      GLY 142  24.857  22.747  -1.822
 1125    H    ASP 143           HN       ASP 143  27.745  23.479  -2.686
 1126    HA   ASP 143           HA       ASP 143  27.167  26.092  -3.607
 1127    HB2  ASP 143           HB2      ASP 143  29.164  25.609  -2.281
 1128    HB3  ASP 143           HB1      ASP 143  29.782  24.566  -3.558
 1129    H    THR 144           HN       THR 144  26.792  26.795  -5.582
 1130    HA   THR 144           HA       THR 144  26.228  26.735  -7.771
 1131    HB   THR 144           HB       THR 144  28.016  26.084  -9.377
 1132    HG1  THR 144           HG1      THR 144  28.976  24.763  -7.219
 1133   HG21  THR 144          HG21      THR 144  28.900  27.826  -7.079
 1134   HG22  THR 144          HG22      THR 144  27.923  28.337  -8.456
 1135   HG23  THR 144          HG23      THR 144  29.596  27.830  -8.700
 1136    H    ALA 145           HN       ALA 145  25.252  24.604  -6.254
 1137    HA   ALA 145           HA       ALA 145  24.363  22.876  -8.343
 1138    HB1  ALA 145           HB1      ALA 145  26.496  21.771  -7.869
 1139    HB2  ALA 145           HB2      ALA 145  25.141  20.762  -7.363
 1140    HB3  ALA 145           HB3      ALA 145  26.067  21.661  -6.161
 1141    H    THR 146           HN       THR 146  23.238  24.711  -6.505
 1142    HA   THR 146           HA       THR 146  22.202  23.346  -4.212
 1143    HB   THR 146           HB       THR 146  21.223  25.972  -5.337
 1144    HG1  THR 146           HG1      THR 146  23.645  25.293  -4.149
 1145   HG21  THR 146          HG21      THR 146  20.717  26.462  -2.990
 1146   HG22  THR 146          HG22      THR 146  21.329  24.876  -2.522
 1147   HG23  THR 146          HG23      THR 146  19.883  25.003  -3.524
 1148    H    GLY 147           HN       GLY 147  21.225  21.549  -5.356
 1149    HA2  GLY 147           HA2      GLY 147  18.632  22.187  -6.589
 1150    HA3  GLY 147           HA1      GLY 147  19.457  20.634  -6.685
 1151    H    ALA 148           HN       ALA 148  16.812  20.722  -5.956
 1152    HA   ALA 148           HA       ALA 148  16.370  20.917  -3.178
 1153    HB1  ALA 148           HB1      ALA 148  14.277  19.767  -3.592
 1154    HB2  ALA 148           HB2      ALA 148  14.835  19.283  -5.193
 1155    HB3  ALA 148           HB3      ALA 148  14.563  20.988  -4.832
 1156    H    THR 149           HN       THR 149  17.086  18.146  -5.267
 1157    HA   THR 149           HA       THR 149  18.126  16.698  -2.967
 1158    HB   THR 149           HB       THR 149  16.878  14.613  -3.839
 1159    HG1  THR 149           HG1      THR 149  15.643  16.671  -5.247
 1160   HG21  THR 149          HG21      THR 149  15.374  16.789  -2.384
 1161   HG22  THR 149          HG22      THR 149  16.451  15.600  -1.652
 1162   HG23  THR 149          HG23      THR 149  14.937  15.081  -2.393
 1163    H    LYS 150           HN       LYS 150  18.910  14.475  -3.799
 1164    HA   LYS 150           HA       LYS 150  20.279  14.806  -6.377
 1165    HB2  LYS 150           HB2      LYS 150  21.860  15.305  -4.652
 1166    HB3  LYS 150           HB1      LYS 150  21.361  13.915  -3.706
 1167    HG2  LYS 150           HG2      LYS 150  22.312  12.429  -5.393
 1168    HG3  LYS 150           HG1      LYS 150  22.808  13.833  -6.343
 1169    HD2  LYS 150           HD2      LYS 150  24.691  13.031  -5.060
 1170    HD3  LYS 150           HD1      LYS 150  24.176  14.596  -4.433
 1171    HE2  LYS 150           HE2      LYS 150  22.953  13.455  -2.632
 1172    HE3  LYS 150           HE1      LYS 150  23.512  11.902  -3.249
 1173    HZ1  LYS 150           HZ1      LYS 150  24.930  12.518  -1.469
 1174    HZ2  LYS 150           HZ2      LYS 150  25.156  14.078  -2.084
 1175    HZ3  LYS 150           HZ3      LYS 150  25.820  12.751  -2.896
 1176    H    SER 151           HN       SER 151  20.300  13.003  -7.652
 1177    HA   SER 151           HA       SER 151  18.535  10.873  -6.969
 1178    HB2  SER 151           HB2      SER 151  19.282   9.949  -9.189
 1179    HB3  SER 151           HB1      SER 151  18.659  11.598  -9.261
 1180    HG   SER 151           HG       SER 151  21.422  11.086  -8.942
 1181    H    ALA 152           HN       ALA 152  18.997   9.154  -5.825
 1182    HA   ALA 152           HA       ALA 152  21.793   8.209  -5.720
 1183    HB1  ALA 152           HB1      ALA 152  21.203   9.317  -3.639
 1184    HB2  ALA 152           HB2      ALA 152  21.379   7.582  -3.379
 1185    HB3  ALA 152           HB3      ALA 152  19.771   8.298  -3.483
 1186    H    THR 153           HN       THR 153  22.037   5.936  -5.227
 1187    HA   THR 153           HA       THR 153  19.711   4.310  -6.016
 1188    HB   THR 153           HB       THR 153  22.530   3.275  -5.999
 1189    HG1  THR 153           HG1      THR 153  22.721   5.113  -7.257
 1190   HG21  THR 153          HG21      THR 153  20.119   2.678  -7.721
 1191   HG22  THR 153          HG22      THR 153  20.688   1.702  -6.367
 1192   HG23  THR 153          HG23      THR 153  21.681   1.863  -7.816
 1193    H    VAL 154           HN       VAL 154  18.958   2.820  -4.539
 1194    HA   VAL 154           HA       VAL 154  20.509   2.564  -2.071
 1195    HB   VAL 154           HB       VAL 154  18.391   1.463  -1.159
 1196   HG11  VAL 154          HG11      VAL 154  18.360   4.351  -2.017
 1197   HG12  VAL 154          HG12      VAL 154  19.052   3.699  -0.533
 1198   HG13  VAL 154          HG13      VAL 154  17.306   3.655  -0.787
 1199   HG21  VAL 154          HG21      VAL 154  17.248   2.699  -3.666
 1200   HG22  VAL 154          HG22      VAL 154  16.307   2.064  -2.315
 1201   HG23  VAL 154          HG23      VAL 154  17.306   0.978  -3.281
 1202    H    GLU 155           HN       GLU 155  20.041   0.291  -0.994
 1203    HA   GLU 155           HA       GLU 155  21.540  -1.583  -2.353
 1204    HB2  GLU 155           HB2      GLU 155  20.690  -3.198  -0.649
 1205    HB3  GLU 155           HB1      GLU 155  21.305  -1.694   0.020
 1206    HG2  GLU 155           HG2      GLU 155  18.971  -0.869   0.163
 1207    HG3  GLU 155           HG1      GLU 155  18.425  -2.468  -0.344
 1208    H    THR 156           HN       THR 156  18.105  -1.028  -2.522
 1209    HA   THR 156           HA       THR 156  17.450  -3.566  -3.656
 1210    HB   THR 156           HB       THR 156  15.234  -2.592  -4.070
 1211    HG1  THR 156           HG1      THR 156  14.857  -0.445  -3.802
 1212   HG21  THR 156          HG21      THR 156  14.628  -2.122  -1.769
 1213   HG22  THR 156          HG22      THR 156  16.311  -1.789  -1.365
 1214   HG23  THR 156          HG23      THR 156  15.821  -3.421  -1.809
 1215    H    GLY 157           HN       GLY 157  19.013  -0.886  -4.895
 1216    HA2  GLY 157           HA2      GLY 157  19.779  -0.581  -7.079
 1217    HA3  GLY 157           HA1      GLY 157  18.620  -1.783  -7.630
 1218    H    TYR 158           HN       TYR 158  17.151   0.403  -5.596
 1219    HA   TYR 158           HA       TYR 158  15.713   1.569  -7.813
 1220    HB2  TYR 158           HB2      TYR 158  14.563   0.693  -5.776
 1221    HB3  TYR 158           HB1      TYR 158  15.309   1.993  -4.857
 1222    HD1  TYR 158           HD1      TYR 158  13.080   1.393  -7.779
 1223    HD2  TYR 158           HD2      TYR 158  14.227   4.040  -4.654
 1224    HE1  TYR 158           HE1      TYR 158  11.192   2.862  -8.339
 1225    HE2  TYR 158           HE2      TYR 158  12.342   5.516  -5.207
 1226    HH   TYR 158           HH       TYR 158  10.904   6.014  -7.180
 1227    H    THR 159           HN       THR 159  15.708   3.678  -8.403
 1228    HA   THR 159           HA       THR 159  17.759   5.404  -7.256
 1229    HB   THR 159           HB       THR 159  16.015   5.955  -9.658
 1230    HG1  THR 159           HG1      THR 159  18.661   4.894  -9.659
 1231   HG21  THR 159          HG21      THR 159  17.855   7.484 -10.270
 1232   HG22  THR 159          HG22      THR 159  18.661   7.097  -8.751
 1233   HG23  THR 159          HG23      THR 159  17.105   7.926  -8.736
 1234    H    LEU 160           HN       LEU 160  17.165   6.732  -5.652
 1235    HA   LEU 160           HA       LEU 160  14.543   8.023  -5.827
 1236    HB2  LEU 160           HB2      LEU 160  13.968   7.623  -3.591
 1237    HB3  LEU 160           HB1      LEU 160  14.502   6.084  -4.213
 1238    HG   LEU 160           HG       LEU 160  15.362   6.110  -2.079
 1239   HD11  LEU 160          HD11      LEU 160  17.762   6.335  -2.194
 1240   HD12  LEU 160          HD12      LEU 160  17.624   7.259  -3.688
 1241   HD13  LEU 160          HD13      LEU 160  17.131   5.564  -3.651
 1242   HD21  LEU 160          HD21      LEU 160  14.781   8.366  -1.483
 1243   HD22  LEU 160          HD22      LEU 160  16.118   8.997  -2.445
 1244   HD23  LEU 160          HD23      LEU 160  16.446   8.025  -1.009
 1245    H    ASN 161           HN       ASN 161  14.427   9.982  -4.388
 1246    HA   ASN 161           HA       ASN 161  16.906  11.437  -4.891
 1247    HB2  ASN 161           HB2      ASN 161  15.550  13.471  -4.738
 1248    HB3  ASN 161           HB1      ASN 161  14.879  12.345  -5.904
 1249   HD21  ASN 161          HD21      ASN 161  13.712  14.572  -4.324
 1250   HD22  ASN 161          HD22      ASN 161  12.339  13.885  -3.522
 1251    H    VAL 162           HN       VAL 162  18.272  11.629  -3.295
 1252    HA   VAL 162           HA       VAL 162  17.287  11.940  -0.539
 1253    HB   VAL 162           HB       VAL 162  19.574  11.314   0.170
 1254   HG11  VAL 162          HG11      VAL 162  19.469   8.948  -0.422
 1255   HG12  VAL 162          HG12      VAL 162  18.307   9.319  -1.696
 1256   HG13  VAL 162          HG13      VAL 162  17.876   9.581  -0.007
 1257   HG21  VAL 162          HG21      VAL 162  21.146  10.378  -1.480
 1258   HG22  VAL 162          HG22      VAL 162  20.825  12.091  -1.755
 1259   HG23  VAL 162          HG23      VAL 162  20.056  10.875  -2.773
 1260    HA   PRO 163           HA       PRO 163  18.757  16.167  -0.403
 1261    HB2  PRO 163           HB2      PRO 163  19.901  15.404   2.241
 1262    HB3  PRO 163           HB1      PRO 163  18.825  16.743   1.828
 1263    HG2  PRO 163           HG2      PRO 163  17.896  14.602   3.106
 1264    HG3  PRO 163           HG1      PRO 163  16.932  15.403   1.851
 1265    HD2  PRO 163           HD2      PRO 163  18.492  12.859   1.712
 1266    HD3  PRO 163           HD1      PRO 163  16.933  13.271   0.971
 1267    H    LEU 164           HN       LEU 164  20.715  17.335  -0.502
 1268    HA   LEU 164           HA       LEU 164  22.598  15.986  -2.051
 1269    HB2  LEU 164           HB2      LEU 164  22.970  18.655  -0.702
 1270    HB3  LEU 164           HB1      LEU 164  23.823  18.069  -2.115
 1271    HG   LEU 164           HG       LEU 164  20.894  18.774  -1.955
 1272   HD11  LEU 164          HD11      LEU 164  23.163  20.074  -3.446
 1273   HD12  LEU 164          HD12      LEU 164  22.430  20.681  -1.963
 1274   HD13  LEU 164          HD13      LEU 164  21.475  20.590  -3.443
 1275   HD21  LEU 164          HD21      LEU 164  22.526  17.677  -4.236
 1276   HD22  LEU 164          HD22      LEU 164  20.936  18.417  -4.418
 1277   HD23  LEU 164          HD23      LEU 164  21.114  16.941  -3.472
 1278    H    PHE 165           HN       PHE 165  22.539  16.384   1.376
 1279    HA   PHE 165           HA       PHE 165  25.409  16.160   1.665
 1280    HB2  PHE 165           HB2      PHE 165  24.913  16.245   4.120
 1281    HB3  PHE 165           HB1      PHE 165  24.334  17.632   3.207
 1282    HD1  PHE 165           HD1      PHE 165  23.238  14.431   4.746
 1283    HD2  PHE 165           HD2      PHE 165  22.092  18.257   3.271
 1284    HE1  PHE 165           HE1      PHE 165  20.985  14.112   5.675
 1285    HE2  PHE 165           HE2      PHE 165  19.836  17.940   4.199
 1286    HZ   PHE 165           HZ       PHE 165  19.281  15.866   5.401
 1287    H    VAL 166           HN       VAL 166  22.929  13.951   1.250
 1288    HA   VAL 166           HA       VAL 166  23.786  11.911   3.058
 1289    HB   VAL 166           HB       VAL 166  22.140  11.680   0.532
 1290   HG11  VAL 166          HG11      VAL 166  21.400   9.528   1.425
 1291   HG12  VAL 166          HG12      VAL 166  22.505   9.714   2.789
 1292   HG13  VAL 166          HG13      VAL 166  23.144   9.539   1.155
 1293   HG21  VAL 166          HG21      VAL 166  21.346  11.939   3.429
 1294   HG22  VAL 166          HG22      VAL 166  20.235  11.553   2.117
 1295   HG23  VAL 166          HG23      VAL 166  21.062  13.110   2.141
 1296    H    ASN 167           HN       ASN 167  25.194  10.219   2.754
 1297    HA   ASN 167           HA       ASN 167  26.809  10.336   0.290
 1298    HB2  ASN 167           HB2      ASN 167  27.784  11.300   2.520
 1299    HB3  ASN 167           HB1      ASN 167  27.981   9.611   2.956
 1300   HD21  ASN 167          HD21      ASN 167  30.001  11.624   2.573
 1301   HD22  ASN 167          HD22      ASN 167  31.046  11.050   1.318
 1302    H    GLU 168           HN       GLU 168  28.073   8.311  -0.057
 1303    HA   GLU 168           HA       GLU 168  26.358   6.094  -0.201
 1304    HB2  GLU 168           HB2      GLU 168  29.373   6.060  -0.362
 1305    HB3  GLU 168           HB1      GLU 168  28.265   4.894  -1.068
 1306    HG2  GLU 168           HG2      GLU 168  27.444   6.559  -2.613
 1307    HG3  GLU 168           HG1      GLU 168  28.463   7.789  -1.865
 1308    H    GLY 169           HN       GLY 169  25.896   4.530   1.222
 1309    HA2  GLY 169           HA2      GLY 169  26.705   2.862   2.787
 1310    HA3  GLY 169           HA1      GLY 169  27.795   4.079   3.431
 1311    H    ASP 170           HN       ASP 170  25.404   6.004   3.155
 1312    HA   ASP 170           HA       ASP 170  24.541   5.846   5.830
 1313    HB2  ASP 170           HB2      ASP 170  23.679   7.450   3.463
 1314    HB3  ASP 170           HB1      ASP 170  22.661   7.437   4.898
 1315    H    VAL 171           HN       VAL 171  22.806   4.959   6.785
 1316    HA   VAL 171           HA       VAL 171  20.970   3.393   5.127
 1317    HB   VAL 171           HB       VAL 171  21.263   3.457   8.142
 1318   HG11  VAL 171          HG11      VAL 171  19.008   2.851   7.473
 1319   HG12  VAL 171          HG12      VAL 171  19.858   1.435   8.097
 1320   HG13  VAL 171          HG13      VAL 171  19.642   1.640   6.358
 1321   HG21  VAL 171          HG21      VAL 171  22.194   1.401   6.137
 1322   HG22  VAL 171          HG22      VAL 171  22.304   1.254   7.891
 1323   HG23  VAL 171          HG23      VAL 171  23.225   2.501   7.051
 1324    H    LEU 172           HN       LEU 172  19.399   4.624   4.357
 1325    HA   LEU 172           HA       LEU 172  18.328   6.766   6.040
 1326    HB2  LEU 172           HB2      LEU 172  17.325   7.642   3.968
 1327    HB3  LEU 172           HB1      LEU 172  19.071   7.521   3.885
 1328    HG   LEU 172           HG       LEU 172  17.494   5.249   2.783
 1329   HD11  LEU 172          HD11      LEU 172  17.217   6.407   0.648
 1330   HD12  LEU 172          HD12      LEU 172  17.813   7.897   1.379
 1331   HD13  LEU 172          HD13      LEU 172  16.294   7.192   1.930
 1332   HD21  LEU 172          HD21      LEU 172  19.986   6.707   1.902
 1333   HD22  LEU 172          HD22      LEU 172  19.319   5.259   1.149
 1334   HD23  LEU 172          HD23      LEU 172  19.935   5.190   2.798
 1335    H    ILE 173           HN       ILE 173  16.194   6.924   6.555
 1336    HA   ILE 173           HA       ILE 173  14.609   4.510   6.082
 1337    HB   ILE 173           HB       ILE 173  14.090   6.767   8.026
 1338   HG12  ILE 173          HG12      ILE 173  15.185   3.992   8.531
 1339   HG13  ILE 173          HG11      ILE 173  16.133   5.473   8.558
 1340   HG21  ILE 173          HG21      ILE 173  12.454   5.239   9.023
 1341   HG22  ILE 173          HG22      ILE 173  12.788   4.057   7.759
 1342   HG23  ILE 173          HG23      ILE 173  12.053   5.605   7.345
 1343   HD11  ILE 173          HD11      ILE 173  13.856   4.813  10.411
 1344   HD12  ILE 173          HD12      ILE 173  14.837   6.278  10.451
 1345   HD13  ILE 173          HD13      ILE 173  15.573   4.713  10.801
 1346    H    ILE 174           HN       ILE 174  12.729   4.564   4.908
 1347    HA   ILE 174           HA       ILE 174  11.811   7.209   3.978
 1348    HB   ILE 174           HB       ILE 174  11.852   4.677   2.313
 1349   HG12  ILE 174          HG12      ILE 174  13.529   7.184   2.036
 1350   HG13  ILE 174          HG11      ILE 174  14.112   5.645   2.660
 1351   HG21  ILE 174          HG21      ILE 174   9.969   6.155   1.800
 1352   HG22  ILE 174          HG22      ILE 174  11.133   6.120   0.475
 1353   HG23  ILE 174          HG23      ILE 174  11.084   7.502   1.568
 1354   HD11  ILE 174          HD11      ILE 174  13.074   6.131  -0.122
 1355   HD12  ILE 174          HD12      ILE 174  13.687   4.600   0.504
 1356   HD13  ILE 174          HD13      ILE 174  14.768   5.985   0.343
 1357    H    ASN 175           HN       ASN 175   9.653   7.549   4.061
 1358    HA   ASN 175           HA       ASN 175   8.008   5.574   5.359
 1359    HB2  ASN 175           HB2      ASN 175   7.750   7.967   5.900
 1360    HB3  ASN 175           HB1      ASN 175   7.278   8.287   4.234
 1361   HD21  ASN 175          HD21      ASN 175   6.319   6.977   7.278
 1362   HD22  ASN 175          HD22      ASN 175   4.644   6.782   6.900
 1363    H    THR 176           HN       THR 176   7.825   3.880   3.921
 1364    HA   THR 176           HA       THR 176   7.006   4.273   1.205
 1365    HB   THR 176           HB       THR 176   6.447   1.635   1.819
 1366    HG1  THR 176           HG1      THR 176   7.350   1.421   3.762
 1367   HG21  THR 176          HG21      THR 176   7.731   2.442  -0.102
 1368   HG22  THR 176          HG22      THR 176   8.598   1.159   0.741
 1369   HG23  THR 176          HG23      THR 176   9.081   2.841   0.961
 1370    H    GLY 177           HN       GLY 177   5.040   4.696   0.529
 1371    HA2  GLY 177           HA2      GLY 177   2.658   3.862   0.647
 1372    HA3  GLY 177           HA1      GLY 177   2.792   4.187   2.370
 1373    H    ASP 178           HN       ASP 178   4.055   6.570   2.488
 1374    HA   ASP 178           HA       ASP 178   2.190   8.366   1.090
 1375    HB2  ASP 178           HB2      ASP 178   3.801   8.844   3.606
 1376    HB3  ASP 178           HB1      ASP 178   2.787  10.043   2.819
 1377    H    GLY 179           HN       GLY 179   5.505   7.528   1.533
 1378    HA2  GLY 179           HA2      GLY 179   7.211   7.966   0.009
 1379    HA3  GLY 179           HA1      GLY 179   6.205   9.203  -0.731
 1380    H    SER 180           HN       SER 180   6.386   9.393   2.642
 1381    HA   SER 180           HA       SER 180   7.725  11.897   2.570
 1382    HB2  SER 180           HB2      SER 180   7.187  10.197   5.009
 1383    HB3  SER 180           HB1      SER 180   7.348  11.949   4.931
 1384    HG   SER 180           HG       SER 180   5.431  11.858   3.526
 1385    H    TYR 181           HN       TYR 181   9.896  12.275   2.694
 1386    HA   TYR 181           HA       TYR 181  11.654  10.013   2.956
 1387    HB2  TYR 181           HB2      TYR 181  12.281  11.706   1.346
 1388    HB3  TYR 181           HB1      TYR 181  12.245  12.956   2.586
 1389    HD1  TYR 181           HD1      TYR 181  14.154  13.412   3.897
 1390    HD2  TYR 181           HD2      TYR 181  14.042   9.884   1.521
 1391    HE1  TYR 181           HE1      TYR 181  16.524  13.007   4.399
 1392    HE2  TYR 181           HE2      TYR 181  16.417   9.471   2.017
 1393    HH   TYR 181           HH       TYR 181  18.094  11.128   4.467
 1394    H    ILE 182           HN       ILE 182  12.475   9.278   4.735
 1395    HA   ILE 182           HA       ILE 182  12.384  10.916   7.164
 1396    HB   ILE 182           HB       ILE 182  13.010   7.972   7.074
 1397   HG12  ILE 182          HG12      ILE 182  10.885   8.137   5.950
 1398   HG13  ILE 182          HG11      ILE 182  10.604   7.547   7.583
 1399   HG21  ILE 182          HG21      ILE 182  12.155   8.013   9.371
 1400   HG22  ILE 182          HG22      ILE 182  11.847   9.742   9.216
 1401   HG23  ILE 182          HG23      ILE 182  13.499   9.133   9.149
 1402   HD11  ILE 182          HD11      ILE 182   8.919   9.144   6.971
 1403   HD12  ILE 182          HD12      ILE 182  10.150  10.342   6.581
 1404   HD13  ILE 182          HD13      ILE 182   9.930   9.816   8.251
 1405    H    SER 183           HN       SER 183  14.343  10.783   8.566
 1406    HA   SER 183           HA       SER 183  16.519  11.542   6.882
 1407    HB2  SER 183           HB2      SER 183  17.613  12.035   9.127
 1408    HB3  SER 183           HB1      SER 183  16.113  12.899   8.788
 1409    HG   SER 183           HG       SER 183  15.991  12.074  10.856
 1410    H    ARG 184           HN       ARG 184  18.759  10.901   7.434
 1411    HA   ARG 184           HA       ARG 184  18.984   8.021   7.296
 1412    HB2  ARG 184           HB2      ARG 184  21.355   8.477   6.772
 1413    HB3  ARG 184           HB1      ARG 184  20.267   9.380   5.724
 1414    HG2  ARG 184           HG2      ARG 184  20.621  11.385   7.041
 1415    HG3  ARG 184           HG1      ARG 184  21.651  10.492   8.156
 1416    HD2  ARG 184           HD2      ARG 184  23.216  10.040   6.311
 1417    HD3  ARG 184           HD1      ARG 184  22.196  10.993   5.233
 1418    HE   ARG 184           HE       ARG 184  22.665  12.785   7.107
 1419   HH11  ARG 184          HH11      ARG 184  24.925  10.526   5.634
 1420   HH12  ARG 184          HH12      ARG 184  26.289  11.576   5.867
 1421   HH21  ARG 184          HH21      ARG 184  24.478  14.137   7.400
 1422   HH22  ARG 184          HH22      ARG 184  26.041  13.609   6.863
 1423    H    GLY 185           HN       GLY 185  20.515   6.831   8.599
 1424    HA2  GLY 185           HA2      GLY 185  20.425   7.495  11.372
 1425    HA3  GLY 185           HA1      GLY 185  21.306   6.154  10.650
  Start of MODEL    7
    1    H1   MET   1           HT1      MET   1 -24.579  -5.953   7.878
    2    H2   MET   1           HT2      MET   1 -25.377  -7.175   7.030
    3    H3   MET   1           HT3      MET   1 -26.263  -6.061   7.944
    4    HA   MET   1           HA       MET   1 -24.652  -5.432   5.544
    5    HB2  MET   1           HB2      MET   1 -27.645  -5.578   5.964
    6    HB3  MET   1           HB1      MET   1 -26.879  -4.897   4.537
    7    HG2  MET   1           HG2      MET   1 -25.888  -7.050   4.019
    8    HG3  MET   1           HG1      MET   1 -26.604  -7.743   5.472
    9    HE1  MET   1           HE1      MET   1 -26.959  -8.972   2.512
   10    HE2  MET   1           HE2      MET   1 -28.660  -9.429   2.604
   11    HE3  MET   1           HE3      MET   1 -27.603  -9.681   3.991
   12    H    ILE   2           HN       ILE   2 -24.680  -3.253   4.912
   13    HA   ILE   2           HA       ILE   2 -25.161  -1.437   7.161
   14    HB   ILE   2           HB       ILE   2 -23.425  -1.174   4.710
   15   HG12  ILE   2          HG12      ILE   2 -21.695  -0.708   6.557
   16   HG13  ILE   2          HG11      ILE   2 -22.895  -1.359   7.668
   17   HG21  ILE   2          HG21      ILE   2 -22.787   1.052   5.495
   18   HG22  ILE   2          HG22      ILE   2 -24.008   0.948   6.764
   19   HG23  ILE   2          HG23      ILE   2 -24.498   0.971   5.069
   20   HD11  ILE   2          HD11      ILE   2 -21.698  -2.816   5.326
   21   HD12  ILE   2          HD12      ILE   2 -22.871  -3.470   6.470
   22   HD13  ILE   2          HD13      ILE   2 -21.253  -3.029   7.019
   23    H    SER   3           HN       SER   3 -26.633   0.135   7.068
   24    HA   SER   3           HA       SER   3 -28.172   0.465   4.596
   25    HB2  SER   3           HB2      SER   3 -28.772   1.493   7.388
   26    HB3  SER   3           HB1      SER   3 -29.874   1.463   6.010
   27    HG   SER   3           HG       SER   3 -28.977  -0.995   6.330
   28    H    VAL   4           HN       VAL   4 -28.735   2.740   3.994
   29    HA   VAL   4           HA       VAL   4 -26.269   4.098   3.640
   30    HB   VAL   4           HB       VAL   4 -27.488   5.712   2.303
   31   HG11  VAL   4          HG11      VAL   4 -26.904   3.610   1.258
   32   HG12  VAL   4          HG12      VAL   4 -28.461   4.170   0.648
   33   HG13  VAL   4          HG13      VAL   4 -28.395   2.876   1.843
   34   HG21  VAL   4          HG21      VAL   4 -29.898   5.637   2.055
   35   HG22  VAL   4          HG22      VAL   4 -29.475   5.911   3.746
   36   HG23  VAL   4          HG23      VAL   4 -29.999   4.312   3.214
   37    H    ASN   5           HN       ASN   5 -28.493   4.265   6.146
   38    HA   ASN   5           HA       ASN   5 -27.859   7.038   6.793
   39    HB2  ASN   5           HB2      ASN   5 -29.650   5.014   8.149
   40    HB3  ASN   5           HB1      ASN   5 -29.363   6.633   8.773
   41   HD21  ASN   5          HD21      ASN   5 -31.828   5.357   7.875
   42   HD22  ASN   5          HD22      ASN   5 -32.459   6.374   6.624
   43    H    ASP   6           HN       ASP   6 -26.070   4.457   6.926
   44    HA   ASP   6           HA       ASP   6 -24.818   5.246   9.452
   45    HB2  ASP   6           HB2      ASP   6 -26.223   3.252   9.905
   46    HB3  ASP   6           HB1      ASP   6 -25.314   2.361   8.690
   47    H    PHE   7           HN       PHE   7 -23.233   6.272   8.219
   48    HA   PHE   7           HA       PHE   7 -21.294   4.421   7.003
   49    HB2  PHE   7           HB2      PHE   7 -22.099   7.195   6.156
   50    HB3  PHE   7           HB1      PHE   7 -20.500   6.577   5.762
   51    HD1  PHE   7           HD1      PHE   7 -24.031   6.471   4.982
   52    HD2  PHE   7           HD2      PHE   7 -20.273   4.595   4.295
   53    HE1  PHE   7           HE1      PHE   7 -24.956   5.342   3.009
   54    HE2  PHE   7           HE2      PHE   7 -21.195   3.465   2.316
   55    HZ   PHE   7           HZ       PHE   7 -23.541   3.835   1.673
   56    H    LYS   8           HN       LYS   8 -19.075   4.857   7.453
   57    HA   LYS   8           HA       LYS   8 -18.760   6.466   9.899
   58    HB2  LYS   8           HB2      LYS   8 -18.565   3.997  10.222
   59    HB3  LYS   8           HB1      LYS   8 -17.205   3.992   9.110
   60    HG2  LYS   8           HG2      LYS   8 -16.333   3.950  11.316
   61    HG3  LYS   8           HG1      LYS   8 -16.033   5.558  10.657
   62    HD2  LYS   8           HD2      LYS   8 -18.147   6.296  11.828
   63    HD3  LYS   8           HD1      LYS   8 -18.134   4.738  12.652
   64    HE2  LYS   8           HE2      LYS   8 -16.006   6.871  12.764
   65    HE3  LYS   8           HE1      LYS   8 -17.104   6.404  14.061
   66    HZ1  LYS   8           HZ1      LYS   8 -14.982   4.704  12.871
   67    HZ2  LYS   8           HZ2      LYS   8 -16.061   4.210  14.077
   68    HZ3  LYS   8           HZ3      LYS   8 -14.939   5.437  14.394
   69    H    THR   9           HN       THR   9 -16.558   7.368  10.234
   70    HA   THR   9           HA       THR   9 -15.648   8.972   8.206
   71    HB   THR   9           HB       THR   9 -13.835   7.831  10.333
   72    HG1  THR   9           HG1      THR   9 -15.877   9.812  10.525
   73   HG21  THR   9          HG21      THR   9 -13.964  10.533   8.992
   74   HG22  THR   9          HG22      THR   9 -12.755   9.283   8.700
   75   HG23  THR   9          HG23      THR   9 -12.840  10.076  10.271
   76    H    GLY  10           HN       GLY  10 -14.690   5.685   8.969
   77    HA2  GLY  10           HA2      GLY  10 -13.723   5.452   6.225
   78    HA3  GLY  10           HA1      GLY  10 -12.683   4.879   7.528
   79    H    LEU  11           HN       LEU  11 -14.971   3.977   5.353
   80    HA   LEU  11           HA       LEU  11 -15.393   1.453   6.756
   81    HB2  LEU  11           HB2      LEU  11 -17.392   2.760   7.208
   82    HB3  LEU  11           HB1      LEU  11 -17.582   3.124   5.505
   83    HG   LEU  11           HG       LEU  11 -17.980   0.700   5.080
   84   HD11  LEU  11          HD11      LEU  11 -18.487  -0.757   6.977
   85   HD12  LEU  11          HD12      LEU  11 -17.979   0.515   8.088
   86   HD13  LEU  11          HD13      LEU  11 -16.806  -0.224   6.997
   87   HD21  LEU  11          HD21      LEU  11 -19.814   2.001   7.084
   88   HD22  LEU  11          HD22      LEU  11 -20.238   0.668   6.010
   89   HD23  LEU  11          HD23      LEU  11 -19.839   2.249   5.340
   90    H    THR  12           HN       THR  12 -15.349  -0.316   5.417
   91    HA   THR  12           HA       THR  12 -14.629   0.265   2.636
   92    HB   THR  12           HB       THR  12 -14.236  -2.399   3.967
   93    HG1  THR  12           HG1      THR  12 -13.287  -0.718   5.281
   94   HG21  THR  12          HG21      THR  12 -13.893  -2.156   1.516
   95   HG22  THR  12          HG22      THR  12 -12.425  -2.611   2.379
   96   HG23  THR  12          HG23      THR  12 -12.654  -0.946   1.845
   97    H    ILE  13           HN       ILE  13 -16.067  -0.111   1.105
   98    HA   ILE  13           HA       ILE  13 -18.212  -2.065   1.614
   99    HB   ILE  13           HB       ILE  13 -18.409   0.563   0.133
  100   HG12  ILE  13          HG12      ILE  13 -20.410   0.706   1.855
  101   HG13  ILE  13          HG11      ILE  13 -19.414  -0.427   2.762
  102   HG21  ILE  13          HG21      ILE  13 -20.750   0.002  -0.297
  103   HG22  ILE  13          HG22      ILE  13 -20.486  -1.601   0.386
  104   HG23  ILE  13          HG23      ILE  13 -19.645  -1.120  -1.088
  105   HD11  ILE  13          HD11      ILE  13 -17.580   1.161   2.755
  106   HD12  ILE  13          HD12      ILE  13 -19.037   1.878   3.446
  107   HD13  ILE  13          HD13      ILE  13 -18.548   2.287   1.803
  108    H    SER  14           HN       SER  14 -18.606  -3.550   0.046
  109    HA   SER  14           HA       SER  14 -16.956  -3.413  -2.362
  110    HB2  SER  14           HB2      SER  14 -17.812  -5.836  -2.596
  111    HB3  SER  14           HB1      SER  14 -16.691  -5.505  -1.279
  112    HG   SER  14           HG       SER  14 -19.524  -5.591  -1.055
  113    H    VAL  15           HN       VAL  15 -17.959  -2.191  -3.833
  114    HA   VAL  15           HA       VAL  15 -20.628  -2.940  -4.697
  115    HB   VAL  15           HB       VAL  15 -20.999  -1.203  -2.960
  116   HG11  VAL  15          HG11      VAL  15 -19.397   0.572  -4.791
  117   HG12  VAL  15          HG12      VAL  15 -18.939   0.045  -3.173
  118   HG13  VAL  15          HG13      VAL  15 -20.323   1.115  -3.392
  119   HG21  VAL  15          HG21      VAL  15 -22.428   0.272  -4.296
  120   HG22  VAL  15          HG22      VAL  15 -22.591  -1.414  -4.787
  121   HG23  VAL  15          HG23      VAL  15 -21.638  -0.299  -5.766
  122    H    ASP  16           HN       ASP  16 -21.099  -2.211  -6.825
  123    HA   ASP  16           HA       ASP  16 -20.641  -1.656  -8.985
  124    HB2  ASP  16           HB2      ASP  16 -20.104   0.558  -7.877
  125    HB3  ASP  16           HB1      ASP  16 -18.414   0.071  -7.882
  126    H    ASN  17           HN       ASN  17 -19.329  -3.843  -7.555
  127    HA   ASN  17           HA       ASN  17 -17.891  -5.529  -7.960
  128    HB2  ASN  17           HB2      ASN  17 -17.568  -4.143 -10.617
  129    HB3  ASN  17           HB1      ASN  17 -16.923  -5.739 -10.245
  130   HD21  ASN  17          HD21      ASN  17 -18.917  -4.904 -12.235
  131   HD22  ASN  17          HD22      ASN  17 -20.326  -5.850 -11.902
  132    H    ALA  18           HN       ALA  18 -16.984  -3.063  -6.683
  133    HA   ALA  18           HA       ALA  18 -14.141  -3.696  -6.784
  134    HB1  ALA  18           HB1      ALA  18 -13.489  -1.329  -6.824
  135    HB2  ALA  18           HB2      ALA  18 -15.182  -0.875  -7.044
  136    HB3  ALA  18           HB3      ALA  18 -14.348  -1.789  -8.298
  137    H    ILE  19           HN       ILE  19 -13.001  -2.622  -4.923
  138    HA   ILE  19           HA       ILE  19 -14.804  -2.545  -2.598
  139    HB   ILE  19           HB       ILE  19 -12.792  -3.141  -1.243
  140   HG12  ILE  19          HG12      ILE  19 -11.565  -3.578  -3.979
  141   HG13  ILE  19          HG11      ILE  19 -11.045  -2.398  -2.785
  142   HG21  ILE  19          HG21      ILE  19 -12.800  -5.514  -1.894
  143   HG22  ILE  19          HG22      ILE  19 -13.601  -5.083  -3.406
  144   HG23  ILE  19          HG23      ILE  19 -14.423  -4.823  -1.868
  145   HD11  ILE  19          HD11      ILE  19 -10.908  -5.387  -2.506
  146   HD12  ILE  19          HD12      ILE  19 -10.399  -4.218  -1.288
  147   HD13  ILE  19          HD13      ILE  19  -9.557  -4.303  -2.835
  148    H    TRP  20           HN       TRP  20 -14.980  -0.694  -1.510
  149    HA   TRP  20           HA       TRP  20 -13.074   1.447  -2.189
  150    HB2  TRP  20           HB2      TRP  20 -16.016   1.833  -1.658
  151    HB3  TRP  20           HB1      TRP  20 -14.870   3.028  -2.242
  152    HD1  TRP  20           HD1      TRP  20 -16.776  -0.091  -3.433
  153    HE1  TRP  20           HE1      TRP  20 -16.880  -0.053  -5.995
  154    HE3  TRP  20           HE3      TRP  20 -13.751   3.938  -4.289
  155    HZ2  TRP  20           HZ2      TRP  20 -15.815   1.495  -8.111
  156    HZ3  TRP  20           HZ3      TRP  20 -13.343   4.633  -6.613
  157    HH2  TRP  20           HH2      TRP  20 -14.355   3.435  -8.483
  158    H    LYS  21           HN       LYS  21 -12.964   3.206  -0.647
  159    HA   LYS  21           HA       LYS  21 -13.559   2.386   2.110
  160    HB2  LYS  21           HB2      LYS  21 -11.173   1.992   1.548
  161    HB3  LYS  21           HB1      LYS  21 -11.018   3.690   1.123
  162    HG2  LYS  21           HG2      LYS  21 -10.107   3.413   3.291
  163    HG3  LYS  21           HG1      LYS  21 -11.647   4.251   3.477
  164    HD2  LYS  21           HD2      LYS  21 -12.729   2.212   4.165
  165    HD3  LYS  21           HD1      LYS  21 -11.271   1.278   3.823
  166    HE2  LYS  21           HE2      LYS  21 -11.535   3.439   5.913
  167    HE3  LYS  21           HE1      LYS  21 -11.536   1.703   6.223
  168    HZ1  LYS  21           HZ1      LYS  21  -9.366   2.615   6.647
  169    HZ2  LYS  21           HZ2      LYS  21  -9.288   3.285   5.096
  170    HZ3  LYS  21           HZ3      LYS  21  -9.281   1.606   5.291
  171    H    VAL  22           HN       VAL  22 -15.082   3.789   2.714
  172    HA   VAL  22           HA       VAL  22 -15.467   6.363   1.680
  173    HB   VAL  22           HB       VAL  22 -16.361   5.230   4.335
  174   HG11  VAL  22          HG11      VAL  22 -18.012   7.061   4.348
  175   HG12  VAL  22          HG12      VAL  22 -17.246   7.745   2.912
  176   HG13  VAL  22          HG13      VAL  22 -16.357   7.664   4.432
  177   HG21  VAL  22          HG21      VAL  22 -18.496   4.914   3.206
  178   HG22  VAL  22          HG22      VAL  22 -17.212   4.056   2.355
  179   HG23  VAL  22          HG23      VAL  22 -17.825   5.583   1.720
  180    H    ILE  23           HN       ILE  23 -14.252   8.035   1.827
  181    HA   ILE  23           HA       ILE  23 -12.448   8.437   4.073
  182    HB   ILE  23           HB       ILE  23 -12.816  10.071   1.554
  183   HG12  ILE  23          HG12      ILE  23 -12.014   7.778   1.114
  184   HG13  ILE  23          HG11      ILE  23 -10.795   8.988   0.732
  185   HG21  ILE  23          HG21      ILE  23 -11.872  11.373   3.390
  186   HG22  ILE  23          HG22      ILE  23 -10.668  11.092   2.131
  187   HG23  ILE  23          HG23      ILE  23 -10.618  10.152   3.624
  188   HD11  ILE  23          HD11      ILE  23 -10.888   7.227   3.169
  189   HD12  ILE  23          HD12      ILE  23  -9.696   8.494   2.883
  190   HD13  ILE  23          HD13      ILE  23  -9.775   7.097   1.808
  191    H    ASP  24           HN       ASP  24 -15.222   9.917   2.473
  192    HA   ASP  24           HA       ASP  24 -15.994  11.286   4.888
  193    HB2  ASP  24           HB2      ASP  24 -14.289  12.816   3.886
  194    HB3  ASP  24           HB1      ASP  24 -15.302  12.934   2.450
  195    H    PHE  25           HN       PHE  25 -18.171  11.202   4.966
  196    HA   PHE  25           HA       PHE  25 -19.540  10.635   2.427
  197    HB2  PHE  25           HB2      PHE  25 -21.209   9.399   3.747
  198    HB3  PHE  25           HB1      PHE  25 -19.591   8.758   3.990
  199    HD1  PHE  25           HD1      PHE  25 -22.477  10.259   5.546
  200    HD2  PHE  25           HD2      PHE  25 -18.377   9.257   6.111
  201    HE1  PHE  25           HE1      PHE  25 -22.763  10.474   7.979
  202    HE2  PHE  25           HE2      PHE  25 -18.656   9.476   8.545
  203    HZ   PHE  25           HZ       PHE  25 -20.851  10.083   9.483
  204    H    GLN  26           HN       GLN  26 -21.297  11.785   1.809
  205    HA   GLN  26           HA       GLN  26 -22.257  13.887   3.640
  206    HB2  GLN  26           HB2      GLN  26 -22.113  13.844   0.624
  207    HB3  GLN  26           HB1      GLN  26 -22.978  15.070   1.536
  208    HG2  GLN  26           HG2      GLN  26 -20.932  15.816   2.558
  209    HG3  GLN  26           HG1      GLN  26 -20.034  14.510   1.789
  210   HE21  GLN  26          HE21      GLN  26 -19.681  17.410   1.615
  211   HE22  GLN  26          HE22      GLN  26 -19.787  17.799  -0.068
  212    H    HIS  27           HN       HIS  27 -23.994  12.885   4.578
  213    HA   HIS  27           HA       HIS  27 -25.902  11.360   3.097
  214    HB2  HIS  27           HB2      HIS  27 -25.507  11.148   5.571
  215    HB3  HIS  27           HB1      HIS  27 -26.282  12.714   5.778
  216    HD1  HIS  27           HD1      HIS  27 -28.793  12.727   5.940
  217    HD2  HIS  27           HD2      HIS  27 -27.291   9.085   4.622
  218    HE1  HIS  27           HE1      HIS  27 -30.756  11.160   5.901
  219    HE2  HIS  27           HE2      HIS  27 -29.762   8.912   5.353
  220    H    VAL  28           HN       VAL  28 -26.808  12.443   1.427
  221    HA   VAL  28           HA       VAL  28 -27.634  15.218   1.861
  222    HB   VAL  28           HB       VAL  28 -26.133  14.968  -0.005
  223   HG11  VAL  28          HG11      VAL  28 -28.079  12.921  -1.045
  224   HG12  VAL  28          HG12      VAL  28 -26.395  12.664  -0.578
  225   HG13  VAL  28          HG13      VAL  28 -26.780  13.630  -2.003
  226   HG21  VAL  28          HG21      VAL  28 -28.951  15.415  -0.981
  227   HG22  VAL  28          HG22      VAL  28 -27.480  15.911  -1.820
  228   HG23  VAL  28          HG23      VAL  28 -27.890  16.625  -0.260
  229    H    LYS  29           HN       LYS  29 -29.669  15.869   1.749
  230    HA   LYS  29           HA       LYS  29 -31.719  13.862   1.095
  231    HB2  LYS  29           HB2      LYS  29 -33.190  15.171   2.681
  232    HB3  LYS  29           HB1      LYS  29 -31.875  14.275   3.422
  233    HG2  LYS  29           HG2      LYS  29 -30.576  16.305   3.656
  234    HG3  LYS  29           HG1      LYS  29 -31.827  17.225   2.819
  235    HD2  LYS  29           HD2      LYS  29 -32.046  17.574   5.191
  236    HD3  LYS  29           HD1      LYS  29 -33.414  16.618   4.621
  237    HE2  LYS  29           HE2      LYS  29 -32.288  14.577   5.402
  238    HE3  LYS  29           HE1      LYS  29 -30.953  15.557   6.001
  239    HZ1  LYS  29           HZ1      LYS  29 -32.475  14.995   7.772
  240    HZ2  LYS  29           HZ2      LYS  29 -33.766  15.696   6.935
  241    HZ3  LYS  29           HZ3      LYS  29 -32.502  16.664   7.500
  242    HA   PRO  30           HA       PRO  30 -32.105  17.159  -2.070
  243    HB2  PRO  30           HB2      PRO  30 -33.255  15.506  -3.923
  244    HB3  PRO  30           HB1      PRO  30 -31.512  15.714  -3.730
  245    HG2  PRO  30           HG2      PRO  30 -33.286  13.533  -2.726
  246    HG3  PRO  30           HG1      PRO  30 -31.652  13.429  -3.405
  247    HD2  PRO  30           HD2      PRO  30 -32.135  13.294  -0.748
  248    HD3  PRO  30           HD1      PRO  30 -30.650  14.004  -1.411
  249    H    GLY  31           HN       GLY  31 -34.538  14.669  -1.352
  250    HA2  GLY  31           HA2      GLY  31 -36.691  15.411  -0.441
  251    HA3  GLY  31           HA1      GLY  31 -36.611  16.761  -1.563
  252    H    LYS  32           HN       LYS  32 -35.634  13.564  -2.489
  253    HA   LYS  32           HA       LYS  32 -37.772  13.541  -4.485
  254    HB2  LYS  32           HB2      LYS  32 -35.204  11.957  -4.287
  255    HB3  LYS  32           HB1      LYS  32 -36.395  11.756  -5.562
  256    HG2  LYS  32           HG2      LYS  32 -36.051  14.094  -6.235
  257    HG3  LYS  32           HG1      LYS  32 -34.822  14.255  -4.980
  258    HD2  LYS  32           HD2      LYS  32 -33.448  12.586  -6.050
  259    HD3  LYS  32           HD1      LYS  32 -34.709  12.259  -7.239
  260    HE2  LYS  32           HE2      LYS  32 -32.972  13.659  -8.200
  261    HE3  LYS  32           HE1      LYS  32 -34.492  14.543  -8.091
  262    HZ1  LYS  32           HZ1      LYS  32 -32.208  14.781  -6.208
  263    HZ2  LYS  32           HZ2      LYS  32 -33.666  15.628  -6.092
  264    HZ3  LYS  32           HZ3      LYS  32 -32.630  15.905  -7.395
  265    H    GLY  33           HN       GLY  33 -37.671  12.574  -1.482
  266    HA2  GLY  33           HA2      GLY  33 -39.318  11.108  -0.570
  267    HA3  GLY  33           HA1      GLY  33 -39.223  10.141  -2.035
  268    H    SER  34           HN       SER  34 -36.497   9.801  -2.254
  269    HA   SER  34           HA       SER  34 -35.815   8.352   0.217
  270    HB2  SER  34           HB2      SER  34 -35.041   7.740  -2.648
  271    HB3  SER  34           HB1      SER  34 -34.447   6.864  -1.239
  272    HG   SER  34           HG       SER  34 -37.139   7.067  -2.122
  273    H    ALA  35           HN       ALA  35 -33.847   8.719   1.133
  274    HA   ALA  35           HA       ALA  35 -32.412  11.064   0.256
  275    HB1  ALA  35           HB1      ALA  35 -31.099  10.775   2.283
  276    HB2  ALA  35           HB2      ALA  35 -31.867   9.213   2.571
  277    HB3  ALA  35           HB3      ALA  35 -32.826  10.692   2.634
  278    H    PHE  36           HN       PHE  36 -30.050  11.048   0.101
  279    HA   PHE  36           HA       PHE  36 -28.978   8.522  -0.934
  280    HB2  PHE  36           HB2      PHE  36 -28.676  11.244  -2.234
  281    HB3  PHE  36           HB1      PHE  36 -27.830   9.784  -2.737
  282    HD1  PHE  36           HD1      PHE  36 -31.033  11.540  -2.686
  283    HD2  PHE  36           HD2      PHE  36 -28.986   8.020  -3.919
  284    HE1  PHE  36           HE1      PHE  36 -32.908  10.974  -4.177
  285    HE2  PHE  36           HE2      PHE  36 -30.857   7.448  -5.405
  286    HZ   PHE  36           HZ       PHE  36 -32.820   8.926  -5.536
  287    H    VAL  37           HN       VAL  37 -26.553   8.593  -1.016
  288    HA   VAL  37           HA       VAL  37 -25.446  10.500   0.929
  289    HB   VAL  37           HB       VAL  37 -24.711   7.572   0.866
  290   HG11  VAL  37          HG11      VAL  37 -23.533   8.062   2.947
  291   HG12  VAL  37          HG12      VAL  37 -23.977   9.763   2.794
  292   HG13  VAL  37          HG13      VAL  37 -22.908   9.020   1.603
  293   HG21  VAL  37          HG21      VAL  37 -26.452   9.054   2.821
  294   HG22  VAL  37          HG22      VAL  37 -25.881   7.398   3.018
  295   HG23  VAL  37          HG23      VAL  37 -26.975   7.804   1.695
  296    H    ARG  38           HN       ARG  38 -24.261  11.716  -0.389
  297    HA   ARG  38           HA       ARG  38 -22.683  10.601  -2.532
  298    HB2  ARG  38           HB2      ARG  38 -23.717  12.861  -2.673
  299    HB3  ARG  38           HB1      ARG  38 -22.668  13.392  -1.366
  300    HG2  ARG  38           HG2      ARG  38 -20.710  13.000  -2.743
  301    HG3  ARG  38           HG1      ARG  38 -21.734  12.404  -4.051
  302    HD2  ARG  38           HD2      ARG  38 -21.787  15.181  -2.880
  303    HD3  ARG  38           HD1      ARG  38 -21.084  14.724  -4.430
  304    HE   ARG  38           HE       ARG  38 -23.456  13.983  -4.989
  305   HH11  ARG  38          HH11      ARG  38 -22.747  16.622  -2.802
  306   HH12  ARG  38          HH12      ARG  38 -24.230  17.456  -3.129
  307   HH21  ARG  38          HH21      ARG  38 -25.415  15.071  -5.410
  308   HH22  ARG  38          HH22      ARG  38 -25.751  16.573  -4.608
  309    H    SER  39           HN       SER  39 -21.078   9.318  -1.821
  310    HA   SER  39           HA       SER  39 -19.537  10.242   0.494
  311    HB2  SER  39           HB2      SER  39 -19.737   7.447  -0.639
  312    HB3  SER  39           HB1      SER  39 -18.939   7.918   0.861
  313    HG   SER  39           HG       SER  39 -21.710   8.072   0.263
  314    H    LYS  40           HN       LYS  40 -17.489  10.786   0.279
  315    HA   LYS  40           HA       LYS  40 -16.098  10.364  -2.224
  316    HB2  LYS  40           HB2      LYS  40 -15.670  11.982   0.223
  317    HB3  LYS  40           HB1      LYS  40 -14.210  11.396  -0.563
  318    HG2  LYS  40           HG2      LYS  40 -14.876  12.453  -2.643
  319    HG3  LYS  40           HG1      LYS  40 -16.390  12.981  -1.910
  320    HD2  LYS  40           HD2      LYS  40 -15.221  14.414  -0.386
  321    HD3  LYS  40           HD1      LYS  40 -13.661  13.778  -0.911
  322    HE2  LYS  40           HE2      LYS  40 -14.163  15.984  -1.886
  323    HE3  LYS  40           HE1      LYS  40 -13.969  14.731  -3.108
  324    HZ1  LYS  40           HZ1      LYS  40 -15.880  16.266  -3.461
  325    HZ2  LYS  40           HZ2      LYS  40 -16.609  15.612  -2.087
  326    HZ3  LYS  40           HZ3      LYS  40 -16.303  14.630  -3.433
  327    H    LEU  41           HN       LEU  41 -15.333   8.391  -2.554
  328    HA   LEU  41           HA       LEU  41 -14.160   6.982  -0.281
  329    HB2  LEU  41           HB2      LEU  41 -15.242   4.925  -0.827
  330    HB3  LEU  41           HB1      LEU  41 -16.471   6.167  -0.698
  331    HG   LEU  41           HG       LEU  41 -15.452   4.849  -3.218
  332   HD11  LEU  41          HD11      LEU  41 -18.183   4.968  -1.949
  333   HD12  LEU  41          HD12      LEU  41 -17.086   3.588  -1.917
  334   HD13  LEU  41          HD13      LEU  41 -17.767   4.137  -3.448
  335   HD21  LEU  41          HD21      LEU  41 -17.064   6.228  -4.447
  336   HD22  LEU  41          HD22      LEU  41 -15.781   7.197  -3.727
  337   HD23  LEU  41          HD23      LEU  41 -17.378   7.157  -2.980
  338    H    ARG  42           HN       ARG  42 -12.413   5.788  -0.653
  339    HA   ARG  42           HA       ARG  42 -11.100   6.256  -3.219
  340    HB2  ARG  42           HB2      ARG  42  -9.811   7.019  -1.370
  341    HB3  ARG  42           HB1      ARG  42 -10.119   5.555  -0.454
  342    HG2  ARG  42           HG2      ARG  42  -8.722   4.285  -2.002
  343    HG3  ARG  42           HG1      ARG  42  -8.422   5.752  -2.936
  344    HD2  ARG  42           HD2      ARG  42  -7.237   6.756  -1.133
  345    HD3  ARG  42           HD1      ARG  42  -7.749   5.496  -0.012
  346    HE   ARG  42           HE       ARG  42  -6.400   4.011  -1.684
  347   HH11  ARG  42          HH11      ARG  42  -5.545   7.195  -0.492
  348   HH12  ARG  42          HH12      ARG  42  -3.841   6.936  -0.663
  349   HH21  ARG  42          HH21      ARG  42  -4.158   3.662  -1.881
  350   HH22  ARG  42          HH22      ARG  42  -3.046   4.923  -1.445
  351    H    ASN  43           HN       ASN  43 -10.863   4.632  -4.651
  352    HA   ASN  43           HA       ASN  43 -11.676   1.979  -4.146
  353    HB2  ASN  43           HB2      ASN  43 -11.358   2.972  -6.450
  354    HB3  ASN  43           HB1      ASN  43  -9.621   2.834  -6.203
  355   HD21  ASN  43          HD21      ASN  43 -11.432   1.551  -8.159
  356   HD22  ASN  43          HD22      ASN  43 -11.153  -0.149  -7.987
  357    H    LEU  44           HN       LEU  44 -10.769   0.593  -2.832
  358    HA   LEU  44           HA       LEU  44  -8.451   1.293  -1.382
  359    HB2  LEU  44           HB2      LEU  44 -10.461   0.065  -0.540
  360    HB3  LEU  44           HB1      LEU  44  -9.927  -1.328  -1.450
  361    HG   LEU  44           HG       LEU  44  -8.019  -0.196   0.524
  362   HD11  LEU  44          HD11      LEU  44 -10.096  -0.143   1.772
  363   HD12  LEU  44          HD12      LEU  44  -9.109  -1.497   2.321
  364   HD13  LEU  44          HD13      LEU  44 -10.480  -1.783   1.250
  365   HD21  LEU  44          HD21      LEU  44  -7.500  -2.557   0.825
  366   HD22  LEU  44          HD22      LEU  44  -7.441  -2.119  -0.883
  367   HD23  LEU  44          HD23      LEU  44  -8.833  -2.995  -0.243
  368    H    ARG  45           HN       ARG  45  -9.004  -0.571  -4.208
  369    HA   ARG  45           HA       ARG  45  -6.548  -2.078  -3.967
  370    HB2  ARG  45           HB2      ARG  45  -8.701  -2.960  -4.977
  371    HB3  ARG  45           HB1      ARG  45  -8.365  -1.935  -6.368
  372    HG2  ARG  45           HG2      ARG  45  -6.336  -3.126  -6.829
  373    HG3  ARG  45           HG1      ARG  45  -6.496  -4.059  -5.339
  374    HD2  ARG  45           HD2      ARG  45  -8.782  -4.767  -6.345
  375    HD3  ARG  45           HD1      ARG  45  -8.070  -4.246  -7.870
  376    HE   ARG  45           HE       ARG  45  -6.177  -5.858  -7.115
  377   HH11  ARG  45          HH11      ARG  45  -9.624  -6.304  -6.701
  378   HH12  ARG  45          HH12      ARG  45  -9.523  -8.039  -6.674
  379   HH21  ARG  45          HH21      ARG  45  -6.051  -8.157  -7.054
  380   HH22  ARG  45          HH22      ARG  45  -7.513  -9.080  -6.876
  381    H    THR  46           HN       THR  46  -7.802   0.545  -6.029
  382    HA   THR  46           HA       THR  46  -5.253   0.654  -7.430
  383    HB   THR  46           HB       THR  46  -6.387   2.271  -8.918
  384    HG1  THR  46           HG1      THR  46  -8.836   2.195  -8.491
  385   HG21  THR  46          HG21      THR  46  -6.466  -0.105  -9.440
  386   HG22  THR  46          HG22      THR  46  -7.977   0.678  -9.905
  387   HG23  THR  46          HG23      THR  46  -7.901  -0.293  -8.432
  388    H    GLY  47           HN       GLY  47  -6.937   2.293  -4.942
  389    HA2  GLY  47           HA2      GLY  47  -6.138   3.984  -3.557
  390    HA3  GLY  47           HA1      GLY  47  -4.791   4.216  -4.662
  391    H    ALA  48           HN       ALA  48  -7.806   4.123  -6.207
  392    HA   ALA  48           HA       ALA  48  -7.482   6.837  -7.071
  393    HB1  ALA  48           HB1      ALA  48  -9.368   6.406  -8.517
  394    HB2  ALA  48           HB2      ALA  48  -9.720   4.908  -7.652
  395    HB3  ALA  48           HB3      ALA  48  -8.230   5.059  -8.585
  396    H    ILE  49           HN       ILE  49  -8.470   8.607  -6.380
  397    HA   ILE  49           HA       ILE  49 -10.372   8.421  -4.183
  398    HB   ILE  49           HB       ILE  49  -9.257  10.908  -5.478
  399   HG12  ILE  49          HG12      ILE  49  -7.401   9.574  -4.633
  400   HG13  ILE  49          HG11      ILE  49  -7.646  10.980  -3.606
  401   HG21  ILE  49          HG21      ILE  49 -10.542  10.463  -2.788
  402   HG22  ILE  49          HG22      ILE  49 -11.281  11.268  -4.172
  403   HG23  ILE  49          HG23      ILE  49  -9.884  11.991  -3.375
  404   HD11  ILE  49          HD11      ILE  49  -8.845   9.553  -1.997
  405   HD12  ILE  49          HD12      ILE  49  -7.175   9.052  -2.257
  406   HD13  ILE  49          HD13      ILE  49  -8.490   8.156  -3.015
  407    H    GLN  50           HN       GLN  50 -12.461   8.168  -4.718
  408    HA   GLN  50           HA       GLN  50 -13.508   9.714  -6.991
  409    HB2  GLN  50           HB2      GLN  50 -13.076   7.255  -7.505
  410    HB3  GLN  50           HB1      GLN  50 -14.335   6.885  -6.340
  411    HG2  GLN  50           HG2      GLN  50 -15.935   8.170  -7.698
  412    HG3  GLN  50           HG1      GLN  50 -14.663   8.457  -8.883
  413   HE21  GLN  50          HE21      GLN  50 -13.924   6.742 -10.137
  414   HE22  GLN  50          HE22      GLN  50 -14.831   5.281 -10.311
  415    H    GLU  51           HN       GLU  51 -16.033   9.671  -6.877
  416    HA   GLU  51           HA       GLU  51 -16.985   9.334  -4.143
  417    HB2  GLU  51           HB2      GLU  51 -18.338  11.421  -4.341
  418    HB3  GLU  51           HB1      GLU  51 -16.607  11.686  -4.234
  419    HG2  GLU  51           HG2      GLU  51 -16.490  12.080  -6.621
  420    HG3  GLU  51           HG1      GLU  51 -18.217  11.756  -6.774
  421    H    LYS  52           HN       LYS  52 -18.882   8.388  -3.970
  422    HA   LYS  52           HA       LYS  52 -20.431   7.917  -6.426
  423    HB2  LYS  52           HB2      LYS  52 -19.392   5.984  -4.414
  424    HB3  LYS  52           HB1      LYS  52 -20.986   5.679  -5.085
  425    HG2  LYS  52           HG2      LYS  52 -20.030   5.707  -7.344
  426    HG3  LYS  52           HG1      LYS  52 -18.431   5.987  -6.654
  427    HD2  LYS  52           HD2      LYS  52 -18.280   3.857  -5.793
  428    HD3  LYS  52           HD1      LYS  52 -20.030   3.655  -5.706
  429    HE2  LYS  52           HE2      LYS  52 -19.074   2.243  -7.443
  430    HE3  LYS  52           HE1      LYS  52 -20.135   3.464  -8.137
  431    HZ1  LYS  52           HZ1      LYS  52 -18.191   4.758  -8.745
  432    HZ2  LYS  52           HZ2      LYS  52 -18.101   3.209  -9.416
  433    HZ3  LYS  52           HZ3      LYS  52 -17.169   3.599  -8.063
  434    H    THR  53           HN       THR  53 -22.676   7.553  -6.125
  435    HA   THR  53           HA       THR  53 -23.683   8.783  -3.664
  436    HB   THR  53           HB       THR  53 -25.060   8.520  -6.337
  437    HG1  THR  53           HG1      THR  53 -23.599  10.071  -6.698
  438   HG21  THR  53          HG21      THR  53 -26.619   8.627  -4.446
  439   HG22  THR  53          HG22      THR  53 -26.685  10.099  -5.415
  440   HG23  THR  53          HG23      THR  53 -25.825  10.095  -3.875
  441    H    PHE  54           HN       PHE  54 -24.332   7.327  -2.233
  442    HA   PHE  54           HA       PHE  54 -25.432   4.779  -3.047
  443    HB2  PHE  54           HB2      PHE  54 -24.979   6.052  -0.349
  444    HB3  PHE  54           HB1      PHE  54 -25.753   4.487  -0.543
  445    HD1  PHE  54           HD1      PHE  54 -24.461   2.590  -1.496
  446    HD2  PHE  54           HD2      PHE  54 -22.627   6.296  -0.481
  447    HE1  PHE  54           HE1      PHE  54 -22.259   1.494  -1.498
  448    HE2  PHE  54           HE2      PHE  54 -20.421   5.206  -0.484
  449    HZ   PHE  54           HZ       PHE  54 -20.234   2.802  -0.992
