*HEADER    LIPID BINDING PROTEIN                   07-FEB-04   1SA8              
*TITLE     THE NMR STRUCTURE OF A STABLE AND COMPACT ALL-BETA-SHEET              
*TITLE    2 VARIANT OF INTESTINAL FATTY ACID-BINDING PROTEIN                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: FATTY ACID-BINDING PROTEIN, INTESTINAL;                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: D27-GG;                                                    
*COMPND   5 SYNONYM: I-FABP, FABPI;                                              
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS;                              
*SOURCE   3 ORGANISM_COMMON: RAT;                                                
*SOURCE   4 GENE: FABP2;                                                         
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: MG1655;                                    
*SOURCE   8 EXPRESSION_SYSTEM_CELL: SMALL INTESTINAL ENTEROCYTE;                 
*SOURCE   9 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM;                      
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  11 EXPRESSION_SYSTEM_PLASMID: PMON5840-IFABP(DELTA17SG)                 
*KEYWDS    INTESTINAL FATTY ACID-BINDING PROTEIN, PROTEIN STABILITY,             
*KEYWDS   2 PROTEIN STRUCTURE, NMR                                               
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    B.OGBAY, G.DEKOSTER, D.CISTOLA                                        
*REVDAT   1   08-JUN-04 1SA8    0                                                
ASSI  {   35} 
   (( resid 16 and name HA ))   
   (( resid 2 and name HB2 ))   
3.800  1.800  1.800  peak   35  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.730   ppm2  3.197   CV     1  
 
ASSI  {   48} 
   (( resid 17 and name HN ))   
   (( resid 3 and name HN ))   
2.800  2.800  3.200  peak   48  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.073   ppm2  7.895   CV     1  
 
ASSI  {   82} 
   (( resid 14 and name HA ))   
   (( resid 4 and name HN ))   
3.400  1.500  1.500  peak   82  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.522   ppm2  8.671   CV     1  
 
ASSI  {   92} 
   (( resid 5 and name HN ))   
   (( resid 4 and name HA1 ))   
3.000  1.100  1.100  peak   92  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.331   ppm2  3.815   CV     1  
 
ASSI  {  110} 
   (( resid 106 and name HB3 ))   
   (( resid 5 and name HN ))   
2.700  2.700  3.300  peak   110  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.740   ppm2  8.331   CV     1  
 
ASSI  {  111} 
   (( resid 106 and name HB2 ))   
   (( resid 5 and name HN ))   
2.700  2.700  3.300  peak   111  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.953   ppm2  8.331   CV     1  
 
ASSI  {  121} 
   (( resid 6 and name HB3 ))   
   (( resid 5 and name HA ))   
4.800  2.900  1.200  peak   121  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.918   ppm2  5.285   CV     1  
 
ASSI  {  127} 
   (( resid 106 and name HB3 ))   
   (( resid 5 and name HA ))   
4.100  2.100  1.900  peak   127  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.740   ppm2  5.285   CV     1  
 
ASSI  {  133} 
   (( resid 6 and name HA ))   
   (( resid 5 and name HB ))   
3.500  1.500  1.500  peak   133  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.280   ppm2  3.948   CV     1  
 
ASSI  {  136} 
   (( resid 106 and name HB2 ))   
   (( resid 5 and name HB ))   
4.000  2.000  2.000  peak   136  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.953   ppm2  3.948   CV     1  
 
ASSI  {  143} 
   (( resid 14 and name HB ))   
   (( resid 5 and name HG2% ))   
4.900  3.000  1.100  peak   143  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.087   ppm2  1.213   CV     1  
 
ASSI  {  144} 
   (( resid 14 and name HG2% ))   
   (( resid 5 and name HG2% ))   
5.100  3.200  0.900  peak   144  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.278   ppm2  1.213   CV     1  
 
ASSI  {  153} 
   (( resid 7 and name HN ))   
   (( resid 6 and name HN ))   
2.700  2.700  3.300  peak   153  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.796   ppm2  9.399   CV     1  
 
ASSI  {  154} 
   (( resid 7 and name HB2 ))   
   (( resid 6 and name HN ))   
3.600  1.600  1.600  peak   154  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.980   ppm2  9.399   CV     1  
 
ASSI  {  171} 
   (( resid 7 and name HA ))   
   (( resid 6 and name HA ))   
3.300  1.400  1.400  peak   171  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.950   ppm2  5.280   CV     1  
 
ASSI  {  172} 
   (( resid 7 and name HB2 ))   
   (( resid 6 and name HA ))   
4.000  2.000  2.000  peak   172  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.980   ppm2  5.280   CV     1  
 
ASSI  {  173} 
   (( resid 13 and name HN ))   
   (( resid 6 and name HA ))   
2.900  2.900  3.100  peak   173  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.542   ppm2  5.280   CV     1  
 
ASSI  {  189} 
   (( resid 7 and name HN ))   
   (( resid 6 and name HB3 ))   
3.300  1.300  1.300  peak   189  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.796   ppm2  2.918   CV     1  
 
ASSI  {  192} 
   (( resid 13 and name HN ))   
   (( resid 6 and name HB3 ))   
4.000  2.000  2.000  peak   192  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.542   ppm2  2.918   CV     1  
 
ASSI  {  196} 
   (( resid  and name  ))   
   (( resid 6 and name HB3 ))   
5.900  4.300  0.100  peak   196  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  2.918   CV     1  
 
ASSI  {  206} 
   (( resid 7 and name HN ))   
   (( resid 6 and name HB2 ))   
3.900  1.900  1.900  peak   206  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.796   ppm2  3.236   CV     1  
 
ASSI  {  207} 
   (( resid 7 and name HA ))   
   (( resid 6 and name HB2 ))   
3.600  1.600  1.600  peak   207  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.950   ppm2  3.236   CV     1  
 
ASSI  {  209} 
   (( resid 7 and name HB3 ))   
   (( resid 6 and name HB2 ))   
4.600  2.600  1.400  peak   209  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.039   ppm2  3.236   CV     1  
 
ASSI  {  211} 
   (( resid 13 and name HN ))   
   (( resid 6 and name HB2 ))   
3.600  1.600  1.600  peak   211  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.542   ppm2  3.236   CV     1  
 
ASSI  {  213} 
   (( resid  and name  ))   
   (( resid 6 and name HB2 ))   
4.900  3.000  1.100  peak   213  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  3.236   CV     1  
 
ASSI  {  215} 
   (( resid 103 and name HB3 ))   
   (( resid 6 and name HB2 ))   
3.900  1.900  1.900  peak   215  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.216   ppm2  3.236   CV     1  
 
ASSI  {  216} 
   (( resid 104 and name HN ))   
   (( resid 6 and name HB2 ))   
3.600  3.600  2.400  peak   216  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.765   ppm2  3.236   CV     1  
 
ASSI  {  217} 
   (( resid 104 and name HA ))   
   (( resid 6 and name HB2 ))   
4.200  2.200  1.800  peak   217  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.383   ppm2  3.236   CV     1  
 
ASSI  {  219} 
   (( resid 105 and name HA ))   
   (( resid 6 and name HB2 ))   
4.700  2.800  1.300  peak   219  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.012   ppm2  3.236   CV     1  
 
ASSI  {  221} 
   (( resid 106 and name HN ))   
   (( resid 6 and name HB2 ))   
4.300  2.400  1.700  peak   221  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.431   ppm2  3.236   CV     1  
 
ASSI  {  231} 
   (( resid 8 and name HN ))   
   (( resid 7 and name HN ))   
2.900  2.900  3.100  peak   231  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.699   ppm2  9.796   CV     1  
 
ASSI  {  235} 
   (( resid 104 and name HA ))   
   (( resid 7 and name HN ))   
2.900  2.900  3.100  peak   235  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.383   ppm2  9.796   CV     1  
 
ASSI  {  238} 
   (( resid 105 and name HB2 ))   
   (( resid 7 and name HN ))   
4.700  2.700  1.300  peak   238  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.506   ppm2  9.796   CV     1  
 
ASSI  {  241} 
   (( resid 106 and name HA ))   
   (( resid 7 and name HN ))   
2.900  1.100  1.100  peak   241  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.178   ppm2  9.796   CV     1  
 
ASSI  {  242} 
   (( resid 106 and name HB3 ))   
   (( resid 7 and name HN ))   
4.300  2.300  1.700  peak   242  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.740   ppm2  9.796   CV     1  
 
ASSI  {  250} 
   (( resid 8 and name HA ))   
   (( resid 7 and name HA ))   
3.600  1.600  1.600  peak   250  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.436   ppm2  5.950   CV     1  
 
ASSI  {  268} 
   (( resid 8 and name HN ))   
   (( resid 7 and name HB2 ))   
3.700  1.700  1.700  peak   268  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.699   ppm2  1.980   CV     1  
 
ASSI  {  270} 
   (( resid  and name  ))   
   (( resid 7 and name HB2 ))   
4.300  2.300  1.700  peak   270  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  1.980   CV     1  
 
ASSI  {  271} 
   (( resid 12 and name HN ))   
   (( resid 7 and name HB2 ))   
3.800  1.800  1.800  peak   271  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.721   ppm2  1.980   CV     1  
 
ASSI  {  273} 
   (( resid 13 and name HN ))   
   (( resid 7 and name HB2 ))   
3.200  1.300  1.300  peak   273  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.542   ppm2  1.980   CV     1  
 
ASSI  {  275} 
   (( resid 104 and name HN ))   
   (( resid 7 and name HB2 ))   
3.700  1.700  1.700  peak   275  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.765   ppm2  1.980   CV     1  
 
ASSI  {  281} 
   (( resid 8 and name HN ))   
   (( resid 7 and name HB3 ))   
3.900  1.900  1.900  peak   281  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.699   ppm2  2.039   CV     1  
 