  450    H    ARG  55           HN       ARG  55 -27.564   4.079  -2.429
  451    HA   ARG  55           HA       ARG  55 -29.470   6.323  -2.492
  452    HB2  ARG  55           HB2      ARG  55 -30.822   4.914  -4.056
  453    HB3  ARG  55           HB1      ARG  55 -29.273   5.425  -4.713
  454    HG2  ARG  55           HG2      ARG  55 -28.347   3.203  -4.070
  455    HG3  ARG  55           HG1      ARG  55 -29.979   2.713  -3.622
  456    HD2  ARG  55           HD2      ARG  55 -29.512   1.907  -5.831
  457    HD3  ARG  55           HD1      ARG  55 -30.703   3.201  -5.943
  458    HE   ARG  55           HE       ARG  55 -29.090   4.587  -6.925
  459   HH11  ARG  55          HH11      ARG  55 -27.755   1.430  -6.138
  460   HH12  ARG  55          HH12      ARG  55 -26.394   1.614  -7.200
  461   HH21  ARG  55          HH21      ARG  55 -27.299   4.801  -8.332
  462   HH22  ARG  55          HH22      ARG  55 -26.142   3.514  -8.445
  463    H    ALA  56           HN       ALA  56 -31.065   6.245  -1.031
  464    HA   ALA  56           HA       ALA  56 -31.229   4.218   0.918
  465    HB1  ALA  56           HB1      ALA  56 -31.982   6.520   1.316
  466    HB2  ALA  56           HB2      ALA  56 -33.238   5.342   1.695
  467    HB3  ALA  56           HB3      ALA  56 -33.320   6.269   0.198
  468    H    GLY  57           HN       GLY  57 -32.339   2.381   1.022
  469    HA2  GLY  57           HA2      GLY  57 -34.263   1.023   0.430
  470    HA3  GLY  57           HA1      GLY  57 -34.249   1.797  -1.152
  471    H    GLU  58           HN       GLU  58 -31.206   1.588  -1.010
  472    HA   GLU  58           HA       GLU  58 -31.039  -1.208  -1.888
  473    HB2  GLU  58           HB2      GLU  58 -30.358   0.459  -3.554
  474    HB3  GLU  58           HB1      GLU  58 -29.191   1.126  -2.422
  475    HG2  GLU  58           HG2      GLU  58 -28.010  -1.049  -2.431
  476    HG3  GLU  58           HG1      GLU  58 -29.135  -1.610  -3.668
  477    H    LYS  59           HN       LYS  59 -29.813  -2.629  -0.795
  478    HA   LYS  59           HA       LYS  59 -28.764  -1.840   1.760
  479    HB2  LYS  59           HB2      LYS  59 -28.311  -4.203   2.094
  480    HB3  LYS  59           HB1      LYS  59 -29.928  -3.991   1.438
  481    HG2  LYS  59           HG2      LYS  59 -29.029  -4.553  -0.809
  482    HG3  LYS  59           HG1      LYS  59 -27.476  -4.900  -0.053
  483    HD2  LYS  59           HD2      LYS  59 -28.618  -6.974  -0.325
  484    HD3  LYS  59           HD1      LYS  59 -28.656  -6.574   1.393
  485    HE2  LYS  59           HE2      LYS  59 -30.934  -5.747   1.167
  486    HE3  LYS  59           HE1      LYS  59 -30.896  -6.073  -0.564
  487    HZ1  LYS  59           HZ1      LYS  59 -30.558  -8.438  -0.018
  488    HZ2  LYS  59           HZ2      LYS  59 -32.036  -7.838   0.536
  489    HZ3  LYS  59           HZ3      LYS  59 -30.761  -8.075   1.621
  490    H    VAL  60           HN       VAL  60 -26.665  -1.711   2.400
  491    HA   VAL  60           HA       VAL  60 -24.690  -1.583   0.245
  492    HB   VAL  60           HB       VAL  60 -24.540  -0.536   3.080
  493   HG11  VAL  60          HG11      VAL  60 -22.336  -1.069   2.222
  494   HG12  VAL  60          HG12      VAL  60 -22.553   0.679   2.307
  495   HG13  VAL  60          HG13      VAL  60 -22.664  -0.149   0.754
  496   HG21  VAL  60          HG21      VAL  60 -26.182   0.672   1.753
  497   HG22  VAL  60          HG22      VAL  60 -24.992   0.917   0.474
  498   HG23  VAL  60          HG23      VAL  60 -24.766   1.681   2.048
  499    H    GLU  61           HN       GLU  61 -23.415  -3.261  -0.041
  500    HA   GLU  61           HA       GLU  61 -23.123  -5.263   2.048
  501    HB2  GLU  61           HB2      GLU  61 -23.684  -5.981  -0.229
  502    HB3  GLU  61           HB1      GLU  61 -22.210  -5.242  -0.836
  503    HG2  GLU  61           HG2      GLU  61 -20.874  -6.813   0.456
  504    HG3  GLU  61           HG1      GLU  61 -22.344  -7.540   1.103
  505    HA   PRO  62           HA       PRO  62 -19.192  -3.442   3.114
  506    HB2  PRO  62           HB2      PRO  62 -18.573  -5.097   5.140
  507    HB3  PRO  62           HB1      PRO  62 -19.814  -3.850   5.297
  508    HG2  PRO  62           HG2      PRO  62 -20.125  -6.781   4.791
  509    HG3  PRO  62           HG1      PRO  62 -21.065  -5.726   5.861
  510    HD2  PRO  62           HD2      PRO  62 -21.902  -6.493   3.372
  511    HD3  PRO  62           HD1      PRO  62 -22.398  -4.977   4.149
  512    H    ALA  63           HN       ALA  63 -17.031  -3.907   2.864
  513    HA   ALA  63           HA       ALA  63 -16.451  -6.393   1.416
  514    HB1  ALA  63           HB1      ALA  63 -14.948  -3.786   1.538
  515    HB2  ALA  63           HB2      ALA  63 -15.911  -4.385   0.191
  516    HB3  ALA  63           HB3      ALA  63 -14.419  -5.209   0.646
  517    H    MET  64           HN       MET  64 -15.281  -7.934   2.373
  518    HA   MET  64           HA       MET  64 -14.207  -7.430   5.012
  519    HB2  MET  64           HB2      MET  64 -13.734  -9.885   5.026
  520    HB3  MET  64           HB1      MET  64 -15.424  -9.474   4.780
  521    HG2  MET  64           HG2      MET  64 -15.267  -9.968   2.441
  522    HG3  MET  64           HG1      MET  64 -13.523 -10.191   2.561
  523    HE1  MET  64           HE1      MET  64 -17.026 -11.563   3.712
  524    HE2  MET  64           HE2      MET  64 -16.143 -11.422   5.231
  525    HE3  MET  64           HE3      MET  64 -16.559 -13.013   4.599
  526    H    ILE  65           HN       ILE  65 -12.281  -6.544   5.182
  527    HA   ILE  65           HA       ILE  65 -10.192  -7.265   3.238
  528    HB   ILE  65           HB       ILE  65 -10.258  -4.931   5.163
  529   HG12  ILE  65          HG12      ILE  65 -11.961  -4.704   3.405
  530   HG13  ILE  65          HG11      ILE  65 -10.669  -3.528   3.197
  531   HG21  ILE  65          HG21      ILE  65  -8.348  -4.090   3.874
  532   HG22  ILE  65          HG22      ILE  65  -8.350  -5.572   2.919
  533   HG23  ILE  65          HG23      ILE  65  -7.994  -5.636   4.644
  534   HD11  ILE  65          HD11      ILE  65  -9.691  -4.935   1.445
  535   HD12  ILE  65          HD12      ILE  65 -11.341  -4.445   1.067
  536   HD13  ILE  65          HD13      ILE  65 -11.018  -6.081   1.640
  537    H    GLU  66           HN       GLU  66  -8.580  -8.542   3.888
  538    HA   GLU  66           HA       GLU  66  -8.106  -8.812   6.785
  539    HB2  GLU  66           HB2      GLU  66  -9.202 -10.808   5.854
  540    HB3  GLU  66           HB1      GLU  66  -7.909 -10.968   4.676
  541    HG2  GLU  66           HG2      GLU  66  -6.307 -11.352   6.470
  542    HG3  GLU  66           HG1      GLU  66  -7.594 -11.169   7.660
  543    H    ASN  67           HN       ASN  67  -6.157  -8.186   7.383
  544    HA   ASN  67           HA       ASN  67  -4.036  -8.008   5.370
  545    HB2  ASN  67           HB2      ASN  67  -4.344  -6.734   8.090
  546    HB3  ASN  67           HB1      ASN  67  -2.848  -6.665   7.166
  547   HD21  ASN  67          HD21      ASN  67  -6.137  -5.588   7.382
  548   HD22  ASN  67          HD22      ASN  67  -6.009  -4.323   6.210
  549    H    ARG  68           HN       ARG  68  -2.279  -9.246   5.434
  550    HA   ARG  68           HA       ARG  68  -1.727 -10.782   7.881
  551    HB2  ARG  68           HB2      ARG  68  -1.569 -11.791   5.038
  552    HB3  ARG  68           HB1      ARG  68  -0.975 -12.661   6.440
  553    HG2  ARG  68           HG2      ARG  68  -3.288 -12.712   7.327
  554    HG3  ARG  68           HG1      ARG  68  -3.836 -11.959   5.825
  555    HD2  ARG  68           HD2      ARG  68  -2.783 -13.861   4.590
  556    HD3  ARG  68           HD1      ARG  68  -2.482 -14.631   6.145
  557    HE   ARG  68           HE       ARG  68  -5.242 -13.914   5.717
  558   HH11  ARG  68          HH11      ARG  68  -2.784 -16.396   5.384
  559   HH12  ARG  68          HH12      ARG  68  -3.934 -17.649   5.007
  560   HH21  ARG  68          HH21      ARG  68  -6.742 -15.562   5.306
  561   HH22  ARG  68          HH22      ARG  68  -6.188 -17.182   5.002
  562    H    ARG  69           HN       ARG  69   0.593 -11.660   7.765
  563    HA   ARG  69           HA       ARG  69   2.307  -9.828   6.265
  564    HB2  ARG  69           HB2      ARG  69   3.907  -9.892   8.254
  565    HB3  ARG  69           HB1      ARG  69   2.484  -8.872   8.389
  566    HG2  ARG  69           HG2      ARG  69   2.417 -11.650   9.477
  567    HG3  ARG  69           HG1      ARG  69   3.228 -10.371  10.381
  568    HD2  ARG  69           HD2      ARG  69   0.348 -10.408   9.479
  569    HD3  ARG  69           HD1      ARG  69   0.939 -10.562  11.134
  570    HE   ARG  69           HE       ARG  69   1.950  -8.177  10.315
  571   HH11  ARG  69          HH11      ARG  69  -1.282  -9.532  10.420
  572   HH12  ARG  69          HH12      ARG  69  -2.056  -7.986  10.582
  573   HH21  ARG  69          HH21      ARG  69   0.935  -6.153  10.513
  574   HH22  ARG  69          HH22      ARG  69  -0.794  -6.061  10.625
  575    H    MET  70           HN       MET  70   3.861 -10.761   5.159
  576    HA   MET  70           HA       MET  70   4.358 -13.617   5.666
  577    HB2  MET  70           HB2      MET  70   4.341 -12.165   3.013
  578    HB3  MET  70           HB1      MET  70   4.828 -13.829   3.253
  579    HG2  MET  70           HG2      MET  70   2.630 -13.768   2.333
  580    HG3  MET  70           HG1      MET  70   2.561 -14.390   3.969
  581    HE1  MET  70           HE1      MET  70   0.108 -13.470   2.249
  582    HE2  MET  70           HE2      MET  70  -0.849 -12.505   3.371
  583    HE3  MET  70           HE3      MET  70  -0.130 -14.025   3.905
  584    H    GLN  71           HN       GLN  71   6.451 -14.366   5.508
  585    HA   GLN  71           HA       GLN  71   8.562 -12.384   5.511
  586    HB2  GLN  71           HB2      GLN  71   8.604 -14.352   7.041
  587    HB3  GLN  71           HB1      GLN  71   8.797 -15.391   5.635
  588    HG2  GLN  71           HG2      GLN  71  10.885 -14.219   5.083
  589    HG3  GLN  71           HG1      GLN  71  10.706 -13.254   6.547
  590   HE21  GLN  71          HE21      GLN  71  11.041 -14.222   8.547
  591   HE22  GLN  71          HE22      GLN  71  11.828 -15.752   8.709
  592    H    TYR  72           HN       TYR  72  10.128 -12.153   3.947
  593    HA   TYR  72           HA       TYR  72   9.253 -12.697   1.285
  594    HB2  TYR  72           HB2      TYR  72  10.420 -10.597   1.996
  595    HB3  TYR  72           HB1      TYR  72  11.897 -11.532   2.185
  596    HD1  TYR  72           HD1      TYR  72  12.993 -12.526   0.164
  597    HD2  TYR  72           HD2      TYR  72   9.672  -9.888  -0.148
  598    HE1  TYR  72           HE1      TYR  72  13.519 -12.153  -2.208
  599    HE2  TYR  72           HE2      TYR  72  10.185  -9.515  -2.521
  600    HH   TYR  72           HH       TYR  72  12.076  -9.666  -4.042
  601    H    LEU  73           HN       LEU  73   9.411 -14.705   0.547
  602    HA   LEU  73           HA       LEU  73  12.051 -15.998   0.560
  603    HB2  LEU  73           HB2      LEU  73   9.299 -17.036  -0.136
  604    HB3  LEU  73           HB1      LEU  73  10.756 -17.900  -0.569
  605    HG   LEU  73           HG       LEU  73   9.870 -18.911   1.395
  606   HD11  LEU  73          HD11      LEU  73  12.292 -18.708   1.332
  607   HD12  LEU  73          HD12      LEU  73  11.687 -18.644   2.987
  608   HD13  LEU  73          HD13      LEU  73  12.194 -17.163   2.176
  609   HD21  LEU  73          HD21      LEU  73   9.861 -16.169   2.644
  610   HD22  LEU  73          HD22      LEU  73   9.497 -17.679   3.480
  611   HD23  LEU  73          HD23      LEU  73   8.447 -17.116   2.180
  612    H    TYR  74           HN       TYR  74  12.094 -17.265  -1.861
  613    HA   TYR  74           HA       TYR  74  11.522 -15.205  -3.834
  614    HB2  TYR  74           HB2      TYR  74  13.868 -15.165  -4.635
  615    HB3  TYR  74           HB1      TYR  74  13.670 -14.494  -3.022
  616    HD1  TYR  74           HD1      TYR  74  14.625 -15.601  -1.088
  617    HD2  TYR  74           HD2      TYR  74  15.069 -17.258  -4.982
  618    HE1  TYR  74           HE1      TYR  74  16.408 -17.072  -0.253
  619    HE2  TYR  74           HE2      TYR  74  16.849 -18.738  -4.155
  620    HH   TYR  74           HH       TYR  74  17.435 -19.285  -0.905
  621    H    ALA  75           HN       ALA  75  11.652 -15.818  -5.945
  622    HA   ALA  75           HA       ALA  75  12.337 -18.531  -6.681
  623    HB1  ALA  75           HB1      ALA  75   9.975 -18.699  -5.981
  624    HB2  ALA  75           HB2      ALA  75  10.185 -19.014  -7.701
  625    HB3  ALA  75           HB3      ALA  75   9.555 -17.457  -7.161
  626    H    ASP  76           HN       ASP  76  11.235 -18.435  -9.289
  627    HA   ASP  76           HA       ASP  76  12.961 -16.573 -10.572
  628    HB2  ASP  76           HB2      ASP  76  12.278 -18.714 -11.627
  629    HB3  ASP  76           HB1      ASP  76  10.631 -18.104 -11.760
  630    H    GLY  77           HN       GLY  77  12.431 -14.579 -11.601
  631    HA2  GLY  77           HA2      GLY  77  10.420 -13.249 -10.027
  632    HA3  GLY  77           HA1      GLY  77  11.532 -12.486 -11.146
  633    H    ASP  78           HN       ASP  78   8.812 -14.744 -11.272
  634    HA   ASP  78           HA       ASP  78   7.360 -12.701 -12.821
  635    HB2  ASP  78           HB2      ASP  78   6.098 -14.397 -13.950
  636    HB3  ASP  78           HB1      ASP  78   7.784 -14.895 -14.085
  637    H    ASN  79           HN       ASN  79   7.539 -15.076 -10.327
  638    HA   ASN  79           HA       ASN  79   5.467 -13.687  -8.809
  639    HB2  ASN  79           HB2      ASN  79   5.541 -16.615  -9.470
  640    HB3  ASN  79           HB1      ASN  79   4.860 -16.084  -7.930
  641   HD21  ASN  79          HD21      ASN  79   4.478 -16.134 -11.384
  642   HD22  ASN  79          HD22      ASN  79   2.831 -15.599 -11.399
  643    H    HIS  80           HN       HIS  80   6.078 -13.383  -6.703
  644    HA   HIS  80           HA       HIS  80   8.555 -14.737  -5.857
  645    HB2  HIS  80           HB2      HIS  80   7.304 -12.154  -4.926
  646    HB3  HIS  80           HB1      HIS  80   8.609 -12.944  -4.055
  647    HD1  HIS  80           HD1      HIS  80   9.097 -10.167  -5.042
  648    HD2  HIS  80           HD2      HIS  80   9.897 -13.540  -7.353
  649    HE1  HIS  80           HE1      HIS  80  10.797  -9.438  -6.753
  650    HE2  HIS  80           HE2      HIS  80  11.436 -11.549  -7.971
  651    H    VAL  81           HN       VAL  81   8.669 -15.735  -3.835
  652    HA   VAL  81           HA       VAL  81   6.093 -16.780  -2.971
  653    HB   VAL  81           HB       VAL  81   8.865 -17.642  -2.138
  654   HG11  VAL  81          HG11      VAL  81   6.202 -19.034  -1.875
  655   HG12  VAL  81          HG12      VAL  81   7.113 -18.287  -0.563
  656   HG13  VAL  81          HG13      VAL  81   7.767 -19.694  -1.401
  657   HG21  VAL  81          HG21      VAL  81   8.566 -17.911  -4.541
  658   HG22  VAL  81          HG22      VAL  81   7.054 -18.775  -4.267
  659   HG23  VAL  81          HG23      VAL  81   8.582 -19.482  -3.737
  660    H    PHE  82           HN       PHE  82   5.119 -16.110  -1.133
  661    HA   PHE  82           HA       PHE  82   6.813 -14.879   0.936
  662    HB2  PHE  82           HB2      PHE  82   4.150 -14.002  -0.145
  663    HB3  PHE  82           HB1      PHE  82   4.664 -13.536   1.469
  664    HD1  PHE  82           HD1      PHE  82   5.432 -13.254  -2.118
  665    HD2  PHE  82           HD2      PHE  82   6.305 -11.878   1.816
  666    HE1  PHE  82           HE1      PHE  82   6.726 -11.386  -3.059
  667    HE2  PHE  82           HE2      PHE  82   7.596 -10.007   0.877
  668    HZ   PHE  82           HZ       PHE  82   7.807  -9.761  -1.562
  669    H    MET  83           HN       MET  83   6.683 -15.786   2.882
  670    HA   MET  83           HA       MET  83   4.822 -18.009   3.208
  671    HB2  MET  83           HB2      MET  83   7.179 -18.409   3.709
  672    HB3  MET  83           HB1      MET  83   7.161 -17.120   4.902
  673    HG2  MET  83           HG2      MET  83   5.584 -18.380   6.260
  674    HG3  MET  83           HG1      MET  83   5.568 -19.665   5.056
  675    HE1  MET  83           HE1      MET  83   7.664 -21.156   4.459
  676    HE2  MET  83           HE2      MET  83   9.231 -21.026   5.258
  677    HE3  MET  83           HE3      MET  83   8.677 -19.735   4.194
  678    H    ASP  84           HN       ASP  84   2.934 -17.637   4.072
  679    HA   ASP  84           HA       ASP  84   2.306 -15.248   5.470
  680    HB2  ASP  84           HB2      ASP  84   0.636 -16.293   4.078
  681    HB3  ASP  84           HB1      ASP  84   0.707 -17.765   5.039
  682    H    ASN  85           HN       ASN  85   2.662 -14.784   7.454
  683    HA   ASN  85           HA       ASN  85   3.364 -16.743   9.418
  684    HB2  ASN  85           HB2      ASN  85   2.790 -13.786   9.678
  685    HB3  ASN  85           HB1      ASN  85   3.426 -14.796  10.972
  686   HD21  ASN  85          HD21      ASN  85   4.551 -12.451   9.639
  687   HD22  ASN  85          HD22      ASN  85   6.092 -12.943   9.037
  688    H    GLU  86           HN       GLU  86   0.404 -15.452   8.281
  689    HA   GLU  86           HA       GLU  86  -1.082 -15.619  10.719
  690    HB2  GLU  86           HB2      GLU  86  -1.646 -14.492   8.374
  691    HB3  GLU  86           HB1      GLU  86  -2.376 -16.053   8.054
  692    HG2  GLU  86           HG2      GLU  86  -3.100 -14.125  10.237
  693    HG3  GLU  86           HG1      GLU  86  -4.060 -14.553   8.826
  694    H    SER  87           HN       SER  87  -0.979 -17.745   7.819
  695    HA   SER  87           HA       SER  87  -0.531 -20.019   9.488
  696    HB2  SER  87           HB2      SER  87  -2.703 -21.167   8.578
  697    HB3  SER  87           HB1      SER  87  -2.790 -20.122   9.994
  698    HG   SER  87           HG       SER  87  -3.607 -18.481   8.733
  699    H    PHE  88           HN       PHE  88   1.253 -20.096   8.001
  700    HA   PHE  88           HA       PHE  88   2.379 -21.428   6.573
  701    HB2  PHE  88           HB2      PHE  88  -0.086 -23.110   6.985
  702    HB3  PHE  88           HB1      PHE  88   1.417 -23.702   6.272
  703    HD1  PHE  88           HD1      PHE  88   3.453 -23.856   7.650
  704    HD2  PHE  88           HD2      PHE  88  -0.312 -22.798   9.326
  705    HE1  PHE  88           HE1      PHE  88   4.317 -24.353   9.898
  706    HE2  PHE  88           HE2      PHE  88   0.547 -23.292  11.577
  707    HZ   PHE  88           HZ       PHE  88   2.863 -24.071  11.865
  708    H    GLU  89           HN       GLU  89   0.576 -19.489   5.119
  709    HA   GLU  89           HA       GLU  89   0.149 -21.074   2.694
  710    HB2  GLU  89           HB2      GLU  89  -0.868 -18.355   3.488
  711    HB3  GLU  89           HB1      GLU  89  -1.058 -19.024   1.873
  712    HG2  GLU  89           HG2      GLU  89  -2.234 -20.966   2.887
  713    HG3  GLU  89           HG1      GLU  89  -2.172 -20.123   4.434
  714    H    GLN  90           HN       GLN  90   1.689 -21.063   1.190
  715    HA   GLN  90           HA       GLN  90   3.607 -18.902   1.078
  716    HB2  GLN  90           HB2      GLN  90   3.265 -21.330  -0.682
  717    HB3  GLN  90           HB1      GLN  90   4.570 -20.166  -0.835
  718    HG2  GLN  90           HG2      GLN  90   5.216 -20.722   1.518
  719    HG3  GLN  90           HG1      GLN  90   4.036 -22.031   1.458
  720   HE21  GLN  90          HE21      GLN  90   7.098 -20.882   0.337
  721   HE22  GLN  90          HE22      GLN  90   7.624 -22.359  -0.386
  722    H    THR  91           HN       THR  91   2.400 -17.122   0.543
  723    HA   THR  91           HA       THR  91   0.583 -17.117  -1.670
  724    HB   THR  91           HB       THR  91   1.714 -14.763  -0.156
  725    HG1  THR  91           HG1      THR  91  -0.350 -16.585   0.437
  726   HG21  THR  91          HG21      THR  91  -0.333 -13.624  -0.872
  727   HG22  THR  91          HG22      THR  91  -0.826 -15.063  -1.763
  728   HG23  THR  91          HG23      THR  91   0.609 -14.166  -2.260
  729    H    GLU  92           HN       GLU  92   1.263 -17.082  -3.718
  730    HA   GLU  92           HA       GLU  92   3.867 -15.952  -4.345
  731    HB2  GLU  92           HB2      GLU  92   3.434 -16.858  -6.633
  732    HB3  GLU  92           HB1      GLU  92   3.419 -18.079  -5.369
  733    HG2  GLU  92           HG2      GLU  92   0.954 -17.990  -5.371
  734    HG3  GLU  92           HG1      GLU  92   1.026 -16.860  -6.721
  735    H    LEU  93           HN       LEU  93   4.085 -13.926  -4.928
  736    HA   LEU  93           HA       LEU  93   1.701 -12.411  -5.647
  737    HB2  LEU  93           HB2      LEU  93   4.473 -11.588  -4.821
  738    HB3  LEU  93           HB1      LEU  93   3.267 -10.443  -5.366
  739    HG   LEU  93           HG       LEU  93   3.100 -12.196  -2.916
  740   HD11  LEU  93          HD11      LEU  93   3.461  -9.233  -3.292
  741   HD12  LEU  93          HD12      LEU  93   4.607 -10.371  -2.587
  742   HD13  LEU  93          HD13      LEU  93   3.100 -10.005  -1.749
  743   HD21  LEU  93          HD21      LEU  93   1.035 -10.857  -2.444
  744   HD22  LEU  93          HD22      LEU  93   0.886 -12.000  -3.775
  745   HD23  LEU  93          HD23      LEU  93   1.101 -10.282  -4.110
  746    H    SER  94           HN       SER  94   1.393 -11.416  -7.529
  747    HA   SER  94           HA       SER  94   2.792 -12.477  -9.789
  748    HB2  SER  94           HB2      SER  94   0.694 -10.322  -9.876
  749    HB3  SER  94           HB1      SER  94   1.043 -11.563 -11.077
  750    HG   SER  94           HG       SER  94   0.405 -13.068  -9.282
  751    H    SER  95           HN       SER  95   3.216 -10.862 -11.682
  752    HA   SER  95           HA       SER  95   5.546  -9.528 -11.114
  753    HB2  SER  95           HB2      SER  95   3.672  -8.899 -13.398
  754    HB3  SER  95           HB1      SER  95   5.417  -8.650 -13.356
  755    HG   SER  95           HG       SER  95   4.942 -11.186 -12.732
  756    H    ASP  96           HN       ASP  96   2.276  -8.158 -11.279
  757    HA   ASP  96           HA       ASP  96   2.900  -5.445 -11.168
  758    HB2  ASP  96           HB2      ASP  96   0.526  -7.017 -10.217
  759    HB3  ASP  96           HB1      ASP  96   0.629  -5.288  -9.905
  760    H    TYR  97           HN       TYR  97   2.625  -7.784  -8.554
  761    HA   TYR  97           HA       TYR  97   2.883  -5.799  -6.494
  762    HB2  TYR  97           HB2      TYR  97   3.209  -8.788  -6.257
  763    HB3  TYR  97           HB1      TYR  97   2.848  -7.657  -4.958
  764    HD1  TYR  97           HD1      TYR  97   1.501  -9.701  -7.598
  765    HD2  TYR  97           HD2      TYR  97   0.592  -6.532  -4.916
  766    HE1  TYR  97           HE1      TYR  97  -0.895 -10.078  -7.982
  767    HE2  TYR  97           HE2      TYR  97  -1.812  -6.899  -5.292
  768    HH   TYR  97           HH       TYR  97  -3.279  -7.875  -7.004
  769    H    LEU  98           HN       LEU  98   4.943  -7.989  -8.257
  770    HA   LEU  98           HA       LEU  98   7.238  -7.841  -6.620
  771    HB2  LEU  98           HB2      LEU  98   7.295  -8.136  -9.612
  772    HB3  LEU  98           HB1      LEU  98   8.450  -8.751  -8.449
  773    HG   LEU  98           HG       LEU  98   5.690  -9.792  -9.039
  774   HD11  LEU  98          HD11      LEU  98   6.905 -11.849  -9.542
  775   HD12  LEU  98          HD12      LEU  98   8.427 -11.037  -9.174
  776   HD13  LEU  98          HD13      LEU  98   7.454 -10.506 -10.545
  777   HD21  LEU  98          HD21      LEU  98   5.984  -9.805  -6.625
  778   HD22  LEU  98          HD22      LEU  98   7.538 -10.621  -6.808
  779   HD23  LEU  98          HD23      LEU  98   6.048 -11.442  -7.278
  780    H    LYS  99           HN       LYS  99   5.902  -5.818  -9.101
  781    HA   LYS  99           HA       LYS  99   8.028  -4.124  -9.665
  782    HB2  LYS  99           HB2      LYS  99   5.848  -4.137 -10.826
  783    HB3  LYS  99           HB1      LYS  99   5.102  -3.406  -9.415
  784    HG2  LYS  99           HG2      LYS  99   6.537  -1.433  -9.705
  785    HG3  LYS  99           HG1      LYS  99   7.225  -2.170 -11.152
  786    HD2  LYS  99           HD2      LYS  99   4.323  -1.455 -10.736
  787    HD3  LYS  99           HD1      LYS  99   5.477  -0.558 -11.722
  788    HE2  LYS  99           HE2      LYS  99   5.750  -2.508 -13.176
  789    HE3  LYS  99           HE1      LYS  99   4.606  -3.409 -12.185
  790    HZ1  LYS  99           HZ1      LYS  99   3.504  -2.563 -14.118
  791    HZ2  LYS  99           HZ2      LYS  99   4.016  -0.988 -13.795
  792    HZ3  LYS  99           HZ3      LYS  99   2.912  -1.745 -12.763
  793    H    GLU 100           HN       GLU 100   5.591  -3.902  -7.101
  794    HA   GLU 100           HA       GLU 100   6.566  -1.560  -5.885
  795    HB2  GLU 100           HB2      GLU 100   5.095  -3.876  -4.612
  796    HB3  GLU 100           HB1      GLU 100   5.281  -2.273  -3.913
  797    HG2  GLU 100           HG2      GLU 100   3.750  -3.011  -6.394
  798    HG3  GLU 100           HG1      GLU 100   3.095  -2.454  -4.854
  799    H    GLU 101           HN       GLU 101   7.212  -4.981  -5.307
  800    HA   GLU 101           HA       GLU 101   9.006  -4.704  -3.181
  801    HB2  GLU 101           HB2      GLU 101   8.944  -6.800  -5.351
  802    HB3  GLU 101           HB1      GLU 101   9.822  -6.937  -3.836
  803    HG2  GLU 101           HG2      GLU 101   7.804  -6.994  -2.581
  804    HG3  GLU 101           HG1      GLU 101   6.844  -6.575  -4.000
  805    H    LEU 102           HN       LEU 102   9.481  -4.397  -6.656
  806    HA   LEU 102           HA       LEU 102  12.310  -4.477  -6.578
  807    HB2  LEU 102           HB2      LEU 102  10.425  -3.328  -8.634
  808    HB3  LEU 102           HB1      LEU 102  12.161  -3.450  -8.858
  809    HG   LEU 102           HG       LEU 102  10.202  -5.723  -8.558
  810   HD11  LEU 102          HD11      LEU 102  10.936  -6.313 -10.805
  811   HD12  LEU 102          HD12      LEU 102  11.994  -4.902 -10.837
  812   HD13  LEU 102          HD13      LEU 102  10.244  -4.691 -10.764
  813   HD21  LEU 102          HD21      LEU 102  12.208  -6.319  -7.364
  814   HD22  LEU 102          HD22      LEU 102  13.211  -5.795  -8.715
  815   HD23  LEU 102          HD23      LEU 102  12.158  -7.198  -8.890
  816    H    ASN 103           HN       ASN 103  10.168  -2.164  -5.473
  817    HA   ASN 103           HA       ASN 103  12.149  -0.033  -5.615
  818    HB2  ASN 103           HB2      ASN 103   9.464  -0.122  -4.205
  819    HB3  ASN 103           HB1      ASN 103  10.523   1.281  -4.268
  820   HD21  ASN 103          HD21      ASN 103   8.251  -0.660  -5.954
  821   HD22  ASN 103          HD22      ASN 103   8.084   0.354  -7.343
  822    H    TYR 104           HN       TYR 104  10.513  -2.065  -3.192
  823    HA   TYR 104           HA       TYR 104  12.909  -1.833  -1.505
  824    HB2  TYR 104           HB2      TYR 104  10.144  -1.798  -0.303
  825    HB3  TYR 104           HB1      TYR 104  11.669  -1.372   0.460
  826    HD1  TYR 104           HD1      TYR 104  12.781   0.803  -0.166
  827    HD2  TYR 104           HD2      TYR 104   8.853  -0.196  -1.457
  828    HE1  TYR 104           HE1      TYR 104  12.363   3.164  -0.704
  829    HE2  TYR 104           HE2      TYR 104   8.425   2.161  -1.995
  830    HH   TYR 104           HH       TYR 104   9.221   4.349  -1.457
  831    H    LEU 105           HN       LEU 105  13.660  -3.869  -1.272
  832    HA   LEU 105           HA       LEU 105  12.005  -5.868  -0.125
  833    HB2  LEU 105           HB2      LEU 105  11.903  -7.510  -1.792
  834    HB3  LEU 105           HB1      LEU 105  11.405  -6.033  -2.574
  835    HG   LEU 105           HG       LEU 105  12.669  -7.183  -4.163
  836   HD11  LEU 105          HD11      LEU 105  13.275  -4.862  -4.126
  837   HD12  LEU 105          HD12      LEU 105  14.667  -5.851  -4.571
  838   HD13  LEU 105          HD13      LEU 105  14.544  -5.183  -2.944
  839   HD21  LEU 105          HD21      LEU 105  14.894  -8.123  -3.793
  840   HD22  LEU 105          HD22      LEU 105  13.672  -8.864  -2.761
  841   HD23  LEU 105          HD23      LEU 105  14.791  -7.677  -2.089
  842    H    LYS 106           HN       LYS 106  13.140  -7.309   1.004
  843    HA   LYS 106           HA       LYS 106  15.905  -7.885   0.323
  844    HB2  LYS 106           HB2      LYS 106  15.072  -6.865   3.053
  845    HB3  LYS 106           HB1      LYS 106  16.620  -7.620   2.706
  846    HG2  LYS 106           HG2      LYS 106  17.112  -5.814   1.108
  847    HG3  LYS 106           HG1      LYS 106  15.584  -5.046   1.536
  848    HD2  LYS 106           HD2      LYS 106  17.319  -3.958   2.762
  849    HD3  LYS 106           HD1      LYS 106  16.394  -4.936   3.901
  850    HE2  LYS 106           HE2      LYS 106  18.090  -6.596   3.976
  851    HE3  LYS 106           HE1      LYS 106  18.937  -5.885   2.602
  852    HZ1  LYS 106           HZ1      LYS 106  20.045  -5.325   4.654
  853    HZ2  LYS 106           HZ2      LYS 106  18.628  -4.655   5.288
  854    HZ3  LYS 106           HZ3      LYS 106  19.390  -3.926   3.963
  855    H    GLU 107           HN       GLU 107  16.571  -9.928   1.132
  856    HA   GLU 107           HA       GLU 107  14.479 -11.808   1.215
  857    HB2  GLU 107           HB2      GLU 107  16.827 -12.251   0.419
  858    HB3  GLU 107           HB1      GLU 107  17.325 -12.277   2.107
  859    HG2  GLU 107           HG2      GLU 107  15.517 -14.081   2.394
  860    HG3  GLU 107           HG1      GLU 107  15.567 -14.202   0.637
  861    H    GLY 108           HN       GLY 108  13.352 -12.672   2.859
  862    HA2  GLY 108           HA2      GLY 108  12.933 -13.389   5.035
  863    HA3  GLY 108           HA1      GLY 108  14.431 -12.635   5.549
  864    H    MET 109           HN       MET 109  12.879 -10.348   3.784
  865    HA   MET 109           HA       MET 109  12.197  -8.823   6.104
  866    HB2  MET 109           HB2      MET 109  13.074  -7.878   3.954
  867    HB3  MET 109           HB1      MET 109  11.514  -8.226   3.226
  868    HG2  MET 109           HG2      MET 109  10.438  -6.736   4.830
  869    HG3  MET 109           HG1      MET 109  12.006  -6.376   5.546
  870    HE1  MET 109           HE1      MET 109  11.026  -6.785   1.703
  871    HE2  MET 109           HE2      MET 109  10.671  -5.101   1.316
  872    HE3  MET 109           HE3      MET 109   9.664  -5.972   2.472
  873    H    GLU 110           HN       GLU 110  10.177  -8.220   6.860
  874    HA   GLU 110           HA       GLU 110   8.032 -10.043   6.062
  875    HB2  GLU 110           HB2      GLU 110   8.804 -10.024   8.423
  876    HB3  GLU 110           HB1      GLU 110   8.301  -8.345   8.543
  877    HG2  GLU 110           HG2      GLU 110   5.997  -8.979   8.179
  878    HG3  GLU 110           HG1      GLU 110   6.474 -10.664   7.955
  879    H    VAL 111           HN       VAL 111   6.462  -9.293   4.831
  880    HA   VAL 111           HA       VAL 111   5.950  -6.390   4.776
  881    HB   VAL 111           HB       VAL 111   5.116  -6.646   2.517
  882   HG11  VAL 111          HG11      VAL 111   7.182  -7.294   1.357
  883   HG12  VAL 111          HG12      VAL 111   7.792  -7.995   2.857
  884   HG13  VAL 111          HG13      VAL 111   7.500  -6.261   2.749
  885   HG21  VAL 111          HG21      VAL 111   4.146  -8.869   2.710
  886   HG22  VAL 111          HG22      VAL 111   5.757  -9.579   2.809
  887   HG23  VAL 111          HG23      VAL 111   5.234  -8.783   1.325
  888    H    GLN 112           HN       GLN 112   3.665  -5.815   4.202
  889    HA   GLN 112           HA       GLN 112   1.818  -7.661   5.560
  890    HB2  GLN 112           HB2      GLN 112   2.002  -5.511   6.682
  891    HB3  GLN 112           HB1      GLN 112   1.647  -4.667   5.180
  892    HG2  GLN 112           HG2      GLN 112  -0.592  -5.656   5.161
  893    HG3  GLN 112           HG1      GLN 112  -0.233  -6.482   6.675
  894   HE21  GLN 112          HE21      GLN 112   0.895  -3.264   5.997
  895   HE22  GLN 112          HE22      GLN 112  -0.128  -2.452   7.129
  896    H    ILE 113           HN       ILE 113   0.851  -8.878   4.049
  897    HA   ILE 113           HA       ILE 113   0.163  -7.676   1.487
  898    HB   ILE 113           HB       ILE 113   0.021 -10.553   2.404
  899   HG12  ILE 113          HG12      ILE 113   1.831  -9.106   0.453
  900   HG13  ILE 113          HG11      ILE 113   2.295  -9.749   2.025
  901   HG21  ILE 113          HG21      ILE 113  -1.779 -10.099   0.825
  902   HG22  ILE 113          HG22      ILE 113  -0.535 -11.096   0.071
  903   HG23  ILE 113          HG23      ILE 113  -0.630  -9.374  -0.300
  904   HD11  ILE 113          HD11      ILE 113   1.869 -12.010   1.227
  905   HD12  ILE 113          HD12      ILE 113   3.054 -11.180   0.218
  906   HD13  ILE 113          HD13      ILE 113   1.393 -11.368  -0.344
  907    H    GLN 114           HN       GLN 114  -1.813  -7.063   0.975
  908    HA   GLN 114           HA       GLN 114  -3.890  -7.389   3.003
  909    HB2  GLN 114           HB2      GLN 114  -3.064  -5.115   2.188
  910    HB3  GLN 114           HB1      GLN 114  -3.873  -5.482   0.673
  911    HG2  GLN 114           HG2      GLN 114  -5.984  -5.409   1.645
  912    HG3  GLN 114           HG1      GLN 114  -5.336  -5.559   3.280
  913   HE21  GLN 114          HE21      GLN 114  -4.401  -3.776   4.265
  914   HE22  GLN 114          HE22      GLN 114  -4.669  -2.166   3.688
  915    H    THR 115           HN       THR 115  -5.466  -8.790   2.632
  916    HA   THR 115           HA       THR 115  -5.906  -9.672  -0.134
  917    HB   THR 115           HB       THR 115  -6.575 -11.869   0.815
  918    HG1  THR 115           HG1      THR 115  -5.852 -10.550   3.222
  919   HG21  THR 115          HG21      THR 115  -4.306 -11.532  -0.016
  920   HG22  THR 115          HG22      THR 115  -4.302 -12.613   1.380
  921   HG23  THR 115          HG23      THR 115  -3.807 -10.929   1.566
  922    H    TYR 116           HN       TYR 116  -7.985 -10.262  -0.763
  923    HA   TYR 116           HA       TYR 116 -10.194  -9.464   0.995
  924    HB2  TYR 116           HB2      TYR 116  -9.947  -7.701  -0.629
  925    HB3  TYR 116           HB1      TYR 116  -9.817  -8.858  -1.944
  926    HD1  TYR 116           HD1      TYR 116 -12.255  -8.135   0.813
  927    HD2  TYR 116           HD2      TYR 116 -11.638  -8.959  -3.313
  928    HE1  TYR 116           HE1      TYR 116 -14.678  -7.976   0.425
  929    HE2  TYR 116           HE2      TYR 116 -14.054  -8.801  -3.712
  930    HH   TYR 116           HH       TYR 116 -16.130  -8.958  -2.537
  931    H    GLU 117           HN       GLU 117 -10.908 -11.424   1.545
  932    HA   GLU 117           HA       GLU 117 -11.841 -13.483   1.439
  933    HB2  GLU 117           HB2      GLU 117 -13.374 -12.208  -0.150
  934    HB3  GLU 117           HB1      GLU 117 -12.451 -12.920  -1.466
  935    HG2  GLU 117           HG2      GLU 117 -13.065 -15.153  -0.681
  936    HG3  GLU 117           HG1      GLU 117 -13.995 -14.432   0.631
  937    H    GLY 118           HN       GLY 118  -9.029 -13.013   0.724
  938    HA2  GLY 118           HA2      GLY 118  -7.451 -14.815   0.537
  939    HA3  GLY 118           HA1      GLY 118  -8.545 -15.606  -0.587
  940    H    GLU 119           HN       GLU 119  -8.981 -12.957  -1.940
  941    HA   GLU 119           HA       GLU 119  -6.896 -13.311  -3.892
  942    HB2  GLU 119           HB2      GLU 119  -9.292 -12.869  -4.453
  943    HB3  GLU 119           HB1      GLU 119  -9.106 -11.250  -3.800
  944    HG2  GLU 119           HG2      GLU 119  -7.417 -10.765  -5.499
  945    HG3  GLU 119           HG1      GLU 119  -7.624 -12.389  -6.159
  946    H    THR 120           HN       THR 120  -5.049 -12.154  -4.035
  947    HA   THR 120           HA       THR 120  -4.412 -10.208  -2.059
  948    HB   THR 120           HB       THR 120  -2.321  -9.868  -3.381
  949    HG1  THR 120           HG1      THR 120  -3.140 -10.309  -5.467
  950   HG21  THR 120          HG21      THR 120  -1.435 -12.135  -3.013
  951   HG22  THR 120          HG22      THR 120  -3.083 -12.737  -2.822
  952   HG23  THR 120          HG23      THR 120  -2.423 -11.587  -1.659
  953    H    ILE 121           HN       ILE 121  -5.184  -8.193  -2.051
  954    HA   ILE 121           HA       ILE 121  -5.863  -6.949  -4.609
  955    HB   ILE 121           HB       ILE 121  -7.075  -5.267  -3.235
  956   HG12  ILE 121          HG12      ILE 121  -6.379  -7.153  -0.971
  957   HG13  ILE 121          HG11      ILE 121  -5.784  -5.508  -1.160
  958   HG21  ILE 121          HG21      ILE 121  -8.158  -7.266  -4.227
  959   HG22  ILE 121          HG22      ILE 121  -8.957  -6.675  -2.772
  960   HG23  ILE 121          HG23      ILE 121  -7.927  -8.103  -2.689
  961   HD11  ILE 121          HD11      ILE 121  -8.659  -6.280  -0.752
  962   HD12  ILE 121          HD12      ILE 121  -8.018  -4.644  -0.860
  963   HD13  ILE 121          HD13      ILE 121  -7.571  -5.678   0.495
  964    H    GLY 122           HN       GLY 122  -3.679  -6.665  -1.918
  965    HA2  GLY 122           HA2      GLY 122  -2.085  -4.791  -3.409
  966    HA3  GLY 122           HA1      GLY 122  -2.839  -4.072  -1.997
  967    H    VAL 123           HN       VAL 123  -0.104  -4.205  -2.301
  968    HA   VAL 123           HA       VAL 123   0.588  -5.972  -0.060
  969    HB   VAL 123           HB       VAL 123   2.273  -5.637  -2.550
  970   HG11  VAL 123          HG11      VAL 123   3.800  -7.243  -1.440
  971   HG12  VAL 123          HG12      VAL 123   2.830  -7.100   0.027
  972   HG13  VAL 123          HG13      VAL 123   3.693  -5.696  -0.600
  973   HG21  VAL 123          HG21      VAL 123   0.391  -7.197  -2.811
  974   HG22  VAL 123          HG22      VAL 123   0.955  -8.095  -1.403
  975   HG23  VAL 123          HG23      VAL 123   1.946  -8.023  -2.858
  976    H    GLU 124           HN       GLU 124   1.509  -4.887   1.532
  977    HA   GLU 124           HA       GLU 124   2.550  -2.210   0.945
  978    HB2  GLU 124           HB2      GLU 124   1.439  -3.399   3.483
  979    HB3  GLU 124           HB1      GLU 124   2.186  -1.810   3.385
  980    HG2  GLU 124           HG2      GLU 124   0.488  -1.114   1.764
  981    HG3  GLU 124           HG1      GLU 124  -0.271  -2.699   1.897
  982    H    LEU 125           HN       LEU 125   4.644  -1.927   1.035
  983    HA   LEU 125           HA       LEU 125   6.410  -3.867   2.211
  984    HB2  LEU 125           HB2      LEU 125   6.946  -1.132   1.024
  985    HB3  LEU 125           HB1      LEU 125   8.193  -2.226   1.577
  986    HG   LEU 125           HG       LEU 125   8.149  -2.421  -0.770
  987   HD11  LEU 125          HD11      LEU 125   6.569  -4.740   0.317
  988   HD12  LEU 125          HD12      LEU 125   8.322  -4.555   0.386
  989   HD13  LEU 125          HD13      LEU 125   7.513  -4.728  -1.172
  990   HD21  LEU 125          HD21      LEU 125   5.162  -2.774  -0.599
  991   HD22  LEU 125          HD22      LEU 125   6.129  -2.910  -2.068
  992   HD23  LEU 125          HD23      LEU 125   6.019  -1.364  -1.225
  993    HA   PRO 126           HA       PRO 126   6.773  -2.261   6.317
  994    HB2  PRO 126           HB2      PRO 126   9.716  -2.140   5.915
  995    HB3  PRO 126           HB1      PRO 126   8.786  -2.967   7.169
  996    HG2  PRO 126           HG2      PRO 126   9.928  -4.339   5.195
  997    HG3  PRO 126           HG1      PRO 126   8.327  -4.789   5.815
  998    HD2  PRO 126           HD2      PRO 126   9.051  -3.345   3.302
  999    HD3  PRO 126           HD1      PRO 126   7.779  -4.548   3.587
 1000    H    LYS 127           HN       LYS 127   6.363  -0.262   6.917
 1001    HA   LYS 127           HA       LYS 127   6.763   1.971   5.324
 1002    HB2  LYS 127           HB2      LYS 127   6.077   1.696   8.234
 1003    HB3  LYS 127           HB1      LYS 127   6.302   3.278   7.503
 1004    HG2  LYS 127           HG2      LYS 127   3.977   2.820   7.482
 1005    HG3  LYS 127           HG1      LYS 127   4.552   2.659   5.823
 1006    HD2  LYS 127           HD2      LYS 127   4.657   0.208   6.137
 1007    HD3  LYS 127           HD1      LYS 127   3.994   0.414   7.759
 1008    HE2  LYS 127           HE2      LYS 127   2.002   1.502   6.734
 1009    HE3  LYS 127           HE1      LYS 127   2.655   1.101   5.146
 1010    HZ1  LYS 127           HZ1      LYS 127   1.110  -0.579   5.718
 1011    HZ2  LYS 127           HZ2      LYS 127   1.781  -0.775   7.266
 1012    HZ3  LYS 127           HZ3      LYS 127   2.652  -1.265   5.903
 1013    H    THR 128           HN       THR 128   8.742   0.741   7.964
 1014    HA   THR 128           HA       THR 128  10.814   2.628   7.072
 1015    HB   THR 128           HB       THR 128  11.899   2.200   9.305
 1016    HG1  THR 128           HG1      THR 128  10.608   0.231   9.673
 1017   HG21  THR 128          HG21      THR 128  10.593   4.236   8.897
 1018   HG22  THR 128          HG22      THR 128  10.402   3.683  10.561
 1019   HG23  THR 128          HG23      THR 128   9.122   3.391   9.383
 1020    H    VAL 129           HN       VAL 129  12.073   1.576   5.668
 1021    HA   VAL 129           HA       VAL 129  12.924  -1.151   6.389
 1022    HB   VAL 129           HB       VAL 129  11.415  -1.142   4.440
 1023   HG11  VAL 129          HG11      VAL 129  12.169  -0.208   2.299
 1024   HG12  VAL 129          HG12      VAL 129  13.557   0.512   3.114
 1025   HG13  VAL 129          HG13      VAL 129  11.925   1.044   3.517
 1026   HG21  VAL 129          HG21      VAL 129  12.847  -2.465   2.939
 1027   HG22  VAL 129          HG22      VAL 129  13.064  -2.900   4.635
 1028   HG23  VAL 129          HG23      VAL 129  14.266  -1.898   3.820
 1029    H    GLU 130           HN       GLU 130  15.080  -1.580   6.339
 1030    HA   GLU 130           HA       GLU 130  16.810   0.734   5.936
 1031    HB2  GLU 130           HB2      GLU 130  18.517  -0.679   7.148
 1032    HB3  GLU 130           HB1      GLU 130  17.120  -0.180   8.089
 1033    HG2  GLU 130           HG2      GLU 130  16.119  -2.410   7.687
 1034    HG3  GLU 130           HG1      GLU 130  17.610  -2.888   6.875
 1035    H    LEU 131           HN       LEU 131  17.518   0.934   3.964
 1036    HA   LEU 131           HA       LEU 131  18.455  -1.460   2.535
 1037    HB2  LEU 131           HB2      LEU 131  17.531   1.164   1.358
 1038    HB3  LEU 131           HB1      LEU 131  17.972  -0.277   0.465
 1039    HG   LEU 131           HG       LEU 131  15.559   0.068   2.243
 1040   HD11  LEU 131          HD11      LEU 131  14.342  -0.307   0.121
 1041   HD12  LEU 131          HD12      LEU 131  15.880  -0.235  -0.735
 1042   HD13  LEU 131          HD13      LEU 131  15.287   1.179   0.137
 1043   HD21  LEU 131          HD21      LEU 131  16.390  -2.190   2.461
 1044   HD22  LEU 131          HD22      LEU 131  16.505  -2.347   0.709
 1045   HD23  LEU 131          HD23      LEU 131  14.926  -2.184   1.478
 1046    H    THR 132           HN       THR 132  20.549  -1.539   2.036
 1047    HA   THR 132           HA       THR 132  22.307   0.563   2.878
 1048    HB   THR 132           HB       THR 132  23.150  -1.727   1.128
 1049    HG1  THR 132           HG1      THR 132  21.783  -2.594   2.789
 1050   HG21  THR 132          HG21      THR 132  24.805  -0.032   1.784
 1051   HG22  THR 132          HG22      THR 132  25.173  -1.606   2.488
 1052   HG23  THR 132          HG23      THR 132  24.444  -0.345   3.481
 1053    H    VAL 133           HN       VAL 133  23.132   2.202   1.668
 1054    HA   VAL 133           HA       VAL 133  22.232   2.473  -1.048
 1055    HB   VAL 133           HB       VAL 133  22.285   4.482   0.245
 1056   HG11  VAL 133          HG11      VAL 133  24.350   5.471   1.104
 1057   HG12  VAL 133          HG12      VAL 133  25.238   4.029   0.609
 1058   HG13  VAL 133          HG13      VAL 133  23.998   3.915   1.858
 1059   HG21  VAL 133          HG21      VAL 133  24.488   4.526  -1.816
 1060   HG22  VAL 133          HG22      VAL 133  23.638   5.939  -1.189
 1061   HG23  VAL 133          HG23      VAL 133  22.762   4.728  -2.125
 1062    H    THR 134           HN       THR 134  23.121   1.259  -2.511
 1063    HA   THR 134           HA       THR 134  26.043   0.990  -2.566
 1064    HB   THR 134           HB       THR 134  25.524  -0.964  -4.139
 1065    HG1  THR 134           HG1      THR 134  23.422  -0.908  -4.613
 1066   HG21  THR 134          HG21      THR 134  26.323  -1.295  -1.858
 1067   HG22  THR 134          HG22      THR 134  25.109  -2.507  -2.267
 1068   HG23  THR 134          HG23      THR 134  24.677  -1.136  -1.244
 1069    H    GLU 135           HN       GLU 135  27.070   2.006  -4.106
 1070    HA   GLU 135           HA       GLU 135  27.614   3.050  -6.027
 1071    HB2  GLU 135           HB2      GLU 135  24.948   2.083  -7.063
 1072    HB3  GLU 135           HB1      GLU 135  26.181   2.878  -8.031
 1073    HG2  GLU 135           HG2      GLU 135  27.736   1.039  -7.504
 1074    HG3  GLU 135           HG1      GLU 135  26.440   0.231  -6.624
 1075    H    THR 136           HN       THR 136  27.727   5.012  -5.197
 1076    HA   THR 136           HA       THR 136  25.721   6.873  -6.134
 1077    HB   THR 136           HB       THR 136  25.051   6.365  -3.750
 1078    HG1  THR 136           HG1      THR 136  24.559   8.375  -4.779
 1079   HG21  THR 136          HG21      THR 136  27.250   6.082  -2.750
 1080   HG22  THR 136          HG22      THR 136  26.390   7.400  -1.957
 1081   HG23  THR 136          HG23      THR 136  27.661   7.754  -3.127
 1082    H    GLU 137           HN       GLU 137  26.572   9.103  -6.088
 1083    HA   GLU 137           HA       GLU 137  29.243   8.952  -7.168
 1084    HB2  GLU 137           HB2      GLU 137  27.307  11.266  -6.964
 1085    HB3  GLU 137           HB1      GLU 137  28.807  11.273  -7.876
 1086    HG2  GLU 137           HG2      GLU 137  26.508   9.407  -8.410
 1087    HG3  GLU 137           HG1      GLU 137  26.786  10.927  -9.257
 1088    HA   PRO 138           HA       PRO 138  31.392  10.857  -3.734
 1089    HB2  PRO 138           HB2      PRO 138  33.069  12.283  -5.676
 1090    HB3  PRO 138           HB1      PRO 138  33.524  11.042  -4.505
 1091    HG2  PRO 138           HG2      PRO 138  33.477  10.563  -7.156
 1092    HG3  PRO 138           HG1      PRO 138  33.080   9.317  -5.960
 1093    HD2  PRO 138           HD2      PRO 138  31.250  10.974  -7.654
 1094    HD3  PRO 138           HD1      PRO 138  31.147   9.252  -7.230
 1095    H    GLY 139           HN       GLY 139  32.125  13.090  -3.027
 1096    HA2  GLY 139           HA2      GLY 139  31.927  15.499  -3.541
 1097    HA3  GLY 139           HA1      GLY 139  30.335  15.132  -4.182
 1098    H    ILE 140           HN       ILE 140  31.574  13.701  -1.220
 1099    HA   ILE 140           HA       ILE 140  29.365  14.593   0.306
 1100    HB   ILE 140           HB       ILE 140  30.564  13.769   2.273
 1101   HG12  ILE 140          HG12      ILE 140  32.894  13.404   0.375
 1102   HG13  ILE 140          HG11      ILE 140  32.821  14.523   1.730
 1103   HG21  ILE 140          HG21      ILE 140  30.810  11.950  -0.118
 1104   HG22  ILE 140          HG22      ILE 140  29.375  12.173   0.883
 1105   HG23  ILE 140          HG23      ILE 140  30.823  11.433   1.567
 1106   HD11  ILE 140          HD11      ILE 140  32.706  12.642   3.276
 1107   HD12  ILE 140          HD12      ILE 140  34.151  12.567   2.267
 1108   HD13  ILE 140          HD13      ILE 140  32.775  11.520   1.918
 1109    H    LYS 141           HN       LYS 141  29.211  16.236   1.849
 1110    HA   LYS 141           HA       LYS 141  31.370  18.191   1.945
 1111    HB2  LYS 141           HB2      LYS 141  30.037  18.837   0.002
 1112    HB3  LYS 141           HB1      LYS 141  28.576  18.820   0.979
 1113    HG2  LYS 141           HG2      LYS 141  29.471  20.662   2.327
 1114    HG3  LYS 141           HG1      LYS 141  30.910  20.694   1.305
 1115    HD2  LYS 141           HD2      LYS 141  29.543  21.222  -0.636
 1116    HD3  LYS 141           HD1      LYS 141  28.084  21.130   0.350
 1117    HE2  LYS 141           HE2      LYS 141  28.919  22.991   1.724
 1118    HE3  LYS 141           HE1      LYS 141  30.340  23.098   0.685
 1119    HZ1  LYS 141           HZ1      LYS 141  27.529  23.504  -0.181
 1120    HZ2  LYS 141           HZ2      LYS 141  28.887  23.604  -1.179
 1121    HZ3  LYS 141           HZ3      LYS 141  28.670  24.724   0.066
 1122    H    GLY 142           HN       GLY 142  31.650  18.704   4.000
 1123    HA2  GLY 142           HA2      GLY 142  31.086  19.724   6.007
 1124    HA3  GLY 142           HA1      GLY 142  29.394  19.616   5.560
 1125    H    ASP 143           HN       ASP 143  29.968  16.650   5.005
 1126    HA   ASP 143           HA       ASP 143  29.775  14.648   6.039
 1127    HB2  ASP 143           HB2      ASP 143  31.082  16.093   8.349
 1128    HB3  ASP 143           HB1      ASP 143  30.736  14.367   8.342
 1129    H    THR 144           HN       THR 144  29.136  16.890   8.727
 1130    HA   THR 144           HA       THR 144  26.678  15.488   9.340
 1131    HB   THR 144           HB       THR 144  28.058  16.284  11.185
 1132    HG1  THR 144           HG1      THR 144  26.039  16.318  11.925
 1133   HG21  THR 144          HG21      THR 144  28.329  18.679  11.636
 1134   HG22  THR 144          HG22      THR 144  27.526  19.056  10.112
 1135   HG23  THR 144          HG23      THR 144  29.079  18.222  10.107
 1136    H    ALA 145           HN       ALA 145  27.697  18.226   7.541
 1137    HA   ALA 145           HA       ALA 145  25.402  19.844   7.676
 1138    HB1  ALA 145           HB1      ALA 145  27.592  20.620   6.857
 1139    HB2  ALA 145           HB2      ALA 145  26.279  20.984   5.738
 1140    HB3  ALA 145           HB3      ALA 145  27.373  19.640   5.407
 1141    H    THR 146           HN       THR 146  23.442  19.235   7.134
 1142    HA   THR 146           HA       THR 146  23.045  17.320   4.966
 1143    HB   THR 146           HB       THR 146  20.972  18.471   6.843
 1144    HG1  THR 146           HG1      THR 146  22.966  17.057   7.591
 1145   HG21  THR 146          HG21      THR 146  20.064  17.419   4.822
 1146   HG22  THR 146          HG22      THR 146  19.703  16.454   6.252
 1147   HG23  THR 146          HG23      THR 146  20.994  15.960   5.157
 1148    H    GLY 147           HN       GLY 147  23.559  18.756   3.240
 1149    HA2  GLY 147           HA2      GLY 147  21.259  20.387   2.461
 1150    HA3  GLY 147           HA1      GLY 147  22.831  21.171   2.503
 1151    H    ALA 148           HN       ALA 148  20.878  20.430   0.314
 1152    HA   ALA 148           HA       ALA 148  20.954  19.889  -1.880
 1153    HB1  ALA 148           HB1      ALA 148  23.102  21.060  -1.915
 1154    HB2  ALA 148           HB2      ALA 148  23.075  19.696  -3.033
 1155    HB3  ALA 148           HB3      ALA 148  23.921  19.557  -1.493
 1156    H    THR 149           HN       THR 149  21.024  18.048  -3.306
 1157    HA   THR 149           HA       THR 149  21.423  15.549  -1.819
 1158    HB   THR 149           HB       THR 149  19.539  14.657  -3.338
 1159    HG1  THR 149           HG1      THR 149  18.479  17.237  -3.266
 1160   HG21  THR 149          HG21      THR 149  17.838  15.382  -1.712
 1161   HG22  THR 149          HG22      THR 149  18.951  16.609  -1.108
 1162   HG23  THR 149          HG23      THR 149  19.339  14.899  -0.918
 1163    H    LYS 150           HN       LYS 150  21.552  13.644  -3.167
 1164    HA   LYS 150           HA       LYS 150  23.069  14.014  -5.647
 1165    HB2  LYS 150           HB2      LYS 150  24.662  13.901  -3.808
 1166    HB3  LYS 150           HB1      LYS 150  23.876  12.467  -3.172
 1167    HG2  LYS 150           HG2      LYS 150  24.498  11.472  -5.513
 1168    HG3  LYS 150           HG1      LYS 150  25.701  12.766  -5.498
 1169    HD2  LYS 150           HD2      LYS 150  25.351  10.565  -3.470
 1170    HD3  LYS 150           HD1      LYS 150  26.708  10.799  -4.571
 1171    HE2  LYS 150           HE2      LYS 150  27.267  12.890  -3.422
 1172    HE3  LYS 150           HE1      LYS 150  25.914  12.641  -2.319
 1173    HZ1  LYS 150           HZ1      LYS 150  26.973  10.612  -1.536
 1174    HZ2  LYS 150           HZ2      LYS 150  28.000  11.937  -1.334
 1175    HZ3  LYS 150           HZ3      LYS 150  28.268  10.848  -2.603
 1176    H    SER 151           HN       SER 151  22.807  12.291  -7.081
 1177    HA   SER 151           HA       SER 151  20.544  10.601  -6.649
 1178    HB2  SER 151           HB2      SER 151  22.596  10.541  -8.875
 1179    HB3  SER 151           HB1      SER 151  21.014   9.764  -8.897
 1180    HG   SER 151           HG       SER 151  20.116  11.911  -8.636
 1181    H    ALA 152           HN       ALA 152  20.533   8.730  -5.634
 1182    HA   ALA 152           HA       ALA 152  23.015   7.141  -5.544
 1183    HB1  ALA 152           HB1      ALA 152  22.711   8.283  -3.407
 1184    HB2  ALA 152           HB2      ALA 152  22.500   6.541  -3.231
 1185    HB3  ALA 152           HB3      ALA 152  21.089   7.601  -3.268
 1186    H    THR 153           HN       THR 153  22.671   4.865  -5.081
 1187    HA   THR 153           HA       THR 153  19.948   3.915  -5.672
 1188    HB   THR 153           HB       THR 153  22.501   2.555  -6.569
 1189    HG1  THR 153           HG1      THR 153  21.603   4.726  -7.562
 1190   HG21  THR 153          HG21      THR 153  20.986   1.237  -7.985
 1191   HG22  THR 153          HG22      THR 153  19.604   2.094  -7.304
 1192   HG23  THR 153          HG23      THR 153  20.588   1.051  -6.277
 1193    H    VAL 154           HN       VAL 154  19.250   2.184  -4.425
 1194    HA   VAL 154           HA       VAL 154  21.051   1.415  -2.247
 1195    HB   VAL 154           HB       VAL 154  18.975   0.517  -1.138
 1196   HG11  VAL 154          HG11      VAL 154  18.142   2.741  -0.482
 1197   HG12  VAL 154          HG12      VAL 154  19.041   3.455  -1.821
 1198   HG13  VAL 154          HG13      VAL 154  19.903   2.664  -0.501
 1199   HG21  VAL 154          HG21      VAL 154  17.619   1.995  -3.390
 1200   HG22  VAL 154          HG22      VAL 154  16.815   1.348  -1.959
 1201   HG23  VAL 154          HG23      VAL 154  17.583   0.254  -3.110
 1202    H    GLU 155           HN       GLU 155  20.485  -0.882  -1.410
 1203    HA   GLU 155           HA       GLU 155  21.565  -2.646  -3.287
 1204    HB2  GLU 155           HB2      GLU 155  21.240  -4.360  -1.566
 1205    HB3  GLU 155           HB1      GLU 155  21.905  -2.880  -0.891
 1206    HG2  GLU 155           HG2      GLU 155  19.636  -2.253  -0.142
 1207    HG3  GLU 155           HG1      GLU 155  19.050  -3.813  -0.720
 1208    H    THR 156           HN       THR 156  18.333  -1.714  -2.901
 1209    HA   THR 156           HA       THR 156  17.214  -4.191  -3.892
 1210    HB   THR 156           HB       THR 156  15.058  -3.037  -3.797
 1211    HG1  THR 156           HG1      THR 156  14.916  -0.888  -3.368
 1212   HG21  THR 156          HG21      THR 156  16.776  -2.584  -1.358
 1213   HG22  THR 156          HG22      THR 156  15.884  -4.053  -1.752
 1214   HG23  THR 156          HG23      THR 156  15.014  -2.566  -1.377
 1215    H    GLY 157           HN       GLY 157  18.661  -1.464  -5.242
 1216    HA2  GLY 157           HA2      GLY 157  18.952  -1.074  -7.547
 1217    HA3  GLY 157           HA1      GLY 157  17.531  -2.057  -7.872
 1218    H    TYR 158           HN       TYR 158  16.783  -0.077  -5.361
 1219    HA   TYR 158           HA       TYR 158  15.130   1.617  -6.981
 1220    HB2  TYR 158           HB2      TYR 158  14.388   0.736  -4.782
 1221    HB3  TYR 158           HB1      TYR 158  15.636   1.696  -4.002
 1222    HD1  TYR 158           HD1      TYR 158  12.625   2.020  -6.160
 1223    HD2  TYR 158           HD2      TYR 158  15.165   3.868  -3.292
 1224    HE1  TYR 158           HE1      TYR 158  11.056   3.901  -5.991
 1225    HE2  TYR 158           HE2      TYR 158  13.601   5.758  -3.118
 1226    HH   TYR 158           HH       TYR 158  10.455   5.666  -4.387
 1227    H    THR 159           HN       THR 159  15.327   3.782  -7.336
 1228    HA   THR 159           HA       THR 159  17.962   4.933  -6.749
 1229    HB   THR 159           HB       THR 159  15.996   5.788  -8.877
 1230    HG1  THR 159           HG1      THR 159  16.671   3.904  -9.678
 1231   HG21  THR 159          HG21      THR 159  18.921   6.429  -8.470
 1232   HG22  THR 159          HG22      THR 159  17.572   7.539  -8.220
 1233   HG23  THR 159          HG23      THR 159  17.937   6.945  -9.840
 1234    H    LEU 160           HN       LEU 160  18.123   6.799  -5.590
 1235    HA   LEU 160           HA       LEU 160  15.759   8.406  -5.076
 1236    HB2  LEU 160           HB2      LEU 160  15.720   8.169  -2.741
 1237    HB3  LEU 160           HB1      LEU 160  15.811   6.537  -3.367
 1238    HG   LEU 160           HG       LEU 160  18.197   8.058  -2.314
 1239   HD11  LEU 160          HD11      LEU 160  16.580   7.763  -0.539
 1240   HD12  LEU 160          HD12      LEU 160  17.953   6.684  -0.300
 1241   HD13  LEU 160          HD13      LEU 160  16.433   6.050  -0.928
 1242   HD21  LEU 160          HD21      LEU 160  17.767   5.150  -2.996
 1243   HD22  LEU 160          HD22      LEU 160  19.171   5.779  -2.134
 1244   HD23  LEU 160          HD23      LEU 160  18.860   6.282  -3.792
 1245    H    ASN 161           HN       ASN 161  16.315  10.348  -3.754
 1246    HA   ASN 161           HA       ASN 161  19.032  11.240  -4.452
 1247    HB2  ASN 161           HB2      ASN 161  16.472  12.786  -4.022
 1248    HB3  ASN 161           HB1      ASN 161  18.047  13.560  -4.146
 1249   HD21  ASN 161          HD21      ASN 161  15.717  13.814  -5.864
 1250   HD22  ASN 161          HD22      ASN 161  16.239  13.365  -7.450
 1251    H    VAL 162           HN       VAL 162  20.372  11.081  -2.818
 1252    HA   VAL 162           HA       VAL 162  19.399  11.395  -0.064
 1253    HB   VAL 162           HB       VAL 162  21.510  10.264   0.584
 1254   HG11  VAL 162          HG11      VAL 162  19.891   8.762  -1.464
 1255   HG12  VAL 162          HG12      VAL 162  19.483   8.953   0.240
 1256   HG13  VAL 162          HG13      VAL 162  20.918   8.040  -0.227
 1257   HG21  VAL 162          HG21      VAL 162  21.927  10.031  -2.394
 1258   HG22  VAL 162          HG22      VAL 162  22.874   9.186  -1.171
 1259   HG23  VAL 162          HG23      VAL 162  22.921  10.949  -1.264
 1260    HA   PRO 163           HA       PRO 163  21.763  15.141   0.522
 1261    HB2  PRO 163           HB2      PRO 163  22.763  14.032   3.074
 1262    HB3  PRO 163           HB1      PRO 163  21.816  15.494   2.785
 1263    HG2  PRO 163           HG2      PRO 163  20.723  13.331   3.919
 1264    HG3  PRO 163           HG1      PRO 163  19.804  14.355   2.800
 1265    HD2  PRO 163           HD2      PRO 163  21.106  11.704   2.312
 1266    HD3  PRO 163           HD1      PRO 163  19.540  12.312   1.738
 1267    H    LEU 164           HN       LEU 164  23.919  15.892   0.479
 1268    HA   LEU 164           HA       LEU 164  25.516  14.339  -1.167
 1269    HB2  LEU 164           HB2      LEU 164  26.344  16.731   0.463
 1270    HB3  LEU 164           HB1      LEU 164  27.244  16.061  -0.883
 1271    HG   LEU 164           HG       LEU 164  24.563  17.429  -0.974
 1272   HD11  LEU 164          HD11      LEU 164  27.220  18.094  -2.225
 1273   HD12  LEU 164          HD12      LEU 164  26.530  18.870  -0.801
 1274   HD13  LEU 164          HD13      LEU 164  25.732  19.032  -2.366
 1275   HD21  LEU 164          HD21      LEU 164  26.043  15.946  -3.137
 1276   HD22  LEU 164          HD22      LEU 164  24.742  17.094  -3.443
 1277   HD23  LEU 164          HD23      LEU 164  24.417  15.622  -2.527
 1278    H    PHE 165           HN       PHE 165  25.512  14.382   2.299
 1279    HA   PHE 165           HA       PHE 165  28.252  13.539   2.535
 1280    HB2  PHE 165           HB2      PHE 165  27.799  13.361   4.939
 1281    HB3  PHE 165           HB1      PHE 165  27.268  14.906   4.293
 1282    HD1  PHE 165           HD1      PHE 165  26.024  11.549   5.306
 1283    HD2  PHE 165           HD2      PHE 165  25.084  15.646   4.629
 1284    HE1  PHE 165           HE1      PHE 165  23.811  11.203   6.315
 1285    HE2  PHE 165           HE2      PHE 165  22.868  15.302   5.636
 1286    HZ   PHE 165           HZ       PHE 165  22.228  13.080   6.480
 1287    H    VAL 166           HN       VAL 166  25.372  11.948   1.820
 1288    HA   VAL 166           HA       VAL 166  25.826   9.505   3.197
 1289    HB   VAL 166           HB       VAL 166  24.160  10.037   0.736
 1290   HG11  VAL 166          HG11      VAL 166  24.758   7.680   0.883
 1291   HG12  VAL 166          HG12      VAL 166  23.050   7.911   1.269
 1292   HG13  VAL 166          HG13      VAL 166  24.221   7.637   2.562
 1293   HG21  VAL 166          HG21      VAL 166  22.283   9.922   2.369
 1294   HG22  VAL 166          HG22      VAL 166  23.359  11.296   2.616
 1295   HG23  VAL 166          HG23      VAL 166  23.475   9.884   3.667
 1296    H    ASN 167           HN       ASN 167  27.014   7.814   2.705
 1297    HA   ASN 167           HA       ASN 167  28.534   7.843   0.195
 1298    HB2  ASN 167           HB2      ASN 167  30.429   6.891   1.505
 1299    HB3  ASN 167           HB1      ASN 167  29.977   8.507   2.029
 1300   HD21  ASN 167          HD21      ASN 167  31.410   6.413   3.454
 1301   HD22  ASN 167          HD22      ASN 167  30.510   6.121   4.900
 1302    H    GLU 168           HN       GLU 168  29.244   5.757  -0.562
 1303    HA   GLU 168           HA       GLU 168  27.203   3.854  -0.646
 1304    HB2  GLU 168           HB2      GLU 168  30.137   3.451  -1.251
 1305    HB3  GLU 168           HB1      GLU 168  28.825   2.412  -1.786
 1306    HG2  GLU 168           HG2      GLU 168  27.917   4.215  -3.131
 1307    HG3  GLU 168           HG1      GLU 168  29.186   5.297  -2.559
 1308    H    GLY 169           HN       GLY 169  26.586   2.380   0.778
 1309    HA2  GLY 169           HA2      GLY 169  27.233   0.444   2.120
 1310    HA3  GLY 169           HA1      GLY 169  28.593   1.392   2.701
 1311    H    ASP 170           HN       ASP 170  26.604   3.751   2.807
 1312    HA   ASP 170           HA       ASP 170  25.953   3.539   5.547
 1313    HB2  ASP 170           HB2      ASP 170  26.272   5.693   4.304
 1314    HB3  ASP 170           HB1      ASP 170  24.719   5.422   3.522
 1315    H    VAL 171           HN       VAL 171  23.980   3.164   6.577
 1316    HA   VAL 171           HA       VAL 171  22.121   1.567   4.992
 1317    HB   VAL 171           HB       VAL 171  22.225   1.939   7.992
 1318   HG11  VAL 171          HG11      VAL 171  20.010   1.309   7.175
 1319   HG12  VAL 171          HG12      VAL 171  20.759  -0.021   8.056
 1320   HG13  VAL 171          HG13      VAL 171  20.712  -0.048   6.295
 1321   HG21  VAL 171          HG21      VAL 171  23.227  -0.341   6.287
 1322   HG22  VAL 171          HG22      VAL 171  23.241  -0.276   8.049
 1323   HG23  VAL 171          HG23      VAL 171  24.235   0.843   7.118
 1324    H    LEU 172           HN       LEU 172  20.577   2.658   4.044
 1325    HA   LEU 172           HA       LEU 172  19.543   5.106   5.238
 1326    HB2  LEU 172           HB2      LEU 172  18.898   3.833   2.577
 1327    HB3  LEU 172           HB1      LEU 172  18.428   5.438   3.097
 1328    HG   LEU 172           HG       LEU 172  21.261   4.524   2.591
 1329   HD11  LEU 172          HD11      LEU 172  21.134   6.039   0.661
 1330   HD12  LEU 172          HD12      LEU 172  19.424   6.301   0.997
 1331   HD13  LEU 172          HD13      LEU 172  19.996   4.698   0.536
 1332   HD21  LEU 172          HD21      LEU 172  20.144   7.232   3.304
 1333   HD22  LEU 172          HD22      LEU 172  21.808   6.913   2.815
 1334   HD23  LEU 172          HD23      LEU 172  21.182   6.226   4.313
 1335    H    ILE 173           HN       ILE 173  17.841   4.978   6.546
 1336    HA   ILE 173           HA       ILE 173  15.974   2.755   6.269
 1337    HB   ILE 173           HB       ILE 173  16.274   4.888   8.379
 1338   HG12  ILE 173          HG12      ILE 173  16.421   2.882   9.870
 1339   HG13  ILE 173          HG11      ILE 173  16.341   1.860   8.443
 1340   HG21  ILE 173          HG21      ILE 173  13.887   4.670   7.954
 1341   HG22  ILE 173          HG22      ILE 173  14.306   3.959   9.512
 1342   HG23  ILE 173          HG23      ILE 173  14.001   2.918   8.121
 1343   HD11  ILE 173          HD11      ILE 173  18.614   2.079   9.220
 1344   HD12  ILE 173          HD12      ILE 173  18.511   3.835   9.096
 1345   HD13  ILE 173          HD13      ILE 173  18.432   2.842   7.640
 1346    H    ILE 174           HN       ILE 174  14.642   3.040   4.614
 1347    HA   ILE 174           HA       ILE 174  13.767   5.725   3.945
 1348    HB   ILE 174           HB       ILE 174  13.086   3.168   2.488
 1349   HG12  ILE 174          HG12      ILE 174  15.515   3.404   2.553
 1350   HG13  ILE 174          HG11      ILE 174  14.920   3.756   0.933
 1351   HG21  ILE 174          HG21      ILE 174  12.639   4.659   0.603
 1352   HG22  ILE 174          HG22      ILE 174  13.050   6.054   1.600
 1353   HG23  ILE 174          HG23      ILE 174  11.636   5.075   1.994
 1354   HD11  ILE 174          HD11      ILE 174  16.655   5.312   1.562
 1355   HD12  ILE 174          HD12      ILE 174  15.750   5.776   3.003
 1356   HD13  ILE 174          HD13      ILE 174  15.113   6.153   1.402
 1357    H    ASN 175           HN       ASN 175  11.951   6.528   4.619
 1358    HA   ASN 175           HA       ASN 175   9.891   4.849   5.788
 1359    HB2  ASN 175           HB2      ASN 175  10.500   7.018   6.839
 1360    HB3  ASN 175           HB1      ASN 175  10.005   7.850   5.370
 1361   HD21  ASN 175          HD21      ASN 175   8.438   9.062   6.351
 1362   HD22  ASN 175          HD22      ASN 175   6.966   8.382   6.961
 1363    H    THR 176           HN       THR 176   9.087   3.695   4.031
 1364    HA   THR 176           HA       THR 176   8.537   4.903   1.512
 1365    HB   THR 176           HB       THR 176   8.961   2.494   1.661
 1366    HG1  THR 176           HG1      THR 176   6.537   2.084   0.691
 1367   HG21  THR 176          HG21      THR 176   7.908   1.977   3.773
 1368   HG22  THR 176          HG22      THR 176   7.196   0.980   2.504
 1369   HG23  THR 176          HG23      THR 176   6.321   2.382   3.121
 1370    H    GLY 177           HN       GLY 177   6.475   5.251   0.522
 1371    HA2  GLY 177           HA2      GLY 177   4.172   5.768   0.586
 1372    HA3  GLY 177           HA1      GLY 177   4.219   5.635   2.340
 1373    H    ASP 178           HN       ASP 178   6.260   7.302   3.013
 1374    HA   ASP 178           HA       ASP 178   5.200   9.916   2.224
 1375    HB2  ASP 178           HB2      ASP 178   6.998   9.147   4.529
 1376    HB3  ASP 178           HB1      ASP 178   6.483  10.788   4.166
 1377    H    GLY 179           HN       GLY 179   8.041   7.941   2.097
 1378    HA2  GLY 179           HA2      GLY 179   9.759   8.089   0.548
 1379    HA3  GLY 179           HA1      GLY 179   9.141   9.659   0.049
 1380    H    SER 180           HN       SER 180   9.692   9.023   3.393
 1381    HA   SER 180           HA       SER 180  11.629  11.154   3.509
 1382    HB2  SER 180           HB2      SER 180  10.916   9.419   5.850
 1383    HB3  SER 180           HB1      SER 180  11.303  11.135   5.818
 1384    HG   SER 180           HG       SER 180   9.277  11.392   4.628
 1385    H    TYR 181           HN       TYR 181  13.569  10.515   2.645
 1386    HA   TYR 181           HA       TYR 181  14.682   7.943   3.216
 1387    HB2  TYR 181           HB2      TYR 181  16.722   8.892   2.028
 1388    HB3  TYR 181           HB1      TYR 181  15.240   8.818   1.085
 1389    HD1  TYR 181           HD1      TYR 181  14.051  10.873   0.480
 1390    HD2  TYR 181           HD2      TYR 181  17.722  11.016   2.625
 1391    HE1  TYR 181           HE1      TYR 181  14.276  13.258  -0.071
 1392    HE2  TYR 181           HE2      TYR 181  17.947  13.404   2.084
 1393    HH   TYR 181           HH       TYR 181  17.189  15.015   0.515
 1394    H    ILE 182           HN       ILE 182  15.341   7.507   5.222
 1395    HA   ILE 182           HA       ILE 182  16.784   9.570   6.727
 1396    HB   ILE 182           HB       ILE 182  15.982   6.806   7.664
 1397   HG12  ILE 182          HG12      ILE 182  13.979   8.089   7.076
 1398   HG13  ILE 182          HG11      ILE 182  14.103   7.898   8.821
 1399   HG21  ILE 182          HG21      ILE 182  16.294   7.761   9.912
 1400   HG22  ILE 182          HG22      ILE 182  16.870   9.257   9.177
 1401   HG23  ILE 182          HG23      ILE 182  17.781   7.763   8.963
 1402   HD11  ILE 182          HD11      ILE 182  14.812  10.365   7.254
 1403   HD12  ILE 182          HD12      ILE 182  14.959  10.181   9.002
 1404   HD13  ILE 182          HD13      ILE 182  13.369  10.127   8.239
 1405    H    SER 183           HN       SER 183  18.928   9.328   7.333
 1406    HA   SER 183           HA       SER 183  20.368   7.128   6.002
 1407    HB2  SER 183           HB2      SER 183  20.699   9.268   4.835
 1408    HB3  SER 183           HB1      SER 183  21.233  10.015   6.337
 1409    HG   SER 183           HG       SER 183  22.564   7.725   5.352
 1410    H    ARG 184           HN       ARG 184  22.552   6.720   6.956
 1411    HA   ARG 184           HA       ARG 184  24.067   6.448   8.611
 1412    HB2  ARG 184           HB2      ARG 184  22.508   8.621  10.006
 1413    HB3  ARG 184           HB1      ARG 184  24.007   7.936  10.612
 1414    HG2  ARG 184           HG2      ARG 184  23.662   9.415   8.011
 1415    HG3  ARG 184           HG1      ARG 184  24.399  10.050   9.483
 1416    HD2  ARG 184           HD2      ARG 184  26.088   8.232   9.345
 1417    HD3  ARG 184           HD1      ARG 184  25.397   7.766   7.793
 1418    HE   ARG 184           HE       ARG 184  26.429  10.488   8.180
 1419   HH11  ARG 184          HH11      ARG 184  26.481   7.413   6.509
 1420   HH12  ARG 184          HH12      ARG 184  27.702   7.911   5.368
 1421   HH21  ARG 184          HH21      ARG 184  28.008  11.156   6.672
 1422   HH22  ARG 184          HH22      ARG 184  28.559  10.048   5.458
 1423    H    GLY 185           HN       GLY 185  21.267   5.157   8.587
 1424    HA2  GLY 185           HA2      GLY 185  20.470   3.322   9.756
 1425    HA3  GLY 185           HA1      GLY 185  21.741   3.568  10.943
  Start of MODEL    8
    1    H1   MET   1           HT1      MET   1 -27.916  -5.407   3.439
    2    H2   MET   1           HT2      MET   1 -27.333  -6.889   2.890
    3    H3   MET   1           HT3      MET   1 -26.447  -5.481   2.594
    4    HA   MET   1           HA       MET   1 -26.933  -6.828   5.183
    5    HB2  MET   1           HB2      MET   1 -25.114  -7.737   3.785
    6    HB3  MET   1           HB1      MET   1 -24.376  -6.142   3.719
    7    HG2  MET   1           HG2      MET   1 -23.275  -7.588   5.342
    8    HG3  MET   1           HG1      MET   1 -24.008  -6.183   6.111
    9    HE1  MET   1           HE1      MET   1 -23.026  -8.819   7.649
   10    HE2  MET   1           HE2      MET   1 -24.346  -9.042   8.797
   11    HE3  MET   1           HE3      MET   1 -23.724  -7.425   8.472
   12    H    ILE   2           HN       ILE   2 -24.995  -4.114   3.848
   13    HA   ILE   2           HA       ILE   2 -25.341  -2.729   6.405
   14    HB   ILE   2           HB       ILE   2 -23.589  -2.026   4.043
   15   HG12  ILE   2          HG12      ILE   2 -22.855  -4.076   5.153
   16   HG13  ILE   2          HG11      ILE   2 -21.724  -2.764   5.466
   17   HG21  ILE   2          HG21      ILE   2 -24.216  -0.045   5.314
   18   HG22  ILE   2          HG22      ILE   2 -22.508  -0.424   5.541
   19   HG23  ILE   2          HG23      ILE   2 -23.675  -0.819   6.803
   20   HD11  ILE   2          HD11      ILE   2 -22.073  -4.065   7.464
   21   HD12  ILE   2          HD12      ILE   2 -23.814  -3.816   7.360
   22   HD13  ILE   2          HD13      ILE   2 -22.746  -2.449   7.682
   23    H    SER   3           HN       SER   3 -26.320  -0.724   6.560
   24    HA   SER   3           HA       SER   3 -27.999   0.004   4.264
   25    HB2  SER   3           HB2      SER   3 -28.318   0.646   7.210
   26    HB3  SER   3           HB1      SER   3 -29.424   1.147   5.934
   27    HG   SER   3           HG       SER   3 -29.118  -1.310   7.150
   28    H    VAL   4           HN       VAL   4 -28.369   2.304   3.901
   29    HA   VAL   4           HA       VAL   4 -25.904   3.654   3.593
   30    HB   VAL   4           HB       VAL   4 -27.184   5.491   2.650
   31   HG11  VAL   4          HG11      VAL   4 -28.323   4.296   0.857
   32   HG12  VAL   4          HG12      VAL   4 -28.307   2.821   1.821
   33   HG13  VAL   4          HG13      VAL   4 -26.791   3.523   1.261
   34   HG21  VAL   4          HG21      VAL   4 -29.616   5.499   2.631
   35   HG22  VAL   4          HG22      VAL   4 -29.013   5.516   4.289
   36   HG23  VAL   4          HG23      VAL   4 -29.644   4.023   3.595
   37    H    ASN   5           HN       ASN   5 -27.788   3.395   6.303
   38    HA   ASN   5           HA       ASN   5 -27.427   6.032   7.357
   39    HB2  ASN   5           HB2      ASN   5 -28.323   3.418   8.545
   40    HB3  ASN   5           HB1      ASN   5 -28.013   4.815   9.567
   41   HD21  ASN   5          HD21      ASN   5 -30.161   4.911  10.206
   42   HD22  ASN   5          HD22      ASN   5 -31.410   5.485   9.156
   43    H    ASP   6           HN       ASP   6 -25.475   3.184   7.150
   44    HA   ASP   6           HA       ASP   6 -23.702   4.276   9.233
   45    HB2  ASP   6           HB2      ASP   6 -24.646   2.025   9.740
   46    HB3  ASP   6           HB1      ASP   6 -23.820   1.399   8.315
   47    H    PHE   7           HN       PHE   7 -22.233   5.433   8.248
   48    HA   PHE   7           HA       PHE   7 -20.357   3.987   6.553
   49    HB2  PHE   7           HB2      PHE   7 -21.523   6.710   5.943
   50    HB3  PHE   7           HB1      PHE   7 -19.991   6.179   5.261
   51    HD1  PHE   7           HD1      PHE   7 -23.505   6.238   4.854
   52    HD2  PHE   7           HD2      PHE   7 -20.032   3.951   3.947
   53    HE1  PHE   7           HE1      PHE   7 -24.712   5.131   3.028
   54    HE2  PHE   7           HE2      PHE   7 -21.238   2.840   2.116
   55    HZ   PHE   7           HZ       PHE   7 -23.583   3.430   1.656
   56    H    LYS   8           HN       LYS   8 -18.177   4.694   6.884
   57    HA   LYS   8           HA       LYS   8 -17.869   6.469   9.200
   58    HB2  LYS   8           HB2      LYS   8 -16.719   3.702   8.863
   59    HB3  LYS   8           HB1      LYS   8 -16.111   4.851  10.043
   60    HG2  LYS   8           HG2      LYS   8 -18.280   4.917  11.136
   61    HG3  LYS   8           HG1      LYS   8 -18.933   3.810   9.928
   62    HD2  LYS   8           HD2      LYS   8 -16.554   3.073  11.598
   63    HD3  LYS   8           HD1      LYS   8 -18.197   2.847  12.195
   64    HE2  LYS   8           HE2      LYS   8 -17.281   1.748   9.552
   65    HE3  LYS   8           HE1      LYS   8 -17.084   0.857  11.058
   66    HZ1  LYS   8           HZ1      LYS   8 -19.104   0.198   9.942
   67    HZ2  LYS   8           HZ2      LYS   8 -19.670   1.792   9.915
   68    HZ3  LYS   8           HZ3      LYS   8 -19.485   0.984  11.388
   69    H    THR   9           HN       THR   9 -15.401   6.859   9.589
   70    HA   THR   9           HA       THR   9 -14.355   8.189   7.344
   71    HB   THR   9           HB       THR   9 -12.788   7.274   9.765
   72    HG1  THR   9           HG1      THR   9 -14.722   9.291   9.410
   73   HG21  THR   9          HG21      THR   9 -11.454   9.283   9.345
   74   HG22  THR   9          HG22      THR   9 -12.456   9.666   7.946
   75   HG23  THR   9          HG23      THR   9 -11.445   8.224   7.935
   76    H    GLY  10           HN       GLY  10 -14.038   4.940   8.480
   77    HA2  GLY  10           HA2      GLY  10 -12.914   4.316   5.864
   78    HA3  GLY  10           HA1      GLY  10 -12.113   3.647   7.283
   79    H    LEU  11           HN       LEU  11 -14.460   3.148   4.999
   80    HA   LEU  11           HA       LEU  11 -15.230   0.682   6.322
   81    HB2  LEU  11           HB2      LEU  11 -16.982   2.236   7.006
   82    HB3  LEU  11           HB1      LEU  11 -17.248   2.707   5.341
   83    HG   LEU  11           HG       LEU  11 -18.031   0.417   4.835
   84   HD11  LEU  11          HD11      LEU  11 -18.530  -1.114   6.674
   85   HD12  LEU  11          HD12      LEU  11 -17.751  -0.007   7.806
   86   HD13  LEU  11          HD13      LEU  11 -16.800  -0.796   6.547
   87   HD21  LEU  11          HD21      LEU  11 -20.163   0.589   6.040
   88   HD22  LEU  11          HD22      LEU  11 -19.641   2.142   5.388
   89   HD23  LEU  11          HD23      LEU  11 -19.450   1.798   7.109
   90    H    THR  12           HN       THR  12 -15.071  -0.924   4.888
   91    HA   THR  12           HA       THR  12 -14.563  -0.208   2.136
   92    HB   THR  12           HB       THR  12 -14.083  -2.767   2.030
   93    HG1  THR  12           HG1      THR  12 -14.388  -3.742   3.882
   94   HG21  THR  12          HG21      THR  12 -12.388  -0.783   3.533
   95   HG22  THR  12          HG22      THR  12 -12.354  -1.122   1.802
   96   HG23  THR  12          HG23      THR  12 -11.808  -2.341   2.951
   97    H    ILE  13           HN       ILE  13 -15.926  -0.369   0.561
   98    HA   ILE  13           HA       ILE  13 -18.379  -1.965   0.913
   99    HB   ILE  13           HB       ILE  13 -18.187   0.512  -0.794
  100   HG12  ILE  13          HG12      ILE  13 -17.747   1.256   1.466
  101   HG13  ILE  13          HG11      ILE  13 -19.380   1.726   1.010
  102   HG21  ILE  13          HG21      ILE  13 -19.979  -0.997  -1.362
  103   HG22  ILE  13          HG22      ILE  13 -20.632   0.473  -0.638
  104   HG23  ILE  13          HG23      ILE  13 -20.533  -1.009   0.312
  105   HD11  ILE  13          HD11      ILE  13 -19.385   0.957   3.264
  106   HD12  ILE  13          HD12      ILE  13 -18.574  -0.542   2.806
  107   HD13  ILE  13          HD13      ILE  13 -20.228  -0.233   2.269
  108    H    SER  14           HN       SER  14 -18.971  -3.272  -0.811
  109    HA   SER  14           HA       SER  14 -17.151  -3.239  -3.118
  110    HB2  SER  14           HB2      SER  14 -17.974  -5.591  -3.503
  111    HB3  SER  14           HB1      SER  14 -17.107  -5.376  -1.985
  112    HG   SER  14           HG       SER  14 -19.794  -4.926  -1.750
  113    H    VAL  15           HN       VAL  15 -17.999  -1.999  -4.655
  114    HA   VAL  15           HA       VAL  15 -20.709  -2.541  -5.558
  115    HB   VAL  15           HB       VAL  15 -20.906  -0.682  -3.915
  116   HG11  VAL  15          HG11      VAL  15 -18.749   0.372  -4.213
  117   HG12  VAL  15          HG12      VAL  15 -20.043   1.538  -4.493
  118   HG13  VAL  15          HG13      VAL  15 -19.179   0.834  -5.859
  119   HG21  VAL  15          HG21      VAL  15 -22.524  -0.880  -5.711
  120   HG22  VAL  15          HG22      VAL  15 -21.489   0.077  -6.770
  121   HG23  VAL  15          HG23      VAL  15 -22.214   0.817  -5.343
  122    H    ASP  16           HN       ASP  16 -21.063  -1.936  -7.729
  123    HA   ASP  16           HA       ASP  16 -20.496  -1.787  -9.917
  124    HB2  ASP  16           HB2      ASP  16 -18.306  -0.033  -8.798
  125    HB3  ASP  16           HB1      ASP  16 -18.502  -0.323 -10.522
  126    H    ASN  17           HN       ASN  17 -19.459  -3.867  -8.115
  127    HA   ASN  17           HA       ASN  17 -18.107  -5.676  -8.111
  128    HB2  ASN  17           HB2      ASN  17 -17.954  -4.872 -10.983
  129    HB3  ASN  17           HB1      ASN  17 -16.925  -6.169 -10.386
  130   HD21  ASN  17          HD21      ASN  17 -20.132  -5.548  -9.124
  131   HD22  ASN  17          HD22      ASN  17 -20.862  -6.978  -9.767
  132    H    ALA  18           HN       ALA  18 -17.071  -3.026  -7.393
  133    HA   ALA  18           HA       ALA  18 -14.232  -3.760  -7.475
  134    HB1  ALA  18           HB1      ALA  18 -13.624  -1.380  -7.579
  135    HB2  ALA  18           HB2      ALA  18 -15.333  -0.964  -7.745
  136    HB3  ALA  18           HB3      ALA  18 -14.527  -1.892  -9.008
  137    H    ILE  19           HN       ILE  19 -13.023  -2.699  -5.678
  138    HA   ILE  19           HA       ILE  19 -14.707  -2.714  -3.271
  139    HB   ILE  19           HB       ILE  19 -12.595  -3.298  -2.052
  140   HG12  ILE  19          HG12      ILE  19 -11.559  -3.742  -4.866
  141   HG13  ILE  19          HG11      ILE  19 -10.998  -2.500  -3.754
  142   HG21  ILE  19          HG21      ILE  19 -14.263  -4.980  -2.591
  143   HG22  ILE  19          HG22      ILE  19 -12.643  -5.662  -2.735
  144   HG23  ILE  19          HG23      ILE  19 -13.544  -5.212  -4.183
  145   HD11  ILE  19          HD11      ILE  19 -10.727  -5.472  -3.399
  146   HD12  ILE  19          HD12      ILE  19 -10.206  -4.255  -2.234
  147   HD13  ILE  19          HD13      ILE  19  -9.443  -4.340  -3.822
  148    H    TRP  20           HN       TRP  20 -14.805  -0.954  -2.049
  149    HA   TRP  20           HA       TRP  20 -12.884   1.210  -2.572
  150    HB2  TRP  20           HB2      TRP  20 -15.809   1.704  -2.073
  151    HB3  TRP  20           HB1      TRP  20 -14.602   2.834  -2.656
  152    HD1  TRP  20           HD1      TRP  20 -16.579  -0.253  -3.883
  153    HE1  TRP  20           HE1      TRP  20 -16.793  -0.104  -6.440
  154    HE3  TRP  20           HE3      TRP  20 -13.693   3.890  -4.687
  155    HZ2  TRP  20           HZ2      TRP  20 -15.860   1.555  -8.523
  156    HZ3  TRP  20           HZ3      TRP  20 -13.411   4.693  -6.995
  157    HH2  TRP  20           HH2      TRP  20 -14.472   3.550  -8.870
  158    H    LYS  21           HN       LYS  21 -12.943   2.903  -0.873
  159    HA   LYS  21           HA       LYS  21 -13.755   1.877   1.756
  160    HB2  LYS  21           HB2      LYS  21 -11.314   1.541   1.425
  161    HB3  LYS  21           HB1      LYS  21 -11.145   3.269   1.153
  162    HG2  LYS  21           HG2      LYS  21 -12.116   3.603   3.458
  163    HG3  LYS  21           HG1      LYS  21 -11.931   1.863   3.690
  164    HD2  LYS  21           HD2      LYS  21  -9.729   3.825   3.061
  165    HD3  LYS  21           HD1      LYS  21 -10.033   3.070   4.625
  166    HE2  LYS  21           HE2      LYS  21  -9.594   0.870   3.643
  167    HE3  LYS  21           HE1      LYS  21  -9.284   1.628   2.083
  168    HZ1  LYS  21           HZ1      LYS  21  -7.417   2.800   3.055
  169    HZ2  LYS  21           HZ2      LYS  21  -7.235   1.132   3.279
  170    HZ3  LYS  21           HZ3      LYS  21  -7.729   2.109   4.565
  171    H    VAL  22           HN       VAL  22 -15.337   3.222   2.312
  172    HA   VAL  22           HA       VAL  22 -15.557   5.907   1.479
  173    HB   VAL  22           HB       VAL  22 -16.835   4.561   3.860
  174   HG11  VAL  22          HG11      VAL  22 -17.462   7.177   2.498
  175   HG12  VAL  22          HG12      VAL  22 -16.895   6.953   4.153
  176   HG13  VAL  22          HG13      VAL  22 -18.504   6.395   3.688
  177   HG21  VAL  22          HG21      VAL  22 -18.797   4.361   2.391
  178   HG22  VAL  22          HG22      VAL  22 -17.410   3.479   1.756
  179   HG23  VAL  22          HG23      VAL  22 -17.858   5.037   1.061
  180    H    ILE  23           HN       ILE  23 -14.267   7.466   1.981
  181    HA   ILE  23           HA       ILE  23 -12.874   7.518   4.545
  182    HB   ILE  23           HB       ILE  23 -12.603   9.300   2.123
  183   HG12  ILE  23          HG12      ILE  23 -10.789   7.105   3.120
  184   HG13  ILE  23          HG11      ILE  23 -11.913   6.939   1.774
  185   HG21  ILE  23          HG21      ILE  23 -10.910   9.127   4.611
  186   HG22  ILE  23          HG22      ILE  23 -11.964  10.466   4.158
  187   HG23  ILE  23          HG23      ILE  23 -10.539  10.097   3.186
  188   HD11  ILE  23          HD11      ILE  23  -9.570   8.827   1.904
  189   HD12  ILE  23          HD12      ILE  23 -10.692   8.664   0.553
  190   HD13  ILE  23          HD13      ILE  23  -9.644   7.316   0.997
  191    H    ASP  24           HN       ASP  24 -15.168   9.301   2.592
  192    HA   ASP  24           HA       ASP  24 -16.137  10.671   4.978
  193    HB2  ASP  24           HB2      ASP  24 -15.126  12.013   2.500
  194    HB3  ASP  24           HB1      ASP  24 -16.506  12.711   3.337
  195    H    PHE  25           HN       PHE  25 -18.371  11.344   4.764
  196    HA   PHE  25           HA       PHE  25 -19.733  10.411   2.373
  197    HB2  PHE  25           HB2      PHE  25 -21.269   8.960   3.551
  198    HB3  PHE  25           HB1      PHE  25 -19.623   8.438   3.871
  199    HD1  PHE  25           HD1      PHE  25 -18.556   9.292   6.076
  200    HD2  PHE  25           HD2      PHE  25 -22.739   9.283   5.295
  201    HE1  PHE  25           HE1      PHE  25 -19.004   9.374   8.494
  202    HE2  PHE  25           HE2      PHE  25 -23.195   9.368   7.707
  203    HZ   PHE  25           HZ       PHE  25 -21.325   9.415   9.310
  204    H    GLN  26           HN       GLN  26 -21.297  11.786   1.813
  205    HA   GLN  26           HA       GLN  26 -22.232  13.698   3.825
  206    HB2  GLN  26           HB2      GLN  26 -21.315  14.661   1.773
  207    HB3  GLN  26           HB1      GLN  26 -22.448  13.727   0.807
  208    HG2  GLN  26           HG2      GLN  26 -23.200  15.999   0.963
  209    HG3  GLN  26           HG1      GLN  26 -24.310  14.954   1.846
  210   HE21  GLN  26          HE21      GLN  26 -24.427  15.112   4.081
  211   HE22  GLN  26          HE22      GLN  26 -23.744  16.440   4.949
  212    H    HIS  27           HN       HIS  27 -23.826  12.634   4.908
  213    HA   HIS  27           HA       HIS  27 -25.921  11.222   3.533
  214    HB2  HIS  27           HB2      HIS  27 -25.300  10.536   5.790
  215    HB3  HIS  27           HB1      HIS  27 -25.660  12.140   6.410
  216    HD1  HIS  27           HD1      HIS  27 -27.869  12.330   7.487
  217    HD2  HIS  27           HD2      HIS  27 -27.802   9.288   4.656
  218    HE1  HIS  27           HE1      HIS  27 -30.141  11.262   7.588
  219    HE2  HIS  27           HE2      HIS  27 -29.997   9.294   6.026
  220    H    VAL  28           HN       VAL  28 -26.977  12.549   2.150
  221    HA   VAL  28           HA       VAL  28 -27.864  15.158   3.171
  222    HB   VAL  28           HB       VAL  28 -26.506  15.514   1.279
  223   HG11  VAL  28          HG11      VAL  28 -26.412  13.266   0.385
  224   HG12  VAL  28          HG12      VAL  28 -26.855  14.402  -0.890
  225   HG13  VAL  28          HG13      VAL  28 -28.090  13.384  -0.149
  226   HG21  VAL  28          HG21      VAL  28 -29.377  15.594   0.360
  227   HG22  VAL  28          HG22      VAL  28 -28.038  16.460  -0.393
  228   HG23  VAL  28          HG23      VAL  28 -28.527  16.855   1.255
  229    H    LYS  29           HN       LYS  29 -29.920  15.550   3.480
  230    HA   LYS  29           HA       LYS  29 -31.900  13.646   2.421
  231    HB2  LYS  29           HB2      LYS  29 -31.663  13.409   4.827
  232    HB3  LYS  29           HB1      LYS  29 -31.886  15.138   5.049
  233    HG2  LYS  29           HG2      LYS  29 -34.175  14.981   4.298
  234    HG3  LYS  29           HG1      LYS  29 -33.966  13.267   3.937
  235    HD2  LYS  29           HD2      LYS  29 -35.129  13.610   6.065
  236    HD3  LYS  29           HD1      LYS  29 -33.581  12.800   6.295
  237    HE2  LYS  29           HE2      LYS  29 -33.935  14.503   7.996
  238    HE3  LYS  29           HE1      LYS  29 -32.567  14.918   6.967
  239    HZ1  LYS  29           HZ1      LYS  29 -35.306  16.039   6.713
  240    HZ2  LYS  29           HZ2      LYS  29 -33.969  16.465   5.771
  241    HZ3  LYS  29           HZ3      LYS  29 -33.988  16.825   7.420
  242    HA   PRO  30           HA       PRO  30 -33.111  17.430   0.241
  243    HB2  PRO  30           HB2      PRO  30 -35.113  15.497  -0.792
  244    HB3  PRO  30           HB1      PRO  30 -34.055  16.604  -1.673
  245    HG2  PRO  30           HG2      PRO  30 -33.545  13.990  -1.620
  246    HG3  PRO  30           HG1      PRO  30 -32.231  15.181  -1.540
  247    HD2  PRO  30           HD2      PRO  30 -33.444  13.542   0.650
  248    HD3  PRO  30           HD1      PRO  30 -31.745  13.984   0.378
  249    H    GLY  31           HN       GLY  31 -35.431  15.084   1.584
  250    HA2  GLY  31           HA2      GLY  31 -36.952  15.808   3.347
  251    HA3  GLY  31           HA1      GLY  31 -37.043  17.367   2.540
  252    H    LYS  32           HN       LYS  32 -36.949  14.987   0.272
  253    HA   LYS  32           HA       LYS  32 -39.703  15.402  -0.454
  254    HB2  LYS  32           HB2      LYS  32 -37.954  15.429  -2.155
  255    HB3  LYS  32           HB1      LYS  32 -37.484  13.791  -1.731
  256    HG2  LYS  32           HG2      LYS  32 -39.586  12.936  -2.550
  257    HG3  LYS  32           HG1      LYS  32 -40.154  14.572  -2.876
  258    HD2  LYS  32           HD2      LYS  32 -39.381  13.465  -4.916
  259    HD3  LYS  32           HD1      LYS  32 -38.388  14.870  -4.528
  260    HE2  LYS  32           HE2      LYS  32 -36.678  13.423  -3.584
  261    HE3  LYS  32           HE1      LYS  32 -37.681  12.008  -3.898
  262    HZ1  LYS  32           HZ1      LYS  32 -36.608  13.834  -5.980
  263    HZ2  LYS  32           HZ2      LYS  32 -37.514  12.429  -6.254
  264    HZ3  LYS  32           HZ3      LYS  32 -35.965  12.320  -5.588
  265    H    GLY  33           HN       GLY  33 -38.003  13.156   1.413
  266    HA2  GLY  33           HA2      GLY  33 -39.504  11.584   2.640
  267    HA3  GLY  33           HA1      GLY  33 -40.138  11.139   1.059
  268    H    SER  34           HN       SER  34 -37.222  11.548   0.148
  269    HA   SER  34           HA       SER  34 -36.064   9.094   1.236
  270    HB2  SER  34           HB2      SER  34 -35.270   8.614  -1.152
  271    HB3  SER  34           HB1      SER  34 -36.975   8.323  -0.810
  272    HG   SER  34           HG       SER  34 -37.477   9.781  -2.222
  273    H    ALA  35           HN       ALA  35 -33.823   9.062   1.304
  274    HA   ALA  35           HA       ALA  35 -32.478  11.583   0.596
  275    HB1  ALA  35           HB1      ALA  35 -32.003   9.928   3.067
  276    HB2  ALA  35           HB2      ALA  35 -32.852  11.472   3.009
  277    HB3  ALA  35           HB3      ALA  35 -31.136  11.393   2.612
  278    H    PHE  36           HN       PHE  36 -30.061  11.300   0.543
  279    HA   PHE  36           HA       PHE  36 -29.222   8.615  -0.151
  280    HB2  PHE  36           HB2      PHE  36 -28.123   9.435  -2.259
  281    HB3  PHE  36           HB1      PHE  36 -29.877   9.356  -2.316
  282    HD1  PHE  36           HD1      PHE  36 -26.986  11.410  -2.763
  283    HD2  PHE  36           HD2      PHE  36 -31.175  11.512  -2.014
  284    HE1  PHE  36           HE1      PHE  36 -27.068  13.738  -3.554
  285    HE2  PHE  36           HE2      PHE  36 -31.261  13.842  -2.800
  286    HZ   PHE  36           HZ       PHE  36 -29.206  14.958  -3.573
  287    H    VAL  37           HN       VAL  37 -26.845   8.508  -0.495
  288    HA   VAL  37           HA       VAL  37 -25.502  10.469   1.243
  289    HB   VAL  37           HB       VAL  37 -24.885   7.510   1.058
  290   HG11  VAL  37          HG11      VAL  37 -22.925   8.841   1.563
  291   HG12  VAL  37          HG12      VAL  37 -23.428   7.926   2.986
  292   HG13  VAL  37          HG13      VAL  37 -23.787   9.651   2.872
  293   HG21  VAL  37          HG21      VAL  37 -26.252   9.044   3.265
  294   HG22  VAL  37          HG22      VAL  37 -25.790   7.343   3.325
  295   HG23  VAL  37          HG23      VAL  37 -27.019   7.885   2.181
  296    H    ARG  38           HN       ARG  38 -24.395  11.676  -0.161
  297    HA   ARG  38           HA       ARG  38 -22.994  10.501  -2.405
  298    HB2  ARG  38           HB2      ARG  38 -24.007  12.775  -2.532
  299    HB3  ARG  38           HB1      ARG  38 -22.869  13.321  -1.308
  300    HG2  ARG  38           HG2      ARG  38 -21.017  12.984  -2.779
  301    HG3  ARG  38           HG1      ARG  38 -22.049  12.196  -3.976
  302    HD2  ARG  38           HD2      ARG  38 -22.363  15.053  -3.068
  303    HD3  ARG  38           HD1      ARG  38 -21.490  14.562  -4.517
  304    HE   ARG  38           HE       ARG  38 -23.670  13.586  -5.271
  305   HH11  ARG  38          HH11      ARG  38 -23.606  16.229  -2.973
  306   HH12  ARG  38          HH12      ARG  38 -25.159  16.840  -3.441
  307   HH21  ARG  38          HH21      ARG  38 -25.710  14.390  -5.890
  308   HH22  ARG  38          HH22      ARG  38 -26.352  15.801  -5.111
  309    H    SER  39           HN       SER  39 -21.339   9.221  -1.808
  310    HA   SER  39           HA       SER  39 -19.764  10.041   0.516
  311    HB2  SER  39           HB2      SER  39 -19.075   7.642   0.618
  312    HB3  SER  39           HB1      SER  39 -20.812   7.887   0.792
  313    HG   SER  39           HG       SER  39 -20.887   7.458  -1.555
  314    H    LYS  40           HN       LYS  40 -17.575  10.060   0.527
  315    HA   LYS  40           HA       LYS  40 -16.225  10.030  -2.086
  316    HB2  LYS  40           HB2      LYS  40 -16.016  12.098  -0.700
  317    HB3  LYS  40           HB1      LYS  40 -15.314  11.136   0.590
  318    HG2  LYS  40           HG2      LYS  40 -13.453  10.534  -0.925
  319    HG3  LYS  40           HG1      LYS  40 -14.131  11.629  -2.130
  320    HD2  LYS  40           HD2      LYS  40 -13.238  12.411   0.644
  321    HD3  LYS  40           HD1      LYS  40 -12.321  12.676  -0.839
  322    HE2  LYS  40           HE2      LYS  40 -15.045  13.826  -0.235
  323    HE3  LYS  40           HE1      LYS  40 -13.519  14.694  -0.109
  324    HZ1  LYS  40           HZ1      LYS  40 -14.620  13.522  -2.605
  325    HZ2  LYS  40           HZ2      LYS  40 -13.176  14.388  -2.471
  326    HZ3  LYS  40           HZ3      LYS  40 -14.652  15.162  -2.196
  327    H    LEU  41           HN       LEU  41 -15.273   8.109  -2.509
  328    HA   LEU  41           HA       LEU  41 -14.089   6.646  -0.277
  329    HB2  LEU  41           HB2      LEU  41 -15.167   4.579  -0.824
  330    HB3  LEU  41           HB1      LEU  41 -16.395   5.809  -0.600
  331    HG   LEU  41           HG       LEU  41 -15.491   4.596  -3.215
  332   HD11  LEU  41          HD11      LEU  41 -17.754   3.753  -3.323
  333   HD12  LEU  41          HD12      LEU  41 -18.158   4.568  -1.812
  334   HD13  LEU  41          HD13      LEU  41 -16.998   3.240  -1.814
  335   HD21  LEU  41          HD21      LEU  41 -17.533   6.771  -2.774
  336   HD22  LEU  41          HD22      LEU  41 -17.189   5.958  -4.300
  337   HD23  LEU  41          HD23      LEU  41 -15.962   6.974  -3.549
  338    H    ARG  42           HN       ARG  42 -12.431   5.271  -0.748
  339    HA   ARG  42           HA       ARG  42 -11.112   5.881  -3.288
  340    HB2  ARG  42           HB2      ARG  42  -9.826   6.490  -1.359
  341    HB3  ARG  42           HB1      ARG  42 -10.080   4.919  -0.621
  342    HG2  ARG  42           HG2      ARG  42  -8.718   3.870  -2.350
  343    HG3  ARG  42           HG1      ARG  42  -8.478   5.439  -3.119
  344    HD2  ARG  42           HD2      ARG  42  -7.259   6.257  -1.240
  345    HD3  ARG  42           HD1      ARG  42  -7.679   4.840  -0.279
  346    HE   ARG  42           HE       ARG  42  -6.351   3.643  -2.182
  347   HH11  ARG  42          HH11      ARG  42  -5.583   6.716  -0.684
  348   HH12  ARG  42          HH12      ARG  42  -3.873   6.538  -0.908
  349   HH21  ARG  42          HH21      ARG  42  -4.103   3.402  -2.460
  350   HH22  ARG  42          HH22      ARG  42  -3.029   4.652  -1.911
  351    H    ASN  43           HN       ASN  43 -10.897   4.384  -4.818
  352    HA   ASN  43           HA       ASN  43 -11.629   1.640  -4.425
  353    HB2  ASN  43           HB2      ASN  43 -11.799   2.855  -6.623
  354    HB3  ASN  43           HB1      ASN  43 -10.042   2.843  -6.715
  355   HD21  ASN  43          HD21      ASN  43 -11.946   1.684  -8.541
  356   HD22  ASN  43          HD22      ASN  43 -11.596  -0.009  -8.609
  357    H    LEU  44           HN       LEU  44 -10.390   0.120  -3.492
  358    HA   LEU  44           HA       LEU  44  -7.783   0.714  -2.557
  359    HB2  LEU  44           HB2      LEU  44  -9.271  -1.896  -2.705
  360    HB3  LEU  44           HB1      LEU  44  -7.684  -1.747  -1.994
  361    HG   LEU  44           HG       LEU  44  -8.750  -0.017  -0.415
  362   HD11  LEU  44          HD11      LEU  44 -10.839   0.301  -1.615
  363   HD12  LEU  44          HD12      LEU  44 -11.134  -0.335   0.004
  364   HD13  LEU  44          HD13      LEU  44 -11.238  -1.404  -1.396
  365   HD21  LEU  44          HD21      LEU  44  -9.526  -2.921  -0.254
  366   HD22  LEU  44          HD22      LEU  44  -9.510  -1.782   1.091
  367   HD23  LEU  44          HD23      LEU  44  -8.002  -2.216   0.286
  368    H    ARG  45           HN       ARG  45  -8.950  -0.647  -5.479
  369    HA   ARG  45           HA       ARG  45  -6.535  -2.079  -6.110
  370    HB2  ARG  45           HB2      ARG  45  -8.937  -1.415  -7.819
  371    HB3  ARG  45           HB1      ARG  45  -7.626  -2.493  -8.286
  372    HG2  ARG  45           HG2      ARG  45  -8.184  -3.919  -6.329
  373    HG3  ARG  45           HG1      ARG  45  -9.585  -2.887  -6.040
  374    HD2  ARG  45           HD2      ARG  45 -10.473  -3.444  -8.232
  375    HD3  ARG  45           HD1      ARG  45  -9.048  -4.424  -8.579
  376    HE   ARG  45           HE       ARG  45 -11.298  -5.136  -6.913
  377   HH11  ARG  45          HH11      ARG  45  -7.968  -5.834  -7.750
  378   HH12  ARG  45          HH12      ARG  45  -8.040  -7.472  -7.172
  379   HH21  ARG  45          HH21      ARG  45 -11.375  -7.287  -6.142
  380   HH22  ARG  45          HH22      ARG  45  -9.954  -8.291  -6.260
  381    H    THR  46           HN       THR  46  -8.032   0.966  -7.138
  382    HA   THR  46           HA       THR  46  -5.770   1.459  -8.906
  383    HB   THR  46           HB       THR  46  -7.121   3.357  -9.745
  384    HG1  THR  46           HG1      THR  46  -9.314   3.480  -9.004
  385   HG21  THR  46          HG21      THR  46  -8.555   0.702  -9.670
  386   HG22  THR  46          HG22      THR  46  -7.300   1.176 -10.817
  387   HG23  THR  46          HG23      THR  46  -8.860   2.000 -10.828
  388    H    GLY  47           HN       GLY  47  -7.025   2.380  -5.861
  389    HA2  GLY  47           HA2      GLY  47  -6.121   3.747  -4.229
  390    HA3  GLY  47           HA1      GLY  47  -4.815   4.134  -5.339
  391    H    ALA  48           HN       ALA  48  -8.004   4.509  -6.520
  392    HA   ALA  48           HA       ALA  48  -7.518   7.367  -6.779
  393    HB1  ALA  48           HB1      ALA  48  -9.391   7.295  -8.373
  394    HB2  ALA  48           HB2      ALA  48  -9.573   5.571  -8.040
  395    HB3  ALA  48           HB3      ALA  48  -8.092   6.177  -8.783
  396    H    ILE  49           HN       ILE  49  -8.813   8.947  -6.031
  397    HA   ILE  49           HA       ILE  49 -10.785   8.261  -3.994
  398    HB   ILE  49           HB       ILE  49  -9.815  10.993  -4.849
  399   HG12  ILE  49          HG12      ILE  49  -7.937   9.729  -3.973
  400   HG13  ILE  49          HG11      ILE  49  -8.430  10.935  -2.791
  401   HG21  ILE  49          HG21      ILE  49 -10.730  11.736  -2.698
  402   HG22  ILE  49          HG22      ILE  49 -11.323  10.103  -2.395
  403   HG23  ILE  49          HG23      ILE  49 -11.974  11.042  -3.738
  404   HD11  ILE  49          HD11      ILE  49  -9.030   7.994  -2.725
  405   HD12  ILE  49          HD12      ILE  49  -9.654   9.174  -1.573
  406   HD13  ILE  49          HD13      ILE  49  -7.919   8.876  -1.679
  407    H    GLN  50           HN       GLN  50 -12.667   7.676  -4.948
  408    HA   GLN  50           HA       GLN  50 -13.767   9.473  -7.010
  409    HB2  GLN  50           HB2      GLN  50 -13.268   7.013  -7.580
  410    HB3  GLN  50           HB1      GLN  50 -14.609   6.618  -6.516
  411    HG2  GLN  50           HG2      GLN  50 -16.083   8.015  -7.935
  412    HG3  GLN  50           HG1      GLN  50 -14.727   8.258  -9.033
  413   HE21  GLN  50          HE21      GLN  50 -13.952   6.496 -10.233
  414   HE22  GLN  50          HE22      GLN  50 -14.921   5.087 -10.494
  415    H    GLU  51           HN       GLU  51 -16.287   9.407  -6.945
  416    HA   GLU  51           HA       GLU  51 -17.182   9.128  -4.172
  417    HB2  GLU  51           HB2      GLU  51 -18.947  10.908  -4.848
  418    HB3  GLU  51           HB1      GLU  51 -17.336  11.411  -4.387
  419    HG2  GLU  51           HG2      GLU  51 -18.041  12.695  -6.270
  420    HG3  GLU  51           HG1      GLU  51 -16.745  11.615  -6.768
  421    H    LYS  52           HN       LYS  52 -19.233   8.338  -3.796
  422    HA   LYS  52           HA       LYS  52 -20.583   7.076  -6.083
  423    HB2  LYS  52           HB2      LYS  52 -19.022   5.492  -4.849
  424    HB3  LYS  52           HB1      LYS  52 -20.073   5.676  -3.461
  425    HG2  LYS  52           HG2      LYS  52 -20.625   3.644  -4.601
  426    HG3  LYS  52           HG1      LYS  52 -21.948   4.792  -4.808
  427    HD2  LYS  52           HD2      LYS  52 -21.397   3.574  -6.889
  428    HD3  LYS  52           HD1      LYS  52 -21.201   5.318  -7.045
  429    HE2  LYS  52           HE2      LYS  52 -18.799   5.103  -6.783
  430    HE3  LYS  52           HE1      LYS  52 -18.958   3.370  -6.503
  431    HZ1  LYS  52           HZ1      LYS  52 -18.274   3.966  -8.789
  432    HZ2  LYS  52           HZ2      LYS  52 -19.763   4.732  -9.015
  433    HZ3  LYS  52           HZ3      LYS  52 -19.706   3.059  -8.733
  434    H    THR  53           HN       THR  53 -22.767   7.255  -5.992
  435    HA   THR  53           HA       THR  53 -23.838   8.606  -3.629
  436    HB   THR  53           HB       THR  53 -25.137   8.316  -6.337
  437    HG1  THR  53           HG1      THR  53 -23.105   9.507  -6.356
  438   HG21  THR  53          HG21      THR  53 -25.669  10.191  -4.028
  439   HG22  THR  53          HG22      THR  53 -26.683   8.830  -4.508
  440   HG23  THR  53          HG23      THR  53 -26.498  10.216  -5.583
  441    H    PHE  54           HN       PHE  54 -24.491   7.139  -2.179
  442    HA   PHE  54           HA       PHE  54 -25.930   4.753  -3.007
  443    HB2  PHE  54           HB2      PHE  54 -25.157   5.796  -0.275
  444    HB3  PHE  54           HB1      PHE  54 -25.994   4.274  -0.554
  445    HD1  PHE  54           HD1      PHE  54 -24.810   2.551  -2.053
  446    HD2  PHE  54           HD2      PHE  54 -22.844   5.878  -0.265
  447    HE1  PHE  54           HE1      PHE  54 -22.647   1.407  -2.314
  448    HE2  PHE  54           HE2      PHE  54 -20.677   4.736  -0.519
  449    HZ   PHE  54           HZ       PHE  54 -20.577   2.501  -1.550
  450    H    ARG  55           HN       ARG  55 -28.105   4.376  -2.610
  451    HA   ARG  55           HA       ARG  55 -29.648   6.779  -1.894
  452    HB2  ARG  55           HB2      ARG  55 -30.406   4.544  -3.780
  453    HB3  ARG  55           HB1      ARG  55 -31.393   5.945  -3.397
  454    HG2  ARG  55           HG2      ARG  55 -29.854   7.420  -4.463
  455    HG3  ARG  55           HG1      ARG  55 -28.676   6.122  -4.668
  456    HD2  ARG  55           HD2      ARG  55 -29.775   6.489  -6.765
  457    HD3  ARG  55           HD1      ARG  55 -30.310   4.944  -6.113
  458    HE   ARG  55           HE       ARG  55 -31.926   7.400  -5.887
  459   HH11  ARG  55          HH11      ARG  55 -31.646   3.959  -6.460
  460   HH12  ARG  55          HH12      ARG  55 -33.297   3.784  -6.974
  461   HH21  ARG  55          HH21      ARG  55 -34.110   7.168  -6.531
  462   HH22  ARG  55          HH22      ARG  55 -34.702   5.605  -7.007
  463    H    ALA  56           HN       ALA  56 -31.146   6.634  -0.333
  464    HA   ALA  56           HA       ALA  56 -31.142   4.489   1.466
  465    HB1  ALA  56           HB1      ALA  56 -33.200   6.660   1.100
  466    HB2  ALA  56           HB2      ALA  56 -31.777   6.721   2.144
  467    HB3  ALA  56           HB3      ALA  56 -33.084   5.591   2.499
  468    H    GLY  57           HN       GLY  57 -32.321   2.690   1.673
  469    HA2  GLY  57           HA2      GLY  57 -34.300   1.373   1.247
  470    HA3  GLY  57           HA1      GLY  57 -34.474   2.220  -0.287
  471    H    GLU  58           HN       GLU  58 -31.624   2.057  -0.897
  472    HA   GLU  58           HA       GLU  58 -31.583  -0.684  -1.880
  473    HB2  GLU  58           HB2      GLU  58 -29.819   1.699  -2.469
  474    HB3  GLU  58           HB1      GLU  58 -29.569   0.102  -3.160
  475    HG2  GLU  58           HG2      GLU  58 -31.820   0.234  -4.173
  476    HG3  GLU  58           HG1      GLU  58 -31.965   1.877  -3.554
  477    H    LYS  59           HN       LYS  59 -29.996  -2.158  -1.389
  478    HA   LYS  59           HA       LYS  59 -28.852  -1.802   1.233
  479    HB2  LYS  59           HB2      LYS  59 -28.201  -4.169   1.028
  480    HB3  LYS  59           HB1      LYS  59 -29.909  -3.920   0.700
  481    HG2  LYS  59           HG2      LYS  59 -29.483  -4.069  -1.693
  482    HG3  LYS  59           HG1      LYS  59 -27.760  -4.283  -1.379
  483    HD2  LYS  59           HD2      LYS  59 -28.230  -6.347  -0.166
  484    HD3  LYS  59           HD1      LYS  59 -29.958  -6.129  -0.447
  485    HE2  LYS  59           HE2      LYS  59 -29.556  -6.257  -2.871
  486    HE3  LYS  59           HE1      LYS  59 -27.843  -6.529  -2.558
  487    HZ1  LYS  59           HZ1      LYS  59 -29.052  -8.592  -2.974
  488    HZ2  LYS  59           HZ2      LYS  59 -30.043  -8.292  -1.637
  489    HZ3  LYS  59           HZ3      LYS  59 -28.392  -8.564  -1.416
  490    H    VAL  60           HN       VAL  60 -26.789  -1.563   1.761
  491    HA   VAL  60           HA       VAL  60 -24.826  -1.220  -0.384
  492    HB   VAL  60           HB       VAL  60 -24.651  -0.459   2.542
  493   HG11  VAL  60          HG11      VAL  60 -22.462  -0.853   1.557
  494   HG12  VAL  60          HG12      VAL  60 -22.706   0.864   1.872
  495   HG13  VAL  60          HG13      VAL  60 -22.848   0.241   0.229
  496   HG21  VAL  60          HG21      VAL  60 -24.966   1.840   1.779
  497   HG22  VAL  60          HG22      VAL  60 -26.357   0.833   1.379
  498   HG23  VAL  60          HG23      VAL  60 -25.191   1.263   0.127
  499    H    GLU  61           HN       GLU  61 -23.664  -2.988  -0.821
  500    HA   GLU  61           HA       GLU  61 -23.334  -5.007   1.251
  501    HB2  GLU  61           HB2      GLU  61 -22.749  -5.096  -1.709
  502    HB3  GLU  61           HB1      GLU  61 -22.515  -6.443  -0.600
  503    HG2  GLU  61           HG2      GLU  61 -25.120  -5.102  -1.291
  504    HG3  GLU  61           HG1      GLU  61 -24.597  -6.718  -1.766
  505    HA   PRO  62           HA       PRO  62 -19.313  -3.359   2.027
  506    HB2  PRO  62           HB2      PRO  62 -18.664  -4.966   4.070
  507    HB3  PRO  62           HB1      PRO  62 -19.898  -3.711   4.233
  508    HG2  PRO  62           HG2      PRO  62 -20.232  -6.653   3.792
  509    HG3  PRO  62           HG1      PRO  62 -21.131  -5.575   4.876
  510    HD2  PRO  62           HD2      PRO  62 -22.046  -6.374   2.422
  511    HD3  PRO  62           HD1      PRO  62 -22.517  -4.851   3.202
  512    H    ALA  63           HN       ALA  63 -17.137  -3.945   1.915
  513    HA   ALA  63           HA       ALA  63 -16.622  -6.419   0.414
  514    HB1  ALA  63           HB1      ALA  63 -14.921  -3.935   0.565
  515    HB2  ALA  63           HB2      ALA  63 -16.068  -4.290  -0.721
  516    HB3  ALA  63           HB3      ALA  63 -14.663  -5.330  -0.480
  517    H    MET  64           HN       MET  64 -15.779  -8.002   1.594
  518    HA   MET  64           HA       MET  64 -14.601  -7.548   4.157
  519    HB2  MET  64           HB2      MET  64 -14.565 -10.075   2.493
  520    HB3  MET  64           HB1      MET  64 -14.236  -9.958   4.213
  521    HG2  MET  64           HG2      MET  64 -16.405 -10.793   4.069
  522    HG3  MET  64           HG1      MET  64 -16.607  -9.084   4.453
  523    HE1  MET  64           HE1      MET  64 -19.708  -9.839   2.176
  524    HE2  MET  64           HE2      MET  64 -19.163  -9.193   3.724