ASSI  {  282} 
   (( resid 8 and name HA ))   
   (( resid 7 and name HB3 ))   
3.900  1.900  1.900  peak   282  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.436   ppm2  2.039   CV     1  
 
ASSI  {  285} 
   (( resid  and name  ))   
   (( resid 7 and name HB3 ))   
4.300  2.300  1.700  peak   285  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  2.039   CV     1  
 
ASSI  {  286} 
   (( resid 12 and name HN ))   
   (( resid 7 and name HB3 ))   
3.800  1.800  1.800  peak   286  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.721   ppm2  2.039   CV     1  
 
ASSI  {  287} 
   (( resid 12 and name HA ))   
   (( resid 7 and name HB3 ))   
3.400  1.400  1.400  peak   287  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.378   ppm2  2.039   CV     1  
 
ASSI  {  288} 
   (( resid 13 and name HN ))   
   (( resid 7 and name HB3 ))   
3.200  1.300  1.300  peak   288  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.542   ppm2  2.039   CV     1  
 
ASSI  {  290} 
   (( resid 104 and name HN ))   
   (( resid 7 and name HB3 ))   
3.700  1.700  1.700  peak   290  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.765   ppm2  2.039   CV     1  
 
ASSI  {  326} 
   (( resid 12 and name HN ))   
   (( resid 11 and name HN ))   
3.100  3.100  2.900  peak   326  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.721   ppm2  8.491   CV     1  
 
ASSI  {  336} 
   (( resid 27 and name HB2 ))   
   (( resid 11 and name HA ))   
3.300  1.300  1.300  peak   336  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.868   ppm2  5.160   CV     1  
 
ASSI  {  337} 
   (( resid 27 and name HB3 ))   
   (( resid 11 and name HA ))   
4.100  2.100  1.900  peak   337  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.998   ppm2  5.160   CV     1  
 
ASSI  {  369} 
   (( resid 13 and name HG ))   
   (( resid 12 and name HN ))   
3.700  1.700  1.700  peak   369  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.219   ppm2  8.721   CV     1  
 
ASSI  {  371} 
   (( resid 27 and name HB2 ))   
   (( resid 12 and name HN ))   
2.700  0.900  0.900  peak   371  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.868   ppm2  8.721   CV     1  
 
ASSI  {  385} 
   (( resid 13 and name HA ))   
   (( resid 12 and name HA ))   
3.500  1.500  1.500  peak   385  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.464   ppm2  4.378   CV     1  
 
ASSI  {  387} 
   (( resid 13 and name HG ))   
   (( resid 12 and name HA ))   
3.200  3.200  2.800  peak   387  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.219   ppm2  4.378   CV     1  
 
ASSI  {  403} 
   (( resid 14 and name HN ))   
   (( resid 13 and name HN ))   
2.900  2.900  3.100  peak   403  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.065   ppm2  9.542   CV     1  
 
ASSI  {  404} 
   (( resid 14 and name HA ))   
   (( resid 13 and name HN ))   
2.200  2.200  3.800  peak   404  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.522   ppm2  9.542   CV     1  
 
ASSI  {  416} 
   (( resid 14 and name HA ))   
   (( resid 13 and name HA ))   
3.500  1.500  1.500  peak   416  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.522   ppm2  5.464   CV     1  
 
ASSI  {  420} 
   (( resid 25 and name HN ))   
   (( resid 13 and name HA ))   
3.300  1.300  1.300  peak   420  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.163   ppm2  5.464   CV     1  
 
ASSI  {  422} 
   (( resid 25 and name HB3 ))   
   (( resid 13 and name HA ))   
4.000  2.000  2.000  peak   422  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.074   ppm2  5.464   CV     1  
 
ASSI  {  423} 
   (( resid 25 and name HB2 ))   
   (( resid 13 and name HA ))   
5.900  4.300  0.100  peak   423  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.135   ppm2  5.464   CV     1  
 
ASSI  {  457} 
   (( resid 24 and name HG1% ))   
   (( resid 13 and name HG ))   
5.300  3.500  0.700  peak   457  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.019   ppm2  1.219   CV     1  
 
ASSI  {  459} 
   (( resid 25 and name HB2 ))   
   (( resid 13 and name HG ))   
6.000  5.000  0.000  peak   459  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.135   ppm2  1.219   CV     1  
 
ASSI  {  460} 
   (( resid 26 and name HN ))   
   (( resid 13 and name HG ))   
3.900  1.900  1.900  peak   460  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.322   ppm2  1.219   CV     1  
 
ASSI  {  462} 
   (( resid  and name  ))   
   (( resid 13 and name HG ))   
4.500  2.600  1.500  peak   462  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  1.219   CV     1  
 
ASSI  {  507} 
   (( resid 15 and name HD1% ))   
   (( resid 14 and name HN ))   
4.400  2.400  1.600  peak   507  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.898   ppm2  9.065   CV     1  
 
ASSI  {  512} 
   (( resid 25 and name HB2 ))   
   (( resid 14 and name HN ))   
4.700  2.700  1.300  peak   512  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.135   ppm2  9.065   CV     1  
 
ASSI  {  513} 
   (( resid 26 and name HN ))   
   (( resid 14 and name HN ))   
2.000  2.000  4.000  peak   513  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.322   ppm2  9.065   CV     1  
 
ASSI  {  532} 
   (( resid 25 and name HB3 ))   
   (( resid 14 and name HA ))   
3.900  1.900  1.900  peak   532  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.074   ppm2  5.522   CV     1  
 
ASSI  {  533} 
   (( resid 25 and name HB2 ))   
   (( resid 14 and name HA ))   
4.700  2.800  1.300  peak   533  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.135   ppm2  5.522   CV     1  
 
ASSI  {  542} 
   (( resid 15 and name HN ))   
   (( resid 14 and name HB ))   
3.800  1.800  1.800  peak   542  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.467   ppm2  4.087   CV     1  
 
ASSI  {  543} 
   (( resid 15 and name HA ))   
   (( resid 14 and name HB ))   
3.400  3.400  2.600  peak   543  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.014   ppm2  4.087   CV     1  
 
ASSI  {  544} 
   (( resid 25 and name HN ))   
   (( resid 14 and name HB ))   
3.600  1.600  1.600  peak   544  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.163   ppm2  4.087   CV     1  
 
ASSI  {  546} 
   (( resid 25 and name HB3 ))   
   (( resid 14 and name HB ))   
3.600  1.600  1.600  peak   546  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.074   ppm2  4.087   CV     1  
 
ASSI  {  547} 
   (( resid 25 and name HB2 ))   
   (( resid 14 and name HB ))   
4.400  2.500  1.600  peak   547  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.135   ppm2  4.087   CV     1  
 
ASSI  {  556} 
   (( resid 15 and name HN ))   
   (( resid 14 and name HG2% ))   
4.000  2.000  2.000  peak   556  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.467   ppm2  1.278   CV     1  
 
ASSI  {  560} 
   (( resid 16 and name HA ))   
   (( resid 14 and name HG2% ))   
3.200  3.200  2.800  peak   560  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.730   ppm2  1.278   CV     1  
 
ASSI  {  562} 
   (( resid 25 and name HB3 ))   
   (( resid 14 and name HG2% ))   
5.600  3.900  0.400  peak   562  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.074   ppm2  1.278   CV     1  
 
ASSI  {  563} 
   (( resid 25 and name HB2 ))   
   (( resid 14 and name HG2% ))   
5.700  4.000  0.300  peak   563  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.135   ppm2  1.278   CV     1  
 
ASSI  {  574} 
   (( resid 16 and name HN ))   
   (( resid 15 and name HN ))   
3.100  3.100  2.900  peak   574  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.758   ppm2  9.467   CV     1  
 
ASSI  {  575} 
   (( resid 23 and name HG2% ))   
   (( resid 15 and name HN ))   
4.300  2.300  1.700  peak   575  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.121   ppm2  9.467   CV     1  
 
ASSI  {  579} 
   (( resid 25 and name HB3 ))   
   (( resid 15 and name HN ))   
3.900  1.900  1.900  peak   579  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.074   ppm2  9.467   CV     1  
 
ASSI  {  590} 
   (( resid 16 and name HA ))   
   (( resid 15 and name HA ))   
3.600  1.700  1.700  peak   590  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.730   ppm2  5.014   CV     1  
 
ASSI  {  592} 
   (( resid 17 and name HN ))   
   (( resid 15 and name HA ))   
3.800  3.800  2.200  peak   592  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.073   ppm2  5.014   CV     1  
 
ASSI  {  599} 
   (( resid 25 and name HB3 ))   
   (( resid 15 and name HA ))   
3.600  1.600  1.600  peak   599  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.074   ppm2  5.014   CV     1  
 
ASSI  {  600} 
   (( resid 25 and name HB2 ))   
   (( resid 15 and name HA ))   
3.500  1.500  1.500  peak   600  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.135   ppm2  5.014   CV     1  
 
ASSI  {  616} 
   (( resid 16 and name HA ))   
   (( resid 15 and name HB ))   
3.900  1.900  1.900  peak   616  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.730   ppm2  1.923   CV     1  
 
ASSI  {  617} 
   (( resid 17 and name HN ))   
   (( resid 15 and name HB ))   
3.900  1.900  1.900  peak   617  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.073   ppm2  1.923   CV     1  
 
ASSI  {  620} 
   (( resid 25 and name HN ))   
   (( resid 15 and name HB ))   
2.600  2.600  3.400  peak   620  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.163   ppm2  1.923   CV     1  
 
ASSI  {  627} 
   (( resid 16 and name HN ))   
   (( resid 15 and name HG2% ))   
3.200  1.300  1.300  peak   627  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.758   ppm2  1.330   CV     1  
 