  525    HE3  MET  64           HE3      MET  64 -18.970 -10.908   3.369
  526    H    ILE  65           HN       ILE  65 -12.655  -6.627   4.304
  527    HA   ILE  65           HA       ILE  65 -10.605  -7.361   2.336
  528    HB   ILE  65           HB       ILE  65 -10.751  -4.998   4.212
  529   HG12  ILE  65          HG12      ILE  65 -12.214  -4.747   2.299
  530   HG13  ILE  65          HG11      ILE  65 -10.817  -3.699   2.092
  531   HG21  ILE  65          HG21      ILE  65  -8.579  -5.722   2.251
  532   HG22  ILE  65          HG22      ILE  65  -8.445  -5.730   4.010
  533   HG23  ILE  65          HG23      ILE  65  -8.690  -4.209   3.151
  534   HD11  ILE  65          HD11      ILE  65  -9.830  -5.358   0.572
  535   HD12  ILE  65          HD12      ILE  65 -11.381  -4.741   0.004
  536   HD13  ILE  65          HD13      ILE  65 -11.285  -6.342   0.737
  537    H    GLU  66           HN       GLU  66  -8.875  -8.478   2.898
  538    HA   GLU  66           HA       GLU  66  -8.584  -9.251   5.725
  539    HB2  GLU  66           HB2      GLU  66  -7.566 -10.705   3.286
  540    HB3  GLU  66           HB1      GLU  66  -7.651 -11.313   4.930
  541    HG2  GLU  66           HG2      GLU  66  -9.993 -11.514   4.847
  542    HG3  GLU  66           HG1      GLU  66 -10.096 -10.548   3.373
  543    H    ASN  67           HN       ASN  67  -6.538  -9.232   6.659
  544    HA   ASN  67           HA       ASN  67  -4.304  -8.333   4.997
  545    HB2  ASN  67           HB2      ASN  67  -5.341  -6.968   7.447
  546    HB3  ASN  67           HB1      ASN  67  -3.606  -6.977   7.144
  547   HD21  ASN  67          HD21      ASN  67  -6.691  -5.789   6.104
  548   HD22  ASN  67          HD22      ASN  67  -6.087  -4.636   4.969
  549    H    ARG  68           HN       ARG  68  -2.846  -9.860   5.113
  550    HA   ARG  68           HA       ARG  68  -2.259 -11.060   7.742
  551    HB2  ARG  68           HB2      ARG  68  -2.291 -12.367   5.023
  552    HB3  ARG  68           HB1      ARG  68  -1.459 -13.072   6.400
  553    HG2  ARG  68           HG2      ARG  68  -3.642 -13.054   7.618
  554    HG3  ARG  68           HG1      ARG  68  -4.407 -12.560   6.108
  555    HD2  ARG  68           HD2      ARG  68  -2.746 -15.056   6.429
  556    HD3  ARG  68           HD1      ARG  68  -4.502 -15.015   6.564
  557    HE   ARG  68           HE       ARG  68  -4.000 -13.882   4.139
  558   HH11  ARG  68          HH11      ARG  68  -3.060 -16.884   5.646
  559   HH12  ARG  68          HH12      ARG  68  -3.100 -17.803   4.170
  560   HH21  ARG  68          HH21      ARG  68  -4.025 -15.061   2.177
  561   HH22  ARG  68          HH22      ARG  68  -3.613 -16.744   2.179
  562    H    ARG  69           HN       ARG  69   0.047 -11.678   7.994
  563    HA   ARG  69           HA       ARG  69   1.695  -9.924   6.317
  564    HB2  ARG  69           HB2      ARG  69   3.146  -9.502   8.205
  565    HB3  ARG  69           HB1      ARG  69   1.491  -9.080   8.605
  566    HG2  ARG  69           HG2      ARG  69   1.390 -11.427   9.674
  567    HG3  ARG  69           HG1      ARG  69   3.152 -11.351   9.607
  568    HD2  ARG  69           HD2      ARG  69   1.261  -9.531  11.072
  569    HD3  ARG  69           HD1      ARG  69   2.545 -10.535  11.740
  570    HE   ARG  69           HE       ARG  69   4.116  -8.994  10.551
  571   HH11  ARG  69          HH11      ARG  69   0.928  -7.933  11.558
  572   HH12  ARG  69          HH12      ARG  69   1.354  -6.253  11.579
  573   HH21  ARG  69          HH21      ARG  69   4.670  -6.764  10.577
  574   HH22  ARG  69          HH22      ARG  69   3.478  -5.589  11.032
  575    H    MET  70           HN       MET  70   3.226 -10.799   5.176
  576    HA   MET  70           HA       MET  70   4.044 -13.553   5.799
  577    HB2  MET  70           HB2      MET  70   3.902 -12.210   3.094
  578    HB3  MET  70           HB1      MET  70   4.502 -13.825   3.406
  579    HG2  MET  70           HG2      MET  70   2.330 -14.015   2.498
  580    HG3  MET  70           HG1      MET  70   2.254 -14.472   4.190
  581    HE1  MET  70           HE1      MET  70  -1.243 -12.856   3.353
  582    HE2  MET  70           HE2      MET  70  -0.439 -14.287   3.995
  583    HE3  MET  70           HE3      MET  70  -0.215 -13.834   2.307
  584    H    GLN  71           HN       GLN  71   6.195 -14.040   5.784
  585    HA   GLN  71           HA       GLN  71   8.058 -11.842   5.801
  586    HB2  GLN  71           HB2      GLN  71   8.177 -13.790   7.375
  587    HB3  GLN  71           HB1      GLN  71   8.653 -14.791   6.012
  588    HG2  GLN  71           HG2      GLN  71  10.672 -13.575   5.720
  589    HG3  GLN  71           HG1      GLN  71  10.172 -12.347   6.883
  590   HE21  GLN  71          HE21      GLN  71  10.163 -12.859   9.090
  591   HE22  GLN  71          HE22      GLN  71  11.072 -14.194   9.713
  592    H    TYR  72           HN       TYR  72   9.513 -11.322   4.288
  593    HA   TYR  72           HA       TYR  72   8.894 -12.036   1.613
  594    HB2  TYR  72           HB2      TYR  72   9.618  -9.766   2.299
  595    HB3  TYR  72           HB1      TYR  72  11.214 -10.404   2.668
  596    HD1  TYR  72           HD1      TYR  72  12.666 -11.232   0.812
  597    HD2  TYR  72           HD2      TYR  72   8.986  -9.241   0.067
  598    HE1  TYR  72           HE1      TYR  72  13.374 -10.807  -1.503
  599    HE2  TYR  72           HE2      TYR  72   9.678  -8.818  -2.252
  600    HH   TYR  72           HH       TYR  72  11.993  -8.586  -3.466
  601    H    LEU  73           HN       LEU  73   9.480 -13.845   0.721
  602    HA   LEU  73           HA       LEU  73  12.306 -14.660   0.873
  603    HB2  LEU  73           HB2      LEU  73   9.851 -16.269   0.168
  604    HB3  LEU  73           HB1      LEU  73  11.486 -16.858  -0.023
  605    HG   LEU  73           HG       LEU  73  10.074 -16.201   2.561
  606   HD11  LEU  73          HD11      LEU  73  10.408 -18.574   3.022
  607   HD12  LEU  73          HD12      LEU  73  11.162 -18.776   1.440
  608   HD13  LEU  73          HD13      LEU  73   9.460 -18.328   1.556
  609   HD21  LEU  73          HD21      LEU  73  12.939 -17.067   2.148
  610   HD22  LEU  73          HD22      LEU  73  12.113 -16.935   3.699
  611   HD23  LEU  73          HD23      LEU  73  12.403 -15.491   2.731
  612    H    TYR  74           HN       TYR  74  12.629 -16.028  -1.430
  613    HA   TYR  74           HA       TYR  74  11.588 -14.379  -3.587
  614    HB2  TYR  74           HB2      TYR  74  13.734 -13.687  -4.421
  615    HB3  TYR  74           HB1      TYR  74  13.620 -13.204  -2.734
  616    HD1  TYR  74           HD1      TYR  74  14.747 -14.761  -1.000
  617    HD2  TYR  74           HD2      TYR  74  15.570 -14.900  -5.171
  618    HE1  TYR  74           HE1      TYR  74  16.880 -15.890  -0.539
  619    HE2  TYR  74           HE2      TYR  74  17.703 -16.032  -4.719
  620    HH   TYR  74           HH       TYR  74  19.295 -16.308  -2.945
  621    H    ALA  75           HN       ALA  75  11.964 -15.205  -5.667
  622    HA   ALA  75           HA       ALA  75  13.031 -17.920  -5.885
  623    HB1  ALA  75           HB1      ALA  75  10.316 -17.120  -6.941
  624    HB2  ALA  75           HB2      ALA  75  10.583 -18.086  -5.492
  625    HB3  ALA  75           HB3      ALA  75  11.072 -18.708  -7.063
  626    H    ASP  76           HN       ASP  76  11.965 -18.055  -8.687
  627    HA   ASP  76           HA       ASP  76  13.902 -16.426 -10.017
  628    HB2  ASP  76           HB2      ASP  76  13.097 -18.537 -11.014
  629    HB3  ASP  76           HB1      ASP  76  11.479 -17.851 -11.153
  630    H    GLY  77           HN       GLY  77  13.608 -14.359 -10.928
  631    HA2  GLY  77           HA2      GLY  77  11.564 -12.931  -9.511
  632    HA3  GLY  77           HA1      GLY  77  12.786 -12.230 -10.556
  633    H    ASP  78           HN       ASP  78  10.000 -14.377 -10.942
  634    HA   ASP  78           HA       ASP  78   8.661 -12.155 -12.320
  635    HB2  ASP  78           HB2      ASP  78   8.972 -14.052 -13.900
  636    HB3  ASP  78           HB1      ASP  78   8.139 -15.111 -12.759
  637    H    ASN  79           HN       ASN  79   8.759 -14.713 -10.027
  638    HA   ASN  79           HA       ASN  79   6.458 -13.587  -8.609
  639    HB2  ASN  79           HB2      ASN  79   7.040 -16.530  -9.003
  640    HB3  ASN  79           HB1      ASN  79   5.808 -15.889  -7.914
  641   HD21  ASN  79          HD21      ASN  79   3.949 -14.950  -8.796
  642   HD22  ASN  79          HD22      ASN  79   3.482 -15.234 -10.436
  643    H    HIS  80           HN       HIS  80   6.690 -13.490  -6.407
  644    HA   HIS  80           HA       HIS  80   9.226 -14.538  -5.325
  645    HB2  HIS  80           HB2      HIS  80   7.848 -11.918  -4.823
  646    HB3  HIS  80           HB1      HIS  80   8.936 -12.607  -3.623
  647    HD1  HIS  80           HD1      HIS  80   8.952 -11.376  -7.203
  648    HD2  HIS  80           HD2      HIS  80  11.599 -12.224  -4.116
  649    HE1  HIS  80           HE1      HIS  80  11.192 -10.557  -7.989
  650    HE2  HIS  80           HE2      HIS  80  12.799 -11.187  -6.157
  651    H    VAL  81           HN       VAL  81   9.201 -15.442  -3.285
  652    HA   VAL  81           HA       VAL  81   6.624 -16.571  -2.583
  653    HB   VAL  81           HB       VAL  81   9.378 -17.194  -1.501
  654   HG11  VAL  81          HG11      VAL  81   7.571 -17.797   0.050
  655   HG12  VAL  81          HG12      VAL  81   8.370 -19.223  -0.610
  656   HG13  VAL  81          HG13      VAL  81   6.792 -18.731  -1.227
  657   HG21  VAL  81          HG21      VAL  81   7.720 -18.579  -3.605
  658   HG22  VAL  81          HG22      VAL  81   9.230 -19.194  -2.936
  659   HG23  VAL  81          HG23      VAL  81   9.223 -17.695  -3.866
  660    H    PHE  82           HN       PHE  82   5.514 -16.129  -0.746
  661    HA   PHE  82           HA       PHE  82   6.828 -14.522   1.339
  662    HB2  PHE  82           HB2      PHE  82   4.139 -14.096   0.037
  663    HB3  PHE  82           HB1      PHE  82   4.503 -13.449   1.626
  664    HD1  PHE  82           HD1      PHE  82   5.398 -13.295  -1.949
  665    HD2  PHE  82           HD2      PHE  82   5.849 -11.537   1.908
  666    HE1  PHE  82           HE1      PHE  82   6.422 -11.310  -2.976
  667    HE2  PHE  82           HE2      PHE  82   6.875  -9.549   0.880
  668    HZ   PHE  82           HZ       PHE  82   7.161  -9.435  -1.563
  669    H    MET  83           HN       MET  83   6.652 -15.438   3.320
  670    HA   MET  83           HA       MET  83   4.895 -17.775   3.549
  671    HB2  MET  83           HB2      MET  83   7.203 -16.851   5.255
  672    HB3  MET  83           HB1      MET  83   6.188 -18.227   5.659
  673    HG2  MET  83           HG2      MET  83   6.841 -19.269   3.508
  674    HG3  MET  83           HG1      MET  83   7.959 -17.931   3.247
  675    HE1  MET  83           HE1      MET  83   8.978 -17.421   6.271
  676    HE2  MET  83           HE2      MET  83  10.019 -17.403   4.849
  677    HE3  MET  83           HE3      MET  83  10.453 -18.386   6.247
  678    H    ASP  84           HN       ASP  84   2.979 -17.507   4.384
  679    HA   ASP  84           HA       ASP  84   2.092 -15.250   5.796
  680    HB2  ASP  84           HB2      ASP  84   0.529 -16.623   4.586
  681    HB3  ASP  84           HB1      ASP  84   0.933 -18.023   5.573
  682    H    ASN  85           HN       ASN  85   2.606 -14.628   7.736
  683    HA   ASN  85           HA       ASN  85   3.735 -16.329   9.715
  684    HB2  ASN  85           HB2      ASN  85   2.732 -13.491   9.763
  685    HB3  ASN  85           HB1      ASN  85   3.312 -14.289  11.221
  686   HD21  ASN  85          HD21      ASN  85   4.984 -12.843  11.447
  687   HD22  ASN  85          HD22      ASN  85   6.385 -12.862  10.425
  688    H    GLU  86           HN       GLU  86   0.489 -15.555   8.845
  689    HA   GLU  86           HA       GLU  86  -0.717 -15.943  11.371
  690    HB2  GLU  86           HB2      GLU  86  -1.843 -16.370   8.602
  691    HB3  GLU  86           HB1      GLU  86  -2.797 -16.379  10.076
  692    HG2  GLU  86           HG2      GLU  86  -1.184 -14.047   9.074
  693    HG3  GLU  86           HG1      GLU  86  -2.920 -14.256   8.861
  694    H    SER  87           HN       SER  87  -0.345 -18.201   8.594
  695    HA   SER  87           HA       SER  87   0.757 -20.152  10.332
  696    HB2  SER  87           HB2      SER  87  -1.119 -21.870   9.850
  697    HB3  SER  87           HB1      SER  87  -1.384 -20.675  11.120
  698    HG   SER  87           HG       SER  87  -2.191 -19.616   8.824
  699    H    PHE  88           HN       PHE  88   2.338 -19.955   8.621
  700    HA   PHE  88           HA       PHE  88   3.549 -21.079   7.089
  701    HB2  PHE  88           HB2      PHE  88   1.693 -23.247   8.035
  702    HB3  PHE  88           HB1      PHE  88   3.111 -23.553   7.026
  703    HD1  PHE  88           HD1      PHE  88   1.906 -22.840  10.356
  704    HD2  PHE  88           HD2      PHE  88   5.370 -23.028   7.898
  705    HE1  PHE  88           HE1      PHE  88   3.326 -22.880  12.364
  706    HE2  PHE  88           HE2      PHE  88   6.797 -23.071   9.901
  707    HZ   PHE  88           HZ       PHE  88   5.773 -22.995  12.139
  708    H    GLU  89           HN       GLU  89   1.196 -19.738   5.852
  709    HA   GLU  89           HA       GLU  89   0.757 -21.537   3.587
  710    HB2  GLU  89           HB2      GLU  89  -0.583 -18.952   4.375
  711    HB3  GLU  89           HB1      GLU  89  -0.911 -19.804   2.871
  712    HG2  GLU  89           HG2      GLU  89  -1.794 -21.676   4.009
  713    HG3  GLU  89           HG1      GLU  89  -1.203 -21.092   5.563
  714    H    GLN  90           HN       GLN  90   2.054 -21.397   1.890
  715    HA   GLN  90           HA       GLN  90   3.741 -19.072   1.570
  716    HB2  GLN  90           HB2      GLN  90   4.798 -20.369  -0.258
  717    HB3  GLN  90           HB1      GLN  90   4.778 -21.229   1.273
  718    HG2  GLN  90           HG2      GLN  90   2.831 -22.517   0.490
  719    HG3  GLN  90           HG1      GLN  90   2.943 -21.695  -1.066
  720   HE21  GLN  90          HE21      GLN  90   4.379 -24.021   1.060
  721   HE22  GLN  90          HE22      GLN  90   5.450 -24.728  -0.099
  722    H    THR  91           HN       THR  91   3.052 -17.364   0.542
  723    HA   THR  91           HA       THR  91   1.122 -17.664  -1.651
  724    HB   THR  91           HB       THR  91   1.710 -15.232   0.047
  725    HG1  THR  91           HG1      THR  91  -0.059 -17.355   0.320
  726   HG21  THR  91          HG21      THR  91  -0.323 -14.297  -0.973
  727   HG22  THR  91          HG22      THR  91  -0.451 -15.721  -2.005
  728   HG23  THR  91          HG23      THR  91   0.921 -14.627  -2.179
  729    H    GLU  92           HN       GLU  92   1.809 -17.153  -3.669
  730    HA   GLU  92           HA       GLU  92   4.392 -15.792  -3.898
  731    HB2  GLU  92           HB2      GLU  92   4.489 -16.689  -6.179
  732    HB3  GLU  92           HB1      GLU  92   4.282 -17.969  -4.993
  733    HG2  GLU  92           HG2      GLU  92   1.864 -17.983  -5.506
  734    HG3  GLU  92           HG1      GLU  92   2.169 -16.811  -6.786
  735    H    LEU  93           HN       LEU  93   4.644 -13.951  -5.074
  736    HA   LEU  93           HA       LEU  93   2.163 -12.681  -6.028
  737    HB2  LEU  93           HB2      LEU  93   4.557 -11.493  -4.648
  738    HB3  LEU  93           HB1      LEU  93   3.369 -10.512  -5.481
  739    HG   LEU  93           HG       LEU  93   2.886 -12.262  -3.066
  740   HD11  LEU  93          HD11      LEU  93   4.079 -10.218  -2.546
  741   HD12  LEU  93          HD12      LEU  93   2.421 -10.127  -1.951
  742   HD13  LEU  93          HD13      LEU  93   2.879  -9.269  -3.423
  743   HD21  LEU  93          HD21      LEU  93   0.624 -11.198  -3.085
  744   HD22  LEU  93          HD22      LEU  93   0.906 -12.335  -4.399
  745   HD23  LEU  93          HD23      LEU  93   0.978 -10.600  -4.707
  746    H    SER  94           HN       SER  94   2.246 -11.489  -7.915
  747    HA   SER  94           HA       SER  94   4.200 -12.495  -9.783
  748    HB2  SER  94           HB2      SER  94   1.716 -12.371 -10.244
  749    HB3  SER  94           HB1      SER  94   1.909 -10.624 -10.371
  750    HG   SER  94           HG       SER  94   2.111 -12.172 -12.329
  751    H    SER  95           HN       SER  95   4.822 -10.840 -11.593
  752    HA   SER  95           HA       SER  95   6.847  -9.311 -10.483
  753    HB2  SER  95           HB2      SER  95   6.817 -10.197 -12.807
  754    HB3  SER  95           HB1      SER  95   5.644  -8.948 -13.230
  755    HG   SER  95           HG       SER  95   8.365  -8.762 -12.776
  756    H    ASP  96           HN       ASP  96   3.679  -8.249 -11.702
  757    HA   ASP  96           HA       ASP  96   4.192  -5.489 -11.471
  758    HB2  ASP  96           HB2      ASP  96   2.360  -6.310 -12.838
  759    HB3  ASP  96           HB1      ASP  96   1.542  -6.937 -11.408
  760    H    TYR  97           HN       TYR  97   2.863  -7.808  -9.169
  761    HA   TYR  97           HA       TYR  97   2.186  -5.882  -7.203
  762    HB2  TYR  97           HB2      TYR  97   2.853  -8.820  -6.932
  763    HB3  TYR  97           HB1      TYR  97   2.233  -7.822  -5.621
  764    HD1  TYR  97           HD1      TYR  97  -0.085  -7.069  -5.619
  765    HD2  TYR  97           HD2      TYR  97   1.420  -9.508  -8.760
  766    HE1  TYR  97           HE1      TYR  97  -2.387  -7.541  -6.348
  767    HE2  TYR  97           HE2      TYR  97  -0.875  -9.989  -9.496
  768    HH   TYR  97           HH       TYR  97  -3.566  -8.246  -8.393
  769    H    LEU  98           HN       LEU  98   5.047  -7.769  -7.927
  770    HA   LEU  98           HA       LEU  98   6.570  -6.788  -5.716
  771    HB2  LEU  98           HB2      LEU  98   7.057  -8.515  -8.051
  772    HB3  LEU  98           HB1      LEU  98   8.455  -7.640  -7.457
  773    HG   LEU  98           HG       LEU  98   8.298  -9.902  -6.513
  774   HD11  LEU  98          HD11      LEU  98   7.835  -7.781  -4.429
  775   HD12  LEU  98          HD12      LEU  98   9.368  -8.077  -5.246
  776   HD13  LEU  98          HD13      LEU  98   8.666  -9.320  -4.210
  777   HD21  LEU  98          HD21      LEU  98   6.543 -10.404  -4.873
  778   HD22  LEU  98          HD22      LEU  98   5.900 -10.180  -6.500
  779   HD23  LEU  98          HD23      LEU  98   5.732  -8.899  -5.299
  780    H    LYS  99           HN       LYS  99   5.631  -5.444  -8.642
  781    HA   LYS  99           HA       LYS  99   7.873  -3.895  -9.305
  782    HB2  LYS  99           HB2      LYS  99   5.875  -4.294 -10.728
  783    HB3  LYS  99           HB1      LYS  99   4.964  -3.199  -9.705
  784    HG2  LYS  99           HG2      LYS  99   6.511  -1.383 -10.333
  785    HG3  LYS  99           HG1      LYS  99   7.332  -2.501 -11.425
  786    HD2  LYS  99           HD2      LYS  99   4.410  -1.769 -11.569
  787    HD3  LYS  99           HD1      LYS  99   5.675  -1.076 -12.581
  788    HE2  LYS  99           HE2      LYS  99   6.062  -3.110 -13.685
  789    HE3  LYS  99           HE1      LYS  99   5.201  -4.038 -12.462
  790    HZ1  LYS  99           HZ1      LYS  99   3.132  -3.144 -13.202
  791    HZ2  LYS  99           HZ2      LYS  99   3.958  -3.741 -14.555
  792    HZ3  LYS  99           HZ3      LYS  99   3.904  -2.077 -14.271
  793    H    GLU 100           HN       GLU 100   5.078  -3.177  -7.223
  794    HA   GLU 100           HA       GLU 100   6.107  -0.630  -6.408
  795    HB2  GLU 100           HB2      GLU 100   3.698  -1.149  -6.332
  796    HB3  GLU 100           HB1      GLU 100   4.008  -2.369  -5.107
  797    HG2  GLU 100           HG2      GLU 100   3.139  -0.349  -4.103
  798    HG3  GLU 100           HG1      GLU 100   4.793  -0.641  -3.574
  799    H    GLU 101           HN       GLU 101   6.169  -3.913  -5.116
  800    HA   GLU 101           HA       GLU 101   7.425  -3.379  -2.684
  801    HB2  GLU 101           HB2      GLU 101   8.022  -5.800  -4.375
  802    HB3  GLU 101           HB1      GLU 101   8.045  -5.677  -2.624
  803    HG2  GLU 101           HG2      GLU 101   5.596  -5.531  -4.367
  804    HG3  GLU 101           HG1      GLU 101   6.117  -6.927  -3.428
  805    H    LEU 102           HN       LEU 102   8.803  -3.899  -5.912
  806    HA   LEU 102           HA       LEU 102  11.516  -3.765  -5.058
  807    HB2  LEU 102           HB2      LEU 102  10.241  -3.530  -7.778
  808    HB3  LEU 102           HB1      LEU 102  11.976  -3.489  -7.524
  809    HG   LEU 102           HG       LEU 102  10.162  -5.805  -6.836
  810   HD11  LEU 102          HD11      LEU 102  12.155  -5.469  -9.071
  811   HD12  LEU 102          HD12      LEU 102  10.400  -5.501  -9.238
  812   HD13  LEU 102          HD13      LEU 102  11.261  -6.941  -8.695
  813   HD21  LEU 102          HD21      LEU 102  12.054  -5.699  -5.329
  814   HD22  LEU 102          HD22      LEU 102  13.160  -5.522  -6.691
  815   HD23  LEU 102          HD23      LEU 102  12.268  -7.026  -6.471
  816    H    ASN 103           HN       ASN 103   9.195  -1.440  -5.238
  817    HA   ASN 103           HA       ASN 103  10.939   0.753  -5.906
  818    HB2  ASN 103           HB2      ASN 103   8.566   0.989  -6.361
  819    HB3  ASN 103           HB1      ASN 103   8.169   0.638  -4.687
  820   HD21  ASN 103          HD21      ASN 103   6.996   2.548  -4.590
  821   HD22  ASN 103          HD22      ASN 103   7.790   4.086  -4.438
  822    H    TYR 104           HN       TYR 104   9.417  -0.597  -2.983
  823    HA   TYR 104           HA       TYR 104  11.831   0.081  -1.487
  824    HB2  TYR 104           HB2      TYR 104   9.065   0.940  -0.593
  825    HB3  TYR 104           HB1      TYR 104  10.491   0.961   0.426
  826    HD1  TYR 104           HD1      TYR 104  12.461   2.441  -0.356
  827    HD2  TYR 104           HD2      TYR 104   8.502   2.806  -1.860
  828    HE1  TYR 104           HE1      TYR 104  12.963   4.728  -1.103
  829    HE2  TYR 104           HE2      TYR 104   8.993   5.093  -2.614
  830    HH   TYR 104           HH       TYR 104  12.134   6.339  -2.775
  831    H    LEU 105           HN       LEU 105  12.440  -1.813  -0.593
  832    HA   LEU 105           HA       LEU 105  10.789  -3.251   1.196
  833    HB2  LEU 105           HB2      LEU 105  10.181  -5.153   0.053
  834    HB3  LEU 105           HB1      LEU 105   9.990  -3.946  -1.200
  835    HG   LEU 105           HG       LEU 105  12.296  -5.883  -0.914
  836   HD11  LEU 105          HD11      LEU 105  10.206  -6.854  -1.737
  837   HD12  LEU 105          HD12      LEU 105  11.454  -6.820  -2.982
  838   HD13  LEU 105          HD13      LEU 105  10.148  -5.635  -3.011
  839   HD21  LEU 105          HD21      LEU 105  13.156  -3.808  -1.793
  840   HD22  LEU 105          HD22      LEU 105  11.834  -3.713  -2.953
  841   HD23  LEU 105          HD23      LEU 105  13.041  -4.989  -3.097
  842    H    LYS 106           HN       LYS 106  11.891  -5.288   1.946
  843    HA   LYS 106           HA       LYS 106  14.709  -5.509   1.221
  844    HB2  LYS 106           HB2      LYS 106  13.714  -5.118   4.042
  845    HB3  LYS 106           HB1      LYS 106  15.284  -5.801   3.671
  846    HG2  LYS 106           HG2      LYS 106  14.359  -3.065   2.830
  847    HG3  LYS 106           HG1      LYS 106  15.358  -3.405   4.242
  848    HD2  LYS 106           HD2      LYS 106  16.097  -4.031   1.381
  849    HD3  LYS 106           HD1      LYS 106  16.691  -2.657   2.313
  850    HE2  LYS 106           HE2      LYS 106  17.622  -4.288   3.966
  851    HE3  LYS 106           HE1      LYS 106  17.180  -5.581   2.852
  852    HZ1  LYS 106           HZ1      LYS 106  18.598  -4.496   1.164
  853    HZ2  LYS 106           HZ2      LYS 106  19.466  -5.003   2.529
  854    HZ3  LYS 106           HZ3      LYS 106  19.088  -3.370   2.328
  855    H    GLU 107           HN       GLU 107  15.574  -7.571   1.569
  856    HA   GLU 107           HA       GLU 107  13.701  -9.693   1.407
  857    HB2  GLU 107           HB2      GLU 107  15.929  -9.696   0.300
  858    HB3  GLU 107           HB1      GLU 107  16.684  -9.836   1.882
  859    HG2  GLU 107           HG2      GLU 107  15.542 -11.982   2.215
  860    HG3  GLU 107           HG1      GLU 107  14.846 -11.844   0.600
  861    H    GLY 108           HN       GLY 108  12.906 -11.018   2.964
  862    HA2  GLY 108           HA2      GLY 108  12.806 -12.063   5.061
  863    HA3  GLY 108           HA1      GLY 108  14.137 -11.056   5.604
  864    H    MET 109           HN       MET 109  12.128  -8.958   4.146
  865    HA   MET 109           HA       MET 109  11.107  -7.936   6.619
  866    HB2  MET 109           HB2      MET 109  11.776  -6.418   4.840
  867    HB3  MET 109           HB1      MET 109  10.579  -7.117   3.760
  868    HG2  MET 109           HG2      MET 109   8.795  -6.303   5.201
  869    HG3  MET 109           HG1      MET 109   9.988  -5.611   6.294
  870    HE1  MET 109           HE1      MET 109  12.131  -4.195   4.667
  871    HE2  MET 109           HE2      MET 109  11.219  -3.431   5.966
  872    HE3  MET 109           HE3      MET 109  11.413  -2.605   4.419
  873    H    GLU 110           HN       GLU 110   9.016  -7.920   7.362
  874    HA   GLU 110           HA       GLU 110   7.288  -9.925   6.107
  875    HB2  GLU 110           HB2      GLU 110   7.292  -8.858   8.935
  876    HB3  GLU 110           HB1      GLU 110   6.232 -10.124   8.321
  877    HG2  GLU 110           HG2      GLU 110   8.101 -11.580   7.935
  878    HG3  GLU 110           HG1      GLU 110   9.238 -10.301   8.352
  879    H    VAL 111           HN       VAL 111   5.949  -8.973   4.743
  880    HA   VAL 111           HA       VAL 111   4.903  -6.301   5.356
  881    HB   VAL 111           HB       VAL 111   4.331  -6.118   3.013
  882   HG11  VAL 111          HG11      VAL 111   7.119  -7.222   3.357
  883   HG12  VAL 111          HG12      VAL 111   6.619  -5.551   3.613
  884   HG13  VAL 111          HG13      VAL 111   6.562  -6.251   1.996
  885   HG21  VAL 111          HG21      VAL 111   5.306  -8.963   2.748
  886   HG22  VAL 111          HG22      VAL 111   4.863  -7.907   1.406
  887   HG23  VAL 111          HG23      VAL 111   3.641  -8.404   2.577
  888    H    GLN 112           HN       GLN 112   2.596  -5.898   4.692
  889    HA   GLN 112           HA       GLN 112   1.000  -8.205   5.565
  890    HB2  GLN 112           HB2      GLN 112   0.449  -5.252   5.748
  891    HB3  GLN 112           HB1      GLN 112  -0.749  -6.481   6.117
  892    HG2  GLN 112           HG2      GLN 112   0.685  -7.343   7.886
  893    HG3  GLN 112           HG1      GLN 112   1.897  -6.120   7.504
  894   HE21  GLN 112          HE21      GLN 112  -1.218  -6.739   8.905
  895   HE22  GLN 112          HE22      GLN 112  -1.399  -5.203   9.681
  896    H    ILE 113           HN       ILE 113   0.417  -9.269   3.774
  897    HA   ILE 113           HA       ILE 113  -0.293  -7.926   1.349
  898    HB   ILE 113           HB       ILE 113  -0.567 -10.828   2.147
  899   HG12  ILE 113          HG12      ILE 113   1.416  -9.374   0.375
  900   HG13  ILE 113          HG11      ILE 113   1.748 -10.052   1.964
  901   HG21  ILE 113          HG21      ILE 113  -0.959 -11.274  -0.236
  902   HG22  ILE 113          HG22      ILE 113  -0.983  -9.540  -0.553
  903   HG23  ILE 113          HG23      ILE 113  -2.230 -10.269   0.459
  904   HD11  ILE 113          HD11      ILE 113   1.317 -12.293   1.084
  905   HD12  ILE 113          HD12      ILE 113   2.617 -11.477   0.217
  906   HD13  ILE 113          HD13      ILE 113   1.014 -11.601  -0.509
  907    H    GLN 114           HN       GLN 114  -2.231  -7.283   0.701
  908    HA   GLN 114           HA       GLN 114  -4.459  -7.689   2.560
  909    HB2  GLN 114           HB2      GLN 114  -3.602  -5.367   2.215
  910    HB3  GLN 114           HB1      GLN 114  -4.065  -5.491   0.524
  911    HG2  GLN 114           HG2      GLN 114  -6.363  -5.603   1.072
  912    HG3  GLN 114           HG1      GLN 114  -6.012  -5.815   2.786
  913   HE21  GLN 114          HE21      GLN 114  -3.919  -3.825   2.839
  914   HE22  GLN 114          HE22      GLN 114  -4.693  -2.284   2.730
  915    H    THR 115           HN       THR 115  -5.899  -9.108   1.895
  916    HA   THR 115           HA       THR 115  -6.291  -9.480  -0.991
  917    HB   THR 115           HB       THR 115  -6.966 -11.798  -0.472
  918    HG1  THR 115           HG1      THR 115  -7.659 -11.852   1.589
  919   HG21  THR 115          HG21      THR 115  -4.651 -11.415  -1.050
  920   HG22  THR 115          HG22      THR 115  -4.735 -12.640   0.215
  921   HG23  THR 115          HG23      THR 115  -4.275 -10.985   0.617
  922    H    TYR 116           HN       TYR 116  -8.404  -9.904  -1.736
  923    HA   TYR 116           HA       TYR 116 -10.576  -9.317   0.155
  924    HB2  TYR 116           HB2      TYR 116 -10.487  -7.536  -1.448
  925    HB3  TYR 116           HB1      TYR 116 -10.301  -8.662  -2.785
  926    HD1  TYR 116           HD1      TYR 116 -12.758  -8.195   0.013
  927    HD2  TYR 116           HD2      TYR 116 -12.135  -8.772  -4.154
  928    HE1  TYR 116           HE1      TYR 116 -15.189  -8.158  -0.350
  929    HE2  TYR 116           HE2      TYR 116 -14.564  -8.740  -4.529
  930    HH   TYR 116           HH       TYR 116 -16.611  -9.068  -3.354
  931    H    GLU 117           HN       GLU 117 -11.165 -11.315   0.741
  932    HA   GLU 117           HA       GLU 117 -11.990 -13.424   0.657
  933    HB2  GLU 117           HB2      GLU 117 -13.678 -12.237  -0.820
  934    HB3  GLU 117           HB1      GLU 117 -12.764 -12.828  -2.201
  935    HG2  GLU 117           HG2      GLU 117 -13.166 -15.136  -1.439
  936    HG3  GLU 117           HG1      GLU 117 -14.154 -14.502  -0.122
  937    H    GLY 118           HN       GLY 118  -9.301 -13.097   0.239
  938    HA2  GLY 118           HA2      GLY 118  -7.601 -14.640  -0.220
  939    HA3  GLY 118           HA1      GLY 118  -8.687 -15.493  -1.302
  940    H    GLU 119           HN       GLU 119  -9.242 -12.702  -2.526
  941    HA   GLU 119           HA       GLU 119  -7.310 -13.069  -4.637
  942    HB2  GLU 119           HB2      GLU 119  -9.857 -12.542  -4.777
  943    HB3  GLU 119           HB1      GLU 119  -9.362 -10.879  -4.524
  944    HG2  GLU 119           HG2      GLU 119  -8.241 -12.564  -6.734
  945    HG3  GLU 119           HG1      GLU 119  -9.736 -11.654  -6.908
  946    H    THR 120           HN       THR 120  -5.383 -12.082  -4.637
  947    HA   THR 120           HA       THR 120  -4.622 -10.189  -2.683
  948    HB   THR 120           HB       THR 120  -3.161 -10.822  -5.248
  949    HG1  THR 120           HG1      THR 120  -2.329 -12.576  -4.205
  950   HG21  THR 120          HG21      THR 120  -2.299  -8.882  -4.007
  951   HG22  THR 120          HG22      THR 120  -1.167 -10.232  -3.960
  952   HG23  THR 120          HG23      THR 120  -2.171  -9.872  -2.555
  953    H    ILE 121           HN       ILE 121  -5.447  -8.160  -2.656
  954    HA   ILE 121           HA       ILE 121  -5.804  -6.796  -5.218
  955    HB   ILE 121           HB       ILE 121  -7.265  -5.237  -4.080
  956   HG12  ILE 121          HG12      ILE 121  -7.901  -6.125  -1.621
  957   HG13  ILE 121          HG11      ILE 121  -6.192  -6.548  -1.638
  958   HG21  ILE 121          HG21      ILE 121  -7.855  -8.125  -3.494
  959   HG22  ILE 121          HG22      ILE 121  -8.287  -7.214  -4.941
  960   HG23  ILE 121          HG23      ILE 121  -9.044  -6.827  -3.395
  961   HD11  ILE 121          HD11      ILE 121  -5.627  -4.224  -2.128
  962   HD12  ILE 121          HD12      ILE 121  -6.548  -4.372  -0.631
  963   HD13  ILE 121          HD13      ILE 121  -7.340  -3.805  -2.101
  964    H    GLY 122           HN       GLY 122  -3.858  -6.699  -2.355
  965    HA2  GLY 122           HA2      GLY 122  -2.111  -4.782  -3.551
  966    HA3  GLY 122           HA1      GLY 122  -3.055  -4.063  -2.257
  967    H    VAL 123           HN       VAL 123  -0.491  -3.948  -1.879
  968    HA   VAL 123           HA       VAL 123  -0.022  -5.916   0.243
  969    HB   VAL 123           HB       VAL 123   2.146  -4.980  -1.647
  970   HG11  VAL 123          HG11      VAL 123   3.542  -6.610  -0.458
  971   HG12  VAL 123          HG12      VAL 123   2.200  -6.954   0.633
  972   HG13  VAL 123          HG13      VAL 123   2.938  -5.353   0.621
  973   HG21  VAL 123          HG21      VAL 123   2.237  -7.304  -2.425
  974   HG22  VAL 123          HG22      VAL 123   0.666  -6.574  -2.756
  975   HG23  VAL 123          HG23      VAL 123   0.850  -7.697  -1.409
  976    H    GLU 124           HN       GLU 124   0.528  -5.021   2.108
  977    HA   GLU 124           HA       GLU 124   0.950  -2.135   2.182
  978    HB2  GLU 124           HB2      GLU 124   0.263  -4.079   4.370
  979    HB3  GLU 124           HB1      GLU 124   0.380  -2.340   4.559
  980    HG2  GLU 124           HG2      GLU 124  -1.558  -3.705   2.713
  981    HG3  GLU 124           HG1      GLU 124  -1.941  -3.217   4.363
  982    H    LEU 125           HN       LEU 125   3.010  -1.559   2.132
  983    HA   LEU 125           HA       LEU 125   5.116  -3.253   3.114
  984    HB2  LEU 125           HB2      LEU 125   5.165  -0.429   2.038
  985    HB3  LEU 125           HB1      LEU 125   6.586  -1.385   2.405
  986    HG   LEU 125           HG       LEU 125   4.532  -2.201   0.352
  987   HD11  LEU 125          HD11      LEU 125   7.160  -0.775  -0.042
  988   HD12  LEU 125          HD12      LEU 125   5.558  -0.086  -0.305
  989   HD13  LEU 125          HD13      LEU 125   6.127  -1.410  -1.322
  990   HD21  LEU 125          HD21      LEU 125   7.348  -3.131   0.912
  991   HD22  LEU 125          HD22      LEU 125   6.320  -3.691  -0.408
  992   HD23  LEU 125          HD23      LEU 125   5.868  -4.024   1.264
  993    HA   PRO 126           HA       PRO 126   5.359  -1.567   7.295
  994    HB2  PRO 126           HB2      PRO 126   8.206  -2.344   6.908
  995    HB3  PRO 126           HB1      PRO 126   7.103  -2.743   8.230
  996    HG2  PRO 126           HG2      PRO 126   7.749  -4.571   6.407
  997    HG3  PRO 126           HG1      PRO 126   6.099  -4.468   7.049
  998    HD2  PRO 126           HD2      PRO 126   7.171  -3.544   4.415
  999    HD3  PRO 126           HD1      PRO 126   5.605  -4.286   4.802
 1000    H    LYS 127           HN       LYS 127   5.849   0.444   7.947
 1001    HA   LYS 127           HA       LYS 127   6.345   2.295   5.909
 1002    HB2  LYS 127           HB2      LYS 127   6.065   2.591   8.884
 1003    HB3  LYS 127           HB1      LYS 127   6.419   3.970   7.857
 1004    HG2  LYS 127           HG2      LYS 127   4.069   3.915   8.233
 1005    HG3  LYS 127           HG1      LYS 127   4.362   3.461   6.557
 1006    HD2  LYS 127           HD2      LYS 127   4.158   1.076   7.225
 1007    HD3  LYS 127           HD1      LYS 127   3.724   1.608   8.850
 1008    HE2  LYS 127           HE2      LYS 127   2.222   2.290   6.325
 1009    HE3  LYS 127           HE1      LYS 127   1.755   1.048   7.484
 1010    HZ1  LYS 127           HZ1      LYS 127   0.537   3.115   7.816
 1011    HZ2  LYS 127           HZ2      LYS 127   1.982   3.952   8.077
 1012    HZ3  LYS 127           HZ3      LYS 127   1.491   2.750   9.163
 1013    H    THR 128           HN       THR 128   8.508   1.043   8.401
 1014    HA   THR 128           HA       THR 128  10.561   2.896   7.470
 1015    HB   THR 128           HB       THR 128  11.921   1.848   9.361
 1016    HG1  THR 128           HG1      THR 128  10.898   0.031   9.951
 1017   HG21  THR 128          HG21      THR 128  10.864   4.047   9.545
 1018   HG22  THR 128          HG22      THR 128  10.766   3.178  11.077
 1019   HG23  THR 128          HG23      THR 128   9.349   3.287  10.031
 1020    H    VAL 129           HN       VAL 129  11.627   2.270   5.736
 1021    HA   VAL 129           HA       VAL 129  12.697  -0.471   5.673
 1022    HB   VAL 129           HB       VAL 129  10.907  -0.371   4.050
 1023   HG11  VAL 129          HG11      VAL 129  10.851   2.066   3.747
 1024   HG12  VAL 129          HG12      VAL 129  10.887   1.212   2.208
 1025   HG13  VAL 129          HG13      VAL 129  12.351   1.977   2.822
 1026   HG21  VAL 129          HG21      VAL 129  12.918  -1.641   3.449
 1027   HG22  VAL 129          HG22      VAL 129  13.577  -0.211   2.655
 1028   HG23  VAL 129          HG23      VAL 129  12.116  -0.977   2.026
 1029    H    GLU 130           HN       GLU 130  14.854  -0.621   5.195
 1030    HA   GLU 130           HA       GLU 130  16.219   1.926   4.667
 1031    HB2  GLU 130           HB2      GLU 130  18.237   0.806   5.655
 1032    HB3  GLU 130           HB1      GLU 130  16.924   1.111   6.781
 1033    HG2  GLU 130           HG2      GLU 130  16.289  -1.167   6.797
 1034    HG3  GLU 130           HG1      GLU 130  17.330  -1.536   5.425
 1035    H    LEU 131           HN       LEU 131  17.144   2.189   2.785
 1036    HA   LEU 131           HA       LEU 131  17.886  -0.190   1.219
 1037    HB2  LEU 131           HB2      LEU 131  16.793   2.427   0.180
 1038    HB3  LEU 131           HB1      LEU 131  17.289   1.068  -0.806
 1039    HG   LEU 131           HG       LEU 131  14.943   1.146   1.088
 1040   HD11  LEU 131          HD11      LEU 131  13.629   0.892  -0.950
 1041   HD12  LEU 131          HD12      LEU 131  15.105   0.943  -1.914
 1042   HD13  LEU 131          HD13      LEU 131  14.602   2.361  -0.995
 1043   HD21  LEU 131          HD21      LEU 131  14.440  -1.104   0.203
 1044   HD22  LEU 131          HD22      LEU 131  15.928  -1.058   1.145
 1045   HD23  LEU 131          HD23      LEU 131  16.002  -1.106  -0.615
 1046    H    THR 132           HN       THR 132  19.931  -0.241   0.536
 1047    HA   THR 132           HA       THR 132  21.739   1.875   1.211
 1048    HB   THR 132           HB       THR 132  22.423  -0.388  -0.641
 1049    HG1  THR 132           HG1      THR 132  21.303  -1.388   1.049
 1050   HG21  THR 132          HG21      THR 132  24.575  -0.258   0.497
 1051   HG22  THR 132          HG22      THR 132  23.939   0.963   1.598
 1052   HG23  THR 132          HG23      THR 132  24.120   1.333  -0.117
 1053    H    VAL 133           HN       VAL 133  22.540   3.472  -0.086
 1054    HA   VAL 133           HA       VAL 133  21.305   3.790  -2.675
 1055    HB   VAL 133           HB       VAL 133  21.402   5.771  -1.348
 1056   HG11  VAL 133          HG11      VAL 133  23.288   5.231   0.083
 1057   HG12  VAL 133          HG12      VAL 133  23.482   6.830  -0.639
 1058   HG13  VAL 133          HG13      VAL 133  24.395   5.457  -1.272
 1059   HG21  VAL 133          HG21      VAL 133  22.521   7.314  -2.864
 1060   HG22  VAL 133          HG22      VAL 133  21.663   6.056  -3.756
 1061   HG23  VAL 133          HG23      VAL 133  23.416   5.975  -3.581
 1062    H    THR 134           HN       THR 134  22.092   2.504  -4.154
 1063    HA   THR 134           HA       THR 134  24.955   2.061  -4.398
 1064    HB   THR 134           HB       THR 134  24.254   0.493  -6.249
 1065    HG1  THR 134           HG1      THR 134  22.048   1.732  -6.224
 1066   HG21  THR 134          HG21      THR 134  23.377  -1.228  -4.727
 1067   HG22  THR 134          HG22      THR 134  23.056   0.014  -3.517
 1068   HG23  THR 134          HG23      THR 134  24.714  -0.336  -4.001
 1069    H    GLU 135           HN       GLU 135  25.922   3.730  -5.300
 1070    HA   GLU 135           HA       GLU 135  26.750   5.032  -6.940
 1071    HB2  GLU 135           HB2      GLU 135  24.541   3.941  -8.681
 1072    HB3  GLU 135           HB1      GLU 135  25.853   4.973  -9.235
 1073    HG2  GLU 135           HG2      GLU 135  27.448   3.218  -8.434
 1074    HG3  GLU 135           HG1      GLU 135  26.053   2.179  -8.150
 1075    H    THR 136           HN       THR 136  26.596   7.009  -6.384
 1076    HA   THR 136           HA       THR 136  24.372   8.604  -7.332
 1077    HB   THR 136           HB       THR 136  23.687   8.088  -5.023
 1078    HG1  THR 136           HG1      THR 136  23.241  10.192  -5.859
 1079   HG21  THR 136          HG21      THR 136  25.008   8.869  -3.116
 1080   HG22  THR 136          HG22      THR 136  26.294   9.378  -4.209
 1081   HG23  THR 136          HG23      THR 136  25.895   7.667  -4.054
 1082    H    GLU 137           HN       GLU 137  24.983  10.860  -7.517
 1083    HA   GLU 137           HA       GLU 137  27.794  11.083  -8.126
 1084    HB2  GLU 137           HB2      GLU 137  25.547  13.077  -8.474
 1085    HB3  GLU 137           HB1      GLU 137  27.187  13.284  -9.065
 1086    HG2  GLU 137           HG2      GLU 137  25.947  12.601 -10.923
 1087    HG3  GLU 137           HG1      GLU 137  26.828  11.168 -10.403
 1088    HA   PRO 138           HA       PRO 138  28.598  13.154  -4.248
 1089    HB2  PRO 138           HB2      PRO 138  31.260  13.197  -4.438
 1090    HB3  PRO 138           HB1      PRO 138  30.393  11.679  -4.166
 1091    HG2  PRO 138           HG2      PRO 138  31.536  12.779  -6.703
 1092    HG3  PRO 138           HG1      PRO 138  31.586  11.120  -6.081
 1093    HD2  PRO 138           HD2      PRO 138  29.799  12.019  -7.976
 1094    HD3  PRO 138           HD1      PRO 138  29.517  10.623  -6.916
 1095    H    GLY 139           HN       GLY 139  30.164  15.062  -3.663
 1096    HA2  GLY 139           HA2      GLY 139  31.309  17.009  -4.673
 1097    HA3  GLY 139           HA1      GLY 139  30.008  17.038  -5.851
 1098    H    ILE 140           HN       ILE 140  29.515  16.478  -2.411
 1099    HA   ILE 140           HA       ILE 140  27.482  18.318  -2.100
 1100    HB   ILE 140           HB       ILE 140  27.847  16.641  -0.422
 1101   HG12  ILE 140          HG12      ILE 140  28.330  19.366   0.799
 1102   HG13  ILE 140          HG11      ILE 140  26.764  18.770   0.261
 1103   HG21  ILE 140          HG21      ILE 140  29.736  16.722   1.142
 1104   HG22  ILE 140          HG22      ILE 140  30.430  18.056   0.220
 1105   HG23  ILE 140          HG23      ILE 140  30.262  16.466  -0.522
 1106   HD11  ILE 140          HD11      ILE 140  26.888  16.986   1.918
 1107   HD12  ILE 140          HD12      ILE 140  26.998  18.579   2.661
 1108   HD13  ILE 140          HD13      ILE 140  28.450  17.598   2.460
 1109    H    LYS 141           HN       LYS 141  27.335  20.442  -1.880
 1110    HA   LYS 141           HA       LYS 141  29.618  21.999  -2.586
 1111    HB2  LYS 141           HB2      LYS 141  26.866  22.959  -1.796
 1112    HB3  LYS 141           HB1      LYS 141  28.079  23.864  -2.691
 1113    HG2  LYS 141           HG2      LYS 141  26.587  21.421  -3.625
 1114    HG3  LYS 141           HG1      LYS 141  26.401  23.075  -4.213
 1115    HD2  LYS 141           HD2      LYS 141  28.700  23.036  -5.050
 1116    HD3  LYS 141           HD1      LYS 141  28.895  21.389  -4.449
 1117    HE2  LYS 141           HE2      LYS 141  28.445  21.333  -6.815
 1118    HE3  LYS 141           HE1      LYS 141  27.074  20.661  -5.938
 1119    HZ1  LYS 141           HZ1      LYS 141  27.239  23.415  -7.037
 1120    HZ2  LYS 141           HZ2      LYS 141  25.921  22.767  -6.201
 1121    HZ3  LYS 141           HZ3      LYS 141  26.358  22.135  -7.704
 1122    H    GLY 142           HN       GLY 142  28.412  20.998   0.392
 1123    HA2  GLY 142           HA2      GLY 142  29.327  21.410   2.491
 1124    HA3  GLY 142           HA1      GLY 142  30.281  22.707   1.789
 1125    H    ASP 143           HN       ASP 143  27.993  23.991   0.581
 1126    HA   ASP 143           HA       ASP 143  27.154  25.707   2.640
 1127    HB2  ASP 143           HB2      ASP 143  27.206  26.441   0.334
 1128    HB3  ASP 143           HB1      ASP 143  26.041  25.206  -0.128
 1129    H    THR 144           HN       THR 144  25.131  25.929   3.649
 1130    HA   THR 144           HA       THR 144  23.867  23.499   4.364
 1131    HB   THR 144           HB       THR 144  23.951  25.223   6.004
 1132    HG1  THR 144           HG1      THR 144  22.111  24.343   6.550
 1133   HG21  THR 144          HG21      THR 144  24.071  27.187   4.593
 1134   HG22  THR 144          HG22      THR 144  22.756  27.371   5.754
 1135   HG23  THR 144          HG23      THR 144  22.401  26.954   4.078
 1136    H    ALA 145           HN       ALA 145  23.119  22.569   2.472
 1137    HA   ALA 145           HA       ALA 145  20.826  23.911   1.204
 1138    HB1  ALA 145           HB1      ALA 145  21.369  22.719  -0.842
 1139    HB2  ALA 145           HB2      ALA 145  22.719  21.918  -0.039
 1140    HB3  ALA 145           HB3      ALA 145  22.755  23.662  -0.297
 1141    H    THR 146           HN       THR 146  20.051  22.711   3.348
 1142    HA   THR 146           HA       THR 146  19.602  19.905   3.117
 1143    HB   THR 146           HB       THR 146  17.927  20.391   5.016
 1144    HG1  THR 146           HG1      THR 146  17.570  22.551   4.859
 1145   HG21  THR 146          HG21      THR 146  19.737  20.633   6.648
 1146   HG22  THR 146          HG22      THR 146  20.838  21.127   5.361
 1147   HG23  THR 146          HG23      THR 146  20.178  19.490   5.379
 1148    H    GLY 147           HN       GLY 147  18.166  22.561   1.639
 1149    HA2  GLY 147           HA2      GLY 147  15.592  21.200   1.285
 1150    HA3  GLY 147           HA1      GLY 147  15.948  22.863   0.840
 1151    H    ALA 148           HN       ALA 148  18.551  21.152  -0.132
 1152    HA   ALA 148           HA       ALA 148  17.458  20.852  -2.845
 1153    HB1  ALA 148           HB1      ALA 148  19.728  21.207  -3.659
 1154    HB2  ALA 148           HB2      ALA 148  20.313  21.339  -2.001
 1155    HB3  ALA 148           HB3      ALA 148  19.205  22.551  -2.646
 1156    H    THR 149           HN       THR 149  18.385  19.097  -4.150
 1157    HA   THR 149           HA       THR 149  19.390  16.831  -2.590
 1158    HB   THR 149           HB       THR 149  17.757  15.347  -3.849
 1159    HG1  THR 149           HG1      THR 149  16.001  17.503  -4.059
 1160   HG21  THR 149          HG21      THR 149  16.631  17.311  -1.849
 1161   HG22  THR 149          HG22      THR 149  17.480  15.811  -1.472
 1162   HG23  THR 149          HG23      THR 149  15.910  15.759  -2.274
 1163    H    LYS 150           HN       LYS 150  19.869  14.958  -4.096
 1164    HA   LYS 150           HA       LYS 150  20.612  15.771  -6.807
 1165    HB2  LYS 150           HB2      LYS 150  22.783  14.667  -6.585
 1166    HB3  LYS 150           HB1      LYS 150  22.629  15.973  -5.419
 1167    HG2  LYS 150           HG2      LYS 150  22.094  14.338  -3.672
 1168    HG3  LYS 150           HG1      LYS 150  22.301  13.036  -4.848
 1169    HD2  LYS 150           HD2      LYS 150  24.620  13.712  -5.193
 1170    HD3  LYS 150           HD1      LYS 150  24.413  15.026  -4.037
 1171    HE2  LYS 150           HE2      LYS 150  23.946  13.400  -2.274
 1172    HE3  LYS 150           HE1      LYS 150  24.154  12.085  -3.431
 1173    HZ1  LYS 150           HZ1      LYS 150  26.253  14.043  -2.671
 1174    HZ2  LYS 150           HZ2      LYS 150  26.444  12.746  -3.740
 1175    HZ3  LYS 150           HZ3      LYS 150  26.144  12.453  -2.099
 1176    H    SER 151           HN       SER 151  20.919  13.911  -8.220
 1177    HA   SER 151           HA       SER 151  18.904  11.959  -7.788
 1178    HB2  SER 151           HB2      SER 151  19.895  11.062 -10.001
 1179    HB3  SER 151           HB1      SER 151  19.160  12.665 -10.005
 1180    HG   SER 151           HG       SER 151  21.928  12.012  -9.918
 1181    H    ALA 152           HN       ALA 152  19.031   9.951  -7.067
 1182    HA   ALA 152           HA       ALA 152  21.636   8.602  -6.905
 1183    HB1  ALA 152           HB1      ALA 152  21.091   7.842  -4.621
 1184    HB2  ALA 152           HB2      ALA 152  19.674   8.889  -4.632
 1185    HB3  ALA 152           HB3      ALA 152  21.292   9.590  -4.718
 1186    H    THR 153           HN       THR 153  21.405   6.245  -6.567
 1187    HA   THR 153           HA       THR 153  18.695   5.235  -7.116
 1188    HB   THR 153           HB       THR 153  21.210   4.080  -8.339
 1189    HG1  THR 153           HG1      THR 153  19.925   6.250  -9.063
 1190   HG21  THR 153          HG21      THR 153  18.285   3.515  -8.857
 1191   HG22  THR 153          HG22      THR 153  19.395   2.460  -7.980
 1192   HG23  THR 153          HG23      THR 153  19.646   2.774  -9.698
 1193    H    VAL 154           HN       VAL 154  18.056   3.617  -5.793
 1194    HA   VAL 154           HA       VAL 154  19.986   2.779  -3.780
 1195    HB   VAL 154           HB       VAL 154  17.945   1.784  -2.631
 1196   HG11  VAL 154          HG11      VAL 154  18.945   3.865  -1.904
 1197   HG12  VAL 154          HG12      VAL 154  17.187   3.995  -1.829
 1198   HG13  VAL 154          HG13      VAL 154  18.072   4.753  -3.152
 1199   HG21  VAL 154          HG21      VAL 154  16.524   3.432  -4.723
 1200   HG22  VAL 154          HG22      VAL 154  15.772   2.684  -3.314
 1201   HG23  VAL 154          HG23      VAL 154  16.479   1.675  -4.576
 1202    H    GLU 155           HN       GLU 155  19.489   0.462  -2.896
 1203    HA   GLU 155           HA       GLU 155  20.528  -1.318  -4.758
 1204    HB2  GLU 155           HB2      GLU 155  20.075  -3.052  -3.052
 1205    HB3  GLU 155           HB1      GLU 155  20.851  -1.620  -2.391
 1206    HG2  GLU 155           HG2      GLU 155  18.672  -0.830  -1.587
 1207    HG3  GLU 155           HG1      GLU 155  17.928  -2.307  -2.200
 1208    H    THR 156           HN       THR 156  17.210  -0.538  -4.085
 1209    HA   THR 156           HA       THR 156  16.078  -2.931  -5.125
 1210    HB   THR 156           HB       THR 156  13.951  -1.626  -5.185
 1211    HG1  THR 156           HG1      THR 156  13.978   0.507  -4.492
 1212   HG21  THR 156          HG21      THR 156  14.607  -2.800  -3.150
 1213   HG22  THR 156          HG22      THR 156  13.792  -1.284  -2.755
 1214   HG23  THR 156          HG23      THR 156  15.549  -1.401  -2.633
 1215    H    GLY 157           HN       GLY 157  17.508  -0.222  -6.601
 1216    HA2  GLY 157           HA2      GLY 157  17.887  -0.045  -8.934
 1217    HA3  GLY 157           HA1      GLY 157  16.464  -1.038  -9.216
 1218    H    TYR 158           HN       TYR 158  15.668   1.095  -6.880
 1219    HA   TYR 158           HA       TYR 158  14.120   2.721  -8.696
 1220    HB2  TYR 158           HB2      TYR 158  13.091   1.845  -6.653
 1221    HB3  TYR 158           HB1      TYR 158  14.287   2.691  -5.679
 1222    HD1  TYR 158           HD1      TYR 158  11.595   3.336  -8.179
 1223    HD2  TYR 158           HD2      TYR 158  13.806   4.802  -4.851
 1224    HE1  TYR 158           HE1      TYR 158  10.105   5.288  -8.052
 1225    HE2  TYR 158           HE2      TYR 158  12.321   6.754  -4.719
 1226    HH   TYR 158           HH       TYR 158   9.376   6.937  -6.398
 1227    H    THR 159           HN       THR 159  14.435   4.844  -9.150
 1228    HA   THR 159           HA       THR 159  16.879   6.074  -8.128
 1229    HB   THR 159           HB       THR 159  16.561   6.012 -10.589
 1230    HG1  THR 159           HG1      THR 159  17.844   7.676 -10.127
 1231   HG21  THR 159          HG21      THR 159  14.126   6.243 -10.672
 1232   HG22  THR 159          HG22      THR 159  14.916   7.481 -11.647
 1233   HG23  THR 159          HG23      THR 159  14.256   7.893 -10.064
 1234    H    LEU 160           HN       LEU 160  16.877   7.916  -6.906
 1235    HA   LEU 160           HA       LEU 160  14.386   9.314  -6.393
 1236    HB2  LEU 160           HB2      LEU 160  14.231   8.885  -4.104
 1237    HB3  LEU 160           HB1      LEU 160  14.549   7.316  -4.808
 1238    HG   LEU 160           HG       LEU 160  16.646   9.035  -3.477
 1239   HD11  LEU 160          HD11      LEU 160  15.124   6.663  -2.411
 1240   HD12  LEU 160          HD12      LEU 160  14.964   8.335  -1.870
 1241   HD13  LEU 160          HD13      LEU 160  16.477   7.464  -1.610
 1242   HD21  LEU 160          HD21      LEU 160  17.930   6.910  -3.434
 1243   HD22  LEU 160          HD22      LEU 160  17.645   7.525  -5.059
 1244   HD23  LEU 160          HD23      LEU 160  16.683   6.178  -4.446
 1245    H    ASN 161           HN       ASN 161  14.761  11.193  -4.916
 1246    HA   ASN 161           HA       ASN 161  17.385  12.354  -5.560
 1247    HB2  ASN 161           HB2      ASN 161  14.785  13.719  -4.814
 1248    HB3  ASN 161           HB1      ASN 161  16.294  14.544  -5.194
 1249   HD21  ASN 161          HD21      ASN 161  17.023  14.589  -7.323
 1250   HD22  ASN 161          HD22      ASN 161  15.994  14.188  -8.653
 1251    H    VAL 162           HN       VAL 162  18.795  12.277  -3.970
 1252    HA   VAL 162           HA       VAL 162  17.843  12.281  -1.189
 1253    HB   VAL 162           HB       VAL 162  20.015  11.251  -0.625
 1254   HG11  VAL 162          HG11      VAL 162  19.589   9.063  -1.643
 1255   HG12  VAL 162          HG12      VAL 162  18.500   9.822  -2.805
 1256   HG13  VAL 162          HG13      VAL 162  18.099   9.826  -1.088
 1257   HG21  VAL 162          HG21      VAL 162  20.474  11.243  -3.608
 1258   HG22  VAL 162          HG22      VAL 162  21.485  10.432  -2.412
 1259   HG23  VAL 162          HG23      VAL 162  21.368  12.192  -2.422
 1260    HA   PRO 163           HA       PRO 163  19.730  16.239  -0.387
 1261    HB2  PRO 163           HB2      PRO 163  20.570  15.045   2.199
 1262    HB3  PRO 163           HB1      PRO 163  19.611  16.496   1.891
 1263    HG2  PRO 163           HG2      PRO 163  18.462  14.272   2.801
 1264    HG3  PRO 163           HG1      PRO 163  17.646  15.301   1.609
 1265    HD2  PRO 163           HD2      PRO 163  19.077  12.704   1.211
 1266    HD3  PRO 163           HD1      PRO 163  17.580  13.297   0.461
 1267    H    LEU 164           HN       LEU 164  21.834  17.195  -0.007
 1268    HA   LEU 164           HA       LEU 164  23.708  15.804  -1.616
 1269    HB2  LEU 164           HB2      LEU 164  24.021  18.384  -0.086
 1270    HB3  LEU 164           HB1      LEU 164  25.167  17.778  -1.263
 1271    HG   LEU 164           HG       LEU 164  24.002  19.334  -2.492
 1272   HD11  LEU 164          HD11      LEU 164  23.931  17.163  -3.629
 1273   HD12  LEU 164          HD12      LEU 164  22.568  18.196  -4.056
 1274   HD13  LEU 164          HD13      LEU 164  22.341  16.862  -2.927