ASSI  {  630} 
   (( resid 22 and name HB3 ))   
   (( resid 15 and name HG2% ))   
4.400  2.400  1.600  peak   630  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.600   ppm2  1.330   CV     1  
 
ASSI  {  631} 
   (( resid 22 and name HB2 ))   
   (( resid 15 and name HG2% ))   
6.000  5.400  0.000  peak   631  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.123   ppm2  1.330   CV     1  
 
ASSI  {  632} 
   (( resid 23 and name HN ))   
   (( resid 15 and name HG2% ))   
3.300  1.400  1.400  peak   632  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.311   ppm2  1.330   CV     1  
 
ASSI  {  634} 
   (( resid 24 and name HG2% ))   
   (( resid 15 and name HG2% ))   
5.200  3.400  0.800  peak   634  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.901   ppm2  1.330   CV     1  
 
ASSI  {  635} 
   (( resid 37 and name HZ ))   
   (( resid 15 and name HG2% ))   
3.100  3.100  2.900  peak   635  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.365   ppm2  1.330   CV     1  
 
ASSI  {  642} 
   (( resid 24 and name HA ))   
   (( resid 15 and name HD1% ))   
4.800  2.900  1.200  peak   642  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.034   ppm2  0.898   CV     1  
 
ASSI  {  643} 
   (( resid 24 and name HG1% ))   
   (( resid 15 and name HD1% ))   
5.600  3.900  0.400  peak   643  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.019   ppm2  0.898   CV     1  
 
ASSI  {  644} 
   (( resid 24 and name HG2% ))   
   (( resid 15 and name HD1% ))   
5.400  3.700  0.600  peak   644  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.901   ppm2  0.898   CV     1  
 
ASSI  {  645} 
   (( resid 25 and name HN ))   
   (( resid 15 and name HD1% ))   
4.700  2.700  1.300  peak   645  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.163   ppm2  0.898   CV     1  
 
ASSI  {  657} 
   (( resid 17 and name HN ))   
   (( resid 16 and name HN ))   
3.100  1.200  1.200  peak   657  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.073   ppm2  8.758   CV     1  
 
ASSI  {  661} 
   (( resid 23 and name HN ))   
   (( resid 16 and name HN ))   
2.700  0.900  0.900  peak   661  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.311   ppm2  8.758   CV     1  
 
ASSI  {  663} 
   (( resid 23 and name HG2% ))   
   (( resid 16 and name HN ))   
3.600  1.600  1.600  peak   663  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.121   ppm2  8.758   CV     1  
 
ASSI  {  678} 
   (( resid 17 and name HA ))   
   (( resid 16 and name HA ))   
3.900  1.900  1.900  peak   678  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.230   ppm2  4.730   CV     1  
 
ASSI  {  687} 
   (( resid 17 and name HA ))   
   (( resid 16 and name HB ))   
3.400  1.400  1.400  peak   687  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.230   ppm2  3.997   CV     1  
 
ASSI  {  709} 
   (( resid 18 and name HN ))   
   (( resid 17 and name HN ))   
3.000  3.000  3.000  peak   709  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.871   ppm2  9.073   CV     1  
 
ASSI  {  712} 
   (( resid 23 and name HN ))   
   (( resid 17 and name HN ))   
2.100  2.100  3.900  peak   712  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.311   ppm2  9.073   CV     1  
 
ASSI  {  720} 
   (( resid 18 and name HA ))   
   (( resid 17 and name HA ))   
4.000  2.000  2.000  peak   720  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.226   ppm2  4.230   CV     1  
 
ASSI  {  721} 
   (( resid 19 and name HN ))   
   (( resid 17 and name HA ))   
3.800  1.800  1.800  peak   721  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.017   ppm2  4.230   CV     1  
 
ASSI  {  723} 
   (( resid  and name  ))   
   (( resid 17 and name HA ))   
4.500  2.500  1.500  peak   723  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  4.230   CV     1  
 
ASSI  {  725} 
   (( resid 22 and name HA ))   
   (( resid 17 and name HA ))   
3.300  1.400  1.400  peak   725  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.794   ppm2  4.230   CV     1  
 
ASSI  {  728} 
   (( resid 23 and name HB ))   
   (( resid 17 and name HA ))   
2.700  2.700  3.300  peak   728  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.995   ppm2  4.230   CV     1  
 
ASSI  {  753} 
   (( resid 19 and name HA1 ))   
   (( resid 18 and name HN ))   
3.600  1.600  1.600  peak   753  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.113   ppm2  8.871   CV     1  
 
ASSI  {  757} 
   (( resid  and name  ))   
   (( resid 18 and name HN ))   
3.800  1.800  1.800  peak   757  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  8.871   CV     1  
 
ASSI  {  765} 
   (( resid 19 and name HA2 ))   
   (( resid 18 and name HA ))   
4.300  2.300  1.700  peak   765  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.773   ppm2  4.226   CV     1  
 
ASSI  {  766} 
   (( resid 19 and name HA1 ))   
   (( resid 18 and name HA ))   
4.400  2.400  1.600  peak   766  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.113   ppm2  4.226   CV     1  
 
ASSI  {  768} 
   (( resid 21 and name HN ))   
   (( resid 18 and name HA ))   
2.400  2.400  3.600  peak   768  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.941   ppm2  4.226   CV     1  
 
ASSI  {  772} 
   (( resid 19 and name HN ))   
   (( resid 18 and name HB3 ))   
4.700  2.700  1.300  peak   772  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.017   ppm2  1.044   CV     1  
 
ASSI  {  782} 
   (( resid 20 and name HN ))   
   (( resid 19 and name HN ))   
3.100  1.200  1.200  peak   782  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.857   ppm2  9.017   CV     1  
 
ASSI  {  784} 
   (( resid 21 and name HN ))   
   (( resid 19 and name HN ))   
2.200  2.200  3.800  peak   784  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.941   ppm2  9.017   CV     1  
 
ASSI  {  789} 
   (( resid 20 and name HN ))   
   (( resid 19 and name HA2 ))   
3.100  1.200  1.200  peak   789  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.857   ppm2  3.773   CV     1  
 
ASSI  {  790} 
   (( resid 20 and name HA ))   
   (( resid 19 and name HA2 ))   
3.800  1.800  1.800  peak   790  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.037   ppm2  3.773   CV     1  
 
ASSI  {  791} 
   (( resid 20 and name HB3 ))   
   (( resid 19 and name HA2 ))   
4.000  2.000  2.000  peak   791  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.197   ppm2  3.773   CV     1  
 
ASSI  {  792} 
   (( resid 21 and name HN ))   
   (( resid 19 and name HA2 ))   
2.400  2.400  3.600  peak   792  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.941   ppm2  3.773   CV     1  
 
ASSI  {  799} 
   (( resid 20 and name HN ))   
   (( resid 19 and name HA1 ))   
3.900  1.900  1.900  peak   799  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.857   ppm2  4.113   CV     1  
 
ASSI  {  800} 
   (( resid 21 and name HN ))   
   (( resid 19 and name HA1 ))   
2.400  2.400  3.600  peak   800  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.941   ppm2  4.113   CV     1  
 
ASSI  {  812} 
   (( resid 21 and name HN ))   
   (( resid 20 and name HN ))   
2.900  1.100  1.100  peak   812  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.941   ppm2  8.857   CV     1  
 
ASSI  {  821} 
   (( resid 21 and name HA ))   
   (( resid 20 and name HA ))   
3.700  1.700  1.700  peak   821  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.930   ppm2  5.037   CV     1  
 
ASSI  {  822} 
   (( resid 22 and name HN ))   
   (( resid 20 and name HA ))   
3.800  1.800  1.800  peak   822  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.098   ppm2  5.037   CV     1  
 
ASSI  {  823} 
   (( resid 39 and name HD1% ))   
   (( resid 20 and name HA ))   
3.400  1.500  1.500  peak   823  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.749   ppm2  5.037   CV     1  
 
ASSI  {  829} 
   (( resid 21 and name HN ))   
   (( resid 20 and name HB3 ))   
4.100  2.100  1.900  peak   829  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.941   ppm2  3.197   CV     1  
 
ASSI  {  830} 
   (( resid 21 and name HA ))   
   (( resid 20 and name HB3 ))   
3.800  1.800  1.800  peak   830  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.930   ppm2  3.197   CV     1  
 
ASSI  {  832} 
   (( resid 38 and name HA ))   
   (( resid 20 and name HB3 ))   
3.700  1.700  1.700  peak   832  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.359   ppm2  3.197   CV     1  
 
ASSI  {  838} 
   (( resid 21 and name HN ))   
   (( resid 20 and name HB2 ))   
4.000  2.000  2.000  peak   838  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.941   ppm2  2.995   CV     1  
 
ASSI  {  839} 
   (( resid 21 and name HA ))   
   (( resid 20 and name HB2 ))   
3.600  1.600  1.600  peak   839  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.930   ppm2  2.995   CV     1  
 
ASSI  {  841} 
   (( resid 38 and name HA ))   
   (( resid 20 and name HB2 ))   
3.500  3.500  2.500  peak   841  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.359   ppm2  2.995   CV     1  
 
ASSI  {  844} 
   (( resid 39 and name HD1% ))   
   (( resid 20 and name HB2 ))   
3.700  1.700  1.700  peak   844  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.749   ppm2  2.995   CV     1  
 
ASSI  {  859} 
   (( resid 22 and name HN ))   
   (( resid 21 and name HN ))   
2.900  1.100  1.100  peak   859  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.098   ppm2  7.941   CV     1  
 
ASSI  {  872} 
   (( resid 22 and name HB3 ))   
   (( resid 21 and name HA ))   
5.700  4.000  0.300  peak   872  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.600   ppm2  4.930   CV     1  
 