 1275   HD21  LEU 164          HD21      LEU 164  22.378  19.871  -0.749
 1276   HD22  LEU 164          HD22      LEU 164  21.435  18.450  -1.197
 1277   HD23  LEU 164          HD23      LEU 164  21.630  19.775  -2.343
 1278    H    PHE 165           HN       PHE 165  23.259  15.802   1.771
 1279    HA   PHE 165           HA       PHE 165  26.035  15.347   2.405
 1280    HB2  PHE 165           HB2      PHE 165  25.244  14.918   4.709
 1281    HB3  PHE 165           HB1      PHE 165  24.690  16.459   4.073
 1282    HD1  PHE 165           HD1      PHE 165  23.596  12.948   4.652
 1283    HD2  PHE 165           HD2      PHE 165  22.442  17.011   4.126
 1284    HE1  PHE 165           HE1      PHE 165  21.290  12.367   5.269
 1285    HE2  PHE 165           HE2      PHE 165  20.132  16.435   4.739
 1286    HZ   PHE 165           HZ       PHE 165  19.553  14.113   5.312
 1287    H    VAL 166           HN       VAL 166  23.575  13.468   1.167
 1288    HA   VAL 166           HA       VAL 166  24.318  10.963   2.355
 1289    HB   VAL 166           HB       VAL 166  22.690  11.564  -0.124
 1290   HG11  VAL 166          HG11      VAL 166  21.917   9.223   0.076
 1291   HG12  VAL 166          HG12      VAL 166  23.124   8.964   1.338
 1292   HG13  VAL 166          HG13      VAL 166  23.636   9.347  -0.303
 1293   HG21  VAL 166          HG21      VAL 166  21.866  10.811   2.678
 1294   HG22  VAL 166          HG22      VAL 166  20.775  10.978   1.304
 1295   HG23  VAL 166          HG23      VAL 166  21.650  12.383   1.909
 1296    H    ASN 167           HN       ASN 167  25.817   9.527   1.664
 1297    HA   ASN 167           HA       ASN 167  27.149  10.119  -0.881
 1298    HB2  ASN 167           HB2      ASN 167  28.336   9.299   1.751
 1299    HB3  ASN 167           HB1      ASN 167  29.173   8.946   0.245
 1300   HD21  ASN 167          HD21      ASN 167  29.996  10.660   2.417
 1301   HD22  ASN 167          HD22      ASN 167  30.217  12.235   1.738
 1302    H    GLU 168           HN       GLU 168  28.289   8.149  -1.770
 1303    HA   GLU 168           HA       GLU 168  26.328   6.216  -2.296
 1304    HB2  GLU 168           HB2      GLU 168  28.299   6.918  -3.749
 1305    HB3  GLU 168           HB1      GLU 168  29.290   5.869  -2.747
 1306    HG2  GLU 168           HG2      GLU 168  27.990   3.947  -3.409
 1307    HG3  GLU 168           HG1      GLU 168  26.899   4.975  -4.337
 1308    H    GLY 169           HN       GLY 169  26.269   3.980  -1.796
 1309    HA2  GLY 169           HA2      GLY 169  26.432   2.135  -0.451
 1310    HA3  GLY 169           HA1      GLY 169  28.010   2.715   0.034
 1311    H    ASP 170           HN       ASP 170  25.816   5.135   0.743
 1312    HA   ASP 170           HA       ASP 170  25.692   4.429   3.528
 1313    HB2  ASP 170           HB2      ASP 170  24.652   6.722   1.911
 1314    HB3  ASP 170           HB1      ASP 170  23.987   6.435   3.513
 1315    H    VAL 171           HN       VAL 171  23.863   3.865   4.722
 1316    HA   VAL 171           HA       VAL 171  21.765   2.579   3.144
 1317    HB   VAL 171           HB       VAL 171  22.319   2.416   6.117
 1318   HG11  VAL 171          HG11      VAL 171  20.425   0.822   4.389
 1319   HG12  VAL 171          HG12      VAL 171  19.966   2.032   5.587
 1320   HG13  VAL 171          HG13      VAL 171  20.750   0.537   6.098
 1321   HG21  VAL 171          HG21      VAL 171  22.901   0.454   3.896
 1322   HG22  VAL 171          HG22      VAL 171  23.155   0.167   5.617
 1323   HG23  VAL 171          HG23      VAL 171  24.094   1.405   4.782
 1324    H    LEU 172           HN       LEU 172  20.089   3.775   2.659
 1325    HA   LEU 172           HA       LEU 172  19.394   6.084   4.306
 1326    HB2  LEU 172           HB2      LEU 172  18.324   5.219   1.620
 1327    HB3  LEU 172           HB1      LEU 172  18.016   6.753   2.411
 1328    HG   LEU 172           HG       LEU 172  20.726   5.822   1.464
 1329   HD11  LEU 172          HD11      LEU 172  19.216   6.222  -0.404
 1330   HD12  LEU 172          HD12      LEU 172  20.450   7.479  -0.307
 1331   HD13  LEU 172          HD13      LEU 172  18.809   7.807   0.252
 1332   HD21  LEU 172          HD21      LEU 172  19.777   8.481   2.523
 1333   HD22  LEU 172          HD22      LEU 172  21.384   8.140   1.883
 1334   HD23  LEU 172          HD23      LEU 172  20.836   7.345   3.356
 1335    H    ILE 173           HN       ILE 173  17.771   5.950   5.751
 1336    HA   ILE 173           HA       ILE 173  15.846   3.782   5.472
 1337    HB   ILE 173           HB       ILE 173  16.011   5.870   7.652
 1338   HG12  ILE 173          HG12      ILE 173  17.063   3.030   7.632
 1339   HG13  ILE 173          HG11      ILE 173  18.059   4.477   7.511
 1340   HG21  ILE 173          HG21      ILE 173  14.622   4.296   8.925
 1341   HG22  ILE 173          HG22      ILE 173  14.555   3.226   7.524
 1342   HG23  ILE 173          HG23      ILE 173  13.813   4.825   7.449
 1343   HD11  ILE 173          HD11      ILE 173  16.338   3.710   9.857
 1344   HD12  ILE 173          HD12      ILE 173  17.338   5.158   9.738
 1345   HD13  ILE 173          HD13      ILE 173  18.093   3.564   9.757
 1346    H    ILE 174           HN       ILE 174  13.857   4.068   4.642
 1347    HA   ILE 174           HA       ILE 174  12.925   6.834   4.216
 1348    HB   ILE 174           HB       ILE 174  12.505   4.506   2.321
 1349   HG12  ILE 174          HG12      ILE 174  14.857   5.270   2.316
 1350   HG13  ILE 174          HG11      ILE 174  14.045   5.619   0.795
 1351   HG21  ILE 174          HG21      ILE 174  10.683   6.127   2.294
 1352   HG22  ILE 174          HG22      ILE 174  11.604   6.187   0.792
 1353   HG23  ILE 174          HG23      ILE 174  11.836   7.434   2.017
 1354   HD11  ILE 174          HD11      ILE 174  13.758   7.945   1.494
 1355   HD12  ILE 174          HD12      ILE 174  15.454   7.465   1.469
 1356   HD13  ILE 174          HD13      ILE 174  14.596   7.586   3.004
 1357    H    ASN 175           HN       ASN 175  10.810   7.217   4.714
 1358    HA   ASN 175           HA       ASN 175   9.285   5.054   5.918
 1359    HB2  ASN 175           HB2      ASN 175   9.320   7.304   6.975
 1360    HB3  ASN 175           HB1      ASN 175   8.559   7.969   5.535
 1361   HD21  ASN 175          HD21      ASN 175   8.112   6.070   8.392
 1362   HD22  ASN 175          HD22      ASN 175   6.384   6.006   8.326
 1363    H    THR 176           HN       THR 176   8.706   3.725   4.221
 1364    HA   THR 176           HA       THR 176   7.700   4.791   1.751
 1365    HB   THR 176           HB       THR 176   8.924   2.652   1.781
 1366    HG1  THR 176           HG1      THR 176   7.042   1.434   0.674
 1367   HG21  THR 176          HG21      THR 176   6.500   1.581   3.230
 1368   HG22  THR 176          HG22      THR 176   8.117   1.766   3.910
 1369   HG23  THR 176          HG23      THR 176   7.838   0.615   2.602
 1370    H    GLY 177           HN       GLY 177   5.586   4.588   0.931
 1371    HA2  GLY 177           HA2      GLY 177   3.232   4.160   1.230
 1372    HA3  GLY 177           HA1      GLY 177   3.485   4.260   2.970
 1373    H    ASP 178           HN       ASP 178   5.038   6.545   3.091
 1374    HA   ASP 178           HA       ASP 178   3.187   8.621   2.147
 1375    HB2  ASP 178           HB2      ASP 178   3.346   8.599   4.552
 1376    HB3  ASP 178           HB1      ASP 178   5.101   8.611   4.489
 1377    H    GLY 179           HN       GLY 179   6.604   7.856   2.627
 1378    HA2  GLY 179           HA2      GLY 179   8.176   8.215   0.845
 1379    HA3  GLY 179           HA1      GLY 179   7.225   9.606   0.347
 1380    H    SER 180           HN       SER 180   7.545   9.437   3.697
 1381    HA   SER 180           HA       SER 180   9.057  11.807   3.865
 1382    HB2  SER 180           HB2      SER 180   8.721   9.783   6.087
 1383    HB3  SER 180           HB1      SER 180   8.970  11.517   6.238
 1384    HG   SER 180           HG       SER 180   6.780  11.104   4.759
 1385    H    TYR 181           HN       TYR 181  11.239  12.128   3.992
 1386    HA   TYR 181           HA       TYR 181  12.948   9.828   3.640
 1387    HB2  TYR 181           HB2      TYR 181  13.483  11.738   2.284
 1388    HB3  TYR 181           HB1      TYR 181  13.519  12.797   3.688
 1389    HD1  TYR 181           HD1      TYR 181  15.290   9.961   2.066
 1390    HD2  TYR 181           HD2      TYR 181  15.502  13.118   4.906
 1391    HE1  TYR 181           HE1      TYR 181  17.708   9.573   2.311
 1392    HE2  TYR 181           HE2      TYR 181  17.915  12.740   5.160
 1393    HH   TYR 181           HH       TYR 181  19.529  10.915   4.837
 1394    H    ILE 182           HN       ILE 182  13.992   8.818   5.158
 1395    HA   ILE 182           HA       ILE 182  14.207  10.027   7.828
 1396    HB   ILE 182           HB       ILE 182  14.557   7.097   7.204
 1397   HG12  ILE 182          HG12      ILE 182  12.327   7.661   6.430
 1398   HG13  ILE 182          HG11      ILE 182  12.209   6.761   7.936
 1399   HG21  ILE 182          HG21      ILE 182  13.874   8.580   9.737
 1400   HG22  ILE 182          HG22      ILE 182  15.420   7.828   9.347
 1401   HG23  ILE 182          HG23      ILE 182  13.986   6.828   9.583
 1402   HD11  ILE 182          HD11      ILE 182  10.617   8.579   7.879
 1403   HD12  ILE 182          HD12      ILE 182  11.919   9.740   7.620
 1404   HD13  ILE 182          HD13      ILE 182  11.818   8.853   9.143
 1405    H    SER 183           HN       SER 183  16.269   9.507   8.980
 1406    HA   SER 183           HA       SER 183  18.361  10.421   7.271
 1407    HB2  SER 183           HB2      SER 183  19.669  10.301   9.490
 1408    HB3  SER 183           HB1      SER 183  18.299  11.408   9.402
 1409    HG   SER 183           HG       SER 183  18.201   8.769  10.467
 1410    H    ARG 184           HN       ARG 184  20.630   9.504   7.623
 1411    HA   ARG 184           HA       ARG 184  20.627   6.897   6.486
 1412    HB2  ARG 184           HB2      ARG 184  22.949   8.547   7.501
 1413    HB3  ARG 184           HB1      ARG 184  23.073   7.125   6.478
 1414    HG2  ARG 184           HG2      ARG 184  21.842   8.311   4.714
 1415    HG3  ARG 184           HG1      ARG 184  21.783   9.744   5.740
 1416    HD2  ARG 184           HD2      ARG 184  24.313   8.395   4.797
 1417    HD3  ARG 184           HD1      ARG 184  23.592   9.816   4.045
 1418    HE   ARG 184           HE       ARG 184  23.910  10.538   6.654
 1419   HH11  ARG 184          HH11      ARG 184  26.091   9.261   4.211
 1420   HH12  ARG 184          HH12      ARG 184  27.467  10.113   4.836
 1421   HH21  ARG 184          HH21      ARG 184  25.728  11.645   7.460
 1422   HH22  ARG 184          HH22      ARG 184  27.261  11.476   6.669
 1423    H    GLY 185           HN       GLY 185  21.359   4.963   7.320
 1424    HA2  GLY 185           HA2      GLY 185  21.139   4.688  10.192
 1425    HA3  GLY 185           HA1      GLY 185  21.337   3.386   9.027
  Start of MODEL    9
    1    H1   MET   1           HT1      MET   1 -24.292  -6.768   4.613
    2    H2   MET   1           HT2      MET   1 -25.582  -7.854   4.537
    3    H3   MET   1           HT3      MET   1 -25.046  -7.282   6.034
    4    HA   MET   1           HA       MET   1 -26.267  -5.630   3.910
    5    HB2  MET   1           HB2      MET   1 -27.962  -7.033   4.876
    6    HB3  MET   1           HB1      MET   1 -27.377  -6.716   6.503
    7    HG2  MET   1           HG2      MET   1 -28.001  -4.331   6.197
    8    HG3  MET   1           HG1      MET   1 -28.722  -4.765   4.649
    9    HE1  MET   1           HE1      MET   1 -31.769  -4.066   7.081
   10    HE2  MET   1           HE2      MET   1 -30.950  -3.553   5.606
   11    HE3  MET   1           HE3      MET   1 -30.189  -3.290   7.173
   12    H    ILE   2           HN       ILE   2 -25.355  -3.680   3.994
   13    HA   ILE   2           HA       ILE   2 -25.021  -2.456   6.658
   14    HB   ILE   2           HB       ILE   2 -23.572  -1.790   4.090
   15   HG12  ILE   2          HG12      ILE   2 -22.715  -3.806   5.181
   16   HG13  ILE   2          HG11      ILE   2 -21.553  -2.491   5.304
   17   HG21  ILE   2          HG21      ILE   2 -22.315  -0.150   5.416
   18   HG22  ILE   2          HG22      ILE   2 -23.361  -0.481   6.796
   19   HG23  ILE   2          HG23      ILE   2 -24.033   0.240   5.333
   20   HD11  ILE   2          HD11      ILE   2 -21.656  -3.706   7.379
   21   HD12  ILE   2          HD12      ILE   2 -23.399  -3.457   7.474
   22   HD13  ILE   2          HD13      ILE   2 -22.303  -2.081   7.610
   23    H    SER   3           HN       SER   3 -26.175  -0.632   7.054
   24    HA   SER   3           HA       SER   3 -28.119   0.174   5.049
   25    HB2  SER   3           HB2      SER   3 -27.780   1.253   7.857
   26    HB3  SER   3           HB1      SER   3 -29.223   1.319   6.845
   27    HG   SER   3           HG       SER   3 -29.645  -0.743   7.266
   28    H    VAL   4           HN       VAL   4 -28.363   2.360   4.357
   29    HA   VAL   4           HA       VAL   4 -25.904   3.650   3.772
   30    HB   VAL   4           HB       VAL   4 -27.222   5.391   2.703
   31   HG11  VAL   4          HG11      VAL   4 -28.475   4.002   1.107
   32   HG12  VAL   4          HG12      VAL   4 -28.309   2.627   2.200
   33   HG13  VAL   4          HG13      VAL   4 -26.878   3.346   1.464
   34   HG21  VAL   4          HG21      VAL   4 -29.646   4.029   3.875
   35   HG22  VAL   4          HG22      VAL   4 -29.646   5.418   2.787
   36   HG23  VAL   4          HG23      VAL   4 -28.981   5.571   4.412
   37    H    ASN   5           HN       ASN   5 -27.562   3.630   6.599
   38    HA   ASN   5           HA       ASN   5 -26.954   6.408   7.278
   39    HB2  ASN   5           HB2      ASN   5 -28.475   4.278   8.803
   40    HB3  ASN   5           HB1      ASN   5 -28.223   5.928   9.366
   41   HD21  ASN   5          HD21      ASN   5 -30.699   4.474   8.746
   42   HD22  ASN   5          HD22      ASN   5 -31.519   5.434   7.562
   43    H    ASP   6           HN       ASP   6 -25.342   3.602   7.170
   44    HA   ASP   6           HA       ASP   6 -23.805   4.165   9.621
   45    HB2  ASP   6           HB2      ASP   6 -24.179   1.489   8.248
   46    HB3  ASP   6           HB1      ASP   6 -23.195   1.780   9.676
   47    H    PHE   7           HN       PHE   7 -22.409   5.574   8.556
   48    HA   PHE   7           HA       PHE   7 -20.408   4.210   6.910
   49    HB2  PHE   7           HB2      PHE   7 -21.741   6.847   6.323
   50    HB3  PHE   7           HB1      PHE   7 -20.132   6.494   5.708
   51    HD1  PHE   7           HD1      PHE   7 -23.627   6.160   5.151
   52    HD2  PHE   7           HD2      PHE   7 -19.863   4.358   4.305
   53    HE1  PHE   7           HE1      PHE   7 -24.616   4.988   3.233
   54    HE2  PHE   7           HE2      PHE   7 -20.853   3.184   2.386
   55    HZ   PHE   7           HZ       PHE   7 -23.233   3.497   1.851
   56    H    LYS   8           HN       LYS   8 -18.285   5.114   7.066
   57    HA   LYS   8           HA       LYS   8 -17.874   6.825   9.422
   58    HB2  LYS   8           HB2      LYS   8 -16.379   4.287   8.730
   59    HB3  LYS   8           HB1      LYS   8 -15.871   5.425   9.968
   60    HG2  LYS   8           HG2      LYS   8 -17.873   4.985  11.246
   61    HG3  LYS   8           HG1      LYS   8 -18.479   3.920   9.976
   62    HD2  LYS   8           HD2      LYS   8 -16.628   2.396  10.330
   63    HD3  LYS   8           HD1      LYS   8 -15.926   3.485  11.528
   64    HE2  LYS   8           HE2      LYS   8 -18.619   2.148  11.763
   65    HE3  LYS   8           HE1      LYS   8 -17.141   1.583  12.539
   66    HZ1  LYS   8           HZ1      LYS   8 -18.448   4.205  13.013
   67    HZ2  LYS   8           HZ2      LYS   8 -17.029   3.670  13.752
   68    HZ3  LYS   8           HZ3      LYS   8 -18.490   2.878  14.058
   69    H    THR   9           HN       THR   9 -15.444   7.513   9.465
   70    HA   THR   9           HA       THR   9 -14.824   8.871   7.063
   71    HB   THR   9           HB       THR   9 -14.099   9.600   9.364
   72    HG1  THR   9           HG1      THR   9 -12.273   9.378   7.201
   73   HG21  THR   9          HG21      THR   9 -11.966   7.495   8.988
   74   HG22  THR   9          HG22      THR   9 -13.298   7.396  10.137
   75   HG23  THR   9          HG23      THR   9 -12.075   8.653  10.313
   76    H    GLY  10           HN       GLY  10 -14.388   5.680   8.011
   77    HA2  GLY  10           HA2      GLY  10 -13.137   5.146   5.458
   78    HA3  GLY  10           HA1      GLY  10 -12.277   4.543   6.870
   79    H    LEU  11           HN       LEU  11 -14.519   3.788   4.579
   80    HA   LEU  11           HA       LEU  11 -15.387   1.422   6.053
   81    HB2  LEU  11           HB2      LEU  11 -17.042   3.570   5.941
   82    HB3  LEU  11           HB1      LEU  11 -17.483   2.769   4.451
   83    HG   LEU  11           HG       LEU  11 -18.992   2.162   6.274
   84   HD11  LEU  11          HD11      LEU  11 -17.246  -0.132   5.406
   85   HD12  LEU  11          HD12      LEU  11 -18.619   0.526   4.521
   86   HD13  LEU  11          HD13      LEU  11 -18.871  -0.267   6.074
   87   HD21  LEU  11          HD21      LEU  11 -16.564   0.975   7.604
   88   HD22  LEU  11          HD22      LEU  11 -18.228   0.858   8.171
   89   HD23  LEU  11          HD23      LEU  11 -17.420   2.424   8.129
   90    H    THR  12           HN       THR  12 -15.426  -0.359   4.739
   91    HA   THR  12           HA       THR  12 -14.707   0.118   1.949
   92    HB   THR  12           HB       THR  12 -14.168  -2.386   2.026
   93    HG1  THR  12           HG1      THR  12 -14.666  -3.327   3.846
   94   HG21  THR  12          HG21      THR  12 -12.421  -0.768   1.925
   95   HG22  THR  12          HG22      THR  12 -11.995  -1.936   3.175
   96   HG23  THR  12          HG23      THR  12 -12.631  -0.357   3.625
   97    H    ILE  13           HN       ILE  13 -16.076  -0.188   0.364
   98    HA   ILE  13           HA       ILE  13 -18.400  -1.947   0.792
   99    HB   ILE  13           HB       ILE  13 -18.379   0.754  -0.567
  100   HG12  ILE  13          HG12      ILE  13 -20.444   0.957   1.045
  101   HG13  ILE  13          HG11      ILE  13 -19.640  -0.343   1.916
  102   HG21  ILE  13          HG21      ILE  13 -19.646  -0.761  -1.961
  103   HG22  ILE  13          HG22      ILE  13 -20.732   0.363  -1.143
  104   HG23  ILE  13          HG23      ILE  13 -20.585  -1.297  -0.567
  105   HD11  ILE  13          HD11      ILE  13 -18.460   2.345   1.280
  106   HD12  ILE  13          HD12      ILE  13 -17.658   1.047   2.167
  107   HD13  ILE  13          HD13      ILE  13 -19.089   1.828   2.844
  108    H    SER  14           HN       SER  14 -18.973  -3.261  -0.922
  109    HA   SER  14           HA       SER  14 -17.167  -3.161  -3.242
  110    HB2  SER  14           HB2      SER  14 -17.167  -5.279  -1.909
  111    HB3  SER  14           HB1      SER  14 -18.873  -5.481  -2.296
  112    HG   SER  14           HG       SER  14 -18.040  -5.281  -4.591
  113    H    VAL  15           HN       VAL  15 -18.070  -2.013  -4.805
  114    HA   VAL  15           HA       VAL  15 -20.749  -2.646  -5.708
  115    HB   VAL  15           HB       VAL  15 -21.132  -0.862  -4.053
  116   HG11  VAL  15          HG11      VAL  15 -19.023   0.272  -4.090
  117   HG12  VAL  15          HG12      VAL  15 -20.300   1.421  -4.491
  118   HG13  VAL  15          HG13      VAL  15 -19.270   0.766  -5.765
  119   HG21  VAL  15          HG21      VAL  15 -22.630  -0.974  -5.942
  120   HG22  VAL  15          HG22      VAL  15 -21.538   0.018  -6.907
  121   HG23  VAL  15          HG23      VAL  15 -22.353   0.712  -5.505
  122    H    ASP  16           HN       ASP  16 -21.104  -1.986  -7.890
  123    HA   ASP  16           HA       ASP  16 -20.475  -1.804 -10.061
  124    HB2  ASP  16           HB2      ASP  16 -18.622   0.165  -8.766
  125    HB3  ASP  16           HB1      ASP  16 -18.379  -0.254 -10.457
  126    H    ASN  17           HN       ASN  17 -19.335  -3.852  -8.258
  127    HA   ASN  17           HA       ASN  17 -17.917  -5.616  -8.344
  128    HB2  ASN  17           HB2      ASN  17 -18.641  -5.642 -10.740
  129    HB3  ASN  17           HB1      ASN  17 -17.223  -4.681 -11.130
  130   HD21  ASN  17          HD21      ASN  17 -17.144  -7.201  -8.702
  131   HD22  ASN  17          HD22      ASN  17 -16.172  -8.301  -9.614
  132    H    ALA  18           HN       ALA  18 -17.042  -2.868  -7.558
  133    HA   ALA  18           HA       ALA  18 -14.168  -3.456  -7.584
  134    HB1  ALA  18           HB1      ALA  18 -13.722  -1.029  -7.557
  135    HB2  ALA  18           HB2      ALA  18 -15.451  -0.733  -7.775
  136    HB3  ALA  18           HB3      ALA  18 -14.530  -1.552  -9.037
  137    H    ILE  19           HN       ILE  19 -13.029  -2.629  -5.706
  138    HA   ILE  19           HA       ILE  19 -14.787  -2.608  -3.354
  139    HB   ILE  19           HB       ILE  19 -12.807  -3.271  -2.043
  140   HG12  ILE  19          HG12      ILE  19 -11.472  -3.511  -4.750
  141   HG13  ILE  19          HG11      ILE  19 -11.063  -2.334  -3.508
  142   HG21  ILE  19          HG21      ILE  19 -14.353  -4.947  -2.848
  143   HG22  ILE  19          HG22      ILE  19 -12.708  -5.580  -2.882
  144   HG23  ILE  19          HG23      ILE  19 -13.480  -5.052  -4.377
  145   HD11  ILE  19          HD11      ILE  19 -10.402  -4.172  -2.023
  146   HD12  ILE  19          HD12      ILE  19  -9.467  -4.133  -3.517
  147   HD13  ILE  19          HD13      ILE  19 -10.757  -5.317  -3.316
  148    H    TRP  20           HN       TRP  20 -14.912  -0.877  -2.118
  149    HA   TRP  20           HA       TRP  20 -13.183   1.397  -2.826
  150    HB2  TRP  20           HB2      TRP  20 -16.123   1.421  -2.129
  151    HB3  TRP  20           HB1      TRP  20 -15.160   2.826  -2.541
  152    HD1  TRP  20           HD1      TRP  20 -16.890  -0.168  -4.074
  153    HE1  TRP  20           HE1      TRP  20 -17.014   0.127  -6.623
  154    HE3  TRP  20           HE3      TRP  20 -13.915   3.950  -4.523
  155    HZ2  TRP  20           HZ2      TRP  20 -15.967   1.890  -8.572
  156    HZ3  TRP  20           HZ3      TRP  20 -13.521   4.880  -6.764
  157    HH2  TRP  20           HH2      TRP  20 -14.526   3.870  -8.745
  158    H    LYS  21           HN       LYS  21 -13.005   3.068  -1.193
  159    HA   LYS  21           HA       LYS  21 -13.695   2.240   1.527
  160    HB2  LYS  21           HB2      LYS  21 -11.348   1.635   1.211
  161    HB3  LYS  21           HB1      LYS  21 -10.991   3.272   0.671
  162    HG2  LYS  21           HG2      LYS  21 -11.464   4.164   2.843
  163    HG3  LYS  21           HG1      LYS  21 -12.055   2.601   3.408
  164    HD2  LYS  21           HD2      LYS  21  -9.226   3.163   2.524
  165    HD3  LYS  21           HD1      LYS  21  -9.770   3.119   4.202
  166    HE2  LYS  21           HE2      LYS  21 -10.537   0.773   3.799
  167    HE3  LYS  21           HE1      LYS  21  -9.762   0.849   2.219
  168    HZ1  LYS  21           HZ1      LYS  21  -8.356  -0.203   3.897
  169    HZ2  LYS  21           HZ2      LYS  21  -8.372   1.215   4.816
  170    HZ3  LYS  21           HZ3      LYS  21  -7.644   1.206   3.291
  171    H    VAL  22           HN       VAL  22 -15.072   3.710   2.150
  172    HA   VAL  22           HA       VAL  22 -15.305   6.332   1.199
  173    HB   VAL  22           HB       VAL  22 -16.253   5.149   3.815
  174   HG11  VAL  22          HG11      VAL  22 -17.825   7.040   3.883
  175   HG12  VAL  22          HG12      VAL  22 -17.034   7.735   2.465
  176   HG13  VAL  22          HG13      VAL  22 -16.147   7.575   3.981
  177   HG21  VAL  22          HG21      VAL  22 -17.669   5.612   1.190
  178   HG22  VAL  22          HG22      VAL  22 -18.411   4.992   2.665
  179   HG23  VAL  22          HG23      VAL  22 -17.168   4.053   1.841
  180    H    ILE  23           HN       ILE  23 -13.935   7.908   1.406
  181    HA   ILE  23           HA       ILE  23 -12.168   8.103   3.711
  182    HB   ILE  23           HB       ILE  23 -12.369   9.856   1.259
  183   HG12  ILE  23          HG12      ILE  23 -11.751   7.561   0.686
  184   HG13  ILE  23          HG11      ILE  23 -10.384   8.645   0.460
  185   HG21  ILE  23          HG21      ILE  23 -10.195   9.675   3.341
  186   HG22  ILE  23          HG22      ILE  23 -11.342  11.002   3.155
  187   HG23  ILE  23          HG23      ILE  23 -10.156  10.676   1.890
  188   HD11  ILE  23          HD11      ILE  23 -10.817   6.775   2.778
  189   HD12  ILE  23          HD12      ILE  23  -9.461   7.888   2.604
  190   HD13  ILE  23          HD13      ILE  23  -9.669   6.565   1.457
  191    H    ASP  24           HN       ASP  24 -14.955   9.581   2.266
  192    HA   ASP  24           HA       ASP  24 -15.589  10.952   4.730
  193    HB2  ASP  24           HB2      ASP  24 -14.289  12.686   3.630
  194    HB3  ASP  24           HB1      ASP  24 -15.192  12.462   2.138
  195    H    PHE  25           HN       PHE  25 -17.818  11.158   4.978
  196    HA   PHE  25           HA       PHE  25 -19.418  10.379   2.639
  197    HB2  PHE  25           HB2      PHE  25 -20.894   9.063   4.050
  198    HB3  PHE  25           HB1      PHE  25 -19.243   8.490   4.226
  199    HD1  PHE  25           HD1      PHE  25 -22.141   9.745   5.903
  200    HD2  PHE  25           HD2      PHE  25 -17.937   9.200   6.277
  201    HE1  PHE  25           HE1      PHE  25 -22.333   9.968   8.345
  202    HE2  PHE  25           HE2      PHE  25 -18.122   9.423   8.720
  203    HZ   PHE  25           HZ       PHE  25 -20.322   9.808   9.756
  204    H    GLN  26           HN       GLN  26 -21.238  11.540   2.256
  205    HA   GLN  26           HA       GLN  26 -21.991  13.565   4.258
  206    HB2  GLN  26           HB2      GLN  26 -21.053  14.639   2.297
  207    HB3  GLN  26           HB1      GLN  26 -22.093  13.698   1.238
  208    HG2  GLN  26           HG2      GLN  26 -22.927  15.946   1.418
  209    HG3  GLN  26           HG1      GLN  26 -24.056  14.833   2.188
  210   HE21  GLN  26          HE21      GLN  26 -24.966  16.404   3.470
  211   HE22  GLN  26          HE22      GLN  26 -24.134  17.118   4.806
  212    H    HIS  27           HN       HIS  27 -23.654  12.549   5.278
  213    HA   HIS  27           HA       HIS  27 -25.668  11.076   3.856
  214    HB2  HIS  27           HB2      HIS  27 -24.987  10.664   6.258
  215    HB3  HIS  27           HB1      HIS  27 -25.815  12.159   6.680
  216    HD1  HIS  27           HD1      HIS  27 -28.362  12.082   6.848
  217    HD2  HIS  27           HD2      HIS  27 -26.682   8.529   5.505
  218    HE1  HIS  27           HE1      HIS  27 -30.222  10.394   6.904
  219    HE2  HIS  27           HE2      HIS  27 -29.111   8.205   6.328
  220    H    VAL  28           HN       VAL  28 -26.896  12.203   2.471
  221    HA   VAL  28           HA       VAL  28 -27.724  14.913   3.253
  222    HB   VAL  28           HB       VAL  28 -26.303  15.036   1.340
  223   HG11  VAL  28          HG11      VAL  28 -28.072  12.945   0.090
  224   HG12  VAL  28          HG12      VAL  28 -26.367  12.786   0.521
  225   HG13  VAL  28          HG13      VAL  28 -26.852  13.870  -0.784
  226   HG21  VAL  28          HG21      VAL  28 -28.174  16.553   1.268
  227   HG22  VAL  28          HG22      VAL  28 -29.186  15.325   0.509
  228   HG23  VAL  28          HG23      VAL  28 -27.810  15.997  -0.365
  229    H    LYS  29           HN       LYS  29 -29.787  15.308   3.557
  230    HA   LYS  29           HA       LYS  29 -31.760  13.415   2.471
  231    HB2  LYS  29           HB2      LYS  29 -31.894  15.109   4.971
  232    HB3  LYS  29           HB1      LYS  29 -33.238  14.167   4.340
  233    HG2  LYS  29           HG2      LYS  29 -31.859  12.125   4.578
  234    HG3  LYS  29           HG1      LYS  29 -30.602  13.107   5.330
  235    HD2  LYS  29           HD2      LYS  29 -33.424  12.824   6.363
  236    HD3  LYS  29           HD1      LYS  29 -32.033  11.926   6.970
  237    HE2  LYS  29           HE2      LYS  29 -30.957  14.097   7.531
  238    HE3  LYS  29           HE1      LYS  29 -32.445  14.911   7.057
  239    HZ1  LYS  29           HZ1      LYS  29 -33.621  13.739   8.782
  240    HZ2  LYS  29           HZ2      LYS  29 -32.296  14.539   9.461
  241    HZ3  LYS  29           HZ3      LYS  29 -32.235  12.871   9.200
  242    HA   PRO  30           HA       PRO  30 -32.667  17.015  -0.131
  243    HB2  PRO  30           HB2      PRO  30 -34.654  15.032  -1.100
  244    HB3  PRO  30           HB1      PRO  30 -33.520  16.030  -2.015
  245    HG2  PRO  30           HG2      PRO  30 -33.083  13.421  -1.676
  246    HG3  PRO  30           HG1      PRO  30 -31.746  14.586  -1.647
  247    HD2  PRO  30           HD2      PRO  30 -33.083  13.177   0.617
  248    HD3  PRO  30           HD1      PRO  30 -31.374  13.608   0.404
  249    H    GLY  31           HN       GLY  31 -35.168  14.881   1.233
  250    HA2  GLY  31           HA2      GLY  31 -36.722  15.850   2.861
  251    HA3  GLY  31           HA1      GLY  31 -36.744  17.297   1.864
  252    H    LYS  32           HN       LYS  32 -36.679  14.463   0.037
  253    HA   LYS  32           HA       LYS  32 -39.529  14.796  -0.574
  254    HB2  LYS  32           HB2      LYS  32 -39.014  13.674  -2.703
  255    HB3  LYS  32           HB1      LYS  32 -38.036  15.114  -2.467
  256    HG2  LYS  32           HG2      LYS  32 -36.182  13.640  -1.691
  257    HG3  LYS  32           HG1      LYS  32 -37.170  12.252  -2.155
  258    HD2  LYS  32           HD2      LYS  32 -37.265  13.108  -4.455
  259    HD3  LYS  32           HD1      LYS  32 -36.246  14.469  -3.982
  260    HE2  LYS  32           HE2      LYS  32 -34.474  12.869  -3.347
  261    HE3  LYS  32           HE1      LYS  32 -35.491  11.549  -3.923
  262    HZ1  LYS  32           HZ1      LYS  32 -35.466  12.602  -6.130
  263    HZ2  LYS  32           HZ2      LYS  32 -33.923  12.151  -5.613
  264    HZ3  LYS  32           HZ3      LYS  32 -34.392  13.774  -5.550
  265    H    GLY  33           HN       GLY  33 -37.717  12.968   1.355
  266    HA2  GLY  33           HA2      GLY  33 -38.870  11.233   2.598
  267    HA3  GLY  33           HA1      GLY  33 -39.533  10.661   1.075
  268    H    SER  34           HN       SER  34 -37.236  10.648  -0.500
  269    HA   SER  34           HA       SER  34 -35.811   8.403   0.685
  270    HB2  SER  34           HB2      SER  34 -34.850   8.207  -1.660
  271    HB3  SER  34           HB1      SER  34 -36.590   7.958  -1.522
  272    HG   SER  34           HG       SER  34 -35.832   9.391  -3.263
  273    H    ALA  35           HN       ALA  35 -33.830   8.583   1.502
  274    HA   ALA  35           HA       ALA  35 -32.412  11.120   1.142
  275    HB1  ALA  35           HB1      ALA  35 -31.944   8.943   3.170
  276    HB2  ALA  35           HB2      ALA  35 -32.877  10.416   3.440
  277    HB3  ALA  35           HB3      ALA  35 -31.145  10.514   3.115
  278    H    PHE  36           HN       PHE  36 -30.063  11.035   0.984
  279    HA   PHE  36           HA       PHE  36 -29.064   8.639  -0.363
  280    HB2  PHE  36           HB2      PHE  36 -28.766  11.476  -1.375
  281    HB3  PHE  36           HB1      PHE  36 -27.912  10.085  -2.029
  282    HD1  PHE  36           HD1      PHE  36 -31.169  11.741  -1.722
  283    HD2  PHE  36           HD2      PHE  36 -29.008   8.510  -3.459
  284    HE1  PHE  36           HE1      PHE  36 -33.033  11.327  -3.271
  285    HE2  PHE  36           HE2      PHE  36 -30.871   8.092  -5.008
  286    HZ   PHE  36           HZ       PHE  36 -32.886   9.502  -4.915
  287    H    VAL  37           HN       VAL  37 -26.661   8.676  -0.520
  288    HA   VAL  37           HA       VAL  37 -25.418  10.389   1.520
  289    HB   VAL  37           HB       VAL  37 -24.773   7.459   1.131
  290   HG11  VAL  37          HG11      VAL  37 -23.335   7.735   3.091
  291   HG12  VAL  37          HG12      VAL  37 -23.712   9.459   3.118
  292   HG13  VAL  37          HG13      VAL  37 -22.826   8.772   1.757
  293   HG21  VAL  37          HG21      VAL  37 -25.695   7.151   3.383
  294   HG22  VAL  37          HG22      VAL  37 -26.912   7.719   2.239
  295   HG23  VAL  37          HG23      VAL  37 -26.196   8.843   3.394
  296    H    ARG  38           HN       ARG  38 -24.283  11.718   0.274
  297    HA   ARG  38           HA       ARG  38 -22.902  10.788  -2.091
  298    HB2  ARG  38           HB2      ARG  38 -23.978  13.063  -1.917
  299    HB3  ARG  38           HB1      ARG  38 -22.732  13.495  -0.754
  300    HG2  ARG  38           HG2      ARG  38 -21.015  13.147  -2.441
  301    HG3  ARG  38           HG1      ARG  38 -22.251  12.678  -3.611
  302    HD2  ARG  38           HD2      ARG  38 -23.288  14.921  -3.310
  303    HD3  ARG  38           HD1      ARG  38 -21.921  15.367  -2.290
  304    HE   ARG  38           HE       ARG  38 -20.829  14.452  -4.651
  305   HH11  ARG  38          HH11      ARG  38 -22.980  17.044  -3.682
  306   HH12  ARG  38          HH12      ARG  38 -22.525  18.074  -5.001
  307   HH21  ARG  38          HH21      ARG  38 -20.239  15.782  -6.364
  308   HH22  ARG  38          HH22      ARG  38 -20.949  17.360  -6.527
  309    H    SER  39           HN       SER  39 -21.234   9.464  -1.590
  310    HA   SER  39           HA       SER  39 -19.478  10.313   0.602
  311    HB2  SER  39           HB2      SER  39 -18.821   7.868   0.667
  312    HB3  SER  39           HB1      SER  39 -20.478   8.225   1.144
  313    HG   SER  39           HG       SER  39 -20.309   7.791  -1.521
  314    H    LYS  40           HN       LYS  40 -17.400  10.668   0.270
  315    HA   LYS  40           HA       LYS  40 -16.273  10.289  -2.393
  316    HB2  LYS  40           HB2      LYS  40 -15.851  12.435  -1.239
  317    HB3  LYS  40           HB1      LYS  40 -15.079  11.569   0.082
  318    HG2  LYS  40           HG2      LYS  40 -13.433  10.687  -1.608
  319    HG3  LYS  40           HG1      LYS  40 -14.121  11.840  -2.752
  320    HD2  LYS  40           HD2      LYS  40 -12.879  12.536  -0.093
  321    HD3  LYS  40           HD1      LYS  40 -12.098  12.710  -1.665
  322    HE2  LYS  40           HE2      LYS  40 -13.891  14.270  -2.338
  323    HE3  LYS  40           HE1      LYS  40 -14.574  14.143  -0.717
  324    HZ1  LYS  40           HZ1      LYS  40 -12.524  15.039   0.179
  325    HZ2  LYS  40           HZ2      LYS  40 -13.191  16.106  -0.948
  326    HZ3  LYS  40           HZ3      LYS  40 -11.861  15.152  -1.373
  327    H    LEU  41           HN       LEU  41 -15.370   8.363  -2.799
  328    HA   LEU  41           HA       LEU  41 -13.931   7.020  -0.652
  329    HB2  LEU  41           HB2      LEU  41 -15.077   4.942  -0.906
  330    HB3  LEU  41           HB1      LEU  41 -16.273   6.189  -0.624
  331    HG   LEU  41           HG       LEU  41 -15.677   4.839  -3.264
  332   HD11  LEU  41          HD11      LEU  41 -16.926   3.486  -1.648
  333   HD12  LEU  41          HD12      LEU  41 -17.918   3.941  -3.031
  334   HD13  LEU  41          HD13      LEU  41 -18.116   4.779  -1.492
  335   HD21  LEU  41          HD21      LEU  41 -17.583   6.097  -4.144
  336   HD22  LEU  41          HD22      LEU  41 -16.271   7.167  -3.657
  337   HD23  LEU  41          HD23      LEU  41 -17.693   6.992  -2.628
  338    H    ARG  42           HN       ARG  42 -12.351   5.548  -1.323
  339    HA   ARG  42           HA       ARG  42 -11.567   6.058  -4.109
  340    HB2  ARG  42           HB2      ARG  42  -9.315   6.018  -3.477
  341    HB3  ARG  42           HB1      ARG  42 -10.103   6.879  -2.165
  342    HG2  ARG  42           HG2      ARG  42  -9.972   4.986  -0.734
  343    HG3  ARG  42           HG1      ARG  42  -9.450   3.945  -2.061
  344    HD2  ARG  42           HD2      ARG  42  -7.447   5.508  -2.276
  345    HD3  ARG  42           HD1      ARG  42  -7.928   6.158  -0.710
  346    HE   ARG  42           HE       ARG  42  -7.737   3.723   0.041
  347   HH11  ARG  42          HH11      ARG  42  -5.691   5.234  -2.367
  348   HH12  ARG  42          HH12      ARG  42  -4.396   4.098  -2.167
  349   HH21  ARG  42          HH21      ARG  42  -6.020   2.232   0.312
  350   HH22  ARG  42          HH22      ARG  42  -4.585   2.387  -0.654
  351    H    ASN  43           HN       ASN  43 -11.018   4.414  -5.456
  352    HA   ASN  43           HA       ASN  43 -11.729   1.737  -4.844
  353    HB2  ASN  43           HB2      ASN  43 -11.549   2.657  -7.185
  354    HB3  ASN  43           HB1      ASN  43  -9.801   2.654  -6.996
  355   HD21  ASN  43          HD21      ASN  43 -11.716   1.165  -8.774
  356   HD22  ASN  43          HD22      ASN  43 -11.242  -0.491  -8.609
  357    H    LEU  44           HN       LEU  44 -10.661   0.309  -3.666
  358    HA   LEU  44           HA       LEU  44  -8.418   1.180  -2.179
  359    HB2  LEU  44           HB2      LEU  44 -10.376  -0.416  -1.578
  360    HB3  LEU  44           HB1      LEU  44  -9.371  -1.652  -2.304
  361    HG   LEU  44           HG       LEU  44  -8.225   0.050  -0.130
  362   HD11  LEU  44          HD11      LEU  44 -10.026  -2.333   0.275
  363   HD12  LEU  44          HD12      LEU  44 -10.383  -0.669   0.735
  364   HD13  LEU  44          HD13      LEU  44  -9.071  -1.541   1.528
  365   HD21  LEU  44          HD21      LEU  44  -7.858  -2.829  -0.945
  366   HD22  LEU  44          HD22      LEU  44  -6.988  -2.006   0.347
  367   HD23  LEU  44          HD23      LEU  44  -6.768  -1.499  -1.328
  368    H    ARG  45           HN       ARG  45  -8.753  -0.669  -5.082
  369    HA   ARG  45           HA       ARG  45  -6.149  -1.905  -4.846
  370    HB2  ARG  45           HB2      ARG  45  -7.920  -1.831  -7.289
  371    HB3  ARG  45           HB1      ARG  45  -6.623  -2.969  -6.939
  372    HG2  ARG  45           HG2      ARG  45  -7.941  -3.769  -4.990
  373    HG3  ARG  45           HG1      ARG  45  -9.266  -2.738  -5.527
  374    HD2  ARG  45           HD2      ARG  45  -9.821  -4.783  -6.437
  375    HD3  ARG  45           HD1      ARG  45  -9.002  -3.983  -7.777
  376    HE   ARG  45           HE       ARG  45  -6.969  -5.298  -6.844
  377   HH11  ARG  45          HH11      ARG  45 -10.290  -6.404  -6.992
  378   HH12  ARG  45          HH12      ARG  45  -9.856  -8.088  -7.081
  379   HH21  ARG  45          HH21      ARG  45  -6.410  -7.520  -6.927
  380   HH22  ARG  45          HH22      ARG  45  -7.665  -8.710  -7.053
  381    H    THR  46           HN       THR  46  -7.619   0.659  -6.819
  382    HA   THR  46           HA       THR  46  -5.064   1.116  -8.137
  383    HB   THR  46           HB       THR  46  -6.359   2.636  -9.604
  384    HG1  THR  46           HG1      THR  46  -8.689   2.533  -9.353
  385   HG21  THR  46          HG21      THR  46  -7.532  -0.121  -9.261
  386   HG22  THR  46          HG22      THR  46  -6.104   0.293 -10.212
  387   HG23  THR  46          HG23      THR  46  -7.690   0.889 -10.699
  388    H    GLY  47           HN       GLY  47  -6.987   2.434  -5.639
  389    HA2  GLY  47           HA2      GLY  47  -6.524   4.193  -4.203
  390    HA3  GLY  47           HA1      GLY  47  -5.117   4.575  -5.182
  391    H    ALA  48           HN       ALA  48  -8.078   4.229  -6.863
  392    HA   ALA  48           HA       ALA  48  -7.933   6.931  -7.783
  393    HB1  ALA  48           HB1      ALA  48  -9.817   6.361  -9.182
  394    HB2  ALA  48           HB2      ALA  48 -10.065   4.865  -8.277
  395    HB3  ALA  48           HB3      ALA  48  -8.602   5.085  -9.239
  396    H    ILE  49           HN       ILE  49  -8.912   8.665  -7.031
  397    HA   ILE  49           HA       ILE  49 -10.751   8.433  -4.787
  398    HB   ILE  49           HB       ILE  49  -9.685  10.936  -6.102
  399   HG12  ILE  49          HG12      ILE  49  -7.821   9.603  -5.266
  400   HG13  ILE  49          HG11      ILE  49  -8.053  11.023  -4.254
  401   HG21  ILE  49          HG21      ILE  49 -10.968  10.492  -3.413
  402   HG22  ILE  49          HG22      ILE  49 -11.686  11.323  -4.792
  403   HG23  ILE  49          HG23      ILE  49 -10.283  12.016  -3.977
  404   HD11  ILE  49          HD11      ILE  49  -7.569   9.123  -2.877
  405   HD12  ILE  49          HD12      ILE  49  -8.873   8.202  -3.622
  406   HD13  ILE  49          HD13      ILE  49  -9.246   9.604  -2.619
  407    H    GLN  50           HN       GLN  50 -12.833   8.088  -5.300
  408    HA   GLN  50           HA       GLN  50 -14.020   9.744  -7.421
  409    HB2  GLN  50           HB2      GLN  50 -13.716   7.471  -8.278
  410    HB3  GLN  50           HB1      GLN  50 -14.532   6.814  -6.873
  411    HG2  GLN  50           HG2      GLN  50 -16.621   7.777  -7.563
  412    HG3  GLN  50           HG1      GLN  50 -15.832   8.616  -8.896
  413   HE21  GLN  50          HE21      GLN  50 -14.142   6.443  -9.659
  414   HE22  GLN  50          HE22      GLN  50 -15.149   5.245 -10.394
  415    H    GLU  51           HN       GLU  51 -16.400  10.059  -7.104
  416    HA   GLU  51           HA       GLU  51 -17.189   9.545  -4.326
  417    HB2  GLU  51           HB2      GLU  51 -18.561  11.600  -4.379
  418    HB3  GLU  51           HB1      GLU  51 -16.838  11.915  -4.504
  419    HG2  GLU  51           HG2      GLU  51 -17.016  12.373  -6.836
  420    HG3  GLU  51           HG1      GLU  51 -18.694  11.829  -6.869
  421    H    LYS  52           HN       LYS  52 -18.991   8.491  -4.018
  422    HA   LYS  52           HA       LYS  52 -20.793   8.086  -6.304
  423    HB2  LYS  52           HB2      LYS  52 -19.839   5.943  -4.392
  424    HB3  LYS  52           HB1      LYS  52 -20.984   5.715  -5.707
  425    HG2  LYS  52           HG2      LYS  52 -19.291   6.189  -7.343
  426    HG3  LYS  52           HG1      LYS  52 -18.136   6.617  -6.084
  427    HD2  LYS  52           HD2      LYS  52 -17.586   4.428  -6.812
  428    HD3  LYS  52           HD1      LYS  52 -18.351   4.260  -5.232
  429    HE2  LYS  52           HE2      LYS  52 -19.147   2.571  -6.807
  430    HE3  LYS  52           HE1      LYS  52 -20.448   3.644  -6.297
  431    HZ1  LYS  52           HZ1      LYS  52 -20.325   3.088  -8.738
  432    HZ2  LYS  52           HZ2      LYS  52 -18.944   4.071  -8.811
  433    HZ3  LYS  52           HZ3      LYS  52 -20.430   4.737  -8.354
  434    H    THR  53           HN       THR  53 -22.971   7.800  -5.774
  435    HA   THR  53           HA       THR  53 -23.601   8.704  -3.050
  436    HB   THR  53           HB       THR  53 -25.282   9.074  -5.528
  437    HG1  THR  53           HG1      THR  53 -23.147  10.207  -5.414
  438   HG21  THR  53          HG21      THR  53 -26.532   9.146  -3.417
  439   HG22  THR  53          HG22      THR  53 -26.462  10.737  -4.173
  440   HG23  THR  53          HG23      THR  53 -25.419  10.366  -2.799
  441    H    PHE  54           HN       PHE  54 -24.473   7.230  -1.798
  442    HA   PHE  54           HA       PHE  54 -25.806   4.899  -2.890
  443    HB2  PHE  54           HB2      PHE  54 -25.212   5.758  -0.050
  444    HB3  PHE  54           HB1      PHE  54 -25.992   4.240  -0.474
  445    HD1  PHE  54           HD1      PHE  54 -24.713   2.586  -1.894
  446    HD2  PHE  54           HD2      PHE  54 -22.876   5.965  -0.064
  447    HE1  PHE  54           HE1      PHE  54 -22.509   1.518  -2.139
  448    HE2  PHE  54           HE2      PHE  54 -20.670   4.901  -0.301
  449    HZ   PHE  54           HZ       PHE  54 -20.485   2.677  -1.343
  450    H    ARG  55           HN       ARG  55 -27.988   4.284  -2.181
  451    HA   ARG  55           HA       ARG  55 -29.658   6.653  -1.703
  452    HB2  ARG  55           HB2      ARG  55 -31.313   5.877  -3.252
  453    HB3  ARG  55           HB1      ARG  55 -29.764   5.911  -4.068
  454    HG2  ARG  55           HG2      ARG  55 -30.968   3.402  -2.927
  455    HG3  ARG  55           HG1      ARG  55 -31.239   3.947  -4.580
  456    HD2  ARG  55           HD2      ARG  55 -28.587   3.237  -3.332
  457    HD3  ARG  55           HD1      ARG  55 -29.478   2.280  -4.511
  458    HE   ARG  55           HE       ARG  55 -28.834   4.945  -5.408
  459   HH11  ARG  55          HH11      ARG  55 -27.763   1.607  -5.222
  460   HH12  ARG  55          HH12      ARG  55 -26.625   1.780  -6.524
  461   HH21  ARG  55          HH21      ARG  55 -27.326   5.166  -7.104
  462   HH22  ARG  55          HH22      ARG  55 -26.365   3.802  -7.586
  463    H    ALA  56           HN       ALA  56 -31.181   6.529  -0.194
  464    HA   ALA  56           HA       ALA  56 -31.137   4.426   1.687
  465    HB1  ALA  56           HB1      ALA  56 -33.159   6.633   1.329
  466    HB2  ALA  56           HB2      ALA  56 -31.701   6.699   2.323
  467    HB3  ALA  56           HB3      ALA  56 -33.011   5.598   2.751
  468    H    GLY  57           HN       GLY  57 -32.458   2.730   2.051
  469    HA2  GLY  57           HA2      GLY  57 -34.531   1.538   1.704
  470    HA3  GLY  57           HA1      GLY  57 -34.620   2.265   0.103
  471    H    GLU  58           HN       GLU  58 -31.752   1.836  -0.359
  472    HA   GLU  58           HA       GLU  58 -31.883  -1.016  -1.031
  473    HB2  GLU  58           HB2      GLU  58 -31.492   0.623  -2.868
  474    HB3  GLU  58           HB1      GLU  58 -30.010   1.126  -2.068
  475    HG2  GLU  58           HG2      GLU  58 -29.103  -1.126  -2.335
  476    HG3  GLU  58           HG1      GLU  58 -30.589  -1.624  -3.141
  477    H    LYS  59           HN       LYS  59 -30.300  -2.436  -0.356
  478    HA   LYS  59           HA       LYS  59 -28.834  -1.647   1.995
  479    HB2  LYS  59           HB2      LYS  59 -28.830  -4.277   0.501
  480    HB3  LYS  59           HB1      LYS  59 -28.056  -3.993   2.048
  481    HG2  LYS  59           HG2      LYS  59 -29.979  -4.950   2.769
  482    HG3  LYS  59           HG1      LYS  59 -30.501  -3.267   2.737
  483    HD2  LYS  59           HD2      LYS  59 -32.205  -4.595   1.709
  484    HD3  LYS  59           HD1      LYS  59 -31.401  -3.666   0.445
  485    HE2  LYS  59           HE2      LYS  59 -31.803  -5.981  -0.247
  486    HE3  LYS  59           HE1      LYS  59 -30.084  -5.610  -0.179
  487    HZ1  LYS  59           HZ1      LYS  59 -30.665  -7.787   0.782
  488    HZ2  LYS  59           HZ2      LYS  59 -31.581  -7.006   1.970
  489    HZ3  LYS  59           HZ3      LYS  59 -29.908  -6.763   1.897
  490    H    VAL  60           HN       VAL  60 -26.675  -1.414   2.217
  491    HA   VAL  60           HA       VAL  60 -25.087  -1.219  -0.221
  492    HB   VAL  60           HB       VAL  60 -24.385  -0.468   2.628
  493   HG11  VAL  60          HG11      VAL  60 -22.522   0.761   1.626
  494   HG12  VAL  60          HG12      VAL  60 -22.969   0.140   0.038
  495   HG13  VAL  60          HG13      VAL  60 -22.414  -0.967   1.294
  496   HG21  VAL  60          HG21      VAL  60 -24.720   1.844   1.903
  497   HG22  VAL  60          HG22      VAL  60 -26.202   0.901   1.751
  498   HG23  VAL  60          HG23      VAL  60 -25.244   1.273   0.318
  499    H    GLU  61           HN       GLU  61 -23.719  -2.788  -0.803
  500    HA   GLU  61           HA       GLU  61 -23.357  -5.052   0.985
  501    HB2  GLU  61           HB2      GLU  61 -22.559  -4.657  -1.903
  502    HB3  GLU  61           HB1      GLU  61 -22.334  -6.145  -0.994
  503    HG2  GLU  61           HG2      GLU  61 -24.954  -4.846  -1.706
  504    HG3  GLU  61           HG1      GLU  61 -24.285  -6.328  -2.386
  505    HA   PRO  62           HA       PRO  62 -19.485  -3.190   2.176
  506    HB2  PRO  62           HB2      PRO  62 -18.901  -4.899   4.168
  507    HB3  PRO  62           HB1      PRO  62 -20.152  -3.662   4.332
  508    HG2  PRO  62           HG2      PRO  62 -20.438  -6.580   3.731
  509    HG3  PRO  62           HG1      PRO  62 -21.401  -5.562   4.818
  510    HD2  PRO  62           HD2      PRO  62 -22.195  -6.249   2.299
  511    HD3  PRO  62           HD1      PRO  62 -22.698  -4.751   3.108
  512    H    ALA  63           HN       ALA  63 -17.279  -3.732   2.191
  513    HA   ALA  63           HA       ALA  63 -16.631  -6.223   0.763
  514    HB1  ALA  63           HB1      ALA  63 -15.117  -3.616   0.713
  515    HB2  ALA  63           HB2      ALA  63 -16.208  -4.181  -0.546
  516    HB3  ALA  63           HB3      ALA  63 -14.724  -5.072  -0.201
  517    H    MET  64           HN       MET  64 -15.873  -7.643   2.194
  518    HA   MET  64           HA       MET  64 -14.549  -6.874   4.610
  519    HB2  MET  64           HB2      MET  64 -15.888  -8.898   4.564
  520    HB3  MET  64           HB1      MET  64 -14.893  -9.569   3.281
  521    HG2  MET  64           HG2      MET  64 -12.972  -9.598   4.821
  522    HG3  MET  64           HG1      MET  64 -14.020  -9.000   6.105
  523    HE1  MET  64           HE1      MET  64 -13.227 -11.052   7.608
  524    HE2  MET  64           HE2      MET  64 -12.233 -11.689   6.299
  525    HE3  MET  64           HE3      MET  64 -13.381 -12.741   7.123
  526    H    ILE  65           HN       ILE  65 -12.589  -6.031   4.541
  527    HA   ILE  65           HA       ILE  65 -10.651  -6.981   2.570
  528    HB   ILE  65           HB       ILE  65 -10.509  -4.652   4.496
  529   HG12  ILE  65          HG12      ILE  65 -12.157  -4.296   2.728
  530   HG13  ILE  65          HG11      ILE  65 -10.757  -3.260   2.481
  531   HG21  ILE  65          HG21      ILE  65  -8.526  -3.964   3.237
  532   HG22  ILE  65          HG22      ILE  65  -8.620  -5.450   2.291
  533   HG23  ILE  65          HG23      ILE  65  -8.296  -5.527   4.023
  534   HD11  ILE  65          HD11      ILE  65 -11.516  -4.166   0.382
  535   HD12  ILE  65          HD12      ILE  65 -11.370  -5.808   1.004
  536   HD13  ILE  65          HD13      ILE  65  -9.927  -4.819   0.779
  537    H    GLU  66           HN       GLU  66  -9.301  -8.526   3.125
  538    HA   GLU  66           HA       GLU  66  -8.960  -9.184   5.955
  539    HB2  GLU  66           HB2      GLU  66  -8.143 -10.778   3.523
  540    HB3  GLU  66           HB1      GLU  66  -8.228 -11.351   5.184
  541    HG2  GLU  66           HG2      GLU  66 -10.615 -11.163   5.187
  542    HG3  GLU  66           HG1      GLU  66 -10.600 -10.401   3.597
  543    H    ASN  67           HN       ASN  67  -6.983  -9.255   6.941
  544    HA   ASN  67           HA       ASN  67  -4.675  -8.365   5.342
  545    HB2  ASN  67           HB2      ASN  67  -5.454  -7.563   8.146
  546    HB3  ASN  67           HB1      ASN  67  -3.839  -7.312   7.495
  547   HD21  ASN  67          HD21      ASN  67  -7.172  -6.353   7.353
  548   HD22  ASN  67          HD22      ASN  67  -6.923  -4.913   6.429
  549    H    ARG  68           HN       ARG  68  -3.097  -9.800   5.284
  550    HA   ARG  68           HA       ARG  68  -2.649 -11.491   7.658
  551    HB2  ARG  68           HB2      ARG  68  -2.358 -12.213   4.741
  552    HB3  ARG  68           HB1      ARG  68  -1.648 -13.158   6.040
  553    HG2  ARG  68           HG2      ARG  68  -3.927 -13.477   6.975
  554    HG3  ARG  68           HG1      ARG  68  -4.573 -12.672   5.538
  555    HD2  ARG  68           HD2      ARG  68  -3.500 -14.363   4.128
  556    HD3  ARG  68           HD1      ARG  68  -2.884 -15.168   5.569
  557    HE   ARG  68           HE       ARG  68  -5.771 -14.869   5.057
  558   HH11  ARG  68          HH11      ARG  68  -3.009 -16.781   6.021
  559   HH12  ARG  68          HH12      ARG  68  -3.914 -18.263   6.134
  560   HH21  ARG  68          HH21      ARG  68  -6.977 -16.813   5.254
  561   HH22  ARG  68          HH22      ARG  68  -6.164 -18.272   5.721
  562    H    ARG  69           HN       ARG  69  -0.329 -12.179   7.838
  563    HA   ARG  69           HA       ARG  69   1.441 -10.269   6.495
  564    HB2  ARG  69           HB2      ARG  69   2.817 -10.110   8.528
  565    HB3  ARG  69           HB1      ARG  69   1.194  -9.484   8.762
  566    HG2  ARG  69           HG2      ARG  69   0.644 -11.760   9.767
  567    HG3  ARG  69           HG1      ARG  69   2.390 -12.020   9.816
  568    HD2  ARG  69           HD2      ARG  69   0.834  -9.815  11.159
  569    HD3  ARG  69           HD1      ARG  69   1.673 -11.152  11.938
  570    HE   ARG  69           HE       ARG  69   3.763 -10.148  11.238
  571   HH11  ARG  69          HH11      ARG  69   0.918  -8.108  11.008
  572   HH12  ARG  69          HH12      ARG  69   1.820  -6.630  11.112
  573   HH21  ARG  69          HH21      ARG  69   4.939  -8.198  11.367
  574   HH22  ARG  69          HH22      ARG  69   4.098  -6.681  11.307
  575    H    MET  70           HN       MET  70   3.258 -11.067   5.659
  576    HA   MET  70           HA       MET  70   3.598 -13.982   5.852
  577    HB2  MET  70           HB2      MET  70   4.081 -12.585   3.268
  578    HB3  MET  70           HB1      MET  70   3.535 -14.228   3.569
  579    HG2  MET  70           HG2      MET  70   1.781 -11.864   4.119
  580    HG3  MET  70           HG1      MET  70   1.898 -12.577   2.515
  581    HE1  MET  70           HE1      MET  70   0.342 -16.043   2.888
  582    HE2  MET  70           HE2      MET  70   2.053 -15.622   2.865
  583    HE3  MET  70           HE3      MET  70   0.924 -14.787   1.798
  584    H    GLN  71           HN       GLN  71   5.684 -14.686   5.908
  585    HA   GLN  71           HA       GLN  71   7.782 -12.741   6.123
  586    HB2  GLN  71           HB2      GLN  71   7.674 -14.848   7.472
  587    HB3  GLN  71           HB1      GLN  71   8.061 -15.737   6.005
  588    HG2  GLN  71           HG2      GLN  71  10.188 -14.633   5.833
  589    HG3  GLN  71           HG1      GLN  71   9.804 -13.599   7.210
  590   HE21  GLN  71          HE21      GLN  71   9.781 -14.500   9.283
  591   HE22  GLN  71          HE22      GLN  71  10.556 -16.002   9.637
  592    H    TYR  72           HN       TYR  72   9.239 -12.159   4.655
  593    HA   TYR  72           HA       TYR  72   8.621 -12.630   1.912
  594    HB2  TYR  72           HB2      TYR  72   9.421 -10.449   2.893
  595    HB3  TYR  72           HB1      TYR  72  11.012 -11.176   3.053
  596    HD1  TYR  72           HD1      TYR  72  12.331 -11.726   1.026
  597    HD2  TYR  72           HD2      TYR  72   8.611  -9.682   0.788
  598    HE1  TYR  72           HE1      TYR  72  12.872 -11.016  -1.266
  599    HE2  TYR  72           HE2      TYR  72   9.137  -8.973  -1.501