ASSI  {  875} 
   (( resid 38 and name HN ))   
   (( resid 21 and name HA ))   
3.300  3.300  2.700  peak   875  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.417   ppm2  4.930   CV     1  
 
ASSI  {  877} 
   (( resid 38 and name HB2 ))   
   (( resid 21 and name HA ))   
3.900  1.900  1.900  peak   877  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.024   ppm2  4.930   CV     1  
 
ASSI  {  900} 
   (( resid 23 and name HN ))   
   (( resid 22 and name HN ))   
3.000  3.000  3.000  peak   900  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.311   ppm2  9.098   CV     1  
 
ASSI  {  901} 
   (( resid 23 and name HA ))   
   (( resid 22 and name HN ))   
3.000  3.000  3.000  peak   901  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.806   ppm2  9.098   CV     1  
 
ASSI  {  904} 
   (( resid 37 and name HZ ))   
   (( resid 22 and name HN ))   
2.200  2.200  3.800  peak   904  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.365   ppm2  9.098   CV     1  
 
ASSI  {  907} 
   (( resid 39 and name HA ))   
   (( resid 22 and name HN ))   
2.300  2.300  3.700  peak   907  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.593   ppm2  9.098   CV     1  
 
ASSI  {  908} 
   (( resid 39 and name HD1% ))   
   (( resid 22 and name HN ))   
3.200  3.200  2.800  peak   908  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.749   ppm2  9.098   CV     1  
 
ASSI  {  923} 
   (( resid 23 and name HA ))   
   (( resid 22 and name HA ))   
3.700  1.700  1.700  peak   923  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.806   ppm2  4.794   CV     1  
 
ASSI  {  924} 
   (( resid 23 and name HB ))   
   (( resid 22 and name HA ))   
4.200  2.200  1.800  peak   924  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.995   ppm2  4.794   CV     1  
 
ASSI  {  932} 
   (( resid 23 and name HN ))   
   (( resid 22 and name HB3 ))   
3.800  1.800  1.800  peak   932  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.311   ppm2  1.600   CV     1  
 
ASSI  {  933} 
   (( resid 23 and name HA ))   
   (( resid 22 and name HB3 ))   
4.000  2.000  2.000  peak   933  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.806   ppm2  1.600   CV     1  
 
ASSI  {  935} 
   (( resid 37 and name HN ))   
   (( resid 22 and name HB3 ))   
4.000  2.000  2.000  peak   935  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.317   ppm2  1.600   CV     1  
 
ASSI  {  936} 
   (( resid 37 and name HE% ))   
   (( resid 22 and name HB3 ))   
3.700  1.700  1.700  peak   936  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.254   ppm2  1.600   CV     1  
 
ASSI  {  937} 
   (( resid 37 and name HZ ))   
   (( resid 22 and name HB3 ))   
3.900  1.900  1.900  peak   937  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.365   ppm2  1.600   CV     1  
 
ASSI  {  938} 
   (( resid 39 and name HN ))   
   (( resid 22 and name HB3 ))   
2.700  2.700  3.300  peak   938  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.826   ppm2  1.600   CV     1  
 
ASSI  {  939} 
   (( resid 39 and name HD1% ))   
   (( resid 22 and name HB3 ))   
4.400  2.400  1.600  peak   939  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.749   ppm2  1.600   CV     1  
 
ASSI  {  953} 
   (( resid 23 and name HN ))   
   (( resid 22 and name HB2 ))   
4.900  3.000  1.100  peak   953  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.311   ppm2  1.123   CV     1  
 
ASSI  {  954} 
   (( resid 23 and name HA ))   
   (( resid 22 and name HB2 ))   
4.400  2.400  1.600  peak   954  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.806   ppm2  1.123   CV     1  
 
ASSI  {  955} 
   (( resid 24 and name HN ))   
   (( resid 22 and name HB2 ))   
4.700  2.800  1.300  peak   955  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.432   ppm2  1.123   CV     1  
 
ASSI  {  958} 
   (( resid 24 and name HG2% ))   
   (( resid 22 and name HB2 ))   
6.000  6.000  0.000  peak   958  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.901   ppm2  1.123   CV     1  
 
ASSI  {  959} 
   (( resid 37 and name HE% ))   
   (( resid 22 and name HB2 ))   
3.200  1.300  1.300  peak   959  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.254   ppm2  1.123   CV     1  
 
ASSI  {  960} 
   (( resid 37 and name HZ ))   
   (( resid 22 and name HB2 ))   
4.600  2.600  1.400  peak   960  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.365   ppm2  1.123   CV     1  
 
ASSI  {  961} 
   (( resid 39 and name HD1% ))   
   (( resid 22 and name HB2 ))   
6.000  4.700  0.000  peak   961  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.749   ppm2  1.123   CV     1  
 
ASSI  {  976} 
   (( resid 24 and name HN ))   
   (( resid 23 and name HN ))   
3.000  3.000  3.000  peak   976  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.432   ppm2  8.311   CV     1  
 
ASSI  {  977} 
   (( resid 24 and name HA ))   
   (( resid 23 and name HN ))   
3.000  3.000  3.000  peak   977  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.034   ppm2  8.311   CV     1  
 
ASSI  {  978} 
   (( resid 24 and name HG2% ))   
   (( resid 23 and name HN ))   
3.900  1.900  1.900  peak   978  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.901   ppm2  8.311   CV     1  
 
ASSI  {  981} 
   (( resid 37 and name HZ ))   
   (( resid 23 and name HN ))   
2.300  2.300  3.700  peak   981  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.365   ppm2  8.311   CV     1  
 
ASSI  {  994} 
   (( resid 34 and name HB2 ))   
   (( resid 23 and name HA ))   
4.400  2.400  1.600  peak   994  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.627   ppm2  4.806   CV     1  
 
ASSI  { 1001} 
   (( resid 37 and name HD% ))   
   (( resid 23 and name HA ))   
3.100  1.200  1.200  peak   1001  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.488   ppm2  4.806   CV     1  
 
ASSI  { 1002} 
   (( resid 37 and name HE% ))   
   (( resid 23 and name HA ))   
3.100  1.200  1.200  peak   1002  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.254   ppm2  4.806   CV     1  
 
ASSI  { 1003} 
   (( resid 37 and name HZ ))   
   (( resid 23 and name HA ))   
3.300  1.400  1.400  peak   1003  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.365   ppm2  4.806   CV     1  
 
ASSI  { 1012} 
   (( resid 34 and name HB2 ))   
   (( resid 23 and name HB ))   
4.400  2.400  1.600  peak   1012  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.627   ppm2  3.995   CV     1  
 
ASSI  { 1015} 
   (( resid 36 and name HG1% ))   
   (( resid 23 and name HB ))   
5.900  4.300  0.100  peak   1015  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.007   ppm2  3.995   CV     1  
 
ASSI  { 1016} 
   (( resid 37 and name HN ))   
   (( resid 23 and name HB ))   
3.500  1.500  1.500  peak   1016  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.317   ppm2  3.995   CV     1  
 
ASSI  { 1024} 
   (( resid 24 and name HN ))   
   (( resid 23 and name HG2% ))   
3.900  1.900  1.900  peak   1024  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.432   ppm2  1.121   CV     1  
 
ASSI  { 1025} 
   (( resid 24 and name HA ))   
   (( resid 23 and name HG2% ))   
4.000  2.000  2.000  peak   1025  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.034   ppm2  1.121   CV     1  
 
ASSI  { 1026} 
   (( resid 25 and name HN ))   
   (( resid 23 and name HG2% ))   
3.800  1.800  1.800  peak   1026  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.163   ppm2  1.121   CV     1  
 
ASSI  { 1027} 
   (( resid 25 and name HA ))   
   (( resid 23 and name HG2% ))   
4.300  2.300  1.700  peak   1027  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.342   ppm2  1.121   CV     1  
 
ASSI  { 1028} 
   (( resid 25 and name HB3 ))   
   (( resid 23 and name HG2% ))   
5.100  3.300  0.900  peak   1028  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.074   ppm2  1.121   CV     1  
 
ASSI  { 1030} 
   (( resid 34 and name HB2 ))   
   (( resid 23 and name HG2% ))   
5.400  3.600  0.600  peak   1030  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.627   ppm2  1.121   CV     1  
 
ASSI  { 1031} 
   (( resid 34 and name HB3 ))   
   (( resid 23 and name HG2% ))   
4.700  2.700  1.300  peak   1031  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.560   ppm2  1.121   CV     1  
 
ASSI  { 1033} 
   (( resid 36 and name HG1% ))   
   (( resid 23 and name HG2% ))   
4.200  2.200  1.800  peak   1033  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.007   ppm2  1.121   CV     1  
 
ASSI  { 1044} 
   (( resid 25 and name HN ))   
   (( resid 24 and name HN ))   
2.900  2.900  3.100  peak   1044  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.163   ppm2  9.432   CV     1  
 
ASSI  { 1045} 
   (( resid 26 and name HN ))   
   (( resid 24 and name HN ))   
3.100  3.100  2.900  peak   1045  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.322   ppm2  9.432   CV     1  
 
ASSI  { 1047} 
   (( resid 34 and name HB2 ))   
   (( resid 24 and name HN ))   
4.100  2.100  1.900  peak   1047  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.627   ppm2  9.432   CV     1  
 
ASSI  { 1055} 
   (( resid 37 and name HD% ))   
   (( resid 24 and name HN ))   
2.900  2.900  3.100  peak   1055  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.488   ppm2  9.432   CV     1  
 
ASSI  { 1056} 
   (( resid 37 and name HE% ))   
   (( resid 24 and name HN ))   
2.600  0.900  0.900  peak   1056  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.254   ppm2  9.432   CV     1  
 
ASSI  { 1057} 
   (( resid 37 and name HZ ))   
   (( resid 24 and name HN ))   
3.300  1.300  1.300  peak   1057  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.365   ppm2  9.432   CV     1  
 
ASSI  { 1076} 
   (( resid 25 and name HA ))   
   (( resid 24 and name HA ))   
3.500  1.600  1.600  peak   1076  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.342   ppm2  5.034   CV     1  
 
ASSI  { 1077} 
   (( resid 25 and name HB3 ))   
   (( resid 24 and name HA ))   
4.600  2.600  1.400  peak   1077  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.074   ppm2  5.034   CV     1  
 
ASSI  { 1078} 
   (( resid 25 and name HB2 ))   
   (( resid 24 and name HA ))   
4.500  2.500  1.500  peak   1078  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.135   ppm2  5.034   CV     1  
 
ASSI  { 1079} 
   (( resid 26 and name HN ))   
   (( resid 24 and name HA ))   
3.500  3.500  2.500  peak   1079  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.322   ppm2  5.034   CV     1  
 
ASSI  { 1080} 
   (( resid 37 and name HE% ))   
   (( resid 24 and name HA ))   
2.400  2.400  3.600  peak   1080  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.254   ppm2  5.034   CV     1  
 
ASSI  { 1081} 
   (( resid 37 and name HZ ))   
   (( resid 24 and name HA ))   
2.500  2.500  3.500  peak   1081  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.365   ppm2  5.034   CV     1  
 
ASSI  { 1091} 
   (( resid  and name  ))   
   (( resid 24 and name HB ))   
4.300  2.300  1.700  peak   1091  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  2.373   CV     1  
 
ASSI  { 1094} 
   (( resid 36 and name HA ))   
   (( resid 24 and name HB ))   
4.700  2.700  1.300  peak   1094  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.131   ppm2  2.373   CV     1  
 
ASSI  { 1095} 
   (( resid 37 and name HD% ))   
   (( resid 24 and name HB ))   
4.100  2.100  1.900  peak   1095  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.488   ppm2  2.373   CV     1  
 
ASSI  { 1097} 
   (( resid 37 and name HZ ))   
   (( resid 24 and name HB ))   
4.500  2.600  1.500  peak   1097  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.365   ppm2  2.373   CV     1  
 
ASSI  { 1107} 
   (( resid 25 and name HN ))   
   (( resid 24 and name HG1% ))   
3.700  1.700  1.700  peak   1107  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.163   ppm2  1.019   CV     1  
 
ASSI  { 1108} 
   (( resid 25 and name HA ))   
   (( resid 24 and name HG1% ))   
4.200  2.200  1.800  peak   1108  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.342   ppm2  1.019   CV     1  
 
ASSI  { 1109} 
   (( resid 26 and name HN ))   
   (( resid 24 and name HG1% ))   
4.000  2.000  2.000  peak   1109  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.322   ppm2  1.019   CV     1  
 
ASSI  { 1110} 
   (( resid 26 and name HA ))   
   (( resid 24 and name HG1% ))   
4.300  2.300  1.700  peak   1110  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.478   ppm2  1.019   CV     1  
 
ASSI  { 1111} 
   (( resid  and name  ))   
   (( resid 24 and name HG1% ))   
4.900  3.000  1.100  peak   1111  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  1.019   CV     1  
 
ASSI  { 1126} 
   (( resid 37 and name HZ ))   
   (( resid 24 and name HG2% ))   
4.000  2.000  2.000  peak   1126  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.365   ppm2  0.901   CV     1  
 
ASSI  { 1147} 
   (( resid 26 and name HN ))   
   (( resid 25 and name HN ))   
3.100  1.200  1.200  peak   1147  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.322   ppm2  9.163   CV     1  
 
ASSI  { 1148} 
   (( resid 26 and name HA ))   
   (( resid 25 and name HN ))   
3.000  3.000  3.000  peak   1148  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.478   ppm2  9.163   CV     1  
 
ASSI  { 1149} 
   (( resid  and name  ))   
   (( resid 25 and name HN ))   
3.600  3.600  2.400  peak   1149  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  9.163   CV     1  
 
ASSI  { 1162} 
   (( resid 26 and name HN ))   
   (( resid 25 and name HA ))   
2.500  0.800  0.800  peak   1162  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.322   ppm2  5.342   CV     1  
 
ASSI  { 1165} 
   (( resid 34 and name HB2 ))   
   (( resid 25 and name HA ))   
4.700  2.700  1.300  peak   1165  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.627   ppm2  5.342   CV     1  
 
ASSI  { 1166} 
   (( resid 34 and name HB3 ))   
   (( resid 25 and name HA ))   
3.700  1.700  1.700  peak   1166  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.560   ppm2  5.342   CV     1  
 
ASSI  { 1167} 
   (( resid 35 and name HN ))   
   (( resid 25 and name HA ))   
3.200  1.300  1.300  peak   1167  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.146   ppm2  5.342   CV     1  
 
ASSI  { 1181} 
   (( resid 26 and name HN ))   
   (( resid 25 and name HB3 ))   
4.000  2.000  2.000  peak   1181  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.322   ppm2  2.074   CV     1  
 
ASSI  { 1199} 
   (( resid 26 and name HN ))   
   (( resid 25 and name HB2 ))   
4.400  2.400  1.600  peak   1199  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.322   ppm2  2.135   CV     1  
 
ASSI  { 1200} 
   (( resid 26 and name HA ))   
   (( resid 25 and name HB2 ))   
4.500  2.500  1.500  peak   1200  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.478   ppm2  2.135   CV     1  
 
ASSI  { 1216} 
   (( resid 27 and name HN ))   
   (( resid 26 and name HN ))   
3.000  3.000  3.000  peak   1216  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.182   ppm2  9.322   CV     1  
 
ASSI  { 1218} 
   (( resid 35 and name HN ))   
   (( resid 26 and name HN ))   
3.100  3.100  2.900  peak   1218  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.146   ppm2  9.322   CV     1  
 
ASSI  { 1258} 
   (( resid 28 and name HN ))   
   (( resid 27 and name HN ))   
3.200  1.300  1.300  peak   1258  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.675   ppm2  9.182   CV     1  
 
ASSI  { 1266} 
   (( resid 28 and name HA ))   
   (( resid 27 and name HA ))   
3.700  1.700  1.700  peak   1266  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.078   ppm2  5.566   CV     1  
 
ASSI  { 1267} 
   (( resid 28 and name HB3 ))   
   (( resid 27 and name HA ))   
4.000  2.000  2.000  peak   1267  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.157   ppm2  5.566   CV     1  
 
ASSI  { 1271} 
   (( resid 33 and name HG2% ))   
   (( resid 27 and name HA ))   
3.700  1.700  1.700  peak   1271  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.610   ppm2  5.566   CV     1  
 
ASSI  { 1282} 
   (( resid 28 and name HA ))   
   (( resid 27 and name HB2 ))   
3.500  1.500  1.500  peak   1282  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.078   ppm2  3.868   CV     1  
 
ASSI  { 1290} 
   (( resid 28 and name HN ))   
   (( resid 27 and name HB3 ))   
2.800  1.000  1.000  peak   1290  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.675   ppm2  3.998   CV     1  
 
ASSI  { 1291} 
   (( resid 28 and name HA ))   
   (( resid 27 and name HB3 ))   
3.600  1.600  1.600  peak   1291  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.078   ppm2  3.998   CV     1  
 
ASSI  { 1292} 
   (( resid 32 and name HA ))   
   (( resid 27 and name HB3 ))   
3.500  1.600  1.600  peak   1292  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.619   ppm2  3.998   CV     1  
 
ASSI  { 1294} 
   (( resid 33 and name HN ))   
   (( resid 27 and name HB3 ))   
2.400  2.400  3.600  peak   1294  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.802   ppm2  3.998   CV     1  
 
ASSI  { 1303} 
   (( resid 29 and name HN ))   
   (( resid 28 and name HN ))   
3.100  1.200  1.200  peak   1303  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.146   ppm2  8.675   CV     1  
 
ASSI  { 1305} 
   (( resid 31 and name HN ))   
   (( resid 28 and name HN ))   
2.600  0.900  0.900  peak   1305  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.625   ppm2  8.675   CV     1  
 
ASSI  { 1307} 
   (( resid 33 and name HN ))   
   (( resid 28 and name HN ))   
2.200  2.200  3.800  peak   1307  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.802   ppm2  8.675   CV     1  
 
ASSI  { 1309} 
   (( resid 33 and name HG2% ))   
   (( resid 28 and name HN ))   
2.900  2.900  3.100  peak   1309  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.610   ppm2  8.675   CV     1  
 
ASSI  { 1319} 
   (( resid 29 and name HA ))   
   (( resid 28 and name HA ))   
4.100  2.100  1.900  peak   1319  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.376   ppm2  5.078   CV     1  
 
ASSI  { 1321} 
   (( resid 31 and name HN ))   
   (( resid 28 and name HA ))   
3.300  1.400  1.400  peak   1321  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.625   ppm2  5.078   CV     1  
 
ASSI  { 1327} 
   (( resid 29 and name HN ))   
   (( resid 28 and name HB3 ))   
3.100  1.200  1.200  peak   1327  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.146   ppm2  4.157   CV     1  
 
ASSI  { 1328} 
   (( resid 29 and name HB3 ))   
   (( resid 28 and name HB3 ))   
4.100  2.100  1.900  peak   1328  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.685   ppm2  4.157   CV     1  
 
ASSI  { 1329} 
   (( resid 33 and name HG2% ))   
   (( resid 28 and name HB3 ))   
3.100  3.100  2.900  peak   1329  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.610   ppm2  4.157   CV     1  
 
ASSI  { 1334} 
   (( resid 29 and name HN ))   
   (( resid 28 and name HB2 ))   
3.900  1.900  1.900  peak   1334  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.146   ppm2  4.112   CV     1  
 