  600    HH   TYR  72           HH       TYR  72  10.928  -8.695  -2.971
  601    H    LEU  73           HN       LEU  73   9.124 -14.611   1.144
  602    HA   LEU  73           HA       LEU  73  11.931 -15.443   1.253
  603    HB2  LEU  73           HB2      LEU  73   9.403 -16.774   0.339
  604    HB3  LEU  73           HB1      LEU  73  10.946 -17.325  -0.283
  605    HG   LEU  73           HG       LEU  73  11.695 -17.865   1.980
  606   HD11  LEU  73          HD11      LEU  73  10.482 -16.168   3.226
  607   HD12  LEU  73          HD12      LEU  73  10.153 -17.776   3.868
  608   HD13  LEU  73          HD13      LEU  73   8.956 -16.969   2.855
  609   HD21  LEU  73          HD21      LEU  73   8.998 -19.016   1.289
  610   HD22  LEU  73          HD22      LEU  73  10.157 -19.728   2.411
  611   HD23  LEU  73          HD23      LEU  73  10.563 -19.581   0.701
  612    H    TYR  74           HN       TYR  74  12.548 -16.333  -1.192
  613    HA   TYR  74           HA       TYR  74  11.881 -14.170  -3.014
  614    HB2  TYR  74           HB2      TYR  74  14.230 -13.466  -3.274
  615    HB3  TYR  74           HB1      TYR  74  13.619 -13.176  -1.649
  616    HD1  TYR  74           HD1      TYR  74  14.375 -14.595   0.228
  617    HD2  TYR  74           HD2      TYR  74  16.035 -14.984  -3.670
  618    HE1  TYR  74           HE1      TYR  74  16.271 -15.846   1.164
  619    HE2  TYR  74           HE2      TYR  74  17.935 -16.235  -2.741
  620    HH   TYR  74           HH       TYR  74  19.100 -16.497  -0.602
  621    H    ALA  75           HN       ALA  75  12.394 -14.460  -5.084
  622    HA   ALA  75           HA       ALA  75  14.133 -16.585  -5.982
  623    HB1  ALA  75           HB1      ALA  75  11.250 -16.422  -6.888
  624    HB2  ALA  75           HB2      ALA  75  11.944 -17.698  -5.888
  625    HB3  ALA  75           HB3      ALA  75  12.483 -17.495  -7.553
  626    H    ASP  76           HN       ASP  76  13.735 -16.291  -8.726
  627    HA   ASP  76           HA       ASP  76  14.725 -13.687  -9.244
  628    HB2  ASP  76           HB2      ASP  76  15.186 -15.568 -10.768
  629    HB3  ASP  76           HB1      ASP  76  13.477 -15.648 -11.190
  630    H    GLY  77           HN       GLY  77  13.632 -11.867 -10.247
  631    HA2  GLY  77           HA2      GLY  77  11.078 -11.640  -8.934
  632    HA3  GLY  77           HA1      GLY  77  11.949 -10.349  -9.741
  633    H    ASP  78           HN       ASP  78  10.391 -13.395 -10.665
  634    HA   ASP  78           HA       ASP  78   8.406 -11.766 -12.097
  635    HB2  ASP  78           HB2      ASP  78   8.032 -13.520 -13.688
  636    HB3  ASP  78           HB1      ASP  78   9.778 -13.283 -13.626
  637    H    ASN  79           HN       ASN  79   9.271 -14.244  -9.889
  638    HA   ASN  79           HA       ASN  79   6.562 -14.297  -8.779
  639    HB2  ASN  79           HB2      ASN  79   6.825 -16.293 -10.229
  640    HB3  ASN  79           HB1      ASN  79   8.272 -16.737  -9.321
  641   HD21  ASN  79          HD21      ASN  79   4.824 -16.625  -9.340
  642   HD22  ASN  79          HD22      ASN  79   4.580 -17.585  -7.925
  643    H    HIS  80           HN       HIS  80   6.644 -13.944  -6.600
  644    HA   HIS  80           HA       HIS  80   9.131 -14.708  -5.201
  645    HB2  HIS  80           HB2      HIS  80   7.450 -12.242  -4.831
  646    HB3  HIS  80           HB1      HIS  80   8.472 -12.849  -3.536
  647    HD1  HIS  80           HD1      HIS  80   9.103 -10.104  -4.551
  648    HD2  HIS  80           HD2      HIS  80  10.731 -13.559  -6.229
  649    HE1  HIS  80           HE1      HIS  80  11.211  -9.378  -5.726
  650    HE2  HIS  80           HE2      HIS  80  12.248 -11.500  -6.601
  651    H    VAL  81           HN       VAL  81   8.924 -15.506  -3.086
  652    HA   VAL  81           HA       VAL  81   6.333 -16.810  -2.680
  653    HB   VAL  81           HB       VAL  81   9.017 -17.528  -1.500
  654   HG11  VAL  81          HG11      VAL  81   7.937 -19.660  -0.941
  655   HG12  VAL  81          HG12      VAL  81   6.409 -19.046  -1.574
  656   HG13  VAL  81          HG13      VAL  81   7.138 -18.300  -0.152
  657   HG21  VAL  81          HG21      VAL  81   9.024 -17.770  -3.925
  658   HG22  VAL  81          HG22      VAL  81   7.549 -18.735  -3.841
  659   HG23  VAL  81          HG23      VAL  81   9.045 -19.349  -3.137
  660    H    PHE  82           HN       PHE  82   5.100 -16.309  -0.951
  661    HA   PHE  82           HA       PHE  82   6.394 -14.996   1.349
  662    HB2  PHE  82           HB2      PHE  82   3.709 -14.401   0.090
  663    HB3  PHE  82           HB1      PHE  82   4.163 -13.835   1.690
  664    HD1  PHE  82           HD1      PHE  82   4.955 -13.584  -1.912
  665    HD2  PHE  82           HD2      PHE  82   5.579 -11.978   1.987
  666    HE1  PHE  82           HE1      PHE  82   6.031 -11.608  -2.901
  667    HE2  PHE  82           HE2      PHE  82   6.648  -9.997   0.996
  668    HZ   PHE  82           HZ       PHE  82   6.878  -9.811  -1.447
  669    H    MET  83           HN       MET  83   5.958 -15.892   3.314
  670    HA   MET  83           HA       MET  83   4.152 -18.221   3.283
  671    HB2  MET  83           HB2      MET  83   6.398 -17.596   5.205
  672    HB3  MET  83           HB1      MET  83   5.392 -19.033   5.241
  673    HG2  MET  83           HG2      MET  83   6.242 -19.553   2.936
  674    HG3  MET  83           HG1      MET  83   7.403 -18.246   3.159
  675    HE1  MET  83           HE1      MET  83   9.290 -19.612   6.409
  676    HE2  MET  83           HE2      MET  83   7.734 -18.786   6.495
  677    HE3  MET  83           HE3      MET  83   8.989 -18.189   5.411
  678    H    ASP  84           HN       ASP  84   2.275 -17.996   4.223
  679    HA   ASP  84           HA       ASP  84   1.460 -15.769   5.708
  680    HB2  ASP  84           HB2      ASP  84  -0.200 -17.021   4.585
  681    HB3  ASP  84           HB1      ASP  84   0.297 -18.517   5.361
  682    H    ASN  85           HN       ASN  85   1.777 -15.204   7.706
  683    HA   ASN  85           HA       ASN  85   3.128 -16.870   9.573
  684    HB2  ASN  85           HB2      ASN  85   1.901 -14.137   9.743
  685    HB3  ASN  85           HB1      ASN  85   2.554 -14.936  11.171
  686   HD21  ASN  85          HD21      ASN  85   4.117 -13.366  11.407
  687   HD22  ASN  85          HD22      ASN  85   5.514 -13.287  10.383
  688    H    GLU  86           HN       GLU  86  -0.221 -16.398   8.855
  689    HA   GLU  86           HA       GLU  86  -1.247 -16.952  11.443
  690    HB2  GLU  86           HB2      GLU  86  -2.577 -15.897   9.624
  691    HB3  GLU  86           HB1      GLU  86  -2.585 -17.433   8.775
  692    HG2  GLU  86           HG2      GLU  86  -3.835 -18.461  10.565
  693    HG3  GLU  86           HG1      GLU  86  -3.751 -16.975  11.510
  694    H    SER  87           HN       SER  87  -0.964 -19.055   8.539
  695    HA   SER  87           HA       SER  87   0.459 -20.980  10.038
  696    HB2  SER  87           HB2      SER  87  -1.271 -22.856   9.693
  697    HB3  SER  87           HB1      SER  87  -1.527 -21.734  11.030
  698    HG   SER  87           HG       SER  87  -2.701 -20.684   8.909
  699    H    PHE  88           HN       PHE  88   1.826 -20.625   8.235
  700    HA   PHE  88           HA       PHE  88   2.922 -21.487   6.462
  701    HB2  PHE  88           HB2      PHE  88   1.259 -23.845   7.308
  702    HB3  PHE  88           HB1      PHE  88   2.549 -23.957   6.109
  703    HD1  PHE  88           HD1      PHE  88   1.757 -23.475   9.648
  704    HD2  PHE  88           HD2      PHE  88   4.865 -23.752   6.755
  705    HE1  PHE  88           HE1      PHE  88   3.406 -23.758  11.450
  706    HE2  PHE  88           HE2      PHE  88   6.517 -24.039   8.551
  707    HZ   PHE  88           HZ       PHE  88   5.789 -24.041  10.902
  708    H    GLU  89           HN       GLU  89   0.299 -20.175   5.696
  709    HA   GLU  89           HA       GLU  89  -0.369 -21.687   3.313
  710    HB2  GLU  89           HB2      GLU  89  -1.432 -19.060   4.346
  711    HB3  GLU  89           HB1      GLU  89  -1.960 -19.821   2.853
  712    HG2  GLU  89           HG2      GLU  89  -2.653 -21.801   4.161
  713    HG3  GLU  89           HG1      GLU  89  -2.236 -20.923   5.632
  714    H    GLN  90           HN       GLN  90   0.938 -21.583   1.642
  715    HA   GLN  90           HA       GLN  90   2.787 -19.407   1.337
  716    HB2  GLN  90           HB2      GLN  90   3.403 -21.747   0.841
  717    HB3  GLN  90           HB1      GLN  90   2.239 -21.760  -0.476
  718    HG2  GLN  90           HG2      GLN  90   3.504 -20.001  -1.608
  719    HG3  GLN  90           HG1      GLN  90   4.678 -20.007  -0.291
  720   HE21  GLN  90          HE21      GLN  90   3.439 -21.726  -3.037
  721   HE22  GLN  90          HE22      GLN  90   4.730 -22.870  -3.159
  722    H    THR  91           HN       THR  91   2.614 -17.689   0.037
  723    HA   THR  91           HA       THR  91   0.621 -17.754  -2.114
  724    HB   THR  91           HB       THR  91   1.182 -15.409  -0.294
  725    HG1  THR  91           HG1      THR  91  -0.511 -17.450  -0.064
  726   HG21  THR  91          HG21      THR  91   0.750 -14.676  -2.591
  727   HG22  THR  91          HG22      THR  91  -0.603 -14.265  -1.537
  728   HG23  THR  91          HG23      THR  91  -0.723 -15.644  -2.629
  729    H    GLU  92           HN       GLU  92   1.580 -17.481  -4.016
  730    HA   GLU  92           HA       GLU  92   4.207 -16.184  -4.105
  731    HB2  GLU  92           HB2      GLU  92   2.780 -17.864  -6.174
  732    HB3  GLU  92           HB1      GLU  92   4.406 -17.217  -6.327
  733    HG2  GLU  92           HG2      GLU  92   5.248 -18.627  -4.653
  734    HG3  GLU  92           HG1      GLU  92   3.634 -19.044  -4.079
  735    H    LEU  93           HN       LEU  93   4.464 -14.231  -4.986
  736    HA   LEU  93           HA       LEU  93   2.101 -12.988  -6.207
  737    HB2  LEU  93           HB2      LEU  93   4.472 -11.833  -4.763
  738    HB3  LEU  93           HB1      LEU  93   3.353 -10.838  -5.671
  739    HG   LEU  93           HG       LEU  93   2.701 -12.520  -3.248
  740   HD11  LEU  93          HD11      LEU  93   2.259 -10.355  -2.192
  741   HD12  LEU  93          HD12      LEU  93   2.799  -9.537  -3.659
  742   HD13  LEU  93          HD13      LEU  93   3.936 -10.502  -2.716
  743   HD21  LEU  93          HD21      LEU  93   0.482 -11.344  -3.404
  744   HD22  LEU  93          HD22      LEU  93   0.772 -12.569  -4.635
  745   HD23  LEU  93          HD23      LEU  93   0.936 -10.859  -5.039
  746    H    SER  94           HN       SER  94   2.370 -11.556  -7.988
  747    HA   SER  94           HA       SER  94   4.300 -12.707  -9.856
  748    HB2  SER  94           HB2      SER  94   1.896 -10.990 -10.468
  749    HB3  SER  94           HB1      SER  94   2.829 -11.961 -11.604
  750    HG   SER  94           HG       SER  94   1.705 -13.250  -9.392
  751    H    SER  95           HN       SER  95   4.969 -11.151 -11.690
  752    HA   SER  95           HA       SER  95   6.890  -9.462 -10.780
  753    HB2  SER  95           HB2      SER  95   5.432  -9.022 -13.382
  754    HB3  SER  95           HB1      SER  95   7.131  -8.716 -13.024
  755    HG   SER  95           HG       SER  95   7.276 -10.633 -13.945
  756    H    ASP  96           HN       ASP  96   3.558  -8.609 -11.531
  757    HA   ASP  96           HA       ASP  96   3.662  -5.868 -11.617
  758    HB2  ASP  96           HB2      ASP  96   1.632  -7.083 -12.116
  759    HB3  ASP  96           HB1      ASP  96   1.504  -7.628 -10.448
  760    H    TYR  97           HN       TYR  97   3.398  -7.891  -8.702
  761    HA   TYR  97           HA       TYR  97   3.443  -5.585  -6.963
  762    HB2  TYR  97           HB2      TYR  97   3.583  -8.553  -6.424
  763    HB3  TYR  97           HB1      TYR  97   3.670  -7.341  -5.152
  764    HD1  TYR  97           HD1      TYR  97   1.714  -5.989  -4.590
  765    HD2  TYR  97           HD2      TYR  97   1.497  -9.067  -7.516
  766    HE1  TYR  97           HE1      TYR  97  -0.736  -5.956  -4.432
  767    HE2  TYR  97           HE2      TYR  97  -0.957  -9.040  -7.368
  768    HH   TYR  97           HH       TYR  97  -2.672  -6.564  -5.757
  769    H    LEU  98           HN       LEU  98   5.662  -7.969  -8.190
  770    HA   LEU  98           HA       LEU  98   7.666  -7.697  -6.228
  771    HB2  LEU  98           HB2      LEU  98   8.144  -8.516  -9.074
  772    HB3  LEU  98           HB1      LEU  98   9.064  -8.976  -7.656
  773    HG   LEU  98           HG       LEU  98   6.365  -9.957  -8.531
  774   HD11  LEU  98          HD11      LEU  98   8.333 -11.056  -9.438
  775   HD12  LEU  98          HD12      LEU  98   7.439 -12.123  -8.356
  776   HD13  LEU  98          HD13      LEU  98   8.926 -11.353  -7.804
  777   HD21  LEU  98          HD21      LEU  98   7.643 -10.339  -5.828
  778   HD22  LEU  98          HD22      LEU  98   6.241 -11.222  -6.432
  779   HD23  LEU  98          HD23      LEU  98   6.139  -9.481  -6.167
  780    H    LYS  99           HN       LYS  99   6.939  -5.903  -9.107
  781    HA   LYS  99           HA       LYS  99   9.397  -4.637  -9.514
  782    HB2  LYS  99           HB2      LYS  99   7.510  -4.535 -11.087
  783    HB3  LYS  99           HB1      LYS  99   6.626  -3.521  -9.960
  784    HG2  LYS  99           HG2      LYS  99   7.611  -2.194 -11.734
  785    HG3  LYS  99           HG1      LYS  99   8.320  -1.788 -10.172
  786    HD2  LYS  99           HD2      LYS  99  10.041  -1.909 -11.885
  787    HD3  LYS  99           HD1      LYS  99  10.263  -3.184 -10.690
  788    HE2  LYS  99           HE2      LYS  99  10.627  -4.052 -12.924
  789    HE3  LYS  99           HE1      LYS  99   9.188  -4.783 -12.218
  790    HZ1  LYS  99           HZ1      LYS  99   8.861  -4.135 -14.534
  791    HZ2  LYS  99           HZ2      LYS  99   9.183  -2.522 -14.141
  792    HZ3  LYS  99           HZ3      LYS  99   7.822  -3.289 -13.504
  793    H    GLU 100           HN       GLU 100   6.637  -3.673  -7.498
  794    HA   GLU 100           HA       GLU 100   7.906  -1.321  -6.518
  795    HB2  GLU 100           HB2      GLU 100   5.509  -2.880  -5.557
  796    HB3  GLU 100           HB1      GLU 100   6.055  -1.387  -4.799
  797    HG2  GLU 100           HG2      GLU 100   5.725  -0.174  -6.859
  798    HG3  GLU 100           HG1      GLU 100   5.288  -1.660  -7.694
  799    H    GLU 101           HN       GLU 101   7.663  -4.648  -5.386
  800    HA   GLU 101           HA       GLU 101   9.003  -4.354  -2.950
  801    HB2  GLU 101           HB2      GLU 101   9.138  -6.648  -4.915
  802    HB3  GLU 101           HB1      GLU 101   9.712  -6.714  -3.259
  803    HG2  GLU 101           HG2      GLU 101   7.498  -6.457  -2.408
  804    HG3  GLU 101           HG1      GLU 101   6.863  -6.136  -4.023
  805    H    LEU 102           HN       LEU 102  10.277  -4.800  -6.233
  806    HA   LEU 102           HA       LEU 102  12.995  -4.920  -5.474
  807    HB2  LEU 102           HB2      LEU 102  11.692  -4.225  -8.104
  808    HB3  LEU 102           HB1      LEU 102  13.423  -4.409  -7.897
  809    HG   LEU 102           HG       LEU 102  11.354  -6.568  -7.479
  810   HD11  LEU 102          HD11      LEU 102  11.693  -5.993  -9.828
  811   HD12  LEU 102          HD12      LEU 102  12.341  -7.592  -9.457
  812   HD13  LEU 102          HD13      LEU 102  13.432  -6.218  -9.635
  813   HD21  LEU 102          HD21      LEU 102  13.300  -8.062  -7.244
  814   HD22  LEU 102          HD22      LEU 102  13.205  -6.870  -5.950
  815   HD23  LEU 102          HD23      LEU 102  14.362  -6.654  -7.264
  816    H    ASN 103           HN       ASN 103  10.807  -2.320  -5.714
  817    HA   ASN 103           HA       ASN 103  12.799  -0.277  -5.984
  818    HB2  ASN 103           HB2      ASN 103   9.980  -0.102  -4.877
  819    HB3  ASN 103           HB1      ASN 103  11.015   1.273  -5.245
  820   HD21  ASN 103          HD21      ASN 103   8.420   0.692  -6.318
  821   HD22  ASN 103          HD22      ASN 103   8.608   0.526  -8.028
  822    H    TYR 104           HN       TYR 104  10.919  -1.651  -3.287
  823    HA   TYR 104           HA       TYR 104  13.161  -1.104  -1.495
  824    HB2  TYR 104           HB2      TYR 104  10.344  -0.245  -0.790
  825    HB3  TYR 104           HB1      TYR 104  11.784  -0.038   0.193
  826    HD1  TYR 104           HD1      TYR 104  13.594   1.541  -0.660
  827    HD2  TYR 104           HD2      TYR 104   9.685   1.402  -2.325
  828    HE1  TYR 104           HE1      TYR 104  13.941   3.764  -1.642
  829    HE2  TYR 104           HE2      TYR 104  10.021   3.630  -3.311
  830    HH   TYR 104           HH       TYR 104  13.043   5.095  -3.541
  831    H    LEU 105           HN       LEU 105  13.565  -3.049  -0.579
  832    HA   LEU 105           HA       LEU 105  11.563  -4.335   0.973
  833    HB2  LEU 105           HB2      LEU 105  11.240  -6.372  -0.133
  834    HB3  LEU 105           HB1      LEU 105  11.059  -5.165  -1.380
  835    HG   LEU 105           HG       LEU 105  12.195  -6.922  -2.412
  836   HD11  LEU 105          HD11      LEU 105  14.348  -5.002  -1.590
  837   HD12  LEU 105          HD12      LEU 105  13.236  -4.818  -2.946
  838   HD13  LEU 105          HD13      LEU 105  14.424  -6.123  -2.950
  839   HD21  LEU 105          HD21      LEU 105  14.043  -7.096  -0.044
  840   HD22  LEU 105          HD22      LEU 105  14.177  -8.045  -1.524
  841   HD23  LEU 105          HD23      LEU 105  12.772  -8.239  -0.476
  842    H    LYS 106           HN       LYS 106  12.373  -6.164   2.180
  843    HA   LYS 106           HA       LYS 106  15.269  -6.591   2.074
  844    HB2  LYS 106           HB2      LYS 106  13.677  -6.140   4.610
  845    HB3  LYS 106           HB1      LYS 106  15.338  -6.698   4.557
  846    HG2  LYS 106           HG2      LYS 106  14.411  -4.058   3.456
  847    HG3  LYS 106           HG1      LYS 106  15.059  -4.285   5.080
  848    HD2  LYS 106           HD2      LYS 106  16.536  -4.967   2.540
  849    HD3  LYS 106           HD1      LYS 106  16.729  -3.460   3.432
  850    HE2  LYS 106           HE2      LYS 106  17.375  -4.828   5.429
  851    HE3  LYS 106           HE1      LYS 106  17.376  -6.244   4.379
  852    HZ1  LYS 106           HZ1      LYS 106  19.593  -5.382   4.583
  853    HZ2  LYS 106           HZ2      LYS 106  19.097  -3.844   4.094
  854    HZ3  LYS 106           HZ3      LYS 106  19.056  -5.129   2.996
  855    H    GLU 107           HN       GLU 107  15.871  -8.703   2.500
  856    HA   GLU 107           HA       GLU 107  13.900 -10.680   2.029
  857    HB2  GLU 107           HB2      GLU 107  16.786 -10.922   2.883
  858    HB3  GLU 107           HB1      GLU 107  15.778 -12.281   2.405
  859    HG2  GLU 107           HG2      GLU 107  15.579 -11.461   0.185
  860    HG3  GLU 107           HG1      GLU 107  16.327  -9.925   0.623
  861    H    GLY 108           HN       GLY 108  12.753 -11.925   3.394
  862    HA2  GLY 108           HA2      GLY 108  12.248 -13.020   5.407
  863    HA3  GLY 108           HA1      GLY 108  13.534 -12.121   6.196
  864    H    MET 109           HN       MET 109  11.986  -9.843   4.521
  865    HA   MET 109           HA       MET 109  10.844  -8.614   6.771
  866    HB2  MET 109           HB2      MET 109  11.612  -7.344   4.856
  867    HB3  MET 109           HB1      MET 109  10.412  -8.108   3.829
  868    HG2  MET 109           HG2      MET 109   8.650  -7.077   5.246
  869    HG3  MET 109           HG1      MET 109   9.922  -6.184   6.078
  870    HE1  MET 109           HE1      MET 109  11.203  -4.176   5.129
  871    HE2  MET 109           HE2      MET 109  11.286  -3.772   3.415
  872    HE3  MET 109           HE3      MET 109  11.963  -5.292   3.995
  873    H    GLU 110           HN       GLU 110   8.897  -8.752   7.681
  874    HA   GLU 110           HA       GLU 110   6.948 -10.529   6.444
  875    HB2  GLU 110           HB2      GLU 110   7.048  -9.389   9.240
  876    HB3  GLU 110           HB1      GLU 110   5.896 -10.588   8.660
  877    HG2  GLU 110           HG2      GLU 110   7.721 -12.158   8.259
  878    HG3  GLU 110           HG1      GLU 110   8.881 -10.957   8.822
  879    H    VAL 111           HN       VAL 111   5.756  -9.471   5.024
  880    HA   VAL 111           HA       VAL 111   4.852  -6.741   5.617
  881    HB   VAL 111           HB       VAL 111   4.314  -6.557   3.253
  882   HG11  VAL 111          HG11      VAL 111   6.587  -6.022   3.902
  883   HG12  VAL 111          HG12      VAL 111   6.578  -6.769   2.305
  884   HG13  VAL 111          HG13      VAL 111   7.062  -7.710   3.715
  885   HG21  VAL 111          HG21      VAL 111   5.270  -9.411   3.018
  886   HG22  VAL 111          HG22      VAL 111   4.817  -8.359   1.676
  887   HG23  VAL 111          HG23      VAL 111   3.602  -8.861   2.853
  888    H    GLN 112           HN       GLN 112   2.586  -6.207   4.878
  889    HA   GLN 112           HA       GLN 112   0.845  -8.417   5.722
  890    HB2  GLN 112           HB2      GLN 112   0.128  -5.487   5.584
  891    HB3  GLN 112           HB1      GLN 112  -0.821  -6.773   6.310
  892    HG2  GLN 112           HG2      GLN 112   1.077  -7.122   7.913
  893    HG3  GLN 112           HG1      GLN 112   1.783  -5.639   7.278
  894   HE21  GLN 112          HE21      GLN 112  -0.962  -4.489   6.891
  895   HE22  GLN 112          HE22      GLN 112  -1.443  -4.008   8.485
  896    H    ILE 113           HN       ILE 113   0.101  -9.529   4.020
  897    HA   ILE 113           HA       ILE 113  -0.441  -8.157   1.532
  898    HB   ILE 113           HB       ILE 113  -0.745 -11.069   2.277
  899   HG12  ILE 113          HG12      ILE 113   1.206  -9.533   0.551
  900   HG13  ILE 113          HG11      ILE 113   1.560 -10.445   2.014
  901   HG21  ILE 113          HG21      ILE 113  -1.264 -11.484  -0.077
  902   HG22  ILE 113          HG22      ILE 113  -1.248  -9.749  -0.391
  903   HG23  ILE 113          HG23      ILE 113  -2.478 -10.442   0.668
  904   HD11  ILE 113          HD11      ILE 113   2.319 -11.680   0.110
  905   HD12  ILE 113          HD12      ILE 113   0.736 -11.555  -0.657
  906   HD13  ILE 113          HD13      ILE 113   0.932 -12.517   0.807
  907    H    GLN 114           HN       GLN 114  -2.313  -7.334   1.009
  908    HA   GLN 114           HA       GLN 114  -4.560  -7.743   2.826
  909    HB2  GLN 114           HB2      GLN 114  -3.469  -5.453   2.213
  910    HB3  GLN 114           HB1      GLN 114  -4.387  -5.609   0.722
  911    HG2  GLN 114           HG2      GLN 114  -6.437  -5.526   1.850
  912    HG3  GLN 114           HG1      GLN 114  -5.679  -5.813   3.417
  913   HE21  GLN 114          HE21      GLN 114  -4.545  -4.143   4.420
  914   HE22  GLN 114          HE22      GLN 114  -4.763  -2.487   3.961
  915    H    THR 115           HN       THR 115  -6.159  -9.017   2.174
  916    HA   THR 115           HA       THR 115  -6.421  -9.531  -0.707
  917    HB   THR 115           HB       THR 115  -7.194 -11.800  -0.127
  918    HG1  THR 115           HG1      THR 115  -7.986 -11.538   1.947
  919   HG21  THR 115          HG21      THR 115  -5.033 -12.694   0.608
  920   HG22  THR 115          HG22      THR 115  -4.532 -11.073   1.093
  921   HG23  THR 115          HG23      THR 115  -4.828 -11.433  -0.608
  922    H    TYR 116           HN       TYR 116  -8.487  -9.944  -1.532
  923    HA   TYR 116           HA       TYR 116 -10.766  -9.325   0.216
  924    HB2  TYR 116           HB2      TYR 116 -10.534  -7.445  -1.246
  925    HB3  TYR 116           HB1      TYR 116 -10.251  -8.477  -2.641
  926    HD1  TYR 116           HD1      TYR 116 -12.868  -7.508  -0.169
  927    HD2  TYR 116           HD2      TYR 116 -12.019  -9.112  -4.017
  928    HE1  TYR 116           HE1      TYR 116 -15.258  -7.392  -0.744
  929    HE2  TYR 116           HE2      TYR 116 -14.401  -9.000  -4.599
  930    HH   TYR 116           HH       TYR 116 -16.610  -7.211  -3.008
  931    H    GLU 117           HN       GLU 117 -11.573 -11.283   0.587
  932    HA   GLU 117           HA       GLU 117 -12.478 -13.336   0.288
  933    HB2  GLU 117           HB2      GLU 117 -13.938 -11.932  -1.248
  934    HB3  GLU 117           HB1      GLU 117 -12.952 -12.515  -2.579
  935    HG2  GLU 117           HG2      GLU 117 -13.647 -14.768  -2.197
  936    HG3  GLU 117           HG1      GLU 117 -14.473 -14.311  -0.707
  937    H    GLY 118           HN       GLY 118  -9.739 -13.135   0.100
  938    HA2  GLY 118           HA2      GLY 118  -8.147 -14.827  -0.228
  939    HA3  GLY 118           HA1      GLY 118  -9.176 -15.527  -1.467
  940    H    GLU 119           HN       GLU 119  -9.392 -12.721  -2.669
  941    HA   GLU 119           HA       GLU 119  -7.186 -13.143  -4.483
  942    HB2  GLU 119           HB2      GLU 119  -9.468 -12.656  -5.294
  943    HB3  GLU 119           HB1      GLU 119  -9.386 -11.070  -4.540
  944    HG2  GLU 119           HG2      GLU 119  -7.630 -10.390  -6.020
  945    HG3  GLU 119           HG1      GLU 119  -7.510 -12.014  -6.694
  946    H    THR 120           HN       THR 120  -5.319 -12.037  -4.510
  947    HA   THR 120           HA       THR 120  -4.685 -10.177  -2.477
  948    HB   THR 120           HB       THR 120  -2.915 -11.520  -3.386
  949    HG1  THR 120           HG1      THR 120  -2.293  -8.961  -4.407
  950   HG21  THR 120          HG21      THR 120  -2.101 -11.288  -5.678
  951   HG22  THR 120          HG22      THR 120  -3.391 -10.138  -6.031
  952   HG23  THR 120          HG23      THR 120  -3.782 -11.817  -5.664
  953    H    ILE 121           HN       ILE 121  -5.215  -8.099  -2.347
  954    HA   ILE 121           HA       ILE 121  -5.791  -6.659  -4.841
  955    HB   ILE 121           HB       ILE 121  -7.137  -5.109  -3.531
  956   HG12  ILE 121          HG12      ILE 121  -6.402  -6.889  -1.197
  957   HG13  ILE 121          HG11      ILE 121  -5.959  -5.200  -1.404
  958   HG21  ILE 121          HG21      ILE 121  -7.822  -8.009  -3.100
  959   HG22  ILE 121          HG22      ILE 121  -8.241  -7.017  -4.498
  960   HG23  ILE 121          HG23      ILE 121  -8.953  -6.668  -2.923
  961   HD11  ILE 121          HD11      ILE 121  -7.728  -5.320   0.174
  962   HD12  ILE 121          HD12      ILE 121  -8.696  -6.324  -0.903
  963   HD13  ILE 121          HD13      ILE 121  -8.384  -4.640  -1.315
  964    H    GLY 122           HN       GLY 122  -3.767  -6.703  -2.022
  965    HA2  GLY 122           HA2      GLY 122  -2.002  -4.786  -3.194
  966    HA3  GLY 122           HA1      GLY 122  -2.890  -4.099  -1.845
  967    H    VAL 123           HN       VAL 123  -0.159  -4.278  -1.798
  968    HA   VAL 123           HA       VAL 123   0.224  -6.211   0.379
  969    HB   VAL 123           HB       VAL 123   2.272  -5.587  -1.758
  970   HG11  VAL 123          HG11      VAL 123   2.446  -7.336   0.694
  971   HG12  VAL 123          HG12      VAL 123   3.338  -5.843   0.399
  972   HG13  VAL 123          HG13      VAL 123   3.656  -7.269  -0.588
  973   HG21  VAL 123          HG21      VAL 123   2.091  -7.972  -2.314
  974   HG22  VAL 123          HG22      VAL 123   0.561  -7.128  -2.548
  975   HG23  VAL 123          HG23      VAL 123   0.799  -8.145  -1.128
  976    H    GLU 124           HN       GLU 124   0.679  -5.185   2.186
  977    HA   GLU 124           HA       GLU 124   1.523  -2.406   2.068
  978    HB2  GLU 124           HB2      GLU 124   0.744  -4.067   4.458
  979    HB3  GLU 124           HB1      GLU 124   0.940  -2.325   4.413
  980    HG2  GLU 124           HG2      GLU 124  -0.950  -2.139   2.885
  981    HG3  GLU 124           HG1      GLU 124  -1.147  -3.892   2.920
  982    H    LEU 125           HN       LEU 125   3.663  -2.260   1.770
  983    HA   LEU 125           HA       LEU 125   5.560  -3.894   3.182
  984    HB2  LEU 125           HB2      LEU 125   5.992  -1.290   1.700
  985    HB3  LEU 125           HB1      LEU 125   7.237  -2.428   2.179
  986    HG   LEU 125           HG       LEU 125   5.066  -2.994   0.154
  987   HD11  LEU 125          HD11      LEU 125   6.846  -2.851  -1.500
  988   HD12  LEU 125          HD12      LEU 125   7.998  -2.409  -0.240
  989   HD13  LEU 125          HD13      LEU 125   6.667  -1.323  -0.637
  990   HD21  LEU 125          HD21      LEU 125   5.802  -5.003   1.301
  991   HD22  LEU 125          HD22      LEU 125   7.487  -4.588   0.986
  992   HD23  LEU 125          HD23      LEU 125   6.410  -4.983  -0.354
  993    HA   PRO 126           HA       PRO 126   5.569  -1.678   7.049
  994    HB2  PRO 126           HB2      PRO 126   8.307  -1.877   7.531
  995    HB3  PRO 126           HB1      PRO 126   7.093  -3.069   8.005
  996    HG2  PRO 126           HG2      PRO 126   8.908  -3.049   5.640
  997    HG3  PRO 126           HG1      PRO 126   8.378  -4.414   6.639
  998    HD2  PRO 126           HD2      PRO 126   7.329  -3.988   4.219
  999    HD3  PRO 126           HD1      PRO 126   6.319  -4.558   5.566
 1000    H    LYS 127           HN       LYS 127   5.669   0.404   7.463
 1001    HA   LYS 127           HA       LYS 127   6.118   2.197   5.420
 1002    HB2  LYS 127           HB2      LYS 127   6.040   2.769   8.380
 1003    HB3  LYS 127           HB1      LYS 127   5.813   3.956   7.104
 1004    HG2  LYS 127           HG2      LYS 127   3.801   2.828   6.370
 1005    HG3  LYS 127           HG1      LYS 127   4.043   1.566   7.579
 1006    HD2  LYS 127           HD2      LYS 127   3.825   3.229   9.357
 1007    HD3  LYS 127           HD1      LYS 127   3.590   4.491   8.148
 1008    HE2  LYS 127           HE2      LYS 127   1.570   3.345   7.362
 1009    HE3  LYS 127           HE1      LYS 127   1.799   2.109   8.597
 1010    HZ1  LYS 127           HZ1      LYS 127   1.566   3.824  10.292
 1011    HZ2  LYS 127           HZ2      LYS 127   0.194   3.752   9.309
 1012    HZ3  LYS 127           HZ3      LYS 127   1.320   4.995   9.098
 1013    H    THR 128           HN       THR 128   8.355   1.193   7.943
 1014    HA   THR 128           HA       THR 128  10.329   3.020   6.754
 1015    HB   THR 128           HB       THR 128  11.551   2.751   8.977
 1016    HG1  THR 128           HG1      THR 128  10.021   0.932   9.552
 1017   HG21  THR 128          HG21      THR 128   8.863   4.134   8.945
 1018   HG22  THR 128          HG22      THR 128  10.382   4.809   8.355
 1019   HG23  THR 128          HG23      THR 128  10.175   4.474  10.075
 1020    H    VAL 129           HN       VAL 129  11.560   1.940   5.403
 1021    HA   VAL 129           HA       VAL 129  12.509  -0.742   6.164
 1022    HB   VAL 129           HB       VAL 129  11.180  -0.684   4.082
 1023   HG11  VAL 129          HG11      VAL 129  13.357   1.135   3.059
 1024   HG12  VAL 129          HG12      VAL 129  11.671   1.570   3.335
 1025   HG13  VAL 129          HG13      VAL 129  12.087   0.409   2.075
 1026   HG21  VAL 129          HG21      VAL 129  12.742  -1.886   2.649
 1027   HG22  VAL 129          HG22      VAL 129  12.935  -2.365   4.337
 1028   HG23  VAL 129          HG23      VAL 129  14.098  -1.266   3.594
 1029    H    GLU 130           HN       GLU 130  14.721  -1.155   6.104
 1030    HA   GLU 130           HA       GLU 130  16.421   1.223   5.784
 1031    HB2  GLU 130           HB2      GLU 130  17.174  -1.383   7.104
 1032    HB3  GLU 130           HB1      GLU 130  18.098   0.106   7.097
 1033    HG2  GLU 130           HG2      GLU 130  16.341   1.191   8.416
 1034    HG3  GLU 130           HG1      GLU 130  15.457  -0.336   8.462
 1035    H    LEU 131           HN       LEU 131  17.702   1.364   4.064
 1036    HA   LEU 131           HA       LEU 131  18.403  -1.118   2.647
 1037    HB2  LEU 131           HB2      LEU 131  17.642   1.531   1.414
 1038    HB3  LEU 131           HB1      LEU 131  18.278   0.166   0.519
 1039    HG   LEU 131           HG       LEU 131  15.619   0.334   1.933
 1040   HD11  LEU 131          HD11      LEU 131  16.397   0.060  -0.964
 1041   HD12  LEU 131          HD12      LEU 131  15.669   1.470  -0.192
 1042   HD13  LEU 131          HD13      LEU 131  14.750  -0.028  -0.341
 1043   HD21  LEU 131          HD21      LEU 131  16.915  -2.013   0.553
 1044   HD22  LEU 131          HD22      LEU 131  15.222  -1.935   1.042
 1045   HD23  LEU 131          HD23      LEU 131  16.495  -1.888   2.261
 1046    H    THR 132           HN       THR 132  20.504  -1.372   2.250
 1047    HA   THR 132           HA       THR 132  22.394   0.604   3.110
 1048    HB   THR 132           HB       THR 132  23.157  -1.704   1.356
 1049    HG1  THR 132           HG1      THR 132  21.603  -2.449   2.989
 1050   HG21  THR 132          HG21      THR 132  24.872  -0.134   2.164
 1051   HG22  THR 132          HG22      THR 132  25.111  -1.757   2.814
 1052   HG23  THR 132          HG23      THR 132  24.406  -0.496   3.827
 1053    H    VAL 133           HN       VAL 133  23.410   2.134   1.890
 1054    HA   VAL 133           HA       VAL 133  22.606   2.331  -0.894
 1055    HB   VAL 133           HB       VAL 133  22.408   4.376   0.342
 1056   HG11  VAL 133          HG11      VAL 133  25.339   4.111   0.978
 1057   HG12  VAL 133          HG12      VAL 133  23.998   4.004   2.116
 1058   HG13  VAL 133          HG13      VAL 133  24.352   5.535   1.312
 1059   HG21  VAL 133          HG21      VAL 133  23.748   5.886  -1.031
 1060   HG22  VAL 133          HG22      VAL 133  23.072   4.573  -1.996
 1061   HG23  VAL 133          HG23      VAL 133  24.771   4.537  -1.523
 1062    H    THR 134           HN       THR 134  23.724   1.184  -2.270
 1063    HA   THR 134           HA       THR 134  26.616   0.883  -1.889
 1064    HB   THR 134           HB       THR 134  26.312  -0.973  -3.630
 1065    HG1  THR 134           HG1      THR 134  24.291  -1.607  -4.102
 1066   HG21  THR 134          HG21      THR 134  25.548  -2.585  -1.934
 1067   HG22  THR 134          HG22      THR 134  24.993  -1.249  -0.926
 1068   HG23  THR 134          HG23      THR 134  26.712  -1.441  -1.270
 1069    H    GLU 135           HN       GLU 135  27.938   1.888  -3.186
 1070    HA   GLU 135           HA       GLU 135  28.835   3.065  -4.871
 1071    HB2  GLU 135           HB2      GLU 135  26.504   2.028  -6.487
 1072    HB3  GLU 135           HB1      GLU 135  27.863   2.925  -7.153
 1073    HG2  GLU 135           HG2      GLU 135  29.355   1.122  -6.210
 1074    HG3  GLU 135           HG1      GLU 135  27.887   0.200  -5.894
 1075    H    THR 136           HN       THR 136  28.542   4.914  -3.721
 1076    HA   THR 136           HA       THR 136  27.104   6.881  -5.273
 1077    HB   THR 136           HB       THR 136  25.500   6.344  -3.437
 1078    HG1  THR 136           HG1      THR 136  25.695   8.500  -4.346
 1079   HG21  THR 136          HG21      THR 136  27.014   5.731  -1.660
 1080   HG22  THR 136          HG22      THR 136  26.034   7.103  -1.144
 1081   HG23  THR 136          HG23      THR 136  27.706   7.352  -1.647
 1082    H    GLU 137           HN       GLU 137  28.218   8.882  -5.226
 1083    HA   GLU 137           HA       GLU 137  30.996   8.458  -4.554
 1084    HB2  GLU 137           HB2      GLU 137  29.661  10.784  -5.943
 1085    HB3  GLU 137           HB1      GLU 137  31.395  10.543  -5.788
 1086    HG2  GLU 137           HG2      GLU 137  31.165   8.426  -7.054
 1087    HG3  GLU 137           HG1      GLU 137  29.463   8.809  -7.307
 1088    HA   PRO 138           HA       PRO 138  30.558  11.061  -0.918
 1089    HB2  PRO 138           HB2      PRO 138  32.447   9.867   0.536
 1090    HB3  PRO 138           HB1      PRO 138  30.897   9.074   0.241
 1091    HG2  PRO 138           HG2      PRO 138  33.560   8.514  -0.937
 1092    HG3  PRO 138           HG1      PRO 138  32.207   7.412  -0.639
 1093    HD2  PRO 138           HD2      PRO 138  32.905   8.679  -3.097
 1094    HD3  PRO 138           HD1      PRO 138  31.480   7.675  -2.765
 1095    H    GLY 139           HN       GLY 139  32.366  12.181   0.449
 1096    HA2  GLY 139           HA2      GLY 139  34.361  13.384   0.565
 1097    HA3  GLY 139           HA1      GLY 139  34.779  12.800  -1.040
 1098    H    ILE 140           HN       ILE 140  31.703  14.264  -0.314
 1099    HA   ILE 140           HA       ILE 140  32.577  16.724  -1.658
 1100    HB   ILE 140           HB       ILE 140  31.375  15.563  -3.342
 1101   HG12  ILE 140          HG12      ILE 140  29.343  16.990  -3.667
 1102   HG13  ILE 140          HG11      ILE 140  29.578  17.612  -2.036
 1103   HG21  ILE 140          HG21      ILE 140  29.245  15.044  -1.285
 1104   HG22  ILE 140          HG22      ILE 140  30.282  13.862  -2.084
 1105   HG23  ILE 140          HG23      ILE 140  29.059  14.731  -3.011
 1106   HD11  ILE 140          HD11      ILE 140  30.445  19.142  -3.713
 1107   HD12  ILE 140          HD12      ILE 140  31.521  17.883  -4.319
 1108   HD13  ILE 140          HD13      ILE 140  31.740  18.522  -2.689
 1109    H    LYS 141           HN       LYS 141  32.665  18.042   0.033
 1110    HA   LYS 141           HA       LYS 141  30.219  18.796   1.370
 1111    HB2  LYS 141           HB2      LYS 141  31.143  16.854   2.695
 1112    HB3  LYS 141           HB1      LYS 141  32.571  17.825   3.012
 1113    HG2  LYS 141           HG2      LYS 141  31.132  19.501   4.126
 1114    HG3  LYS 141           HG1      LYS 141  29.754  18.426   3.888
 1115    HD2  LYS 141           HD2      LYS 141  32.256  17.723   5.418
 1116    HD3  LYS 141           HD1      LYS 141  30.742  18.248   6.147
 1117    HE2  LYS 141           HE2      LYS 141  31.079  15.792   4.432
 1118    HE3  LYS 141           HE1      LYS 141  31.039  15.798   6.193
 1119    HZ1  LYS 141           HZ1      LYS 141  28.837  16.640   4.390
 1120    HZ2  LYS 141           HZ2      LYS 141  28.792  16.722   6.076
 1121    HZ3  LYS 141           HZ3      LYS 141  28.896  15.221   5.308
 1122    H    GLY 142           HN       GLY 142  30.606  20.750   2.747
 1123    HA2  GLY 142           HA2      GLY 142  32.334  22.371   3.480
 1124    HA3  GLY 142           HA1      GLY 142  33.020  22.210   1.871
 1125    H    ASP 143           HN       ASP 143  30.341  22.148   0.634
 1126    HA   ASP 143           HA       ASP 143  29.809  25.032   0.773
 1127    HB2  ASP 143           HB2      ASP 143  28.831  24.822  -1.439
 1128    HB3  ASP 143           HB1      ASP 143  30.431  24.088  -1.445
 1129    H    THR 144           HN       THR 144  27.615  25.755   0.750
 1130    HA   THR 144           HA       THR 144  26.005  24.314   2.597
 1131    HB   THR 144           HB       THR 144  25.236  26.739   0.964
 1132    HG1  THR 144           HG1      THR 144  26.290  27.929   2.439
 1133   HG21  THR 144          HG21      THR 144  24.225  25.718   3.625
 1134   HG22  THR 144          HG22      THR 144  23.356  25.623   2.093
 1135   HG23  THR 144          HG23      THR 144  23.702  27.195   2.816
 1136    H    ALA 145           HN       ALA 145  25.529  22.355   1.602
 1137    HA   ALA 145           HA       ALA 145  24.073  22.245  -0.872
 1138    HB1  ALA 145           HB1      ALA 145  24.573  20.089   1.177
 1139    HB2  ALA 145           HB2      ALA 145  25.602  20.448  -0.209
 1140    HB3  ALA 145           HB3      ALA 145  23.963  19.847  -0.460
 1141    H    THR 146           HN       THR 146  22.419  23.783  -0.085
 1142    HA   THR 146           HA       THR 146  20.624  23.054   1.987
 1143    HB   THR 146           HB       THR 146  20.874  25.383   1.347
 1144    HG1  THR 146           HG1      THR 146  18.339  24.166   1.094
 1145   HG21  THR 146          HG21      THR 146  21.291  25.130  -1.035
 1146   HG22  THR 146          HG22      THR 146  19.943  26.235  -0.767
 1147   HG23  THR 146          HG23      THR 146  19.635  24.577  -1.284
 1148    H    GLY 147           HN       GLY 147  20.823  22.274  -1.388
 1149    HA2  GLY 147           HA2      GLY 147  18.712  20.327  -1.052
 1150    HA3  GLY 147           HA1      GLY 147  18.321  21.622  -2.172
 1151    H    ALA 148           HN       ALA 148  21.574  20.429  -1.796
 1152    HA   ALA 148           HA       ALA 148  21.536  19.583  -4.583
 1153    HB1  ALA 148           HB1      ALA 148  23.343  21.053  -3.876
 1154    HB2  ALA 148           HB2      ALA 148  23.965  19.487  -4.393
 1155    HB3  ALA 148           HB3      ALA 148  23.851  19.866  -2.676
 1156    H    THR 149           HN       THR 149  21.678  17.516  -5.234
 1157    HA   THR 149           HA       THR 149  22.218  15.450  -3.215
 1158    HB   THR 149           HB       THR 149  20.448  14.052  -4.383
 1159    HG1  THR 149           HG1      THR 149  20.346  15.700  -6.180
 1160   HG21  THR 149          HG21      THR 149  19.558  16.532  -2.903
 1161   HG22  THR 149          HG22      THR 149  20.060  15.007  -2.176
 1162   HG23  THR 149          HG23      THR 149  18.583  15.080  -3.136
 1163    H    LYS 150           HN       LYS 150  22.602  13.291  -4.290
 1164    HA   LYS 150           HA       LYS 150  23.803  13.537  -6.950
 1165    HB2  LYS 150           HB2      LYS 150  25.785  12.281  -6.170
 1166    HB3  LYS 150           HB1      LYS 150  25.626  13.847  -5.390
 1167    HG2  LYS 150           HG2      LYS 150  24.486  12.564  -3.486
 1168    HG3  LYS 150           HG1      LYS 150  25.192  11.126  -4.231
 1169    HD2  LYS 150           HD2      LYS 150  27.414  12.136  -4.074
 1170    HD3  LYS 150           HD1      LYS 150  26.710  13.575  -3.336
 1171    HE2  LYS 150           HE2      LYS 150  27.480  12.383  -1.506
 1172    HE3  LYS 150           HE1      LYS 150  25.776  11.933  -1.577
 1173    HZ1  LYS 150           HZ1      LYS 150  27.180  10.015  -1.211
 1174    HZ2  LYS 150           HZ2      LYS 150  28.042  10.340  -2.635
 1175    HZ3  LYS 150           HZ3      LYS 150  26.410   9.891  -2.719
 1176    H    SER 151           HN       SER 151  24.000  11.532  -8.070
 1177    HA   SER 151           HA       SER 151  21.710   9.891  -7.635
 1178    HB2  SER 151           HB2      SER 151  23.973   9.535  -9.614
 1179    HB3  SER 151           HB1      SER 151  22.378   8.787  -9.703
 1180    HG   SER 151           HG       SER 151  21.506  10.933  -9.845
 1181    H    ALA 152           HN       ALA 152  21.661   8.387  -6.145
 1182    HA   ALA 152           HA       ALA 152  24.056   6.715  -5.699
 1183    HB1  ALA 152           HB1      ALA 152  23.058   6.302  -3.436
 1184    HB2  ALA 152           HB2      ALA 152  21.860   7.540  -3.809
 1185    HB3  ALA 152           HB3      ALA 152  23.569   7.967  -3.721
 1186    H    THR 153           HN       THR 153  23.617   4.484  -5.090
 1187    HA   THR 153           HA       THR 153  20.981   3.517  -5.979
 1188    HB   THR 153           HB       THR 153  23.598   2.044  -6.346
 1189    HG1  THR 153           HG1      THR 153  22.170   3.825  -8.004
 1190   HG21  THR 153          HG21      THR 153  20.835   1.539  -7.467
 1191   HG22  THR 153          HG22      THR 153  21.616   0.601  -6.195
 1192   HG23  THR 153          HG23      THR 153  22.283   0.599  -7.828
 1193    H    VAL 154           HN       VAL 154  20.000   2.018  -4.649
 1194    HA   VAL 154           HA       VAL 154  21.465   1.358  -2.202
 1195    HB   VAL 154           HB       VAL 154  19.209   0.631  -1.316
 1196   HG11  VAL 154          HG11      VAL 154  18.444   2.950  -0.926
 1197   HG12  VAL 154          HG12      VAL 154  19.577   3.504  -2.161
 1198   HG13  VAL 154          HG13      VAL 154  20.180   2.755  -0.683
 1199   HG21  VAL 154          HG21      VAL 154  18.251   2.023  -3.819
 1200   HG22  VAL 154          HG22      VAL 154  17.230   1.528  -2.469
 1201   HG23  VAL 154          HG23      VAL 154  18.063   0.310  -3.434
 1202    H    GLU 155           HN       GLU 155  20.727  -0.862  -1.258
 1203    HA   GLU 155           HA       GLU 155  21.865  -2.824  -2.844
 1204    HB2  GLU 155           HB2      GLU 155  21.026  -4.427  -1.167
 1205    HB3  GLU 155           HB1      GLU 155  21.778  -3.013  -0.443
 1206    HG2  GLU 155           HG2      GLU 155  19.536  -2.056  -0.073
 1207    HG3  GLU 155           HG1      GLU 155  18.831  -3.550  -0.695
 1208    H    THR 156           HN       THR 156  18.541  -1.789  -2.740
 1209    HA   THR 156           HA       THR 156  17.451  -4.158  -3.889
 1210    HB   THR 156           HB       THR 156  15.406  -2.837  -4.237
 1211    HG1  THR 156           HG1      THR 156  15.374  -0.655  -3.777
 1212   HG21  THR 156          HG21      THR 156  16.662  -2.322  -1.542
 1213   HG22  THR 156          HG22      THR 156  15.892  -3.829  -2.031
 1214   HG23  THR 156          HG23      THR 156  14.937  -2.352  -1.904
 1215    H    GLY 157           HN       GLY 157  19.316  -1.673  -5.172
 1216    HA2  GLY 157           HA2      GLY 157  20.064  -1.555  -7.395
 1217    HA3  GLY 157           HA1      GLY 157  18.675  -2.513  -7.892
 1218    H    TYR 158           HN       TYR 158  17.652  -0.156  -5.808
 1219    HA   TYR 158           HA       TYR 158  16.436   1.337  -7.964
 1220    HB2  TYR 158           HB2      TYR 158  15.321   0.573  -5.757
 1221    HB3  TYR 158           HB1      TYR 158  16.157   1.941  -5.034
 1222    HD1  TYR 158           HD1      TYR 158  13.677   0.999  -7.613
 1223    HD2  TYR 158           HD2      TYR 158  15.280   4.137  -5.238
 1224    HE1  TYR 158           HE1      TYR 158  11.822   2.457  -8.296
 1225    HE2  TYR 158           HE2      TYR 158  13.431   5.606  -5.915
 1226    HH   TYR 158           HH       TYR 158  11.805   5.820  -7.711
 1227    H    THR 159           HN       THR 159  16.813   3.472  -8.448
 1228    HA   THR 159           HA       THR 159  19.288   4.604  -7.375
 1229    HB   THR 159           HB       THR 159  17.708   5.492  -9.793
 1230    HG1  THR 159           HG1      THR 159  19.294   4.322 -10.973
 1231   HG21  THR 159          HG21      THR 159  19.771   6.640 -10.428
 1232   HG22  THR 159          HG22      THR 159  20.548   6.078  -8.948
 1233   HG23  THR 159          HG23      THR 159  19.196   7.207  -8.860
 1234    H    LEU 160           HN       LEU 160  19.275   6.369  -6.084
 1235    HA   LEU 160           HA       LEU 160  16.860   8.046  -6.029
 1236    HB2  LEU 160           HB2      LEU 160  18.403   7.307  -3.546
 1237    HB3  LEU 160           HB1      LEU 160  16.925   8.237  -3.638
 1238    HG   LEU 160           HG       LEU 160  16.006   5.972  -4.688
 1239   HD11  LEU 160          HD11      LEU 160  16.977   4.053  -3.472
 1240   HD12  LEU 160          HD12      LEU 160  18.268   5.105  -2.897
 1241   HD13  LEU 160          HD13      LEU 160  18.101   4.778  -4.622
 1242   HD21  LEU 160          HD21      LEU 160  16.388   6.478  -1.741
 1243   HD22  LEU 160          HD22      LEU 160  15.199   5.388  -2.454
 1244   HD23  LEU 160          HD23      LEU 160  15.093   7.123  -2.749
 1245    H    ASN 161           HN       ASN 161  17.224  10.217  -5.348
 1246    HA   ASN 161           HA       ASN 161  19.973  11.125  -5.772
 1247    HB2  ASN 161           HB2      ASN 161  17.433  12.748  -5.416
 1248    HB3  ASN 161           HB1      ASN 161  19.010  13.382  -5.869
 1249   HD21  ASN 161          HD21      ASN 161  16.180  11.725  -6.923
 1250   HD22  ASN 161          HD22      ASN 161  16.553  11.719  -8.610
 1251    H    VAL 162           HN       VAL 162  21.107  10.831  -3.929
 1252    HA   VAL 162           HA       VAL 162  19.810  11.389  -1.365
 1253    HB   VAL 162           HB       VAL 162  21.716  10.234  -0.338
 1254   HG11  VAL 162          HG11      VAL 162  19.778   8.924  -0.981
 1255   HG12  VAL 162          HG12      VAL 162  21.253   7.982  -1.201
 1256   HG13  VAL 162          HG13      VAL 162  20.445   8.695  -2.598
 1257   HG21  VAL 162          HG21      VAL 162  23.369   9.080  -1.757
 1258   HG22  VAL 162          HG22      VAL 162  23.459  10.836  -1.907
 1259   HG23  VAL 162          HG23      VAL 162  22.686   9.884  -3.172
 1260    HA   PRO 163           HA       PRO 163  22.013  15.175  -0.581
 1261    HB2  PRO 163           HB2      PRO 163  22.503  14.041   2.127
 1262    HB3  PRO 163           HB1      PRO 163  21.755  15.575   1.670
 1263    HG2  PRO 163           HG2      PRO 163  20.281  13.544   2.575
 1264    HG3  PRO 163           HG1      PRO 163  19.689  14.610   1.286
 1265    HD2  PRO 163           HD2      PRO 163  20.779  11.837   1.108
 1266    HD3  PRO 163           HD1      PRO 163  19.468  12.600   0.184
 1267    H    LEU 164           HN       LEU 164  24.145  15.925  -0.192
 1268    HA   LEU 164           HA       LEU 164  26.007  14.239  -1.467
 1269    HB2  LEU 164           HB2      LEU 164  26.534  16.846  -0.051
 1270    HB3  LEU 164           HB1      LEU 164  27.540  16.098  -1.273
 1271    HG   LEU 164           HG       LEU 164  24.770  17.219  -1.694
 1272   HD11  LEU 164          HD11      LEU 164  25.869  18.926  -2.984
 1273   HD12  LEU 164          HD12      LEU 164  27.438  18.167  -2.713
 1274   HD13  LEU 164          HD13      LEU 164  26.560  18.880  -1.361
 1275   HD21  LEU 164          HD21      LEU 164  26.677  15.912  -3.633
 1276   HD22  LEU 164          HD22      LEU 164  25.220  16.796  -4.089
 1277   HD23  LEU 164          HD23      LEU 164  25.091  15.314  -3.143
 1278    H    PHE 165           HN       PHE 165  25.256  14.535   1.854
 1279    HA   PHE 165           HA       PHE 165  27.918  13.814   2.746
 1280    HB2  PHE 165           HB2      PHE 165  26.965  13.846   5.020
 1281    HB3  PHE 165           HB1      PHE 165  26.649  15.336   4.147
 1282    HD1  PHE 165           HD1      PHE 165  25.059  12.087   5.049
 1283    HD2  PHE 165           HD2      PHE 165  24.503  16.188   4.055
 1284    HE1  PHE 165           HE1      PHE 165  22.672  11.889   5.593
 1285    HE2  PHE 165           HE2      PHE 165  22.111  15.993   4.589
 1286    HZ   PHE 165           HZ       PHE 165  21.192  13.843   5.360
 1287    H    VAL 166           HN       VAL 166  25.360  12.112   1.483
 1288    HA   VAL 166           HA       VAL 166  25.478   9.805   3.188
 1289    HB   VAL 166           HB       VAL 166  24.287  10.146   0.433
 1290   HG11  VAL 166          HG11      VAL 166  24.080   7.835   2.363
 1291   HG12  VAL 166          HG12      VAL 166  24.854   7.815   0.779
 1292   HG13  VAL 166          HG13      VAL 166  23.107   8.029   0.904
 1293   HG21  VAL 166          HG21      VAL 166  22.149  10.122   1.664
 1294   HG22  VAL 166          HG22      VAL 166  23.174  11.483   2.116
 1295   HG23  VAL 166          HG23      VAL 166  23.045  10.083   3.181
 1296    H    ASN 167           HN       ASN 167  26.740   8.050   3.033
 1297    HA   ASN 167           HA       ASN 167  28.666   7.965   0.811
 1298    HB2  ASN 167           HB2      ASN 167  30.343   7.167   2.413
 1299    HB3  ASN 167           HB1      ASN 167  29.702   8.727   2.916
 1300   HD21  ASN 167          HD21      ASN 167  30.039   5.404   3.692
 1301   HD22  ASN 167          HD22      ASN 167  29.301   5.472   5.255
 1302    H    GLU 168           HN       GLU 168  29.259   5.918   0.036
 1303    HA   GLU 168           HA       GLU 168  27.145   4.030   0.156
 1304    HB2  GLU 168           HB2      GLU 168  28.628   2.649  -1.316
 1305    HB3  GLU 168           HB1      GLU 168  28.260   4.254  -1.920
 1306    HG2  GLU 168           HG2      GLU 168  30.446   5.040  -1.196
 1307    HG3  GLU 168           HG1      GLU 168  30.816   3.433  -0.567
 1308    H    GLY 169           HN       GLY 169  26.946   2.169   1.209
 1309    HA2  GLY 169           HA2      GLY 169  27.878   0.321   2.463
 1310    HA3  GLY 169           HA1      GLY 169  29.139   1.411   3.025
 1311    H    ASP 170           HN       ASP 170  26.867   3.478   3.244
 1312    HA   ASP 170           HA       ASP 170  26.224   2.881   6.000
 1313    HB2  ASP 170           HB2      ASP 170  26.914   5.172   5.102
 1314    HB3  ASP 170           HB1      ASP 170  25.311   5.269   4.383
 1315    H    VAL 171           HN       VAL 171  23.990   2.998   6.793
 1316    HA   VAL 171           HA       VAL 171  22.155   1.760   4.856
 1317    HB   VAL 171           HB       VAL 171  22.102   1.648   7.881
 1318   HG11  VAL 171          HG11      VAL 171  19.860   1.530   6.935
 1319   HG12  VAL 171          HG12      VAL 171  20.347  -0.036   7.587
 1320   HG13  VAL 171          HG13      VAL 171  20.375   0.242   5.845
 1321   HG21  VAL 171          HG21      VAL 171  23.952   0.373   6.936
 1322   HG22  VAL 171          HG22      VAL 171  22.839  -0.455   5.844
 1323   HG23  VAL 171          HG23      VAL 171  22.717  -0.706   7.586
 1324    H    LEU 172           HN       LEU 172  20.636   3.025   4.082
 1325    HA   LEU 172           HA       LEU 172  19.879   5.460   5.510
 1326    HB2  LEU 172           HB2      LEU 172  19.168   4.533   2.727
 1327    HB3  LEU 172           HB1      LEU 172  18.800   6.106   3.408
 1328    HG   LEU 172           HG       LEU 172  21.583   5.056   2.886
 1329   HD11  LEU 172          HD11      LEU 172  21.630   6.633   1.041
 1330   HD12  LEU 172          HD12      LEU 172  19.966   7.111   1.382
 1331   HD13  LEU 172          HD13      LEU 172  20.317   5.475   0.825
 1332   HD21  LEU 172          HD21      LEU 172  20.587   7.761   3.780
 1333   HD22  LEU 172          HD22      LEU 172  22.245   7.395   3.305
 1334   HD23  LEU 172          HD23      LEU 172  21.547   6.624   4.728
 1335    H    ILE 173           HN       ILE 173  17.763   5.920   6.128
 1336    HA   ILE 173           HA       ILE 173  15.937   3.626   6.120
 1337    HB   ILE 173           HB       ILE 173  15.545   6.242   7.579
 1338   HG12  ILE 173          HG12      ILE 173  16.750   3.680   8.663
 1339   HG13  ILE 173          HG11      ILE 173  17.666   5.135   8.285
 1340   HG21  ILE 173          HG21      ILE 173  14.356   3.497   7.984
 1341   HG22  ILE 173          HG22      ILE 173  13.540   4.883   7.264
 1342   HG23  ILE 173          HG23      ILE 173  14.011   4.923   8.963
 1343   HD11  ILE 173          HD11      ILE 173  15.504   4.896  10.364
 1344   HD12  ILE 173          HD12      ILE 173  16.404   6.363   9.980
 1345   HD13  ILE 173          HD13      ILE 173  17.240   4.968  10.662
 1346    H    ILE 174           HN       ILE 174  14.056   3.656   4.934
 1347    HA   ILE 174           HA       ILE 174  13.287   6.206   3.680
 1348    HB   ILE 174           HB       ILE 174  13.459   3.561   2.216
 1349   HG12  ILE 174          HG12      ILE 174  15.091   6.085   1.853
 1350   HG13  ILE 174          HG11      ILE 174  15.663   4.622   2.648