ASSI  { 1335} 
   (( resid 29 and name HA ))   
   (( resid 28 and name HB2 ))   
4.400  2.500  1.600  peak   1335  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.376   ppm2  4.112   CV     1  
 
ASSI  { 1336} 
   (( resid 29 and name HB3 ))   
   (( resid 28 and name HB2 ))   
4.500  2.500  1.500  peak   1336  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.685   ppm2  4.112   CV     1  
 
ASSI  { 1345} 
   (( resid 31 and name HN ))   
   (( resid 29 and name HN ))   
3.000  3.000  3.000  peak   1345  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.625   ppm2  8.146   CV     1  
 
ASSI  { 1352} 
   (( resid 30 and name HA ))   
   (( resid 29 and name HA ))   
3.600  1.600  1.600  peak   1352  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.617   ppm2  4.376   CV     1  
 
ASSI  { 1353} 
   (( resid 30 and name HB3 ))   
   (( resid 29 and name HA ))   
3.900  1.900  1.900  peak   1353  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.360   ppm2  4.376   CV     1  
 
ASSI  { 1359} 
   (( resid 30 and name HN ))   
   (( resid 29 and name HB3 ))   
3.500  1.600  1.600  peak   1359  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.154   ppm2  2.685   CV     1  
 
ASSI  { 1383} 
   (( resid 31 and name HA ))   
   (( resid 30 and name HA ))   
3.400  1.400  1.400  peak   1383  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.641   ppm2  4.617   CV     1  
 
ASSI  { 1390} 
   (( resid 31 and name HN ))   
   (( resid 30 and name HB3 ))   
3.200  1.300  1.300  peak   1390  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.625   ppm2  3.360   CV     1  
 
ASSI  { 1396} 
   (( resid 31 and name HN ))   
   (( resid 30 and name HB2 ))   
3.600  1.700  1.700  peak   1396  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.625   ppm2  3.104   CV     1  
 
ASSI  { 1403} 
   (( resid 31 and name HN ))   
   (( resid 30 and name HD% ))   
3.000  1.100  1.100  peak   1403  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.625   ppm2  7.285   CV     1  
 
ASSI  { 1404} 
   (( resid 31 and name HA ))   
   (( resid 30 and name HD% ))   
3.100  3.100  2.900  peak   1404  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.641   ppm2  7.285   CV     1  
 
ASSI  { 1419} 
   (( resid 32 and name HN ))   
   (( resid 31 and name HN ))   
3.100  1.200  1.200  peak   1419  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.691   ppm2  7.625   CV     1  
 
ASSI  { 1420} 
   (( resid 32 and name HA ))   
   (( resid 31 and name HN ))   
3.100  3.100  2.900  peak   1420  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.619   ppm2  7.625   CV     1  
 
ASSI  { 1441} 
   (( resid 33 and name HN ))   
   (( resid 32 and name HN ))   
3.100  1.200  1.200  peak   1441  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.802   ppm2  8.691   CV     1  
 
ASSI  { 1442} 
   (( resid 33 and name HA ))   
   (( resid 32 and name HN ))   
3.000  3.000  3.000  peak   1442  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.636   ppm2  8.691   CV     1  
 
ASSI  { 1443} 
   (( resid 33 and name HB ))   
   (( resid 32 and name HN ))   
3.300  3.300  2.700  peak   1443  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.982   ppm2  8.691   CV     1  
 
ASSI  { 1455} 
   (( resid 33 and name HA ))   
   (( resid 32 and name HA ))   
3.800  1.800  1.800  peak   1455  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.636   ppm2  5.619   CV     1  
 
ASSI  { 1457} 
   (( resid 33 and name HG2% ))   
   (( resid 32 and name HA ))   
2.900  1.100  1.100  peak   1457  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.610   ppm2  5.619   CV     1  
 
ASSI  { 1477} 
   (( resid 34 and name HN ))   
   (( resid 33 and name HN ))   
3.100  1.200  1.200  peak   1477  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.626   ppm2  8.802   CV     1  
 
ASSI  { 1478} 
   (( resid 34 and name HA ))   
   (( resid 33 and name HN ))   
2.900  2.900  3.100  peak   1478  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.428   ppm2  8.802   CV     1  
 
ASSI  { 1486} 
   (( resid 34 and name HN ))   
   (( resid 33 and name HA ))   
3.000  1.200  1.200  peak   1486  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.626   ppm2  4.636   CV     1  
 
ASSI  { 1498} 
   (( resid 48 and name HN ))   
   (( resid 33 and name HB ))   
2.700  2.700  3.300  peak   1498  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.398   ppm2  1.982   CV     1  
 
ASSI  { 1514} 
   (( resid 47 and name HA ))   
   (( resid 33 and name HD1% ))   
4.500  2.600  1.500  peak   1514  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.316   ppm2  0.948   CV     1  
 
ASSI  { 1515} 
   (( resid 48 and name HN ))   
   (( resid 33 and name HD1% ))   
4.100  2.100  1.900  peak   1515  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.398   ppm2  0.948   CV     1  
 
ASSI  { 1516} 
   (( resid 48 and name HA ))   
   (( resid 33 and name HD1% ))   
4.700  2.700  1.300  peak   1516  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.946   ppm2  0.948   CV     1  
 
ASSI  { 1517} 
   (( resid 48 and name HB% ))   
   (( resid 33 and name HD1% ))   
4.000  2.000  2.000  peak   1517  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.462   ppm2  0.948   CV     1  
 
ASSI  { 1518} 
   (( resid 49 and name HN ))   
   (( resid 33 and name HD1% ))   
3.100  3.100  2.900  peak   1518  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.392   ppm2  0.948   CV     1  
 
ASSI  { 1529} 
   (( resid 35 and name HN ))   
   (( resid 34 and name HN ))   
3.000  3.000  3.000  peak   1529  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.146   ppm2  8.626   CV     1  
 
ASSI  { 1541} 
   (( resid 35 and name HA ))   
   (( resid 34 and name HA ))   
3.600  1.600  1.600  peak   1541  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.605   ppm2  5.428   CV     1  
 
ASSI  { 1543} 
   (( resid 35 and name HG2% ))   
   (( resid 34 and name HA ))   
4.200  2.200  1.800  peak   1543  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.970   ppm2  5.428   CV     1  
 
ASSI  { 1553} 
   (( resid 35 and name HN ))   
   (( resid 34 and name HB2 ))   
3.700  1.700  1.700  peak   1553  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.146   ppm2  2.627   CV     1  
 
ASSI  { 1554} 
   (( resid 35 and name HA ))   
   (( resid 34 and name HB2 ))   
3.600  1.700  1.700  peak   1554  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.605   ppm2  2.627   CV     1  
 
ASSI  { 1555} 
   (( resid 36 and name HN ))   
   (( resid 34 and name HB2 ))   
3.200  3.200  2.800  peak   1555  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.168   ppm2  2.627   CV     1  
 
ASSI  { 1556} 
   (( resid 36 and name HA ))   
   (( resid 34 and name HB2 ))   
3.600  3.600  2.400  peak   1556  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.131   ppm2  2.627   CV     1  
 
ASSI  { 1557} 
   (( resid 36 and name HB ))   
   (( resid 34 and name HB2 ))   
3.800  1.800  1.800  peak   1557  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.965   ppm2  2.627   CV     1  
 
ASSI  { 1558} 
   (( resid 36 and name HG1% ))   
   (( resid 34 and name HB2 ))   
3.600  3.600  2.400  peak   1558  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.007   ppm2  2.627   CV     1  
 
ASSI  { 1566} 
   (( resid 35 and name HN ))   
   (( resid 34 and name HB3 ))   
3.300  1.300  1.300  peak   1566  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.146   ppm2  2.560   CV     1  
 
ASSI  { 1585} 
   (( resid 36 and name HN ))   
   (( resid 35 and name HN ))   
2.800  2.800  3.200  peak   1585  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.168   ppm2  9.146   CV     1  
 
ASSI  { 1587} 
   (( resid 36 and name HB ))   
   (( resid 35 and name HN ))   
3.400  3.400  2.600  peak   1587  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.965   ppm2  9.146   CV     1  
 
ASSI  { 1588} 
   (( resid 37 and name HE% ))   
   (( resid 35 and name HN ))   
2.200  2.200  3.800  peak   1588  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.254   ppm2  9.146   CV     1  
 
ASSI  { 1597} 
   (( resid 36 and name HA ))   
   (( resid 35 and name HA ))   
3.700  1.700  1.700  peak   1597  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.131   ppm2  4.605   CV     1  
 
ASSI  { 1599} 
   (( resid 37 and name HD% ))   
   (( resid 35 and name HA ))   
3.300  1.400  1.400  peak   1599  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.488   ppm2  4.605   CV     1  
 
ASSI  { 1610} 
   (( resid 37 and name HD% ))   
   (( resid 35 and name HB ))   
3.500  1.500  1.500  peak   1610  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.488   ppm2  2.361   CV     1  
 
ASSI  { 1611} 
   (( resid 37 and name HE% ))   
   (( resid 35 and name HB ))   
3.000  1.100  1.100  peak   1611  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.254   ppm2  2.361   CV     1  
 
ASSI  { 1617} 
   (( resid 37 and name HD% ))   
   (( resid 35 and name HG1% ))   
3.500  1.500  1.500  peak   1617  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.488   ppm2  1.199   CV     1  
 
ASSI  { 1635} 
   (( resid 37 and name HN ))   
   (( resid 36 and name HN ))   
3.200  1.300  1.300  peak   1635  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.317   ppm2  8.168   CV     1  
 
ASSI  { 1636} 
   (( resid 37 and name HD% ))   
   (( resid 36 and name HN ))   
2.600  2.600  3.400  peak   1636  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.488   ppm2  8.168   CV     1  
 