 1351   HG21  ILE 174          HG21      ILE 174  11.579   4.938   1.468
 1352   HG22  ILE 174          HG22      ILE 174  12.832   4.841   0.230
 1353   HG23  ILE 174          HG23      ILE 174  12.673   6.298   1.211
 1354   HD11  ILE 174          HD11      ILE 174  15.366   3.398   0.539
 1355   HD12  ILE 174          HD12      ILE 174  16.506   4.736   0.399
 1356   HD13  ILE 174          HD13      ILE 174  14.870   4.901  -0.239
 1357    H    ASN 175           HN       ASN 175  11.129   6.565   3.612
 1358    HA   ASN 175           HA       ASN 175   9.377   4.635   4.871
 1359    HB2  ASN 175           HB2      ASN 175   9.115   7.026   5.406
 1360    HB3  ASN 175           HB1      ASN 175   8.796   7.374   3.711
 1361   HD21  ASN 175          HD21      ASN 175   7.527   6.012   6.642
 1362   HD22  ASN 175          HD22      ASN 175   5.883   5.911   6.118
 1363    H    THR 176           HN       THR 176   8.995   2.931   3.545
 1364    HA   THR 176           HA       THR 176   8.556   3.404   0.709
 1365    HB   THR 176           HB       THR 176   9.922   1.467   1.333
 1366    HG1  THR 176           HG1      THR 176   8.529  -0.139   0.164
 1367   HG21  THR 176          HG21      THR 176   8.877   0.887   3.454
 1368   HG22  THR 176          HG22      THR 176   8.890  -0.504   2.369
 1369   HG23  THR 176          HG23      THR 176   7.402   0.411   2.612
 1370    H    GLY 177           HN       GLY 177   6.671   2.430  -0.373
 1371    HA2  GLY 177           HA2      GLY 177   4.347   2.000  -0.433
 1372    HA3  GLY 177           HA1      GLY 177   4.252   2.432   1.271
 1373    H    ASP 178           HN       ASP 178   5.391   4.846   1.415
 1374    HA   ASP 178           HA       ASP 178   3.628   6.525  -0.202
 1375    HB2  ASP 178           HB2      ASP 178   3.480   6.857   2.196
 1376    HB3  ASP 178           HB1      ASP 178   5.210   7.151   2.296
 1377    H    GLY 179           HN       GLY 179   7.029   6.214   0.761
 1378    HA2  GLY 179           HA2      GLY 179   8.693   6.243  -0.975
 1379    HA3  GLY 179           HA1      GLY 179   7.713   7.417  -1.837
 1380    H    SER 180           HN       SER 180   7.741   8.205   1.391
 1381    HA   SER 180           HA       SER 180   9.290  10.529   0.970
 1382    HB2  SER 180           HB2      SER 180   8.163   9.276   3.475
 1383    HB3  SER 180           HB1      SER 180   8.992  10.831   3.456
 1384    HG   SER 180           HG       SER 180   6.509  10.110   2.320
 1385    H    TYR 181           HN       TYR 181  11.390  10.974   1.402
 1386    HA   TYR 181           HA       TYR 181  13.114   8.717   1.967
 1387    HB2  TYR 181           HB2      TYR 181  13.687  10.186   0.103
 1388    HB3  TYR 181           HB1      TYR 181  13.741  11.571   1.184
 1389    HD1  TYR 181           HD1      TYR 181  15.370   8.275   0.564
 1390    HD2  TYR 181           HD2      TYR 181  15.760  12.199   2.167
 1391    HE1  TYR 181           HE1      TYR 181  17.774   7.888   0.917
 1392    HE2  TYR 181           HE2      TYR 181  18.161  11.819   2.530
 1393    HH   TYR 181           HH       TYR 181  19.813   9.112   1.203
 1394    H    ILE 182           HN       ILE 182  14.258   8.394   3.756
 1395    HA   ILE 182           HA       ILE 182  14.072  10.388   5.915
 1396    HB   ILE 182           HB       ILE 182  14.311   7.378   6.209
 1397   HG12  ILE 182          HG12      ILE 182  11.901   9.152   6.676
 1398   HG13  ILE 182          HG11      ILE 182  12.118   8.101   5.282
 1399   HG21  ILE 182          HG21      ILE 182  15.300   8.603   8.067
 1400   HG22  ILE 182          HG22      ILE 182  13.819   7.790   8.572
 1401   HG23  ILE 182          HG23      ILE 182  13.811   9.526   8.269
 1402   HD11  ILE 182          HD11      ILE 182  11.987   7.154   8.133
 1403   HD12  ILE 182          HD12      ILE 182  12.042   6.153   6.681
 1404   HD13  ILE 182          HD13      ILE 182  10.632   7.162   7.004
 1405    H    SER 183           HN       SER 183  15.968  10.478   7.323
 1406    HA   SER 183           HA       SER 183  18.359  10.442   5.752
 1407    HB2  SER 183           HB2      SER 183  19.385  11.346   7.885
 1408    HB3  SER 183           HB1      SER 183  18.058  12.297   7.222
 1409    HG   SER 183           HG       SER 183  17.942  11.912   9.525
 1410    H    ARG 184           HN       ARG 184  20.451   9.638   7.007
 1411    HA   ARG 184           HA       ARG 184  20.341   6.865   6.753
 1412    HB2  ARG 184           HB2      ARG 184  22.629   6.821   7.273
 1413    HB3  ARG 184           HB1      ARG 184  22.377   8.397   6.538
 1414    HG2  ARG 184           HG2      ARG 184  22.427   9.469   8.682
 1415    HG3  ARG 184           HG1      ARG 184  22.478   7.911   9.507
 1416    HD2  ARG 184           HD2      ARG 184  24.697   8.572   9.544
 1417    HD3  ARG 184           HD1      ARG 184  24.633   7.525   8.128
 1418    HE   ARG 184           HE       ARG 184  24.350  10.425   7.781
 1419   HH11  ARG 184          HH11      ARG 184  26.180   7.475   7.255
 1420   HH12  ARG 184          HH12      ARG 184  27.331   8.234   6.190
 1421   HH21  ARG 184          HH21      ARG 184  25.880  11.412   6.395
 1422   HH22  ARG 184          HH22      ARG 184  27.151  10.462   5.695
 1423    H    GLY 185           HN       GLY 185  20.872   5.224   8.328
 1424    HA2  GLY 185           HA2      GLY 185  19.839   5.862  11.019
 1425    HA3  GLY 185           HA1      GLY 185  19.464   4.359  10.183
  Start of MODEL   10
    1    H1   MET   1           HT1      MET   1 -26.841  -3.304   7.042
    2    H2   MET   1           HT2      MET   1 -26.290  -4.808   6.505
    3    H3   MET   1           HT3      MET   1 -25.801  -3.398   5.715
    4    HA   MET   1           HA       MET   1 -25.138  -4.143   8.499
    5    HB2  MET   1           HB2      MET   1 -23.422  -4.070   6.009
    6    HB3  MET   1           HB1      MET   1 -22.805  -4.289   7.636
    7    HG2  MET   1           HG2      MET   1 -24.058  -6.364   7.845
    8    HG3  MET   1           HG1      MET   1 -24.711  -6.141   6.224
    9    HE1  MET   1           HE1      MET   1 -20.271  -6.987   7.173
   10    HE2  MET   1           HE2      MET   1 -21.543  -6.841   8.385
   11    HE3  MET   1           HE3      MET   1 -21.012  -5.419   7.488
   12    H    ILE   2           HN       ILE   2 -24.022  -1.990   5.850
   13    HA   ILE   2           HA       ILE   2 -23.699   0.099   7.902
   14    HB   ILE   2           HB       ILE   2 -22.097  -0.249   5.367
   15   HG12  ILE   2          HG12      ILE   2 -21.355  -0.669   8.271
   16   HG13  ILE   2          HG11      ILE   2 -21.529  -1.925   7.051
   17   HG21  ILE   2          HG21      ILE   2 -22.374   2.101   5.955
   18   HG22  ILE   2          HG22      ILE   2 -20.711   1.579   6.225
   19   HG23  ILE   2          HG23      ILE   2 -21.807   1.767   7.592
   20   HD11  ILE   2          HD11      ILE   2 -19.205  -1.488   7.418
   21   HD12  ILE   2          HD12      ILE   2 -19.442   0.236   7.131
   22   HD13  ILE   2          HD13      ILE   2 -19.649  -0.912   5.810
   23    H    SER   3           HN       SER   3 -24.584   2.034   7.588
   24    HA   SER   3           HA       SER   3 -25.867   2.606   5.001
   25    HB2  SER   3           HB2      SER   3 -27.480   2.304   6.883
   26    HB3  SER   3           HB1      SER   3 -26.680   3.616   7.747
   27    HG   SER   3           HG       SER   3 -28.131   3.752   5.312
   28    H    VAL   4           HN       VAL   4 -26.106   5.065   4.714
   29    HA   VAL   4           HA       VAL   4 -23.436   5.955   4.397
   30    HB   VAL   4           HB       VAL   4 -24.366   7.902   3.299
   31   HG11  VAL   4          HG11      VAL   4 -25.913   5.402   2.631
   32   HG12  VAL   4          HG12      VAL   4 -24.299   5.811   2.051
   33   HG13  VAL   4          HG13      VAL   4 -25.685   6.789   1.567
   34   HG21  VAL   4          HG21      VAL   4 -26.183   8.374   4.872
   35   HG22  VAL   4          HG22      VAL   4 -27.053   6.954   4.293
   36   HG23  VAL   4          HG23      VAL   4 -26.769   8.316   3.209
   37    H    ASN   5           HN       ASN   5 -25.413   6.205   7.070
   38    HA   ASN   5           HA       ASN   5 -24.610   8.894   7.795
   39    HB2  ASN   5           HB2      ASN   5 -26.345   6.842   9.160
   40    HB3  ASN   5           HB1      ASN   5 -25.910   8.371   9.917
   41   HD21  ASN   5          HD21      ASN   5 -28.517   7.326   9.105
   42   HD22  ASN   5          HD22      ASN   5 -29.183   8.505   8.027
   43    H    ASP   6           HN       ASP   6 -23.077   5.972   7.915
   44    HA   ASP   6           HA       ASP   6 -21.471   6.895  10.187
   45    HB2  ASP   6           HB2      ASP   6 -23.050   5.170  11.011
   46    HB3  ASP   6           HB1      ASP   6 -22.350   4.026   9.869
   47    H    PHE   7           HN       PHE   7 -19.820   7.517   8.890
   48    HA   PHE   7           HA       PHE   7 -18.255   5.332   7.689
   49    HB2  PHE   7           HB2      PHE   7 -18.535   8.218   6.852
   50    HB3  PHE   7           HB1      PHE   7 -17.157   7.249   6.351
   51    HD1  PHE   7           HD1      PHE   7 -20.689   7.929   5.865
   52    HD2  PHE   7           HD2      PHE   7 -17.477   5.336   4.848
   53    HE1  PHE   7           HE1      PHE   7 -21.980   7.080   3.960
   54    HE2  PHE   7           HE2      PHE   7 -18.765   4.479   2.939
   55    HZ   PHE   7           HZ       PHE   7 -21.025   5.349   2.496
   56    H    LYS   8           HN       LYS   8 -15.877   5.658   7.883
   57    HA   LYS   8           HA       LYS   8 -15.102   7.430  10.077
   58    HB2  LYS   8           HB2      LYS   8 -13.720   5.483  11.011
   59    HB3  LYS   8           HB1      LYS   8 -15.448   5.475  11.321
   60    HG2  LYS   8           HG2      LYS   8 -15.794   3.849   9.568
   61    HG3  LYS   8           HG1      LYS   8 -14.085   3.913   9.139
   62    HD2  LYS   8           HD2      LYS   8 -14.616   1.939  10.494
   63    HD3  LYS   8           HD1      LYS   8 -13.481   3.008  11.312
   64    HE2  LYS   8           HE2      LYS   8 -15.152   2.182  12.866
   65    HE3  LYS   8           HE1      LYS   8 -15.313   3.922  12.655
   66    HZ1  LYS   8           HZ1      LYS   8 -17.447   2.725  12.650
   67    HZ2  LYS   8           HZ2      LYS   8 -16.977   1.909  11.249
   68    HZ3  LYS   8           HZ3      LYS   8 -17.179   3.586  11.223
   69    H    THR   9           HN       THR   9 -12.617   7.324  10.364
   70    HA   THR   9           HA       THR   9 -11.565   8.347   7.972
   71    HB   THR   9           HB       THR   9 -10.791   9.100  10.181
   72    HG1  THR   9           HG1      THR   9  -8.952   8.123   8.268
   73   HG21  THR   9          HG21      THR   9  -9.149   7.759  11.435
   74   HG22  THR   9          HG22      THR   9  -9.403   6.418  10.317
   75   HG23  THR   9          HG23      THR   9 -10.721   6.964  11.355
   76    H    GLY  10           HN       GLY  10 -11.685   5.126   9.120
   77    HA2  GLY  10           HA2      GLY  10 -10.580   4.407   6.521
   78    HA3  GLY  10           HA1      GLY  10  -9.925   3.591   7.938
   79    H    LEU  11           HN       LEU  11 -12.263   3.532   5.595
   80    HA   LEU  11           HA       LEU  11 -13.455   1.176   6.782
   81    HB2  LEU  11           HB2      LEU  11 -14.945   2.939   7.537
   82    HB3  LEU  11           HB1      LEU  11 -15.073   3.577   5.912
   83    HG   LEU  11           HG       LEU  11 -16.243   1.520   5.208
   84   HD11  LEU  11          HD11      LEU  11 -17.039  -0.051   6.916
   85   HD12  LEU  11          HD12      LEU  11 -16.066   0.786   8.126
   86   HD13  LEU  11          HD13      LEU  11 -15.280  -0.049   6.785
   87   HD21  LEU  11          HD21      LEU  11 -17.458   2.878   7.610
   88   HD22  LEU  11          HD22      LEU  11 -18.334   1.961   6.384
   89   HD23  LEU  11          HD23      LEU  11 -17.519   3.463   5.948
   90    H    THR  12           HN       THR  12 -13.715  -0.353   5.256
   91    HA   THR  12           HA       THR  12 -13.158   0.442   2.505
   92    HB   THR  12           HB       THR  12 -12.919  -2.133   2.261
   93    HG1  THR  12           HG1      THR  12 -13.132  -3.212   4.066
   94   HG21  THR  12          HG21      THR  12 -10.578  -1.989   3.033
   95   HG22  THR  12          HG22      THR  12 -10.955  -0.458   3.821
   96   HG23  THR  12          HG23      THR  12 -11.059  -0.597   2.065
   97    H    ILE  13           HN       ILE  13 -14.573   0.309   0.935
   98    HA   ILE  13           HA       ILE  13 -17.083  -1.150   1.394
   99    HB   ILE  13           HB       ILE  13 -16.824   1.602   0.159
  100   HG12  ILE  13          HG12      ILE  13 -18.650   1.985   2.035
  101   HG13  ILE  13          HG11      ILE  13 -17.848   0.605   2.778
  102   HG21  ILE  13          HG21      ILE  13 -19.278  -0.120   0.433
  103   HG22  ILE  13          HG22      ILE  13 -18.443   0.272  -1.070
  104   HG23  ILE  13          HG23      ILE  13 -19.243   1.545  -0.149
  105   HD11  ILE  13          HD11      ILE  13 -16.981   2.724   3.603
  106   HD12  ILE  13          HD12      ILE  13 -16.517   3.173   1.962
  107   HD13  ILE  13          HD13      ILE  13 -15.741   1.801   2.757
  108    H    SER  14           HN       SER  14 -17.806  -2.335  -0.310
  109    HA   SER  14           HA       SER  14 -16.173  -2.328  -2.725
  110    HB2  SER  14           HB2      SER  14 -17.613  -4.400  -3.226
  111    HB3  SER  14           HB1      SER  14 -16.501  -4.519  -1.865
  112    HG   SER  14           HG       SER  14 -19.189  -3.702  -1.532
  113    H    VAL  15           HN       VAL  15 -16.773  -0.960  -4.262
  114    HA   VAL  15           HA       VAL  15 -19.529  -0.856  -5.136
  115    HB   VAL  15           HB       VAL  15 -19.473   0.894  -3.407
  116   HG11  VAL  15          HG11      VAL  15 -18.096   2.906  -3.708
  117   HG12  VAL  15          HG12      VAL  15 -17.274   2.122  -5.057
  118   HG13  VAL  15          HG13      VAL  15 -17.128   1.460  -3.429
  119   HG21  VAL  15          HG21      VAL  15 -20.273   2.774  -4.763
  120   HG22  VAL  15          HG22      VAL  15 -20.923   1.233  -5.320
  121   HG23  VAL  15          HG23      VAL  15 -19.608   2.007  -6.205
  122    H    ASP  16           HN       ASP  16 -19.732  -0.091  -7.277
  123    HA   ASP  16           HA       ASP  16 -19.110   0.129  -9.448
  124    HB2  ASP  16           HB2      ASP  16 -16.844   1.574  -8.100
  125    HB3  ASP  16           HB1      ASP  16 -16.822   1.309  -9.839
  126    H    ASN  17           HN       ASN  17 -18.458  -2.270  -7.973
  127    HA   ASN  17           HA       ASN  17 -17.422  -4.258  -8.290
  128    HB2  ASN  17           HB2      ASN  17 -16.707  -2.963 -10.911
  129    HB3  ASN  17           HB1      ASN  17 -16.270  -4.621 -10.522
  130   HD21  ASN  17          HD21      ASN  17 -17.513  -5.368 -12.249
  131   HD22  ASN  17          HD22      ASN  17 -19.238  -5.433 -12.164
  132    H    ALA  18           HN       ALA  18 -16.035  -1.922  -7.066
  133    HA   ALA  18           HA       ALA  18 -13.348  -3.086  -7.105
  134    HB1  ALA  18           HB1      ALA  18 -12.356  -0.830  -7.041
  135    HB2  ALA  18           HB2      ALA  18 -13.962  -0.136  -7.285
  136    HB3  ALA  18           HB3      ALA  18 -13.232  -1.133  -8.543
  137    H    ILE  19           HN       ILE  19 -12.061  -2.192  -5.227
  138    HA   ILE  19           HA       ILE  19 -13.823  -1.957  -2.884
  139    HB   ILE  19           HB       ILE  19 -11.930  -3.038  -1.611
  140   HG12  ILE  19          HG12      ILE  19 -11.020  -3.692  -4.423
  141   HG13  ILE  19          HG11      ILE  19 -10.157  -2.697  -3.254
  142   HG21  ILE  19          HG21      ILE  19 -12.587  -5.310  -2.280
  143   HG22  ILE  19          HG22      ILE  19 -13.316  -4.659  -3.748
  144   HG23  ILE  19          HG23      ILE  19 -13.978  -4.232  -2.170
  145   HD11  ILE  19          HD11      ILE  19 -10.745  -5.631  -2.999
  146   HD12  ILE  19          HD12      ILE  19  -9.902  -4.643  -1.807
  147   HD13  ILE  19          HD13      ILE  19  -9.190  -4.903  -3.400
  148    H    TRP  20           HN       TRP  20 -13.520  -0.251  -1.597
  149    HA   TRP  20           HA       TRP  20 -11.164   1.439  -2.119
  150    HB2  TRP  20           HB2      TRP  20 -13.937   2.510  -1.633
  151    HB3  TRP  20           HB1      TRP  20 -12.522   3.393  -2.184
  152    HD1  TRP  20           HD1      TRP  20 -15.063   0.782  -3.468
  153    HE1  TRP  20           HE1      TRP  20 -15.196   0.973  -6.023
  154    HE3  TRP  20           HE3      TRP  20 -11.353   4.224  -4.207
  155    HZ2  TRP  20           HZ2      TRP  20 -13.897   2.396  -8.085
  156    HZ3  TRP  20           HZ3      TRP  20 -10.865   4.945  -6.508
  157    HH2  TRP  20           HH2      TRP  20 -12.112   4.050  -8.404
  158    H    LYS  21           HN       LYS  21 -10.609   2.907  -0.414
  159    HA   LYS  21           HA       LYS  21 -11.753   2.220   2.210
  160    HB2  LYS  21           HB2      LYS  21  -9.496   1.338   2.129
  161    HB3  LYS  21           HB1      LYS  21  -8.883   2.884   1.551
  162    HG2  LYS  21           HG2      LYS  21  -9.745   3.883   3.711
  163    HG3  LYS  21           HG1      LYS  21  -9.981   2.228   4.270
  164    HD2  LYS  21           HD2      LYS  21  -7.632   1.763   4.043
  165    HD3  LYS  21           HD1      LYS  21  -7.353   3.342   3.303
  166    HE2  LYS  21           HE2      LYS  21  -8.329   2.861   6.119
  167    HE3  LYS  21           HE1      LYS  21  -6.688   3.314   5.665
  168    HZ1  LYS  21           HZ1      LYS  21  -7.921   5.240   6.394
  169    HZ2  LYS  21           HZ2      LYS  21  -9.132   4.960   5.246
  170    HZ3  LYS  21           HZ3      LYS  21  -7.575   5.385   4.748
  171    H    VAL  22           HN       VAL  22 -12.822   3.866   3.028
  172    HA   VAL  22           HA       VAL  22 -12.644   6.520   2.127
  173    HB   VAL  22           HB       VAL  22 -13.699   5.462   4.755
  174   HG11  VAL  22          HG11      VAL  22 -13.149   7.827   4.958
  175   HG12  VAL  22          HG12      VAL  22 -14.898   7.604   4.919
  176   HG13  VAL  22          HG13      VAL  22 -14.048   8.177   3.482
  177   HG21  VAL  22          HG21      VAL  22 -14.856   4.600   2.783
  178   HG22  VAL  22          HG22      VAL  22 -15.102   6.247   2.202
  179   HG23  VAL  22          HG23      VAL  22 -15.885   5.711   3.687
  180    H    ILE  23           HN       ILE  23 -11.049   7.806   2.295
  181    HA   ILE  23           HA       ILE  23  -9.142   7.727   4.486
  182    HB   ILE  23           HB       ILE  23  -9.338   9.507   2.048
  183   HG12  ILE  23          HG12      ILE  23  -7.461   7.217   2.629
  184   HG13  ILE  23          HG11      ILE  23  -8.881   7.105   1.597
  185   HG21  ILE  23          HG21      ILE  23  -8.166  10.665   3.816
  186   HG22  ILE  23          HG22      ILE  23  -7.015  10.156   2.579
  187   HG23  ILE  23          HG23      ILE  23  -7.137   9.260   4.093
  188   HD11  ILE  23          HD11      ILE  23  -6.820   7.352   0.313
  189   HD12  ILE  23          HD12      ILE  23  -6.502   8.887   1.119
  190   HD13  ILE  23          HD13      ILE  23  -7.907   8.719   0.066
  191    H    ASP  24           HN       ASP  24 -11.681   9.728   3.143
  192    HA   ASP  24           HA       ASP  24 -12.066  11.099   5.660
  193    HB2  ASP  24           HB2      ASP  24 -10.424  12.574   4.640
  194    HB3  ASP  24           HB1      ASP  24 -11.330  12.597   3.133
  195    H    PHE  25           HN       PHE  25 -14.195  12.012   5.801
  196    HA   PHE  25           HA       PHE  25 -15.876  11.509   3.459
  197    HB2  PHE  25           HB2      PHE  25 -17.599  10.423   4.800
  198    HB3  PHE  25           HB1      PHE  25 -16.090   9.527   4.899
  199    HD1  PHE  25           HD1      PHE  25 -14.711   9.675   6.970
  200    HD2  PHE  25           HD2      PHE  25 -18.620  11.337   6.714
  201    HE1  PHE  25           HE1      PHE  25 -14.835   9.754   9.425
  202    HE2  PHE  25           HE2      PHE  25 -18.750  11.424   9.167
  203    HZ   PHE  25           HZ       PHE  25 -16.857  10.630  10.527
  204    H    GLN  26           HN       GLN  26 -17.492  12.947   3.145
  205    HA   GLN  26           HA       GLN  26 -17.922  14.965   5.245
  206    HB2  GLN  26           HB2      GLN  26 -16.874  15.980   3.317
  207    HB3  GLN  26           HB1      GLN  26 -18.047  15.243   2.239
  208    HG2  GLN  26           HG2      GLN  26 -18.515  17.603   2.577
  209    HG3  GLN  26           HG1      GLN  26 -19.817  16.598   3.208
  210   HE21  GLN  26          HE21      GLN  26 -16.751  17.058   4.825
  211   HE22  GLN  26          HE22      GLN  26 -17.377  17.968   6.155
  212    H    HIS  27           HN       HIS  27 -19.690  14.162   6.261
  213    HA   HIS  27           HA       HIS  27 -21.928  13.084   4.809
  214    HB2  HIS  27           HB2      HIS  27 -21.325  12.300   7.084
  215    HB3  HIS  27           HB1      HIS  27 -21.712  13.891   7.719
  216    HD1  HIS  27           HD1      HIS  27 -24.053  14.253   8.448
  217    HD2  HIS  27           HD2      HIS  27 -23.681  10.922   5.998
  218    HE1  HIS  27           HE1      HIS  27 -26.299  13.132   8.491
  219    HE2  HIS  27           HE2      HIS  27 -25.974  10.999   7.192
  220    H    VAL  28           HN       VAL  28 -22.640  14.662   3.447
  221    HA   VAL  28           HA       VAL  28 -23.213  17.315   4.538
  222    HB   VAL  28           HB       VAL  28 -21.839  17.378   2.574
  223   HG11  VAL  28          HG11      VAL  28 -23.963  15.702   1.253
  224   HG12  VAL  28          HG12      VAL  28 -22.283  15.255   1.564
  225   HG13  VAL  28          HG13      VAL  28 -22.661  16.514   0.387
  226   HG21  VAL  28          HG21      VAL  28 -23.449  19.167   2.735
  227   HG22  VAL  28          HG22      VAL  28 -24.665  18.190   1.914
  228   HG23  VAL  28          HG23      VAL  28 -23.229  18.723   1.043
  229    H    LYS  29           HN       LYS  29 -25.210  18.062   4.798
  230    HA   LYS  29           HA       LYS  29 -27.422  16.509   3.658
  231    HB2  LYS  29           HB2      LYS  29 -28.748  17.191   5.713
  232    HB3  LYS  29           HB1      LYS  29 -27.507  15.974   5.955
  233    HG2  LYS  29           HG2      LYS  29 -26.889  18.851   6.475
  234    HG3  LYS  29           HG1      LYS  29 -27.790  17.909   7.662
  235    HD2  LYS  29           HD2      LYS  29 -25.969  16.274   7.749
  236    HD3  LYS  29           HD1      LYS  29 -25.069  17.209   6.554
  237    HE2  LYS  29           HE2      LYS  29 -25.916  18.226   9.265
  238    HE3  LYS  29           HE1      LYS  29 -24.313  17.604   8.878
  239    HZ1  LYS  29           HZ1      LYS  29 -25.576  19.936   7.546
  240    HZ2  LYS  29           HZ2      LYS  29 -23.995  19.380   7.321
  241    HZ3  LYS  29           HZ3      LYS  29 -24.455  20.042   8.806
  242    HA   PRO  30           HA       PRO  30 -28.028  20.607   1.902
  243    HB2  PRO  30           HB2      PRO  30 -29.779  19.815  -0.009
  244    HB3  PRO  30           HB1      PRO  30 -28.033  19.601  -0.161
  245    HG2  PRO  30           HG2      PRO  30 -30.120  17.619   0.656
  246    HG3  PRO  30           HG1      PRO  30 -28.733  17.401  -0.427
  247    HD2  PRO  30           HD2      PRO  30 -28.725  16.576   2.156
  248    HD3  PRO  30           HD1      PRO  30 -27.258  17.119   1.318
  249    H    GLY  31           HN       GLY  31 -30.228  18.513   3.459
  250    HA2  GLY  31           HA2      GLY  31 -31.975  19.110   4.853
  251    HA3  GLY  31           HA1      GLY  31 -31.812  20.767   4.299
  252    H    LYS  32           HN       LYS  32 -32.144  18.238   1.966
  253    HA   LYS  32           HA       LYS  32 -34.810  19.285   1.334
  254    HB2  LYS  32           HB2      LYS  32 -32.813  17.852  -0.420
  255    HB3  LYS  32           HB1      LYS  32 -34.423  18.336  -0.937
  256    HG2  LYS  32           HG2      LYS  32 -33.817  20.689  -0.449
  257    HG3  LYS  32           HG1      LYS  32 -32.181  20.152  -0.075
  258    HD2  LYS  32           HD2      LYS  32 -33.578  19.793  -2.726
  259    HD3  LYS  32           HD1      LYS  32 -32.379  21.034  -2.364
  260    HE2  LYS  32           HE2      LYS  32 -30.757  19.218  -1.840
  261    HE3  LYS  32           HE1      LYS  32 -31.958  18.050  -2.388
  262    HZ1  LYS  32           HZ1      LYS  32 -30.781  20.213  -4.043
  263    HZ2  LYS  32           HZ2      LYS  32 -31.916  19.079  -4.568
  264    HZ3  LYS  32           HZ3      LYS  32 -30.364  18.578  -4.125
  265    H    GLY  33           HN       GLY  33 -33.461  16.774   2.917
  266    HA2  GLY  33           HA2      GLY  33 -35.369  15.359   3.804
  267    HA3  GLY  33           HA1      GLY  33 -35.623  14.935   2.119
  268    H    SER  34           HN       SER  34 -32.943  14.657   1.331
  269    HA   SER  34           HA       SER  34 -32.171  12.296   2.911
  270    HB2  SER  34           HB2      SER  34 -31.887  12.694  -0.077
  271    HB3  SER  34           HB1      SER  34 -31.434  11.249   0.830
  272    HG   SER  34           HG       SER  34 -33.699  11.151   1.478
  273    H    ALA  35           HN       ALA  35 -29.983  11.901   3.209
  274    HA   ALA  35           HA       ALA  35 -28.280  14.253   2.820
  275    HB1  ALA  35           HB1      ALA  35 -27.925  11.917   4.689
  276    HB2  ALA  35           HB2      ALA  35 -28.566  13.502   5.125
  277    HB3  ALA  35           HB3      ALA  35 -26.891  13.342   4.596
  278    H    PHE  36           HN       PHE  36 -26.016  13.876   2.357
  279    HA   PHE  36           HA       PHE  36 -25.509  11.462   0.771
  280    HB2  PHE  36           HB2      PHE  36 -24.808  14.293  -0.061
  281    HB3  PHE  36           HB1      PHE  36 -24.395  12.827  -0.944
  282    HD1  PHE  36           HD1      PHE  36 -27.105  15.114  -0.001
  283    HD2  PHE  36           HD2      PHE  36 -26.029  11.669  -2.254
  284    HE1  PHE  36           HE1      PHE  36 -29.232  15.257  -1.226
  285    HE2  PHE  36           HE2      PHE  36 -28.157  11.806  -3.483
  286    HZ   PHE  36           HZ       PHE  36 -29.759  13.599  -2.970
  287    H    VAL  37           HN       VAL  37 -23.151  11.103   0.467
  288    HA   VAL  37           HA       VAL  37 -21.539  12.489   2.501
  289    HB   VAL  37           HB       VAL  37 -21.448   9.508   2.002
  290   HG11  VAL  37          HG11      VAL  37 -19.279  10.436   2.596
  291   HG12  VAL  37          HG12      VAL  37 -19.924   9.453   3.910
  292   HG13  VAL  37          HG13      VAL  37 -19.989  11.213   4.012
  293   HG21  VAL  37          HG21      VAL  37 -22.519  11.042   4.360
  294   HG22  VAL  37          HG22      VAL  37 -22.347   9.290   4.270
  295   HG23  VAL  37          HG23      VAL  37 -23.471  10.122   3.196
  296    H    ARG  38           HN       ARG  38 -20.285  13.666   1.189
  297    HA   ARG  38           HA       ARG  38 -19.030  12.534  -1.150
  298    HB2  ARG  38           HB2      ARG  38 -19.595  14.909  -1.141
  299    HB3  ARG  38           HB1      ARG  38 -18.579  15.166   0.271
  300    HG2  ARG  38           HG2      ARG  38 -16.599  14.658  -0.993
  301    HG3  ARG  38           HG1      ARG  38 -17.569  14.226  -2.401
  302    HD2  ARG  38           HD2      ARG  38 -17.512  16.951  -1.120
  303    HD3  ARG  38           HD1      ARG  38 -16.582  16.490  -2.546
  304    HE   ARG  38           HE       ARG  38 -19.254  15.894  -3.059
  305   HH11  ARG  38          HH11      ARG  38 -17.262  18.709  -2.478
  306   HH12  ARG  38          HH12      ARG  38 -18.267  19.765  -3.420
  307   HH21  ARG  38          HH21      ARG  38 -20.560  17.273  -4.317
  308   HH22  ARG  38          HH22      ARG  38 -20.132  18.947  -4.478
  309    H    SER  39           HN       SER  39 -17.657  10.917  -0.680
  310    HA   SER  39           HA       SER  39 -15.762  11.356   1.517
  311    HB2  SER  39           HB2      SER  39 -15.623   8.802   1.504
  312    HB3  SER  39           HB1      SER  39 -17.127   9.513   2.092
  313    HG   SER  39           HG       SER  39 -17.161   9.097  -0.600
  314    H    LYS  40           HN       LYS  40 -13.649  11.150   1.217
  315    HA   LYS  40           HA       LYS  40 -12.603  10.647  -1.462
  316    HB2  LYS  40           HB2      LYS  40 -11.676  12.502  -0.047
  317    HB3  LYS  40           HB1      LYS  40 -11.134  11.296   1.113
  318    HG2  LYS  40           HG2      LYS  40  -9.801  10.276  -0.784
  319    HG3  LYS  40           HG1      LYS  40 -10.155  11.750  -1.687
  320    HD2  LYS  40           HD2      LYS  40  -8.759  11.612   0.985
  321    HD3  LYS  40           HD1      LYS  40  -7.975  11.868  -0.572
  322    HE2  LYS  40           HE2      LYS  40  -9.274  13.940  -0.858
  323    HE3  LYS  40           HE1      LYS  40  -9.999  13.688   0.729
  324    HZ1  LYS  40           HZ1      LYS  40  -8.146  15.237   0.827
  325    HZ2  LYS  40           HZ2      LYS  40  -7.104  14.060   0.197
  326    HZ3  LYS  40           HZ3      LYS  40  -7.805  13.840   1.719
  327    H    LEU  41           HN       LEU  41 -11.956   8.610  -2.025
  328    HA   LEU  41           HA       LEU  41 -11.154   6.798   0.101
  329    HB2  LEU  41           HB2      LEU  41 -12.689   5.054  -0.466
  330    HB3  LEU  41           HB1      LEU  41 -13.591   6.517  -0.130
  331    HG   LEU  41           HG       LEU  41 -13.114   5.254  -2.836
  332   HD11  LEU  41          HD11      LEU  41 -15.503   4.943  -2.841
  333   HD12  LEU  41          HD12      LEU  41 -15.652   5.782  -1.299
  334   HD13  LEU  41          HD13      LEU  41 -14.825   4.229  -1.380
  335   HD21  LEU  41          HD21      LEU  41 -13.035   7.676  -3.090
  336   HD22  LEU  41          HD22      LEU  41 -14.545   7.831  -2.193
  337   HD23  LEU  41          HD23      LEU  41 -14.528   7.022  -3.761
  338    H    ARG  42           HN       ARG  42  -9.844   5.125  -0.486
  339    HA   ARG  42           HA       ARG  42  -8.553   5.527  -3.095
  340    HB2  ARG  42           HB2      ARG  42  -7.162   5.948  -1.121
  341    HB3  ARG  42           HB1      ARG  42  -7.483   4.325  -0.533
  342    HG2  ARG  42           HG2      ARG  42  -6.362   3.429  -2.560
  343    HG3  ARG  42           HG1      ARG  42  -5.944   5.083  -3.009
  344    HD2  ARG  42           HD2      ARG  42  -4.036   4.276  -1.921
  345    HD3  ARG  42           HD1      ARG  42  -4.860   5.247  -0.703
  346    HE   ARG  42           HE       ARG  42  -5.292   2.346  -0.757
  347   HH11  ARG  42          HH11      ARG  42  -4.042   5.184   0.876
  348   HH12  ARG  42          HH12      ARG  42  -3.693   4.338   2.349
  349   HH21  ARG  42          HH21      ARG  42  -4.796   1.222   1.170
  350   HH22  ARG  42          HH22      ARG  42  -4.104   2.080   2.511
  351    H    ASN  43           HN       ASN  43  -8.605   3.960  -4.585
  352    HA   ASN  43           HA       ASN  43  -9.801   1.405  -4.134
  353    HB2  ASN  43           HB2      ASN  43  -9.626   2.618  -6.378
  354    HB3  ASN  43           HB1      ASN  43  -7.936   2.136  -6.405
  355   HD21  ASN  43          HD21      ASN  43 -10.129   1.452  -8.209
  356   HD22  ASN  43          HD22      ASN  43 -10.209  -0.278  -8.222
  357    H    LEU  44           HN       LEU  44  -8.882  -0.269  -3.099
  358    HA   LEU  44           HA       LEU  44  -6.217  -0.114  -2.153
  359    HB2  LEU  44           HB2      LEU  44  -8.174  -2.396  -2.143
  360    HB3  LEU  44           HB1      LEU  44  -6.587  -2.500  -1.415
  361    HG   LEU  44           HG       LEU  44  -7.371  -0.395  -0.067
  362   HD11  LEU  44          HD11      LEU  44  -9.450  -0.050  -1.282
  363   HD12  LEU  44          HD12      LEU  44  -9.752  -0.398   0.419
  364   HD13  LEU  44          HD13      LEU  44 -10.010  -1.652  -0.796
  365   HD21  LEU  44          HD21      LEU  44  -8.241  -1.862   1.679
  366   HD22  LEU  44          HD22      LEU  44  -6.807  -2.545   0.912
  367   HD23  LEU  44          HD23      LEU  44  -8.406  -3.165   0.502
  368    H    ARG  45           HN       ARG  45  -7.618  -1.574  -4.966
  369    HA   ARG  45           HA       ARG  45  -5.494  -3.425  -5.431
  370    HB2  ARG  45           HB2      ARG  45  -7.709  -2.400  -7.202
  371    HB3  ARG  45           HB1      ARG  45  -6.506  -3.557  -7.755
  372    HG2  ARG  45           HG2      ARG  45  -7.194  -5.098  -5.964
  373    HG3  ARG  45           HG1      ARG  45  -8.450  -3.951  -5.494
  374    HD2  ARG  45           HD2      ARG  45  -9.498  -4.166  -7.664
  375    HD3  ARG  45           HD1      ARG  45  -8.202  -5.224  -8.216
  376    HE   ARG  45           HE       ARG  45  -8.986  -6.884  -6.645
  377   HH11  ARG  45          HH11      ARG  45 -11.179  -4.225  -7.318
  378   HH12  ARG  45          HH12      ARG  45 -12.584  -5.091  -6.770
  379   HH21  ARG  45          HH21      ARG  45 -10.803  -8.016  -5.954
  380   HH22  ARG  45          HH22      ARG  45 -12.370  -7.250  -5.989
  381    H    THR  46           HN       THR  46  -6.271  -0.214  -6.681
  382    HA   THR  46           HA       THR  46  -3.850  -0.315  -8.313
  383    HB   THR  46           HB       THR  46  -4.828   1.613  -9.510
  384    HG1  THR  46           HG1      THR  46  -7.061   2.103  -8.989
  385   HG21  THR  46          HG21      THR  46  -5.277  -0.675 -10.260
  386   HG22  THR  46          HG22      THR  46  -6.649   0.384 -10.576
  387   HG23  THR  46          HG23      THR  46  -6.696  -0.738  -9.214
  388    H    GLY  47           HN       GLY  47  -4.953   0.934  -5.406
  389    HA2  GLY  47           HA2      GLY  47  -4.008   2.392  -3.891
  390    HA3  GLY  47           HA1      GLY  47  -2.627   2.526  -4.970
  391    H    ALA  48           HN       ALA  48  -5.809   3.158  -6.163
  392    HA   ALA  48           HA       ALA  48  -4.912   5.788  -6.971
  393    HB1  ALA  48           HB1      ALA  48  -6.882   5.829  -8.367
  394    HB2  ALA  48           HB2      ALA  48  -7.485   4.360  -7.594
  395    HB3  ALA  48           HB3      ALA  48  -6.014   4.307  -8.568
  396    H    ILE  49           HN       ILE  49  -5.541   7.668  -6.189
  397    HA   ILE  49           HA       ILE  49  -7.408   7.752  -3.955
  398    HB   ILE  49           HB       ILE  49  -5.857  10.027  -5.202
  399   HG12  ILE  49          HG12      ILE  49  -4.315   8.310  -4.368
  400   HG13  ILE  49          HG11      ILE  49  -4.251   9.754  -3.365
  401   HG21  ILE  49          HG21      ILE  49  -7.773  10.750  -3.892
  402   HG22  ILE  49          HG22      ILE  49  -6.270  11.160  -3.064
  403   HG23  ILE  49          HG23      ILE  49  -7.225   9.779  -2.526
  404   HD11  ILE  49          HD11      ILE  49  -4.182   7.786  -1.987
  405   HD12  ILE  49          HD12      ILE  49  -5.669   7.184  -2.717
  406   HD13  ILE  49          HD13      ILE  49  -5.703   8.639  -1.721
  407    H    GLN  50           HN       GLN  50  -9.512   7.847  -4.482
  408    HA   GLN  50           HA       GLN  50 -10.316   9.801  -6.527
  409    HB2  GLN  50           HB2      GLN  50 -10.396   7.447  -7.407
  410    HB3  GLN  50           HB1      GLN  50 -11.572   7.075  -6.158
  411    HG2  GLN  50           HG2      GLN  50 -13.146   8.632  -7.113
  412    HG3  GLN  50           HG1      GLN  50 -11.957   9.146  -8.308
  413   HE21  GLN  50          HE21      GLN  50 -14.614   7.975  -8.655
  414   HE22  GLN  50          HE22      GLN  50 -14.377   6.556  -9.619
  415    H    GLU  51           HN       GLU  51 -12.780  10.238  -6.278
  416    HA   GLU  51           HA       GLU  51 -13.585   9.940  -3.482
  417    HB2  GLU  51           HB2      GLU  51 -14.699  12.259  -3.804
  418    HB3  GLU  51           HB1      GLU  51 -12.988  12.171  -3.433
  419    HG2  GLU  51           HG2      GLU  51 -13.326  13.831  -5.111
  420    HG3  GLU  51           HG1      GLU  51 -12.485  12.466  -5.831
  421    H    LYS  52           HN       LYS  52 -15.766   9.728  -3.081
  422    HA   LYS  52           HA       LYS  52 -17.585   9.569  -5.360
  423    HB2  LYS  52           HB2      LYS  52 -16.950   7.295  -3.485
  424    HB3  LYS  52           HB1      LYS  52 -18.460   7.367  -4.381
  425    HG2  LYS  52           HG2      LYS  52 -17.238   7.351  -6.480
  426    HG3  LYS  52           HG1      LYS  52 -15.708   7.347  -5.604
  427    HD2  LYS  52           HD2      LYS  52 -16.288   5.186  -4.610
  428    HD3  LYS  52           HD1      LYS  52 -17.818   5.193  -5.488
  429    HE2  LYS  52           HE2      LYS  52 -15.096   5.281  -6.780
  430    HE3  LYS  52           HE1      LYS  52 -16.052   3.815  -6.561
  431    HZ1  LYS  52           HZ1      LYS  52 -17.719   4.632  -7.998
  432    HZ2  LYS  52           HZ2      LYS  52 -16.244   4.886  -8.788
  433    HZ3  LYS  52           HZ3      LYS  52 -17.036   6.180  -8.047
  434    H    THR  53           HN       THR  53 -19.752   9.838  -4.798
  435    HA   THR  53           HA       THR  53 -20.180  10.715  -2.032
  436    HB   THR  53           HB       THR  53 -21.719  11.557  -4.491
  437    HG1  THR  53           HG1      THR  53 -19.365  12.309  -3.943
  438   HG21  THR  53          HG21      THR  53 -22.680  13.265  -3.001
  439   HG22  THR  53          HG22      THR  53 -21.798  12.568  -1.643
  440   HG23  THR  53          HG23      THR  53 -23.059  11.634  -2.448
  441    H    PHE  54           HN       PHE  54 -21.298   9.362  -0.862
  442    HA   PHE  54           HA       PHE  54 -22.969   7.340  -2.078
  443    HB2  PHE  54           HB2      PHE  54 -22.241   7.941   0.791
  444    HB3  PHE  54           HB1      PHE  54 -23.327   6.640   0.323
  445    HD1  PHE  54           HD1      PHE  54 -22.478   4.706  -0.929
  446    HD2  PHE  54           HD2      PHE  54 -19.875   7.749   0.521
  447    HE1  PHE  54           HE1      PHE  54 -20.555   3.198  -1.223
  448    HE2  PHE  54           HE2      PHE  54 -17.948   6.247   0.228
  449    HZ   PHE  54           HZ       PHE  54 -18.287   3.968  -0.646
  450    H    ARG  55           HN       ARG  55 -25.170   7.211  -1.923
  451    HA   ARG  55           HA       ARG  55 -26.513   9.698  -1.118
  452    HB2  ARG  55           HB2      ARG  55 -27.364   7.545  -3.067
  453    HB3  ARG  55           HB1      ARG  55 -28.305   8.971  -2.663
  454    HG2  ARG  55           HG2      ARG  55 -26.572  10.401  -3.590
  455    HG3  ARG  55           HG1      ARG  55 -25.594   8.983  -3.964
  456    HD2  ARG  55           HD2      ARG  55 -28.362   9.450  -5.053
  457    HD3  ARG  55           HD1      ARG  55 -26.890   9.927  -5.894
  458    HE   ARG  55           HE       ARG  55 -26.296   7.562  -5.990
  459   HH11  ARG  55          HH11      ARG  55 -29.630   8.322  -5.232
  460   HH12  ARG  55          HH12      ARG  55 -30.245   6.822  -5.842
  461   HH21  ARG  55          HH21      ARG  55 -27.116   5.598  -6.816
  462   HH22  ARG  55          HH22      ARG  55 -28.816   5.272  -6.735
  463    H    ALA  56           HN       ALA  56 -28.169   9.656   0.341
  464    HA   ALA  56           HA       ALA  56 -28.457   7.465   2.085
  465    HB1  ALA  56           HB1      ALA  56 -28.951   9.774   2.746
  466    HB2  ALA  56           HB2      ALA  56 -30.306   8.694   3.073
  467    HB3  ALA  56           HB3      ALA  56 -30.356   9.773   1.680
  468    H    GLY  57           HN       GLY  57 -29.758   5.752   2.086
  469    HA2  GLY  57           HA2      GLY  57 -31.795   4.618   1.417
  470    HA3  GLY  57           HA1      GLY  57 -31.745   5.538  -0.084
  471    H    GLU  58           HN       GLU  58 -28.878   5.205  -0.396
  472    HA   GLU  58           HA       GLU  58 -28.836   2.573  -1.579
  473    HB2  GLU  58           HB2      GLU  58 -27.154   5.010  -1.657
  474    HB3  GLU  58           HB1      GLU  58 -26.306   3.488  -1.883
  475    HG2  GLU  58           HG2      GLU  58 -27.060   4.660  -3.970
  476    HG3  GLU  58           HG1      GLU  58 -27.531   2.971  -3.816
  477    H    LYS  59           HN       LYS  59 -28.246   0.818  -0.518
  478    HA   LYS  59           HA       LYS  59 -27.171   0.928   2.117
  479    HB2  LYS  59           HB2      LYS  59 -28.694  -0.856   1.353
  480    HB3  LYS  59           HB1      LYS  59 -27.458  -1.431   0.246
  481    HG2  LYS  59           HG2      LYS  59 -26.016  -2.004   2.103
  482    HG3  LYS  59           HG1      LYS  59 -27.190  -1.347   3.243
  483    HD2  LYS  59           HD2      LYS  59 -27.632  -3.689   1.392
  484    HD3  LYS  59           HD1      LYS  59 -27.337  -3.781   3.129
  485    HE2  LYS  59           HE2      LYS  59 -29.395  -2.445   3.497
  486    HE3  LYS  59           HE1      LYS  59 -29.703  -2.507   1.763
  487    HZ1  LYS  59           HZ1      LYS  59 -29.729  -4.958   1.957
  488    HZ2  LYS  59           HZ2      LYS  59 -30.971  -4.199   2.816
  489    HZ3  LYS  59           HZ3      LYS  59 -29.623  -4.799   3.640
  490    H    VAL  60           HN       VAL  60 -25.123   0.795   2.799
  491    HA   VAL  60           HA       VAL  60 -23.037   0.828   0.766
  492    HB   VAL  60           HB       VAL  60 -22.848   1.336   3.743
  493   HG11  VAL  60          HG11      VAL  60 -20.670   2.329   3.216
  494   HG12  VAL  60          HG12      VAL  60 -20.858   1.831   1.534
  495   HG13  VAL  60          HG13      VAL  60 -20.728   0.615   2.805
  496   HG21  VAL  60          HG21      VAL  60 -24.240   3.001   2.641
  497   HG22  VAL  60          HG22      VAL  60 -22.979   3.279   1.439
  498   HG23  VAL  60          HG23      VAL  60 -22.697   3.706   3.127
  499    H    GLU  61           HN       GLU  61 -22.345  -1.122   0.161
  500    HA   GLU  61           HA       GLU  61 -22.292  -3.331   2.047
  501    HB2  GLU  61           HB2      GLU  61 -21.533  -3.222  -0.879
  502    HB3  GLU  61           HB1      GLU  61 -21.604  -4.682   0.098
  503    HG2  GLU  61           HG2      GLU  61 -24.011  -4.276   0.459
  504    HG3  GLU  61           HG1      GLU  61 -23.909  -2.888  -0.622
  505    HA   PRO  62           HA       PRO  62 -18.058  -2.211   2.978
  506    HB2  PRO  62           HB2      PRO  62 -17.703  -3.985   4.982
  507    HB3  PRO  62           HB1      PRO  62 -18.616  -2.489   5.189
  508    HG2  PRO  62           HG2      PRO  62 -19.614  -5.271   4.751
  509    HG3  PRO  62           HG1      PRO  62 -20.237  -4.014   5.835
  510    HD2  PRO  62           HD2      PRO  62 -21.350  -4.599   3.413
  511    HD3  PRO  62           HD1      PRO  62 -21.435  -2.995   4.167
  512    H    ALA  63           HN       ALA  63 -16.024  -3.139   2.789
  513    HA   ALA  63           HA       ALA  63 -15.965  -5.724   1.378
  514    HB1  ALA  63           HB1      ALA  63 -13.915  -4.862   0.272
  515    HB2  ALA  63           HB2      ALA  63 -14.183  -3.311   1.069
  516    HB3  ALA  63           HB3      ALA  63 -15.359  -3.916  -0.094
  517    H    MET  64           HN       MET  64 -15.119  -7.297   2.586
  518    HA   MET  64           HA       MET  64 -13.627  -6.733   4.972
  519    HB2  MET  64           HB2      MET  64 -15.227  -8.596   4.839
  520    HB3  MET  64           HB1      MET  64 -14.240  -9.358   3.602
  521    HG2  MET  64           HG2      MET  64 -12.393  -9.504   5.265
  522    HG3  MET  64           HG1      MET  64 -13.519  -8.912   6.486
  523    HE1  MET  64           HE1      MET  64 -16.223 -11.782   6.482
  524    HE2  MET  64           HE2      MET  64 -16.230 -10.312   5.509
  525    HE3  MET  64           HE3      MET  64 -15.746 -10.245   7.203
  526    H    ILE  65           HN       ILE  65 -11.559  -6.105   4.808
  527    HA   ILE  65           HA       ILE  65  -9.865  -7.294   2.723
  528    HB   ILE  65           HB       ILE  65  -9.285  -4.924   4.513
  529   HG12  ILE  65          HG12      ILE  65 -11.126  -4.364   3.048
  530   HG13  ILE  65          HG11      ILE  65  -9.674  -3.559   2.472
  531   HG21  ILE  65          HG21      ILE  65  -7.477  -4.449   2.904
  532   HG22  ILE  65          HG22      ILE  65  -7.838  -5.970   2.085
  533   HG23  ILE  65          HG23      ILE  65  -7.256  -5.981   3.750
  534   HD11  ILE  65          HD11      ILE  65 -10.955  -4.424   0.623
  535   HD12  ILE  65          HD12      ILE  65 -10.904  -6.044   1.316
  536   HD13  ILE  65          HD13      ILE  65  -9.419  -5.280   0.751
  537    H    GLU  66           HN       GLU  66  -8.109  -8.528   3.212
  538    HA   GLU  66           HA       GLU  66  -7.622  -9.108   6.055
  539    HB2  GLU  66           HB2      GLU  66  -6.706 -10.644   3.619
  540    HB3  GLU  66           HB1      GLU  66  -6.521 -11.141   5.291
  541    HG2  GLU  66           HG2      GLU  66  -8.938 -11.343   5.505
  542    HG3  GLU  66           HG1      GLU  66  -9.130 -10.826   3.830
  543    H    ASN  67           HN       ASN  67  -5.955  -7.997   6.901
  544    HA   ASN  67           HA       ASN  67  -3.665  -7.377   5.175
  545    HB2  ASN  67           HB2      ASN  67  -4.557  -6.301   7.843
  546    HB3  ASN  67           HB1      ASN  67  -2.902  -6.084   7.281
  547   HD21  ASN  67          HD21      ASN  67  -6.252  -5.298   6.708
  548   HD22  ASN  67          HD22      ASN  67  -5.958  -3.957   5.657
  549    H    ARG  68           HN       ARG  68  -2.468  -9.169   5.045
  550    HA   ARG  68           HA       ARG  68  -1.761 -10.541   7.553
  551    HB2  ARG  68           HB2      ARG  68  -1.753 -11.585   4.722
  552    HB3  ARG  68           HB1      ARG  68  -1.190 -12.481   6.120
  553    HG2  ARG  68           HG2      ARG  68  -3.469 -12.354   7.065
  554    HG3  ARG  68           HG1      ARG  68  -4.002 -11.571   5.573
  555    HD2  ARG  68           HD2      ARG  68  -3.107 -13.554   4.330
  556    HD3  ARG  68           HD1      ARG  68  -2.852 -14.334   5.889
  557    HE   ARG  68           HE       ARG  68  -5.545 -13.392   5.424
  558   HH11  ARG  68          HH11      ARG  68  -3.288 -16.035   5.251
  559   HH12  ARG  68          HH12      ARG  68  -4.505 -17.260   5.049
  560   HH21  ARG  68          HH21      ARG  68  -7.189 -14.969   5.154
  561   HH22  ARG  68          HH22      ARG  68  -6.738 -16.647   5.008
  562    H    ARG  69           HN       ARG  69   0.301 -10.304   8.204
  563    HA   ARG  69           HA       ARG  69   2.191  -9.162   6.327
  564    HB2  ARG  69           HB2      ARG  69   3.710  -8.936   8.225
  565    HB3  ARG  69           HB1      ARG  69   2.147  -8.220   8.573
  566    HG2  ARG  69           HG2      ARG  69   1.585 -10.351   9.806
  567    HG3  ARG  69           HG1      ARG  69   3.287 -10.791   9.632
  568    HD2  ARG  69           HD2      ARG  69   3.052  -9.757  11.764
  569    HD3  ARG  69           HD1      ARG  69   3.863  -8.598  10.712
  570    HE   ARG  69           HE       ARG  69   0.961  -8.456  11.198
  571   HH11  ARG  69          HH11      ARG  69   4.132  -6.941  11.252
  572   HH12  ARG  69          HH12      ARG  69   3.502  -5.367  11.621
  573   HH21  ARG  69          HH21      ARG  69   0.151  -6.401  11.687
  574   HH22  ARG  69          HH22      ARG  69   1.240  -5.062  11.883
  575    H    MET  70           HN       MET  70   3.471 -10.324   5.136
  576    HA   MET  70           HA       MET  70   3.848 -13.156   5.828
  577    HB2  MET  70           HB2      MET  70   4.405 -11.957   3.129
  578    HB3  MET  70           HB1      MET  70   4.110 -13.638   3.543
  579    HG2  MET  70           HG2      MET  70   2.072 -11.430   3.539
  580    HG3  MET  70           HG1      MET  70   2.254 -12.686   2.319
  581    HE1  MET  70           HE1      MET  70  -0.991 -14.049   3.728
  582    HE2  MET  70           HE2      MET  70   0.021 -13.852   2.297
  583    HE3  MET  70           HE3      MET  70  -0.541 -12.434   3.182
  584    H    GLN  71           HN       GLN  71   5.906 -14.022   5.884
  585    HA   GLN  71           HA       GLN  71   8.117 -12.182   6.021
  586    HB2  GLN  71           HB2      GLN  71   7.986 -14.172   7.484
  587    HB3  GLN  71           HB1      GLN  71   8.127 -15.200   6.066
  588    HG2  GLN  71           HG2      GLN  71  10.332 -14.236   5.599
  589    HG3  GLN  71           HG1      GLN  71  10.197 -13.255   7.057
  590   HE21  GLN  71          HE21      GLN  71  12.022 -14.200   7.964
  591   HE22  GLN  71          HE22      GLN  71  12.014 -15.814   8.580
  592    H    TYR  72           HN       TYR  72   9.641 -11.827   4.490
  593    HA   TYR  72           HA       TYR  72   8.903 -12.459   1.801
  594    HB2  TYR  72           HB2      TYR  72   9.873 -10.263   2.496
  595    HB3  TYR  72           HB1      TYR  72  11.404 -11.076   2.791
  596    HD1  TYR  72           HD1      TYR  72  12.724 -11.965   0.901
  597    HD2  TYR  72           HD2      TYR  72   9.142  -9.767   0.263
  598    HE1  TYR  72           HE1      TYR  72  13.351 -11.639  -1.451
  599    HE2  TYR  72           HE2      TYR  72   9.754  -9.443  -2.093
  600    HH   TYR  72           HH       TYR  72  11.690  -9.450  -3.504
  601    H    LEU  73           HN       LEU  73   9.233 -14.499   1.147
  602    HA   LEU  73           HA       LEU  73  11.954 -15.580   1.336
  603    HB2  LEU  73           HB2      LEU  73   9.379 -16.800   0.321
  604    HB3  LEU  73           HB1      LEU  73  10.938 -17.574   0.151
  605    HG   LEU  73           HG       LEU  73   9.847 -18.607   1.980
  606   HD11  LEU  73          HD11      LEU  73  11.802 -16.627   3.119
  607   HD12  LEU  73          HD12      LEU  73  12.214 -18.153   2.337
  608   HD13  LEU  73          HD13      LEU  73  11.312 -18.153   3.852
  609   HD21  LEU  73          HD21      LEU  73   9.350 -15.855   3.091
  610   HD22  LEU  73          HD22      LEU  73   8.994 -17.372   3.916
  611   HD23  LEU  73          HD23      LEU  73   8.142 -16.955   2.429
  612    H    TYR  74           HN       TYR  74  12.466 -16.727  -1.004
  613    HA   TYR  74           HA       TYR  74  11.780 -14.835  -3.096
  614    HB2  TYR  74           HB2      TYR  74  14.100 -14.268  -3.615
  615    HB3  TYR  74           HB1      TYR  74  13.674 -13.762  -1.986
  616    HD1  TYR  74           HD1      TYR  74  14.368 -15.376  -0.063
  617    HD2  TYR  74           HD2      TYR  74  16.036 -15.493  -3.976
  618    HE1  TYR  74           HE1      TYR  74  16.344 -16.540   0.820
  619    HE2  TYR  74           HE2      TYR  74  18.015 -16.659  -3.102
  620    HH   TYR  74           HH       TYR  74  19.204 -16.838  -0.873
  621    H    ALA  75           HN       ALA  75  12.257 -15.484  -5.159
  622    HA   ALA  75           HA       ALA  75  13.487 -18.055  -5.663
  623    HB1  ALA  75           HB1      ALA  75  11.145 -18.633  -5.170
  624    HB2  ALA  75           HB2      ALA  75  11.558 -18.954  -6.851
  625    HB3  ALA  75           HB3      ALA  75  10.613 -17.525  -6.434
  626    H    ASP  76           HN       ASP  76  12.640 -18.285  -8.352
  627    HA   ASP  76           HA       ASP  76  14.139 -16.286  -9.665
  628    HB2  ASP  76           HB2      ASP  76  13.799 -18.446 -10.725
  629    HB3  ASP  76           HB1      ASP  76  12.054 -18.198 -10.749
  630    H    GLY  77           HN       GLY  77  13.478 -14.374 -10.714
  631    HA2  GLY  77           HA2      GLY  77  11.187 -13.227  -9.414
  632    HA3  GLY  77           HA1      GLY  77  12.290 -12.399 -10.501
  633    H    ASP  78           HN       ASP  78   9.906 -14.994 -10.656
  634    HA   ASP  78           HA       ASP  78   8.363 -13.314 -12.516
  635    HB2  ASP  78           HB2      ASP  78   9.151 -15.396 -13.639
  636    HB3  ASP  78           HB1      ASP  78   8.370 -16.346 -12.375
  637    H    ASN  79           HN       ASN  79   8.562 -15.478  -9.823
  638    HA   ASN  79           HA       ASN  79   6.174 -14.278  -8.644
  639    HB2  ASN  79           HB2      ASN  79   6.693 -17.226  -8.993
  640    HB3  ASN  79           HB1      ASN  79   5.701 -16.636  -7.660
  641   HD21  ASN  79          HD21      ASN  79   4.987 -18.348  -9.891
  642   HD22  ASN  79          HD22      ASN  79   3.698 -17.550 -10.722
  643    H    HIS  80           HN       HIS  80   6.506 -13.757  -6.518
  644    HA   HIS  80           HA       HIS  80   8.948 -14.845  -5.274
  645    HB2  HIS  80           HB2      HIS  80   7.479 -12.261  -4.782
  646    HB3  HIS  80           HB1      HIS  80   8.645 -12.904  -3.635
  647    HD1  HIS  80           HD1      HIS  80   9.255 -10.225  -4.785
  648    HD2  HIS  80           HD2      HIS  80  10.449 -13.767  -6.628
  649    HE1  HIS  80           HE1      HIS  80  11.196  -9.608  -6.272
  650    HE2  HIS  80           HE2      HIS  80  11.884 -11.754  -7.397
  651    H    VAL  81           HN       VAL  81   8.865 -15.690  -3.199
  652    HA   VAL  81           HA       VAL  81   6.239 -16.782  -2.560
  653    HB   VAL  81           HB       VAL  81   8.956 -17.553  -1.482
  654   HG11  VAL  81          HG11      VAL  81   7.831 -19.584  -0.700
  655   HG12  VAL  81          HG12      VAL  81   6.288 -18.953  -1.275
  656   HG13  VAL  81          HG13      VAL  81   7.139 -18.139   0.038
  657   HG21  VAL  81          HG21      VAL  81   8.778 -19.487  -2.986
  658   HG22  VAL  81          HG22      VAL  81   8.799 -17.964  -3.876
  659   HG23  VAL  81          HG23      VAL  81   7.280 -18.828  -3.642
  660    H    PHE  82           HN       PHE  82   5.067 -15.899  -0.961
  661    HA   PHE  82           HA       PHE  82   6.515 -14.616   1.260
  662    HB2  PHE  82           HB2      PHE  82   3.853 -13.924   0.012
  663    HB3  PHE  82           HB1      PHE  82   4.345 -13.321   1.589
  664    HD1  PHE  82           HD1      PHE  82   5.087 -13.244  -2.018
  665    HD2  PHE  82           HD2      PHE  82   5.937 -11.584   1.813
  666    HE1  PHE  82           HE1      PHE  82   6.298 -11.392  -3.089
  667    HE2  PHE  82           HE2      PHE  82   7.142  -9.729   0.741
  668    HZ   PHE  82           HZ       PHE  82   7.326  -9.633  -1.710
  669    H    MET  83           HN       MET  83   6.232 -15.492   3.205
  670    HA   MET  83           HA       MET  83   4.376 -17.753   3.365
  671    HB2  MET  83           HB2      MET  83   6.837 -18.034   3.852
  672    HB3  MET  83           HB1      MET  83   6.602 -17.031   5.273
  673    HG2  MET  83           HG2      MET  83   4.969 -19.497   4.869
  674    HG3  MET  83           HG1      MET  83   6.607 -19.599   5.507
  675    HE1  MET  83           HE1      MET  83   6.797 -16.912   7.268