ASSI  { 1652} 
   (( resid 37 and name HB3 ))   
   (( resid 36 and name HA ))   
3.700  1.700  1.700  peak   1652  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.676   ppm2  5.131   CV     1  
 
ASSI  { 1653} 
   (( resid 37 and name HD% ))   
   (( resid 36 and name HA ))   
2.900  1.100  1.100  peak   1653  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.488   ppm2  5.131   CV     1  
 
ASSI  { 1654} 
   (( resid 37 and name HE% ))   
   (( resid 36 and name HA ))   
3.200  1.200  1.200  peak   1654  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.254   ppm2  5.131   CV     1  
 
ASSI  { 1655} 
   (( resid 37 and name HZ ))   
   (( resid 36 and name HA ))   
2.400  2.400  3.600  peak   1655  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.365   ppm2  5.131   CV     1  
 
ASSI  { 1669} 
   (( resid 37 and name HD% ))   
   (( resid 36 and name HB ))   
2.800  2.800  3.200  peak   1669  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.488   ppm2  1.965   CV     1  
 
ASSI  { 1675} 
   (( resid 37 and name HN ))   
   (( resid 36 and name HG2% ))   
3.900  1.900  1.900  peak   1675  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.317   ppm2  0.905   CV     1  
 
ASSI  { 1676} 
   (( resid 37 and name HA ))   
   (( resid 36 and name HG2% ))   
4.400  2.400  1.600  peak   1676  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.809   ppm2  0.905   CV     1  
 
ASSI  { 1677} 
   (( resid 37 and name HB3 ))   
   (( resid 36 and name HG2% ))   
3.700  1.700  1.700  peak   1677  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.676   ppm2  0.905   CV     1  
 
ASSI  { 1678} 
   (( resid 37 and name HD% ))   
   (( resid 36 and name HG2% ))   
3.200  1.300  1.300  peak   1678  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.488   ppm2  0.905   CV     1  
 
ASSI  { 1693} 
   (( resid 37 and name HA ))   
   (( resid 36 and name HG1% ))   
4.100  2.100  1.900  peak   1693  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.809   ppm2  1.007   CV     1  
 
ASSI  { 1711} 
   (( resid 38 and name HN ))   
   (( resid 37 and name HN ))   
3.000  3.000  3.000  peak   1711  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.417   ppm2  8.317   CV     1  
 
ASSI  { 1712} 
   (( resid 38 and name HA ))   
   (( resid 37 and name HN ))   
2.800  2.800  3.200  peak   1712  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.359   ppm2  8.317   CV     1  
 
ASSI  { 1713} 
   (( resid 39 and name HN ))   
   (( resid 37 and name HN ))   
2.100  2.100  3.900  peak   1713  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.826   ppm2  8.317   CV     1  
 
ASSI  { 1725} 
   (( resid 39 and name HN ))   
   (( resid 37 and name HA ))   
3.600  3.600  2.400  peak   1725  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.826   ppm2  4.809   CV     1  
 
ASSI  { 1726} 
   (( resid 41 and name HG1% ))   
   (( resid 37 and name HA ))   
4.500  2.600  1.500  peak   1726  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.216   ppm2  4.809   CV     1  
 
ASSI  { 1727} 
   (( resid 43 and name HD% ))   
   (( resid 37 and name HA ))   
3.000  1.100  1.100  peak   1727  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.755   ppm2  4.809   CV     1  
 
ASSI  { 1734} 
   (( resid 38 and name HN ))   
   (( resid 37 and name HB2 ))   
3.400  1.500  1.500  peak   1734  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.417   ppm2  1.588   CV     1  
 
ASSI  { 1735} 
   (( resid 38 and name HA ))   
   (( resid 37 and name HB2 ))   
3.900  1.900  1.900  peak   1735  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.359   ppm2  1.588   CV     1  
 
ASSI  { 1736} 
   (( resid 39 and name HN ))   
   (( resid 37 and name HB2 ))   
3.700  1.700  1.700  peak   1736  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.826   ppm2  1.588   CV     1  
 
ASSI  { 1737} 
   (( resid 39 and name HA ))   
   (( resid 37 and name HB2 ))   
4.000  2.000  2.000  peak   1737  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.593   ppm2  1.588   CV     1  
 
ASSI  { 1738} 
   (( resid 40 and name HN ))   
   (( resid 37 and name HB2 ))   
3.300  1.400  1.400  peak   1738  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.223   ppm2  1.588   CV     1  
 
ASSI  { 1739} 
   (( resid 41 and name HN ))   
   (( resid 37 and name HB2 ))   
3.400  1.400  1.400  peak   1739  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.877   ppm2  1.588   CV     1  
 
ASSI  { 1740} 
   (( resid 41 and name HB ))   
   (( resid 37 and name HB2 ))   
4.600  2.700  1.400  peak   1740  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.378   ppm2  1.588   CV     1  
 
ASSI  { 1741} 
   (( resid 41 and name HG1% ))   
   (( resid 37 and name HB2 ))   
5.500  3.800  0.500  peak   1741  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.216   ppm2  1.588   CV     1  
 
ASSI  { 1743} 
   (( resid 43 and name HD% ))   
   (( resid 37 and name HB2 ))   
4.300  2.300  1.700  peak   1743  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.755   ppm2  1.588   CV     1  
 
ASSI  { 1744} 
   (( resid 43 and name HE% ))   
   (( resid 37 and name HB2 ))   
3.800  1.800  1.800  peak   1744  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.053   ppm2  1.588   CV     1  
 
ASSI  { 1745} 
   (( resid 57 and name HN ))   
   (( resid 37 and name HB2 ))   
3.400  1.400  1.400  peak   1745  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.142   ppm2  1.588   CV     1  
 
ASSI  { 1746} 
   (( resid 57 and name HB2 ))   
   (( resid 37 and name HB2 ))   
3.900  1.900  1.900  peak   1746  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.453   ppm2  1.588   CV     1  
 
ASSI  { 1747} 
   (( resid 57 and name HB3 ))   
   (( resid 37 and name HB2 ))   
4.800  2.900  1.200  peak   1747  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.528   ppm2  1.588   CV     1  
 
ASSI  { 1756} 
   (( resid 38 and name HN ))   
   (( resid 37 and name HB3 ))   
4.000  2.000  2.000  peak   1756  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.417   ppm2  2.676   CV     1  
 
ASSI  { 1757} 
   (( resid 39 and name HN ))   
   (( resid 37 and name HB3 ))   
4.100  2.100  1.900  peak   1757  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.826   ppm2  2.676   CV     1  
 
ASSI  { 1758} 
   (( resid 43 and name HD% ))   
   (( resid 37 and name HB3 ))   
3.700  1.700  1.700  peak   1758  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.755   ppm2  2.676   CV     1  
 
ASSI  { 1759} 
   (( resid 43 and name HE% ))   
   (( resid 37 and name HB3 ))   
3.100  1.200  1.200  peak   1759  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.053   ppm2  2.676   CV     1  
 
ASSI  { 1760} 
   (( resid 56 and name HA ))   
   (( resid 37 and name HB3 ))   
3.900  1.900  1.900  peak   1760  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.778   ppm2  2.676   CV     1  
 
ASSI  { 1761} 
   (( resid 57 and name HN ))   
   (( resid 37 and name HB3 ))   
3.400  1.500  1.500  peak   1761  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.142   ppm2  2.676   CV     1  
 
ASSI  { 1762} 
   (( resid 57 and name HB2 ))   
   (( resid 37 and name HB3 ))   
4.100  2.100  1.900  peak   1762  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.453   ppm2  2.676   CV     1  
 
ASSI  { 1780} 
   (( resid 43 and name HE% ))   
   (( resid 37 and name HD% ))   
3.300  1.300  1.300  peak   1780  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.053   ppm2  6.488   CV     1  
 
ASSI  { 1781} 
   (( resid 57 and name HB2 ))   
   (( resid 37 and name HD% ))   
3.200  1.300  1.300  peak   1781  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.453   ppm2  6.488   CV     1  
 
ASSI  { 1797} 
   (( resid 57 and name HB2 ))   
   (( resid 37 and name HE% ))   
3.400  1.500  1.500  peak   1797  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.453   ppm2  6.254   CV     1  
 
ASSI  { 1813} 
   (( resid 57 and name HB2 ))   
   (( resid 37 and name HZ ))   
3.700  3.700  2.300  peak   1813  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.453   ppm2  5.365   CV     1  
 
ASSI  { 1814} 
   (( resid 57 and name HB3 ))   
   (( resid 37 and name HZ ))   
3.700  3.700  2.300  peak   1814  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.528   ppm2  5.365   CV     1  
 
ASSI  { 1824} 
   (( resid 39 and name HN ))   
   (( resid 38 and name HN ))   
3.000  1.100  1.100  peak   1824  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.826   ppm2  9.417   CV     1  
 
ASSI  { 1825} 
   (( resid 39 and name HA ))   
   (( resid 38 and name HN ))   
3.300  3.300  2.700  peak   1825  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.593   ppm2  9.417   CV     1  
 
ASSI  { 1831} 
   (( resid 43 and name HD% ))   
   (( resid 38 and name HN ))   
2.700  2.700  3.300  peak   1831  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.755   ppm2  9.417   CV     1  
 
ASSI  { 1847} 
   (( resid 39 and name HA ))   
   (( resid 38 and name HA ))   
4.200  2.200  1.800  peak   1847  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.593   ppm2  5.359   CV     1  
 
ASSI  { 1848} 
   (( resid 41 and name HB ))   
   (( resid 38 and name HA ))   
2.800  2.800  3.200  peak   1848  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.378   ppm2  5.359   CV     1  
 