  676    HE2  MET  83           HE2      MET  83   7.392 -18.503   7.743
  677    HE3  MET  83           HE3      MET  83   6.347 -17.592   8.833
  678    H    ASP  84           HN       ASP  84   2.505 -17.448   4.302
  679    HA   ASP  84           HA       ASP  84   1.771 -15.110   5.660
  680    HB2  ASP  84           HB2      ASP  84   0.086 -16.408   4.547
  681    HB3  ASP  84           HB1      ASP  84   0.438 -17.813   5.544
  682    H    ASN  85           HN       ASN  85   2.377 -14.464   7.564
  683    HA   ASN  85           HA       ASN  85   3.475 -16.267   9.495
  684    HB2  ASN  85           HB2      ASN  85   2.955 -13.301   9.503
  685    HB3  ASN  85           HB1      ASN  85   3.602 -14.148  10.908
  686   HD21  ASN  85          HD21      ASN  85   4.772 -12.084   9.151
  687   HD22  ASN  85          HD22      ASN  85   6.267 -12.751   8.603
  688    H    GLU  86           HN       GLU  86   0.306 -15.430   8.757
  689    HA   GLU  86           HA       GLU  86  -0.700 -15.610  11.442
  690    HB2  GLU  86           HB2      GLU  86  -1.980 -14.469   9.632
  691    HB3  GLU  86           HB1      GLU  86  -2.214 -16.030   8.858
  692    HG2  GLU  86           HG2      GLU  86  -3.409 -16.831  10.834
  693    HG3  GLU  86           HG1      GLU  86  -3.179 -15.263  11.603
  694    H    SER  87           HN       SER  87  -0.745 -17.842   8.615
  695    HA   SER  87           HA       SER  87   0.351 -19.896  10.218
  696    HB2  SER  87           HB2      SER  87  -1.630 -21.493   9.965
  697    HB3  SER  87           HB1      SER  87  -1.763 -20.239  11.196
  698    HG   SER  87           HG       SER  87  -2.688 -19.449   8.741
  699    H    PHE  88           HN       PHE  88   1.792 -19.846   8.425
  700    HA   PHE  88           HA       PHE  88   2.807 -21.123   6.866
  701    HB2  PHE  88           HB2      PHE  88   0.670 -23.027   7.792
  702    HB3  PHE  88           HB1      PHE  88   2.028 -23.502   6.769
  703    HD1  PHE  88           HD1      PHE  88   4.253 -23.653   7.655
  704    HD2  PHE  88           HD2      PHE  88   1.013 -22.416  10.119
  705    HE1  PHE  88           HE1      PHE  88   5.648 -23.987   9.650
  706    HE2  PHE  88           HE2      PHE  88   2.404 -22.745  12.120
  707    HZ   PHE  88           HZ       PHE  88   4.724 -23.530  11.887
  708    H    GLU  89           HN       GLU  89   0.535 -19.473   5.696
  709    HA   GLU  89           HA       GLU  89  -0.018 -21.200   3.401
  710    HB2  GLU  89           HB2      GLU  89  -1.201 -18.532   4.153
  711    HB3  GLU  89           HB1      GLU  89  -1.576 -19.398   2.668
  712    HG2  GLU  89           HG2      GLU  89  -2.263 -21.337   4.150
  713    HG3  GLU  89           HG1      GLU  89  -2.194 -20.195   5.488
  714    H    GLN  90           HN       GLN  90   1.375 -21.154   1.778
  715    HA   GLN  90           HA       GLN  90   3.152 -18.914   1.428
  716    HB2  GLN  90           HB2      GLN  90   4.091 -20.278  -0.447
  717    HB3  GLN  90           HB1      GLN  90   4.118 -21.075   1.116
  718    HG2  GLN  90           HG2      GLN  90   2.114 -22.345   0.482
  719    HG3  GLN  90           HG1      GLN  90   2.150 -21.576  -1.103
  720   HE21  GLN  90          HE21      GLN  90   3.686 -22.198  -2.591
  721   HE22  GLN  90          HE22      GLN  90   4.673 -23.604  -2.386
  722    H    THR  91           HN       THR  91   2.408 -17.152   0.501
  723    HA   THR  91           HA       THR  91   0.546 -17.377  -1.745
  724    HB   THR  91           HB       THR  91   1.329 -14.935  -0.141
  725    HG1  THR  91           HG1      THR  91  -0.502 -16.942   0.290
  726   HG21  THR  91          HG21      THR  91   0.573 -14.406  -2.421
  727   HG22  THR  91          HG22      THR  91  -0.593 -13.869  -1.212
  728   HG23  THR  91          HG23      THR  91  -0.901 -15.335  -2.143
  729    H    GLU  92           HN       GLU  92   1.311 -17.115  -3.757
  730    HA   GLU  92           HA       GLU  92   4.017 -16.025  -4.067
  731    HB2  GLU  92           HB2      GLU  92   2.326 -17.582  -6.030
  732    HB3  GLU  92           HB1      GLU  92   3.982 -17.061  -6.293
  733    HG2  GLU  92           HG2      GLU  92   4.726 -18.475  -4.447
  734    HG3  GLU  92           HG1      GLU  92   3.061 -18.999  -4.182
  735    H    LEU  93           HN       LEU  93   4.312 -14.068  -4.876
  736    HA   LEU  93           HA       LEU  93   2.009 -12.706  -6.061
  737    HB2  LEU  93           HB2      LEU  93   4.601 -11.681  -4.926
  738    HB3  LEU  93           HB1      LEU  93   3.467 -10.656  -5.776
  739    HG   LEU  93           HG       LEU  93   3.009 -12.102  -3.170
  740   HD11  LEU  93          HD11      LEU  93   4.339 -10.079  -2.988
  741   HD12  LEU  93          HD12      LEU  93   2.742  -9.844  -2.281
  742   HD13  LEU  93          HD13      LEU  93   3.108  -9.175  -3.869
  743   HD21  LEU  93          HD21      LEU  93   0.940 -12.223  -4.339
  744   HD22  LEU  93          HD22      LEU  93   1.088 -10.558  -4.900
  745   HD23  LEU  93          HD23      LEU  93   0.809 -10.891  -3.190
  746    H    SER  94           HN       SER  94   2.026 -11.851  -8.060
  747    HA   SER  94           HA       SER  94   3.762 -13.174  -9.923
  748    HB2  SER  94           HB2      SER  94   1.332 -12.954 -10.324
  749    HB3  SER  94           HB1      SER  94   1.524 -11.206 -10.435
  750    HG   SER  94           HG       SER  94   1.527 -12.130 -12.496
  751    H    SER  95           HN       SER  95   4.525 -11.846 -11.884
  752    HA   SER  95           HA       SER  95   6.703 -10.366 -11.111
  753    HB2  SER  95           HB2      SER  95   6.694  -9.590 -13.549
  754    HB3  SER  95           HB1      SER  95   6.711 -11.329 -13.258
  755    HG   SER  95           HG       SER  95   4.892  -9.852 -14.570
  756    H    ASP  96           HN       ASP  96   3.514  -9.174 -12.038
  757    HA   ASP  96           HA       ASP  96   4.095  -6.447 -12.221
  758    HB2  ASP  96           HB2      ASP  96   1.538  -7.852 -11.440
  759    HB3  ASP  96           HB1      ASP  96   1.650  -6.119 -11.736
  760    H    TYR  97           HN       TYR  97   3.340  -8.427  -9.414
  761    HA   TYR  97           HA       TYR  97   3.221  -6.209  -7.594
  762    HB2  TYR  97           HB2      TYR  97   3.613  -9.160  -7.060
  763    HB3  TYR  97           HB1      TYR  97   3.293  -7.944  -5.832
  764    HD1  TYR  97           HD1      TYR  97   1.869 -10.011  -8.463
  765    HD2  TYR  97           HD2      TYR  97   1.070  -6.917  -5.656
  766    HE1  TYR  97           HE1      TYR  97  -0.540 -10.393  -8.738
  767    HE2  TYR  97           HE2      TYR  97  -1.345  -7.288  -5.927
  768    HH   TYR  97           HH       TYR  97  -2.900  -8.234  -7.494
  769    H    LEU  98           HN       LEU  98   5.601  -8.454  -8.779
  770    HA   LEU  98           HA       LEU  98   7.581  -8.053  -6.817
  771    HB2  LEU  98           HB2      LEU  98   8.116  -8.764  -9.688
  772    HB3  LEU  98           HB1      LEU  98   9.079  -9.178  -8.285
  773    HG   LEU  98           HG       LEU  98   6.441 -10.350  -9.131
  774   HD11  LEU  98          HD11      LEU  98   8.419 -11.267 -10.194
  775   HD12  LEU  98          HD12      LEU  98   7.700 -12.439  -9.091
  776   HD13  LEU  98          HD13      LEU  98   9.150 -11.556  -8.616
  777   HD21  LEU  98          HD21      LEU  98   6.504 -11.698  -7.092
  778   HD22  LEU  98          HD22      LEU  98   6.318  -9.981  -6.738
  779   HD23  LEU  98          HD23      LEU  98   7.884 -10.762  -6.521
  780    H    LYS  99           HN       LYS  99   6.718  -6.338  -9.728
  781    HA   LYS  99           HA       LYS  99   9.006  -4.732  -9.966
  782    HB2  LYS  99           HB2      LYS  99   6.145  -4.201 -10.730
  783    HB3  LYS  99           HB1      LYS  99   7.472  -3.130 -11.149
  784    HG2  LYS  99           HG2      LYS  99   8.531  -4.938 -12.406
  785    HG3  LYS  99           HG1      LYS  99   7.195  -6.010 -11.986
  786    HD2  LYS  99           HD2      LYS  99   6.896  -5.122 -14.227
  787    HD3  LYS  99           HD1      LYS  99   5.639  -4.510 -13.153
  788    HE2  LYS  99           HE2      LYS  99   6.483  -2.742 -14.599
  789    HE3  LYS  99           HE1      LYS  99   6.868  -2.408 -12.914
  790    HZ1  LYS  99           HZ1      LYS  99   9.112  -3.135 -13.279
  791    HZ2  LYS  99           HZ2      LYS  99   8.726  -1.972 -14.444
  792    HZ3  LYS  99           HZ3      LYS  99   8.755  -3.608 -14.864
  793    H    GLU 100           HN       GLU 100   6.193  -4.487  -7.888
  794    HA   GLU 100           HA       GLU 100   6.787  -1.848  -6.936
  795    HB2  GLU 100           HB2      GLU 100   4.512  -2.912  -6.838
  796    HB3  GLU 100           HB1      GLU 100   5.127  -4.006  -5.607
  797    HG2  GLU 100           HG2      GLU 100   3.917  -2.245  -4.542
  798    HG3  GLU 100           HG1      GLU 100   5.633  -2.046  -4.184
  799    H    GLU 101           HN       GLU 101   7.356  -5.150  -5.856
  800    HA   GLU 101           HA       GLU 101   8.737  -4.590  -3.484
  801    HB2  GLU 101           HB2      GLU 101   9.093  -6.900  -5.396
  802    HB3  GLU 101           HB1      GLU 101   9.701  -6.846  -3.750
  803    HG2  GLU 101           HG2      GLU 101   7.501  -6.855  -2.853
  804    HG3  GLU 101           HG1      GLU 101   6.788  -6.623  -4.450
  805    H    LEU 102           HN       LEU 102   9.823  -4.720  -6.838
  806    HA   LEU 102           HA       LEU 102  12.593  -4.531  -6.187
  807    HB2  LEU 102           HB2      LEU 102  11.150  -3.990  -8.783
  808    HB3  LEU 102           HB1      LEU 102  12.893  -4.069  -8.606
  809    HG   LEU 102           HG       LEU 102  10.940  -6.336  -8.203
  810   HD11  LEU 102          HD11      LEU 102  12.075  -7.332 -10.114
  811   HD12  LEU 102          HD12      LEU 102  13.084  -5.896 -10.271
  812   HD13  LEU 102          HD13      LEU 102  11.344  -5.784 -10.534
  813   HD21  LEU 102          HD21      LEU 102  13.939  -6.321  -7.882
  814   HD22  LEU 102          HD22      LEU 102  12.903  -7.747  -7.836
  815   HD23  LEU 102          HD23      LEU 102  12.754  -6.509  -6.590
  816    H    ASN 103           HN       ASN 103  10.172  -2.365  -5.837
  817    HA   ASN 103           HA       ASN 103  11.879  -0.030  -6.239
  818    HB2  ASN 103           HB2      ASN 103   9.321  -0.106  -6.721
  819    HB3  ASN 103           HB1      ASN 103   9.141   0.000  -4.972
  820   HD21  ASN 103          HD21      ASN 103   8.178   1.998  -5.017
  821   HD22  ASN 103          HD22      ASN 103   9.031   3.441  -5.440
  822    H    TYR 104           HN       TYR 104  10.205  -1.847  -3.684
  823    HA   TYR 104           HA       TYR 104  12.428  -1.275  -1.886
  824    HB2  TYR 104           HB2      TYR 104   9.562  -0.858  -0.998
  825    HB3  TYR 104           HB1      TYR 104  10.998  -0.692  -0.002
  826    HD1  TYR 104           HD1      TYR 104  12.633   1.195  -0.591
  827    HD2  TYR 104           HD2      TYR 104   8.680   0.965  -2.143
  828    HE1  TYR 104           HE1      TYR 104  12.692   3.603  -1.087
  829    HE2  TYR 104           HE2      TYR 104   8.732   3.369  -2.650
  830    HH   TYR 104           HH       TYR 104  11.580   5.214  -2.570
  831    H    LEU 105           HN       LEU 105  13.082  -3.309  -1.348
  832    HA   LEU 105           HA       LEU 105  11.258  -4.917   0.166
  833    HB2  LEU 105           HB2      LEU 105  11.134  -6.868  -1.086
  834    HB3  LEU 105           HB1      LEU 105  10.882  -5.614  -2.271
  835    HG   LEU 105           HG       LEU 105  12.187  -7.268  -3.316
  836   HD11  LEU 105          HD11      LEU 105  14.093  -5.105  -2.490
  837   HD12  LEU 105          HD12      LEU 105  12.957  -5.051  -3.839
  838   HD13  LEU 105          HD13      LEU 105  14.295  -6.201  -3.857
  839   HD21  LEU 105          HD21      LEU 105  14.069  -7.234  -0.970
  840   HD22  LEU 105          HD22      LEU 105  14.286  -8.161  -2.455
  841   HD23  LEU 105          HD23      LEU 105  12.929  -8.513  -1.385
  842    H    LYS 106           HN       LYS 106  12.267  -6.501   1.428
  843    HA   LYS 106           HA       LYS 106  15.136  -6.862   1.136
  844    HB2  LYS 106           HB2      LYS 106  13.832  -5.931   3.689
  845    HB3  LYS 106           HB1      LYS 106  15.442  -6.631   3.619
  846    HG2  LYS 106           HG2      LYS 106  15.848  -4.754   1.846
  847    HG3  LYS 106           HG1      LYS 106  14.470  -3.995   2.642
  848    HD2  LYS 106           HD2      LYS 106  16.540  -3.210   3.629
  849    HD3  LYS 106           HD1      LYS 106  15.640  -4.178   4.796
  850    HE2  LYS 106           HE2      LYS 106  17.128  -5.935   4.687
  851    HE3  LYS 106           HE1      LYS 106  17.687  -5.497   3.074
  852    HZ1  LYS 106           HZ1      LYS 106  18.262  -3.892   5.499
  853    HZ2  LYS 106           HZ2      LYS 106  18.942  -3.708   3.957
  854    HZ3  LYS 106           HZ3      LYS 106  19.303  -5.073   4.887
  855    H    GLU 107           HN       GLU 107  15.897  -8.780   2.013
  856    HA   GLU 107           HA       GLU 107  14.016 -10.886   1.784
  857    HB2  GLU 107           HB2      GLU 107  16.371 -10.979   0.991
  858    HB3  GLU 107           HB1      GLU 107  16.899 -11.001   2.666
  859    HG2  GLU 107           HG2      GLU 107  15.730 -13.113   3.010
  860    HG3  GLU 107           HG1      GLU 107  15.200 -13.091   1.327
  861    H    GLY 108           HN       GLY 108  12.972 -12.027   3.300
  862    HA2  GLY 108           HA2      GLY 108  12.560 -13.010   5.361
  863    HA3  GLY 108           HA1      GLY 108  13.987 -12.213   5.999
  864    H    MET 109           HN       MET 109  12.218  -9.896   4.471
  865    HA   MET 109           HA       MET 109  11.408  -8.781   7.007
  866    HB2  MET 109           HB2      MET 109  12.468  -7.358   5.362
  867    HB3  MET 109           HB1      MET 109  11.217  -7.733   4.185
  868    HG2  MET 109           HG2      MET 109   9.560  -6.626   5.577
  869    HG3  MET 109           HG1      MET 109  10.796  -6.263   6.777
  870    HE1  MET 109           HE1      MET 109  13.251  -5.379   5.459
  871    HE2  MET 109           HE2      MET 109  12.503  -4.255   6.592
  872    HE3  MET 109           HE3      MET 109  13.056  -3.686   5.018
  873    H    GLU 110           HN       GLU 110   9.378  -8.432   7.739
  874    HA   GLU 110           HA       GLU 110   7.200  -9.837   6.466
  875    HB2  GLU 110           HB2      GLU 110   7.245  -8.121   8.956
  876    HB3  GLU 110           HB1      GLU 110   5.896  -9.112   8.427
  877    HG2  GLU 110           HG2      GLU 110   6.898 -10.363  10.099
  878    HG3  GLU 110           HG1      GLU 110   7.497 -11.085   8.609
  879    H    VAL 111           HN       VAL 111   5.867  -8.941   5.030
  880    HA   VAL 111           HA       VAL 111   5.498  -6.015   5.099
  881    HB   VAL 111           HB       VAL 111   5.116  -6.045   2.681
  882   HG11  VAL 111          HG11      VAL 111   7.352  -5.554   3.491
  883   HG12  VAL 111          HG12      VAL 111   7.435  -6.444   1.970
  884   HG13  VAL 111          HG13      VAL 111   7.750  -7.272   3.495
  885   HG21  VAL 111          HG21      VAL 111   4.311  -8.321   2.423
  886   HG22  VAL 111          HG22      VAL 111   5.901  -8.953   2.850
  887   HG23  VAL 111          HG23      VAL 111   5.687  -8.038   1.358
  888    H    GLN 112           HN       GLN 112   3.378  -5.285   4.223
  889    HA   GLN 112           HA       GLN 112   1.326  -7.011   5.388
  890    HB2  GLN 112           HB2      GLN 112   1.073  -4.168   4.415
  891    HB3  GLN 112           HB1      GLN 112  -0.079  -5.039   5.407
  892    HG2  GLN 112           HG2      GLN 112   2.725  -4.435   6.296
  893    HG3  GLN 112           HG1      GLN 112   1.368  -3.350   6.583
  894   HE21  GLN 112          HE21      GLN 112   1.568  -3.537   8.795
  895   HE22  GLN 112          HE22      GLN 112   1.094  -4.962   9.650
  896    H    ILE 113           HN       ILE 113   0.684  -8.488   3.901
  897    HA   ILE 113           HA       ILE 113   0.116  -7.618   1.169
  898    HB   ILE 113           HB       ILE 113  -0.051 -10.389   2.380
  899   HG12  ILE 113          HG12      ILE 113   2.250  -9.567   2.366
  900   HG13  ILE 113          HG11      ILE 113   2.043 -10.837   1.165
  901   HG21  ILE 113          HG21      ILE 113  -0.149 -11.178   0.066
  902   HG22  ILE 113          HG22      ILE 113  -0.154  -9.509  -0.504
  903   HG23  ILE 113          HG23      ILE 113  -1.509 -10.121   0.445
  904   HD11  ILE 113          HD11      ILE 113   1.878  -9.124  -0.580
  905   HD12  ILE 113          HD12      ILE 113   3.411  -9.064   0.288
  906   HD13  ILE 113          HD13      ILE 113   2.151  -7.882   0.639
  907    H    GLN 114           HN       GLN 114  -1.890  -7.032   0.613
  908    HA   GLN 114           HA       GLN 114  -4.059  -7.624   2.485
  909    HB2  GLN 114           HB2      GLN 114  -3.957  -5.641   0.205
  910    HB3  GLN 114           HB1      GLN 114  -5.285  -5.830   1.341
  911    HG2  GLN 114           HG2      GLN 114  -3.759  -5.215   3.177
  912    HG3  GLN 114           HG1      GLN 114  -2.488  -4.937   1.990
  913   HE21  GLN 114          HE21      GLN 114  -3.731  -3.119   3.889
  914   HE22  GLN 114          HE22      GLN 114  -4.331  -1.794   2.949
  915    H    THR 115           HN       THR 115  -5.286  -9.301   2.041
  916    HA   THR 115           HA       THR 115  -5.812  -9.955  -0.769
  917    HB   THR 115           HB       THR 115  -6.457 -12.231   0.091
  918    HG1  THR 115           HG1      THR 115  -6.759 -12.078   2.235
  919   HG21  THR 115          HG21      THR 115  -3.631 -11.316   0.625
  920   HG22  THR 115          HG22      THR 115  -4.279 -11.835  -0.931
  921   HG23  THR 115          HG23      THR 115  -4.139 -12.989   0.394
  922    H    TYR 116           HN       TYR 116  -7.921 -10.505  -1.385
  923    HA   TYR 116           HA       TYR 116 -10.072  -9.847   0.490
  924    HB2  TYR 116           HB2      TYR 116  -9.647  -7.853  -0.875
  925    HB3  TYR 116           HB1      TYR 116  -9.800  -8.808  -2.343
  926    HD1  TYR 116           HD1      TYR 116 -11.752  -7.915   0.710
  927    HD2  TYR 116           HD2      TYR 116 -11.835  -8.798  -3.448
  928    HE1  TYR 116           HE1      TYR 116 -14.148  -7.388   0.654
  929    HE2  TYR 116           HE2      TYR 116 -14.237  -8.278  -3.516
  930    HH   TYR 116           HH       TYR 116 -16.139  -8.159  -2.008
  931    H    GLU 117           HN       GLU 117 -10.943 -11.801   0.696
  932    HA   GLU 117           HA       GLU 117 -11.964 -13.771   0.236
  933    HB2  GLU 117           HB2      GLU 117 -12.529 -12.598  -2.492
  934    HB3  GLU 117           HB1      GLU 117 -13.393 -13.912  -1.708
  935    HG2  GLU 117           HG2      GLU 117 -13.366 -11.016  -0.897
  936    HG3  GLU 117           HG1      GLU 117 -14.712 -11.921  -1.583
  937    H    GLY 118           HN       GLY 118  -9.141 -13.473  -0.303
  938    HA2  GLY 118           HA2      GLY 118  -7.734 -15.327  -0.870
  939    HA3  GLY 118           HA1      GLY 118  -8.841 -15.723  -2.174
  940    H    GLU 119           HN       GLU 119  -8.985 -12.881  -3.021
  941    HA   GLU 119           HA       GLU 119  -6.812 -13.036  -4.883
  942    HB2  GLU 119           HB2      GLU 119  -8.950 -12.271  -5.680
  943    HB3  GLU 119           HB1      GLU 119  -8.996 -10.989  -4.478
  944    HG2  GLU 119           HG2      GLU 119  -7.054  -9.935  -5.561
  945    HG3  GLU 119           HG1      GLU 119  -7.082 -11.195  -6.793
  946    H    THR 120           HN       THR 120  -4.879 -12.040  -4.779
  947    HA   THR 120           HA       THR 120  -4.204 -10.306  -2.609
  948    HB   THR 120           HB       THR 120  -2.078  -9.952  -3.970
  949    HG1  THR 120           HG1      THR 120  -2.877 -10.464  -6.029
  950   HG21  THR 120          HG21      THR 120  -2.902 -12.774  -3.273
  951   HG22  THR 120          HG22      THR 120  -2.207 -11.588  -2.167
  952   HG23  THR 120          HG23      THR 120  -1.243 -12.221  -3.502
  953    H    ILE 121           HN       ILE 121  -5.069  -8.323  -2.514
  954    HA   ILE 121           HA       ILE 121  -5.741  -6.971  -5.004
  955    HB   ILE 121           HB       ILE 121  -6.998  -5.394  -3.580
  956   HG12  ILE 121          HG12      ILE 121  -6.270  -7.278  -1.326
  957   HG13  ILE 121          HG11      ILE 121  -5.545  -5.694  -1.561
  958   HG21  ILE 121          HG21      ILE 121  -7.612  -8.320  -3.200
  959   HG22  ILE 121          HG22      ILE 121  -8.119  -7.299  -4.548
  960   HG23  ILE 121          HG23      ILE 121  -8.753  -7.002  -2.930
  961   HD11  ILE 121          HD11      ILE 121  -7.264  -5.646   0.143
  962   HD12  ILE 121          HD12      ILE 121  -8.450  -6.233  -1.021
  963   HD13  ILE 121          HD13      ILE 121  -7.712  -4.646  -1.238
  964    H    GLY 122           HN       GLY 122  -3.581  -6.636  -2.263
  965    HA2  GLY 122           HA2      GLY 122  -2.129  -4.593  -3.688
  966    HA3  GLY 122           HA1      GLY 122  -2.971  -3.984  -2.275
  967    H    VAL 123           HN       VAL 123  -0.291  -3.773  -2.510
  968    HA   VAL 123           HA       VAL 123   0.662  -5.552  -0.368
  969    HB   VAL 123           HB       VAL 123   2.310  -4.688  -2.762
  970   HG11  VAL 123          HG11      VAL 123   4.017  -6.208  -1.806
  971   HG12  VAL 123          HG12      VAL 123   2.995  -6.401  -0.381
  972   HG13  VAL 123          HG13      VAL 123   3.664  -4.819  -0.778
  973   HG21  VAL 123          HG21      VAL 123   0.713  -6.424  -3.381
  974   HG22  VAL 123          HG22      VAL 123   1.267  -7.426  -2.039
  975   HG23  VAL 123          HG23      VAL 123   2.358  -7.057  -3.374
  976    H    GLU 124           HN       GLU 124   1.431  -4.410   1.312
  977    HA   GLU 124           HA       GLU 124   2.286  -1.637   0.797
  978    HB2  GLU 124           HB2      GLU 124   0.193  -1.817   2.120
  979    HB3  GLU 124           HB1      GLU 124   1.077  -2.726   3.332
  980    HG2  GLU 124           HG2      GLU 124   2.569  -0.768   3.639
  981    HG3  GLU 124           HG1      GLU 124   1.534   0.134   2.533
  982    H    LEU 125           HN       LEU 125   4.349  -1.280   1.146
  983    HA   LEU 125           HA       LEU 125   5.967  -3.180   2.626
  984    HB2  LEU 125           HB2      LEU 125   6.685  -0.652   1.122
  985    HB3  LEU 125           HB1      LEU 125   7.853  -1.662   1.942
  986    HG   LEU 125           HG       LEU 125   8.005  -2.194  -0.352
  987   HD11  LEU 125          HD11      LEU 125   8.061  -4.125   1.128
  988   HD12  LEU 125          HD12      LEU 125   7.390  -4.537  -0.450
  989   HD13  LEU 125          HD13      LEU 125   6.320  -4.328   0.936
  990   HD21  LEU 125          HD21      LEU 125   5.931  -1.235  -1.144
  991   HD22  LEU 125          HD22      LEU 125   5.010  -2.526  -0.374
  992   HD23  LEU 125          HD23      LEU 125   6.090  -2.894  -1.719
  993    HA   PRO 126           HA       PRO 126   6.129  -1.021   6.520
  994    HB2  PRO 126           HB2      PRO 126   8.896  -0.825   6.838
  995    HB3  PRO 126           HB1      PRO 126   7.899  -2.191   7.350
  996    HG2  PRO 126           HG2      PRO 126   9.538  -1.863   4.877
  997    HG3  PRO 126           HG1      PRO 126   9.284  -3.307   5.875
  998    HD2  PRO 126           HD2      PRO 126   8.024  -3.017   3.539
  999    HD3  PRO 126           HD1      PRO 126   7.196  -3.737   4.937
 1000    H    LYS 127           HN       LYS 127   5.986   1.058   7.016
 1001    HA   LYS 127           HA       LYS 127   6.200   3.028   5.079
 1002    HB2  LYS 127           HB2      LYS 127   6.160   3.405   8.075
 1003    HB3  LYS 127           HB1      LYS 127   5.800   4.643   6.881
 1004    HG2  LYS 127           HG2      LYS 127   3.894   3.283   6.099
 1005    HG3  LYS 127           HG1      LYS 127   4.230   2.129   7.391
 1006    HD2  LYS 127           HD2      LYS 127   3.886   3.884   9.054
 1007    HD3  LYS 127           HD1      LYS 127   3.567   5.047   7.767
 1008    HE2  LYS 127           HE2      LYS 127   1.628   3.727   7.065
 1009    HE3  LYS 127           HE1      LYS 127   1.947   2.575   8.358
 1010    HZ1  LYS 127           HZ1      LYS 127   0.239   4.133   9.002
 1011    HZ2  LYS 127           HZ2      LYS 127   1.269   5.441   8.711
 1012    HZ3  LYS 127           HZ3      LYS 127   1.612   4.359   9.963
 1013    H    THR 128           HN       THR 128   8.483   2.080   7.559
 1014    HA   THR 128           HA       THR 128  10.450   3.842   6.270
 1015    HB   THR 128           HB       THR 128  11.646   3.794   8.521
 1016    HG1  THR 128           HG1      THR 128  10.005   2.032   9.193
 1017   HG21  THR 128          HG21      THR 128   8.953   5.152   8.343
 1018   HG22  THR 128          HG22      THR 128  10.482   5.787   7.734
 1019   HG23  THR 128          HG23      THR 128  10.238   5.587   9.470
 1020    H    VAL 129           HN       VAL 129  11.686   2.584   5.054
 1021    HA   VAL 129           HA       VAL 129  12.355  -0.104   6.039
 1022    HB   VAL 129           HB       VAL 129  11.204   0.005   3.855
 1023   HG11  VAL 129          HG11      VAL 129  13.673   1.469   2.933
 1024   HG12  VAL 129          HG12      VAL 129  12.043   2.132   3.046
 1025   HG13  VAL 129          HG13      VAL 129  12.397   0.854   1.883
 1026   HG21  VAL 129          HG21      VAL 129  12.640  -1.879   4.321
 1027   HG22  VAL 129          HG22      VAL 129  14.049  -0.990   3.741
 1028   HG23  VAL 129          HG23      VAL 129  12.765  -1.443   2.617
 1029    H    GLU 130           HN       GLU 130  14.451  -0.685   6.386
 1030    HA   GLU 130           HA       GLU 130  16.454   1.428   6.143
 1031    HB2  GLU 130           HB2      GLU 130  16.803  -1.277   7.430
 1032    HB3  GLU 130           HB1      GLU 130  17.856   0.119   7.573
 1033    HG2  GLU 130           HG2      GLU 130  16.057   1.326   8.739
 1034    HG3  GLU 130           HG1      GLU 130  15.064  -0.129   8.660
 1035    H    LEU 131           HN       LEU 131  17.477   1.506   4.262
 1036    HA   LEU 131           HA       LEU 131  18.091  -1.044   2.936
 1037    HB2  LEU 131           HB2      LEU 131  17.360   1.617   1.717
 1038    HB3  LEU 131           HB1      LEU 131  17.989   0.267   0.793
 1039    HG   LEU 131           HG       LEU 131  15.425   0.182   2.386
 1040   HD11  LEU 131          HD11      LEU 131  14.303   0.263   0.206
 1041   HD12  LEU 131          HD12      LEU 131  15.858   0.554  -0.572
 1042   HD13  LEU 131          HD13      LEU 131  15.195   1.744   0.546
 1043   HD21  LEU 131          HD21      LEU 131  15.012  -1.869   1.126
 1044   HD22  LEU 131          HD22      LEU 131  16.478  -1.994   2.093
 1045   HD23  LEU 131          HD23      LEU 131  16.592  -1.717   0.358
 1046    H    THR 132           HN       THR 132  20.113  -1.428   2.380
 1047    HA   THR 132           HA       THR 132  22.181   0.415   3.178
 1048    HB   THR 132           HB       THR 132  22.664  -2.106   1.618
 1049    HG1  THR 132           HG1      THR 132  21.179  -2.694   3.243
 1050   HG21  THR 132          HG21      THR 132  24.127  -0.796   3.914
 1051   HG22  THR 132          HG22      THR 132  24.565  -0.658   2.212
 1052   HG23  THR 132          HG23      THR 132  24.658  -2.223   3.022
 1053    H    VAL 133           HN       VAL 133  23.285   1.771   1.865
 1054    HA   VAL 133           HA       VAL 133  22.396   2.024  -0.864
 1055    HB   VAL 133           HB       VAL 133  22.704   4.059   0.372
 1056   HG11  VAL 133          HG11      VAL 133  24.379   3.342   1.960
 1057   HG12  VAL 133          HG12      VAL 133  24.899   4.816   1.140
 1058   HG13  VAL 133          HG13      VAL 133  25.587   3.257   0.678
 1059   HG21  VAL 133          HG21      VAL 133  24.841   3.781  -1.737
 1060   HG22  VAL 133          HG22      VAL 133  24.176   5.301  -1.139
 1061   HG23  VAL 133          HG23      VAL 133  23.145   4.174  -2.019
 1062    H    THR 134           HN       THR 134  23.220   1.039  -2.495
 1063    HA   THR 134           HA       THR 134  26.056   0.256  -2.475
 1064    HB   THR 134           HB       THR 134  25.380  -1.715  -3.869
 1065    HG1  THR 134           HG1      THR 134  23.247  -0.696  -4.370
 1066   HG21  THR 134          HG21      THR 134  24.515  -3.065  -2.012
 1067   HG22  THR 134          HG22      THR 134  24.124  -1.592  -1.124
 1068   HG23  THR 134          HG23      THR 134  25.805  -1.990  -1.475
 1069    H    GLU 135           HN       GLU 135  27.169   0.939  -4.202
 1070    HA   GLU 135           HA       GLU 135  27.716   1.870  -6.183
 1071    HB2  GLU 135           HB2      GLU 135  26.124   0.333  -7.277
 1072    HB3  GLU 135           HB1      GLU 135  24.834   1.498  -7.014
 1073    HG2  GLU 135           HG2      GLU 135  26.013   3.116  -8.422
 1074    HG3  GLU 135           HG1      GLU 135  27.296   1.938  -8.691
 1075    H    THR 136           HN       THR 136  28.140   3.691  -4.992
 1076    HA   THR 136           HA       THR 136  26.696   5.977  -6.015
 1077    HB   THR 136           HB       THR 136  25.667   5.536  -3.764
 1078    HG1  THR 136           HG1      THR 136  25.971   7.694  -4.760
 1079   HG21  THR 136          HG21      THR 136  27.614   4.664  -2.588
 1080   HG22  THR 136          HG22      THR 136  26.988   6.087  -1.757
 1081   HG23  THR 136          HG23      THR 136  28.434   6.215  -2.758
 1082    H    GLU 137           HN       GLU 137  28.045   7.938  -5.878
 1083    HA   GLU 137           HA       GLU 137  30.821   7.225  -6.291
 1084    HB2  GLU 137           HB2      GLU 137  29.400   9.884  -6.530
 1085    HB3  GLU 137           HB1      GLU 137  31.074   9.593  -6.972
 1086    HG2  GLU 137           HG2      GLU 137  30.373   8.034  -8.695
 1087    HG3  GLU 137           HG1      GLU 137  28.687   8.268  -8.238
 1088    HA   PRO 138           HA       PRO 138  31.696   8.633  -2.099
 1089    HB2  PRO 138           HB2      PRO 138  33.796   7.055  -1.656
 1090    HB3  PRO 138           HB1      PRO 138  32.158   6.394  -1.716
 1091    HG2  PRO 138           HG2      PRO 138  34.333   6.250  -3.737
 1092    HG3  PRO 138           HG1      PRO 138  33.071   5.069  -3.359
 1093    HD2  PRO 138           HD2      PRO 138  33.061   6.946  -5.476
 1094    HD3  PRO 138           HD1      PRO 138  31.708   5.928  -4.950
 1095    H    GLY 139           HN       GLY 139  33.479   9.741  -1.067
 1096    HA2  GLY 139           HA2      GLY 139  35.648  10.708  -1.070
 1097    HA3  GLY 139           HA1      GLY 139  35.691  10.541  -2.816
 1098    H    ILE 140           HN       ILE 140  32.706  11.672  -2.182
 1099    HA   ILE 140           HA       ILE 140  33.598  14.439  -2.609
 1100    HB   ILE 140           HB       ILE 140  32.380  13.664  -4.509
 1101   HG12  ILE 140          HG12      ILE 140  30.527  15.374  -2.840
 1102   HG13  ILE 140          HG11      ILE 140  31.904  15.967  -3.761
 1103   HG21  ILE 140          HG21      ILE 140  30.175  12.840  -2.628
 1104   HG22  ILE 140          HG22      ILE 140  31.238  11.766  -3.539
 1105   HG23  ILE 140          HG23      ILE 140  30.089  12.799  -4.390
 1106   HD11  ILE 140          HD11      ILE 140  29.830  16.367  -4.944
 1107   HD12  ILE 140          HD12      ILE 140  29.453  14.646  -4.897
 1108   HD13  ILE 140          HD13      ILE 140  30.837  15.219  -5.828
 1109    H    LYS 141           HN       LYS 141  33.601  15.474  -0.731
 1110    HA   LYS 141           HA       LYS 141  31.136  15.740   0.743
 1111    HB2  LYS 141           HB2      LYS 141  32.086  15.085   2.906
 1112    HB3  LYS 141           HB1      LYS 141  32.090  13.732   1.783
 1113    HG2  LYS 141           HG2      LYS 141  34.467  14.115   1.340
 1114    HG3  LYS 141           HG1      LYS 141  34.456  15.456   2.485
 1115    HD2  LYS 141           HD2      LYS 141  33.764  13.880   4.262
 1116    HD3  LYS 141           HD1      LYS 141  33.900  12.557   3.102
 1117    HE2  LYS 141           HE2      LYS 141  35.906  12.676   4.450
 1118    HE3  LYS 141           HE1      LYS 141  36.278  13.111   2.783
 1119    HZ1  LYS 141           HZ1      LYS 141  37.354  14.610   4.316
 1120    HZ2  LYS 141           HZ2      LYS 141  35.878  15.012   5.031
 1121    HZ3  LYS 141           HZ3      LYS 141  36.191  15.450   3.426
 1122    H    GLY 142           HN       GLY 142  31.374  17.392   2.494
 1123    HA2  GLY 142           HA2      GLY 142  32.613  19.242   3.411
 1124    HA3  GLY 142           HA1      GLY 142  33.606  19.241   1.959
 1125    H    ASP 143           HN       ASP 143  31.353  18.897   0.197
 1126    HA   ASP 143           HA       ASP 143  30.310  21.622   0.204
 1127    HB2  ASP 143           HB2      ASP 143  31.333  20.808  -1.876
 1128    HB3  ASP 143           HB1      ASP 143  30.212  19.452  -1.912
 1129    H    THR 144           HN       THR 144  28.805  21.434   1.851
 1130    HA   THR 144           HA       THR 144  26.852  19.311   1.801
 1131    HB   THR 144           HB       THR 144  26.969  21.722   3.621
 1132    HG1  THR 144           HG1      THR 144  28.486  19.433   3.493
 1133   HG21  THR 144          HG21      THR 144  25.598  19.045   3.936
 1134   HG22  THR 144          HG22      THR 144  24.795  20.578   3.596
 1135   HG23  THR 144          HG23      THR 144  25.625  20.340   5.133
 1136    H    ALA 145           HN       ALA 145  26.807  22.860   1.533
 1137    HA   ALA 145           HA       ALA 145  25.281  24.310   0.663
 1138    HB1  ALA 145           HB1      ALA 145  24.570  23.797  -1.609
 1139    HB2  ALA 145           HB2      ALA 145  25.010  22.105  -1.377
 1140    HB3  ALA 145           HB3      ALA 145  26.258  23.349  -1.365
 1141    H    THR 146           HN       THR 146  24.069  23.404   2.720
 1142    HA   THR 146           HA       THR 146  22.050  23.126   3.717
 1143    HB   THR 146           HB       THR 146  20.940  23.223   0.906
 1144    HG1  THR 146           HG1      THR 146  21.616  25.233   1.309
 1145   HG21  THR 146          HG21      THR 146  18.769  23.665   1.993
 1146   HG22  THR 146          HG22      THR 146  19.507  23.357   3.564
 1147   HG23  THR 146          HG23      THR 146  19.386  22.059   2.379
 1148    H    GLY 147           HN       GLY 147  22.080  21.172   0.723
 1149    HA2  GLY 147           HA2      GLY 147  22.328  18.721   2.103
 1150    HA3  GLY 147           HA1      GLY 147  20.633  19.009   1.734
 1151    H    ALA 148           HN       ALA 148  23.654  19.611  -0.055
 1152    HA   ALA 148           HA       ALA 148  22.628  18.952  -2.574
 1153    HB1  ALA 148           HB1      ALA 148  25.484  18.787  -1.619
 1154    HB2  ALA 148           HB2      ALA 148  24.693  20.213  -2.292
 1155    HB3  ALA 148           HB3      ALA 148  24.957  18.791  -3.302
 1156    H    THR 149           HN       THR 149  22.499  17.068  -3.727
 1157    HA   THR 149           HA       THR 149  23.142  14.619  -2.234
 1158    HB   THR 149           HB       THR 149  21.022  13.648  -3.199
 1159    HG1  THR 149           HG1      THR 149  20.072  16.290  -3.454
 1160   HG21  THR 149          HG21      THR 149  21.181  14.313  -0.852
 1161   HG22  THR 149          HG22      THR 149  19.572  14.651  -1.489
 1162   HG23  THR 149          HG23      THR 149  20.732  15.963  -1.280
 1163    H    LYS 150           HN       LYS 150  23.169  12.676  -3.558
 1164    HA   LYS 150           HA       LYS 150  23.847  13.135  -6.378
 1165    HB2  LYS 150           HB2      LYS 150  25.658  11.440  -6.128
 1166    HB3  LYS 150           HB1      LYS 150  25.946  12.899  -5.193
 1167    HG2  LYS 150           HG2      LYS 150  25.029  11.692  -3.197
 1168    HG3  LYS 150           HG1      LYS 150  25.021  10.225  -4.176
 1169    HD2  LYS 150           HD2      LYS 150  27.434  10.435  -4.513
 1170    HD3  LYS 150           HD1      LYS 150  27.444  11.914  -3.550
 1171    HE2  LYS 150           HE2      LYS 150  26.585  10.618  -1.625
 1172    HE3  LYS 150           HE1      LYS 150  26.696   9.152  -2.596
 1173    HZ1  LYS 150           HZ1      LYS 150  29.118   9.656  -2.838
 1174    HZ2  LYS 150           HZ2      LYS 150  28.627   9.272  -1.261
 1175    HZ3  LYS 150           HZ3      LYS 150  28.925  10.882  -1.682
 1176    H    SER 151           HN       SER 151  23.320  11.408  -7.768
 1177    HA   SER 151           HA       SER 151  21.047   9.902  -6.916
 1178    HB2  SER 151           HB2      SER 151  21.337  10.862  -9.220
 1179    HB3  SER 151           HB1      SER 151  22.576   9.646  -9.517
 1180    HG   SER 151           HG       SER 151  19.855   9.139  -8.858
 1181    H    ALA 152           HN       ALA 152  21.456   8.356  -5.488
 1182    HA   ALA 152           HA       ALA 152  23.648   6.451  -6.003
 1183    HB1  ALA 152           HB1      ALA 152  23.779   7.588  -3.855
 1184    HB2  ALA 152           HB2      ALA 152  23.424   5.876  -3.618
 1185    HB3  ALA 152           HB3      ALA 152  22.137   7.071  -3.463
 1186    H    THR 153           HN       THR 153  23.145   4.193  -5.217
 1187    HA   THR 153           HA       THR 153  20.322   3.499  -5.708
 1188    HB   THR 153           HB       THR 153  22.620   1.639  -6.300
 1189    HG1  THR 153           HG1      THR 153  22.862   3.573  -7.551
 1190   HG21  THR 153          HG21      THR 153  20.984   0.599  -7.808
 1191   HG22  THR 153          HG22      THR 153  19.789   1.813  -7.352
 1192   HG23  THR 153          HG23      THR 153  20.375   0.659  -6.154
 1193    H    VAL 154           HN       VAL 154  19.427   1.943  -4.315
 1194    HA   VAL 154           HA       VAL 154  21.181   1.117  -2.112
 1195    HB   VAL 154           HB       VAL 154  18.948   0.559  -0.947
 1196   HG11  VAL 154          HG11      VAL 154  20.354   2.330  -0.171
 1197   HG12  VAL 154          HG12      VAL 154  18.700   2.934  -0.224
 1198   HG13  VAL 154          HG13      VAL 154  19.844   3.379  -1.490
 1199   HG21  VAL 154          HG21      VAL 154  17.949   2.548  -2.981
 1200   HG22  VAL 154          HG22      VAL 154  17.028   1.824  -1.662
 1201   HG23  VAL 154          HG23      VAL 154  17.585   0.825  -3.004
 1202    H    GLU 155           HN       GLU 155  20.425  -1.034  -1.085
 1203    HA   GLU 155           HA       GLU 155  21.064  -3.069  -2.824
 1204    HB2  GLU 155           HB2      GLU 155  20.273  -4.603  -1.043
 1205    HB3  GLU 155           HB1      GLU 155  21.297  -3.307  -0.441
 1206    HG2  GLU 155           HG2      GLU 155  19.285  -2.083   0.269
 1207    HG3  GLU 155           HG1      GLU 155  18.296  -3.444  -0.261
 1208    H    THR 156           HN       THR 156  17.882  -1.804  -2.108
 1209    HA   THR 156           HA       THR 156  16.445  -4.019  -3.175
 1210    HB   THR 156           HB       THR 156  15.492  -2.489  -1.465
 1211    HG1  THR 156           HG1      THR 156  14.172  -2.983  -3.909
 1212   HG21  THR 156          HG21      THR 156  15.329  -0.555  -3.769
 1213   HG22  THR 156          HG22      THR 156  16.294  -0.369  -2.309
 1214   HG23  THR 156          HG23      THR 156  14.536  -0.348  -2.209
 1215    H    GLY 157           HN       GLY 157  18.195  -1.589  -4.690
 1216    HA2  GLY 157           HA2      GLY 157  18.475  -1.497  -7.040
 1217    HA3  GLY 157           HA1      GLY 157  16.872  -2.186  -7.237
 1218    H    TYR 158           HN       TYR 158  16.429   0.042  -4.974
 1219    HA   TYR 158           HA       TYR 158  15.175   1.886  -6.762
 1220    HB2  TYR 158           HB2      TYR 158  14.125   1.338  -4.641
 1221    HB3  TYR 158           HB1      TYR 158  15.533   1.918  -3.763
 1222    HD1  TYR 158           HD1      TYR 158  12.826   3.057  -6.039
 1223    HD2  TYR 158           HD2      TYR 158  15.626   4.132  -3.026
 1224    HE1  TYR 158           HE1      TYR 158  11.785   5.274  -5.869
 1225    HE2  TYR 158           HE2      TYR 158  14.584   6.351  -2.847
 1226    HH   TYR 158           HH       TYR 158  13.229   7.869  -4.246
 1227    H    THR 159           HN       THR 159  15.832   3.862  -7.381
 1228    HA   THR 159           HA       THR 159  18.518   4.702  -6.613
 1229    HB   THR 159           HB       THR 159  17.798   6.473  -8.526
 1230    HG1  THR 159           HG1      THR 159  16.387   5.587  -9.930
 1231   HG21  THR 159          HG21      THR 159  19.809   5.075  -8.539
 1232   HG22  THR 159          HG22      THR 159  19.010   5.040 -10.110
 1233   HG23  THR 159          HG23      THR 159  18.842   3.676  -9.003
 1234    H    LEU 160           HN       LEU 160  18.897   6.489  -5.420
 1235    HA   LEU 160           HA       LEU 160  16.717   8.341  -4.862
 1236    HB2  LEU 160           HB2      LEU 160  17.684   8.032  -2.351
 1237    HB3  LEU 160           HB1      LEU 160  16.238   7.260  -2.959
 1238    HG   LEU 160           HG       LEU 160  17.638   5.250  -3.514
 1239   HD11  LEU 160          HD11      LEU 160  19.821   5.003  -2.653
 1240   HD12  LEU 160          HD12      LEU 160  19.719   6.514  -1.756
 1241   HD13  LEU 160          HD13      LEU 160  19.813   6.540  -3.515
 1242   HD21  LEU 160          HD21      LEU 160  17.616   6.110  -0.627
 1243   HD22  LEU 160          HD22      LEU 160  17.722   4.454  -1.226
 1244   HD23  LEU 160          HD23      LEU 160  16.258   5.398  -1.497
 1245    H    ASN 161           HN       ASN 161  17.361  10.358  -4.148
 1246    HA   ASN 161           HA       ASN 161  20.136  11.022  -4.656
 1247    HB2  ASN 161           HB2      ASN 161  17.771  12.757  -3.897
 1248    HB3  ASN 161           HB1      ASN 161  19.375  13.365  -4.290
 1249   HD21  ASN 161          HD21      ASN 161  16.828  13.884  -5.573
 1250   HD22  ASN 161          HD22      ASN 161  17.016  13.411  -7.228
 1251    H    VAL 162           HN       VAL 162  21.450  10.434  -3.030
 1252    HA   VAL 162           HA       VAL 162  20.645  11.011  -0.264
 1253    HB   VAL 162           HB       VAL 162  22.531   9.560   0.404
 1254   HG11  VAL 162          HG11      VAL 162  21.569   7.431  -0.357
 1255   HG12  VAL 162          HG12      VAL 162  20.626   8.305  -1.566
 1256   HG13  VAL 162          HG13      VAL 162  20.329   8.579   0.151
 1257   HG21  VAL 162          HG21      VAL 162  24.004   9.938  -1.491
 1258   HG22  VAL 162          HG22      VAL 162  22.869   9.114  -2.559
 1259   HG23  VAL 162          HG23      VAL 162  23.694   8.214  -1.286
 1260    HA   PRO 163           HA       PRO 163  23.444  14.450   0.222
 1261    HB2  PRO 163           HB2      PRO 163  24.303  13.012   2.693
 1262    HB3  PRO 163           HB1      PRO 163  23.783  14.689   2.495
 1263    HG2  PRO 163           HG2      PRO 163  22.157  12.883   3.581
 1264    HG3  PRO 163           HG1      PRO 163  21.533  14.132   2.488
 1265    HD2  PRO 163           HD2      PRO 163  22.006  11.232   1.984
 1266    HD3  PRO 163           HD1      PRO 163  20.741  12.301   1.345
 1267    H    LEU 164           HN       LEU 164  25.605  14.901  -0.089
 1268    HA   LEU 164           HA       LEU 164  26.920  13.035  -1.691
 1269    HB2  LEU 164           HB2      LEU 164  28.097  15.499  -0.413
 1270    HB3  LEU 164           HB1      LEU 164  28.738  14.646  -1.803
 1271    HG   LEU 164           HG       LEU 164  26.109  16.126  -1.693
 1272   HD11  LEU 164          HD11      LEU 164  28.659  16.774  -3.160
 1273   HD12  LEU 164          HD12      LEU 164  28.095  17.568  -1.690
 1274   HD13  LEU 164          HD13      LEU 164  27.163  17.710  -3.181
 1275   HD21  LEU 164          HD21      LEU 164  25.911  14.246  -3.179
 1276   HD22  LEU 164          HD22      LEU 164  27.451  14.640  -3.945
 1277   HD23  LEU 164          HD23      LEU 164  26.070  15.720  -4.135
 1278    H    PHE 165           HN       PHE 165  27.148  13.504   1.734
 1279    HA   PHE 165           HA       PHE 165  29.775  12.296   1.913
 1280    HB2  PHE 165           HB2      PHE 165  29.444  12.578   4.391
 1281    HB3  PHE 165           HB1      PHE 165  29.380  14.067   3.458
 1282    HD1  PHE 165           HD1      PHE 165  27.300  11.560   5.225
 1283    HD2  PHE 165           HD2      PHE 165  27.471  15.437   3.470
 1284    HE1  PHE 165           HE1      PHE 165  25.127  12.111   6.235
 1285    HE2  PHE 165           HE2      PHE 165  25.297  15.991   4.477
 1286    HZ   PHE 165           HZ       PHE 165  24.122  14.328   5.861
 1287    H    VAL 166           HN       VAL 166  26.945  10.951   1.271
 1288    HA   VAL 166           HA       VAL 166  27.026   8.720   3.111
 1289    HB   VAL 166           HB       VAL 166  25.393   9.168   0.600
 1290   HG11  VAL 166          HG11      VAL 166  25.117   7.003   2.676
 1291   HG12  VAL 166          HG12      VAL 166  25.739   6.775   1.042
 1292   HG13  VAL 166          HG13      VAL 166  24.059   7.260   1.288
 1293   HG21  VAL 166          HG21      VAL 166  24.840  10.690   2.418
 1294   HG22  VAL 166          HG22      VAL 166  24.662   9.324   3.518
 1295   HG23  VAL 166          HG23      VAL 166  23.545   9.519   2.170
 1296    H    ASN 167           HN       ASN 167  27.844   6.685   2.714
 1297    HA   ASN 167           HA       ASN 167  29.373   6.368   0.208
 1298    HB2  ASN 167           HB2      ASN 167  30.196   5.699   3.033
 1299    HB3  ASN 167           HB1      ASN 167  31.020   5.044   1.627
 1300   HD21  ASN 167          HD21      ASN 167  30.406   7.876   3.530
 1301   HD22  ASN 167          HD22      ASN 167  31.634   8.864   2.823
 1302    H    GLU 168           HN       GLU 168  29.742   4.151  -0.454
 1303    HA   GLU 168           HA       GLU 168  27.434   2.565  -0.392
 1304    HB2  GLU 168           HB2      GLU 168  30.267   1.732  -1.043
 1305    HB3  GLU 168           HB1      GLU 168  28.818   0.826  -1.451
 1306    HG2  GLU 168           HG2      GLU 168  28.080   2.658  -2.887
 1307    HG3  GLU 168           HG1      GLU 168  29.542   3.558  -2.484
 1308    H    GLY 169           HN       GLY 169  26.646   1.379   1.206
 1309    HA2  GLY 169           HA2      GLY 169  27.109  -0.548   2.693
 1310    HA3  GLY 169           HA1      GLY 169  28.547   0.320   3.206
 1311    H    ASP 170           HN       ASP 170  26.787   2.848   3.043
 1312    HA   ASP 170           HA       ASP 170  26.046   2.984   5.755
 1313    HB2  ASP 170           HB2      ASP 170  25.571   4.708   3.370
 1314    HB3  ASP 170           HB1      ASP 170  24.592   4.991   4.803
 1315    H    VAL 171           HN       VAL 171  24.143   2.685   6.808
 1316    HA   VAL 171           HA       VAL 171  21.958   1.479   5.264
 1317    HB   VAL 171           HB       VAL 171  22.358   1.521   8.266
 1318   HG11  VAL 171          HG11      VAL 171  20.588  -0.180   8.297
 1319   HG12  VAL 171          HG12      VAL 171  20.389  -0.000   6.554
 1320   HG13  VAL 171          HG13      VAL 171  20.012   1.347   7.628
 1321   HG21  VAL 171          HG21      VAL 171  22.820  -0.715   6.290
 1322   HG22  VAL 171          HG22      VAL 171  22.980  -0.828   8.043
 1323   HG23  VAL 171          HG23      VAL 171  24.077   0.201   7.122
 1324    H    LEU 172           HN       LEU 172  20.650   3.013   4.522
 1325    HA   LEU 172           HA       LEU 172  19.922   5.186   6.355
 1326    HB2  LEU 172           HB2      LEU 172  19.333   6.361   4.100
 1327    HB3  LEU 172           HB1      LEU 172  20.983   6.319   4.682
 1328    HG   LEU 172           HG       LEU 172  21.206   4.207   3.178
 1329   HD11  LEU 172          HD11      LEU 172  19.802   4.279   1.181
 1330   HD12  LEU 172          HD12      LEU 172  18.835   5.561   1.912
 1331   HD13  LEU 172          HD13      LEU 172  18.863   3.953   2.637
 1332   HD21  LEU 172          HD21      LEU 172  20.996   6.982   2.029
 1333   HD22  LEU 172          HD22      LEU 172  21.824   5.621   1.275
 1334   HD23  LEU 172          HD23      LEU 172  22.412   6.272   2.805
 1335    H    ILE 173           HN       ILE 173  17.755   5.963   6.301
 1336    HA   ILE 173           HA       ILE 173  15.932   3.724   5.772
 1337    HB   ILE 173           HB       ILE 173  15.534   6.063   7.642
 1338   HG12  ILE 173          HG12      ILE 173  16.314   3.203   8.255
 1339   HG13  ILE 173          HG11      ILE 173  17.388   4.592   8.352
 1340   HG21  ILE 173          HG21      ILE 173  13.688   4.724   8.547
 1341   HG22  ILE 173          HG22      ILE 173  13.977   3.500   7.311
 1342   HG23  ILE 173          HG23      ILE 173  13.440   5.114   6.844
 1343   HD11  ILE 173          HD11      ILE 173  14.928   4.145  10.025
 1344   HD12  ILE 173          HD12      ILE 173  16.004   5.538  10.124
 1345   HD13  ILE 173          HD13      ILE 173  16.598   3.931  10.549
 1346    H    ILE 174           HN       ILE 174  14.200   3.949   4.446
 1347    HA   ILE 174           HA       ILE 174  13.705   6.643   3.348
 1348    HB   ILE 174           HB       ILE 174  13.410   4.036   1.832
 1349   HG12  ILE 174          HG12      ILE 174  15.271   5.150   0.401
 1350   HG13  ILE 174          HG11      ILE 174  15.591   6.106   1.843
 1351   HG21  ILE 174          HG21      ILE 174  11.820   5.718   1.106
 1352   HG22  ILE 174          HG22      ILE 174  13.059   5.480  -0.127
 1353   HG23  ILE 174          HG23      ILE 174  13.119   6.897   0.921
 1354   HD11  ILE 174          HD11      ILE 174  16.132   4.152   3.095
 1355   HD12  ILE 174          HD12      ILE 174  17.039   4.110   1.582
 1356   HD13  ILE 174          HD13      ILE 174  15.606   3.105   1.782
 1357    H    ASN 175           HN       ASN 175  11.618   7.295   3.159
 1358    HA   ASN 175           HA       ASN 175   9.565   5.717   4.466
 1359    HB2  ASN 175           HB2      ASN 175   9.689   8.136   4.896
 1360    HB3  ASN 175           HB1      ASN 175   9.478   8.463   3.181
 1361   HD21  ASN 175          HD21      ASN 175   7.931   7.416   6.113
 1362   HD22  ASN 175          HD22      ASN 175   6.306   7.602   5.554
 1363    H    THR 176           HN       THR 176   8.692   4.137   3.296
 1364    HA   THR 176           HA       THR 176   8.932   3.962   0.488
 1365    HB   THR 176           HB       THR 176   7.400   1.986   0.730
 1366    HG1  THR 176           HG1      THR 176   7.504   1.796   3.405
 1367   HG21  THR 176          HG21      THR 176   9.815   1.734   0.934
 1368   HG22  THR 176          HG22      THR 176   8.986   0.658   2.060
 1369   HG23  THR 176          HG23      THR 176   9.726   2.147   2.646
 1370    H    GLY 177           HN       GLY 177   7.214   3.744  -1.082
 1371    HA2  GLY 177           HA2      GLY 177   5.187   4.261  -2.065
 1372    HA3  GLY 177           HA1      GLY 177   4.580   4.721  -0.482
 1373    H    ASP 178           HN       ASP 178   6.075   6.733   0.324
 1374    HA   ASP 178           HA       ASP 178   5.251   8.835  -1.487
 1375    HB2  ASP 178           HB2      ASP 178   4.708   9.083   0.848
 1376    HB3  ASP 178           HB1      ASP 178   6.396   8.902   1.306
 1377    H    GLY 179           HN       GLY 179   8.264   7.703   0.020
 1378    HA2  GLY 179           HA2      GLY 179  10.237   7.500  -1.301
 1379    HA3  GLY 179           HA1      GLY 179   9.673   8.827  -2.300
 1380    H    SER 180           HN       SER 180   9.149   9.655   0.865
 1381    HA   SER 180           HA       SER 180  11.131  11.646   0.898
 1382    HB2  SER 180           HB2      SER 180   9.350  10.522   3.054
 1383    HB3  SER 180           HB1      SER 180  10.497  11.821   3.366
 1384    HG   SER 180           HG       SER 180   8.239  11.817   1.646
 1385    H    TYR 181           HN       TYR 181  13.066  11.820   2.019
 1386    HA   TYR 181           HA       TYR 181  14.315   9.231   2.545
 1387    HB2  TYR 181           HB2      TYR 181  15.395  10.610   0.859
 1388    HB3  TYR 181           HB1      TYR 181  15.514  11.949   1.990
 1389    HD1  TYR 181           HD1      TYR 181  16.716   8.480   1.379
 1390    HD2  TYR 181           HD2      TYR 181  17.396  12.182   3.361
 1391    HE1  TYR 181           HE1      TYR 181  18.954   7.709   2.050
 1392    HE2  TYR 181           HE2      TYR 181  19.630  11.420   4.040
 1393    HH   TYR 181           HH       TYR 181  21.098   8.632   2.726
 1394    H    ILE 182           HN       ILE 182  14.694   8.602   4.522
 1395    HA   ILE 182           HA       ILE 182  14.772  10.533   6.725
 1396    HB   ILE 182           HB       ILE 182  14.542   7.515   6.673
 1397   HG12  ILE 182          HG12      ILE 182  12.504   8.079   8.107
 1398   HG13  ILE 182          HG11      ILE 182  12.761   9.753   7.632
 1399   HG21  ILE 182          HG21      ILE 182  14.939   9.239   9.110
 1400   HG22  ILE 182          HG22      ILE 182  16.079   8.057   8.471
 1401   HG23  ILE 182          HG23      ILE 182  14.527   7.525   9.120
 1402   HD11  ILE 182          HD11      ILE 182  11.062   8.713   6.272
 1403   HD12  ILE 182          HD12      ILE 182  12.193   7.450   5.786
 1404   HD13  ILE 182          HD13      ILE 182  12.470   9.121   5.291
 1405    H    SER 183           HN       SER 183  16.605  10.400   8.252
 1406    HA   SER 183           HA       SER 183  18.983  10.579   6.679
 1407    HB2  SER 183           HB2      SER 183  18.653  10.873   9.672
 1408    HB3  SER 183           HB1      SER 183  19.995  11.470   8.698
 1409    HG   SER 183           HG       SER 183  17.925  12.486   7.554
 1410    H    ARG 184           HN       ARG 184  21.078   9.755   7.648
 1411    HA   ARG 184           HA       ARG 184  21.112   6.964   7.358
 1412    HB2  ARG 184           HB2      ARG 184  23.257   8.765   8.486
 1413    HB3  ARG 184           HB1      ARG 184  23.495   7.145   7.844
 1414    HG2  ARG 184           HG2      ARG 184  23.124   7.827   5.649
 1415    HG3  ARG 184           HG1      ARG 184  22.334   9.323   6.150
 1416    HD2  ARG 184           HD2      ARG 184  24.518   9.859   5.330
 1417    HD3  ARG 184           HD1      ARG 184  24.503  10.093   7.072
 1418    HE   ARG 184           HE       ARG 184  25.479   7.524   6.128
 1419   HH11  ARG 184          HH11      ARG 184  26.239  10.732   7.300
 1420   HH12  ARG 184          HH12      ARG 184  27.887  10.340   7.666
 1421   HH21  ARG 184          HH21      ARG 184  27.633   7.004   6.608
 1422   HH22  ARG 184          HH22      ARG 184  28.689   8.227   7.267
 1423    H    GLY 185           HN       GLY 185  21.513   5.300   8.810
 1424    HA2  GLY 185           HA2      GLY 185  20.784   5.849  11.576
 1425    HA3  GLY 185           HA1      GLY 185  21.007   4.263  10.846