ASSI  { 1855} 
   (( resid 39 and name HN ))   
   (( resid 38 and name HB2 ))   
4.200  2.200  1.800  peak   1855  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.826   ppm2  2.024   CV     1  
 
ASSI  { 1856} 
   (( resid 41 and name HB ))   
   (( resid 38 and name HB2 ))   
4.300  2.300  1.700  peak   1856  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.378   ppm2  2.024   CV     1  
 
ASSI  { 1857} 
   (( resid 41 and name HG1% ))   
   (( resid 38 and name HB2 ))   
5.200  3.400  0.800  peak   1857  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.216   ppm2  2.024   CV     1  
 
ASSI  { 1863} 
   (( resid 39 and name HN ))   
   (( resid 38 and name HB3 ))   
4.100  2.100  1.900  peak   1863  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.826   ppm2  1.910   CV     1  
 
ASSI  { 1864} 
   (( resid 41 and name HA ))   
   (( resid 38 and name HB3 ))   
4.600  2.600  1.400  peak   1864  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.398   ppm2  1.910   CV     1  
 
ASSI  { 1866} 
   (( resid 41 and name HG1% ))   
   (( resid 38 and name HB3 ))   
5.400  3.700  0.600  peak   1866  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.216   ppm2  1.910   CV     1  
 
ASSI  { 1882} 
   (( resid 40 and name HN ))   
   (( resid 39 and name HN ))   
3.000  1.100  1.100  peak   1882  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.223   ppm2  8.826   CV     1  
 
ASSI  { 1883} 
   (( resid 41 and name HN ))   
   (( resid 39 and name HN ))   
2.100  2.100  3.900  peak   1883  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.877   ppm2  8.826   CV     1  
 
ASSI  { 1884} 
   (( resid 41 and name HB ))   
   (( resid 39 and name HN ))   
2.600  2.600  3.400  peak   1884  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.378   ppm2  8.826   CV     1  
 
ASSI  { 1896} 
   (( resid 40 and name HA1 ))   
   (( resid 39 and name HA ))   
4.400  2.400  1.600  peak   1896  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.624   ppm2  4.593   CV     1  
 
ASSI  { 1897} 
   (( resid 40 and name HA2 ))   
   (( resid 39 and name HA ))   
4.000  2.000  2.000  peak   1897  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.348   ppm2  4.593   CV     1  
 
ASSI  { 1900} 
   (( resid 57 and name HB2 ))   
   (( resid 39 and name HA ))   
3.700  1.700  1.700  peak   1900  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.453   ppm2  4.593   CV     1  
 
ASSI  { 1901} 
   (( resid 57 and name HB3 ))   
   (( resid 39 and name HA ))   
3.900  1.900  1.900  peak   1901  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.528   ppm2  4.593   CV     1  
 
ASSI  { 1904} 
   (( resid 59 and name HB2 ))   
   (( resid 39 and name HA ))   
3.600  1.700  1.700  peak   1904  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.301   ppm2  4.593   CV     1  
 
ASSI  { 1905} 
   (( resid 59 and name HB3 ))   
   (( resid 39 and name HA ))   
3.400  1.500  1.500  peak   1905  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.136   ppm2  4.593   CV     1  
 
ASSI  { 1916} 
   (( resid 59 and name HN ))   
   (( resid 39 and name HD1% ))   
4.100  2.200  1.900  peak   1916  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.862   ppm2  0.749   CV     1  
 
ASSI  { 1917} 
   (( resid 59 and name HB2 ))   
   (( resid 39 and name HD1% ))   
4.100  2.100  1.900  peak   1917  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.301   ppm2  0.749   CV     1  
 
ASSI  { 1918} 
   (( resid 59 and name HB3 ))   
   (( resid 39 and name HD1% ))   
4.800  2.800  1.200  peak   1918  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.136   ppm2  0.749   CV     1  
 
ASSI  { 1926} 
   (( resid 41 and name HN ))   
   (( resid 40 and name HN ))   
2.700  0.900  0.900  peak   1926  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.877   ppm2  9.223   CV     1  
 
ASSI  { 1932} 
   (( resid 57 and name HB3 ))   
   (( resid 40 and name HN ))   
3.400  1.400  1.400  peak   1932  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.528   ppm2  9.223   CV     1  
 
ASSI  { 1937} 
   (( resid 59 and name HN ))   
   (( resid 40 and name HN ))   
2.800  2.800  3.200  peak   1937  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.862   ppm2  9.223   CV     1  
 
ASSI  { 1942} 
   (( resid 41 and name HN ))   
   (( resid 40 and name HA1 ))   
3.100  1.200  1.200  peak   1942  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.877   ppm2  3.624   CV     1  
 
ASSI  { 1943} 
   (( resid 41 and name HA ))   
   (( resid 40 and name HA1 ))   
3.600  1.600  1.600  peak   1943  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.398   ppm2  3.624   CV     1  
 
ASSI  { 1944} 
   (( resid 41 and name HB ))   
   (( resid 40 and name HA1 ))   
4.500  2.500  1.500  peak   1944  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.378   ppm2  3.624   CV     1  
 
ASSI  { 1945} 
   (( resid 42 and name HN ))   
   (( resid 40 and name HA1 ))   
3.700  3.700  2.300  peak   1945  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.761   ppm2  3.624   CV     1  
 
ASSI  { 1946} 
   (( resid 57 and name HN ))   
   (( resid 40 and name HA1 ))   
3.000  1.100  1.100  peak   1946  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.142   ppm2  3.624   CV     1  
 
ASSI  { 1948} 
   (( resid 58 and name HA ))   
   (( resid 40 and name HA1 ))   
3.200  1.300  1.300  peak   1948  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.670   ppm2  3.624   CV     1  
 
ASSI  { 1949} 
   (( resid 58 and name HB ))   
   (( resid 40 and name HA1 ))   
4.500  2.500  1.500  peak   1949  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.282   ppm2  3.624   CV     1  
 
ASSI  { 1950} 
   (( resid 58 and name HG2% ))   
   (( resid 40 and name HA1 ))   
4.200  2.200  1.800  peak   1950  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.247   ppm2  3.624   CV     1  
 
ASSI  { 1955} 
   (( resid 41 and name HN ))   
   (( resid 40 and name HA2 ))   
3.600  1.600  1.600  peak   1955  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.877   ppm2  4.348   CV     1  
 
ASSI  { 1956} 
   (( resid 41 and name HA ))   
   (( resid 40 and name HA2 ))   
3.600  1.600  1.600  peak   1956  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.398   ppm2  4.348   CV     1  
 
ASSI  { 1957} 
   (( resid 41 and name HB ))   
   (( resid 40 and name HA2 ))   
4.300  2.400  1.700  peak   1957  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.378   ppm2  4.348   CV     1  
 
ASSI  { 1958} 
   (( resid 58 and name HA ))   
   (( resid 40 and name HA2 ))   
3.700  1.700  1.700  peak   1958  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.670   ppm2  4.348   CV     1  
 
ASSI  { 1959} 
   (( resid 58 and name HB ))   
   (( resid 40 and name HA2 ))   
4.600  2.700  1.400  peak   1959  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.282   ppm2  4.348   CV     1  
 
ASSI  { 1960} 
   (( resid 58 and name HG2% ))   
   (( resid 40 and name HA2 ))   
4.300  2.300  1.700  peak   1960  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.247   ppm2  4.348   CV     1  
 
ASSI  { 1972} 
   (( resid 42 and name HN ))   
   (( resid 41 and name HN ))   
3.400  1.500  1.500  peak   1972  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.761   ppm2  7.877   CV     1  
 
ASSI  { 1974} 
   (( resid 43 and name HD% ))   
   (( resid 41 and name HN ))   
2.800  2.800  3.200  peak   1974  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.755   ppm2  7.877   CV     1  
 
ASSI  { 1980} 
   (( resid 58 and name HG2% ))   
   (( resid 41 and name HN ))   
2.900  2.900  3.100  peak   1980  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.247   ppm2  7.877   CV     1  
 
ASSI  { 2004} 
   (( resid 43 and name HD% ))   
   (( resid 41 and name HB ))   
3.300  1.400  1.400  peak   2004  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.755   ppm2  2.378   CV     1  
 
ASSI  { 2014} 
   (( resid 42 and name HN ))   
   (( resid 41 and name HG1% ))   
3.600  1.600  1.600  peak   2014  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.761   ppm2  1.216   CV     1  
 
ASSI  { 2015} 
   (( resid 43 and name HB3 ))   
   (( resid 41 and name HG1% ))   
4.300  2.400  1.700  peak   2015  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.423   ppm2  1.216   CV     1  
 
ASSI  { 2016} 
   (( resid 43 and name HD% ))   
   (( resid 41 and name HG1% ))   
3.600  1.600  1.600  peak   2016  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.755   ppm2  1.216   CV     1  
 
ASSI  { 2030} 
   (( resid 43 and name HB3 ))   
   (( resid 42 and name HN ))   
3.200  3.200  2.800  peak   2030  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.423   ppm2  8.761   CV     1  
 
ASSI  { 2031} 
   (( resid 43 and name HD% ))   
   (( resid 42 and name HN ))   
2.800  2.800  3.200  peak   2031  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.755   ppm2  8.761   CV     1  
 
ASSI  { 2035} 
   (( resid 57 and name HN ))   
   (( resid 42 and name HN ))   
2.100  2.100  3.900  peak   2035  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.142   ppm2  8.761   CV     1  
 
ASSI  { 2041} 
   (( resid 43 and name HA ))   
   (( resid 42 and name HA ))   
3.800  1.800  1.800  peak   2041  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.117   ppm2  4.870   CV     1  
 
ASSI  { 2042} 
   (( resid 43 and name HB3 ))   
   (( resid 42 and name HA ))   
3.800  1.800  1.800  peak   2042  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.423   ppm2  4.870   CV     1  
 
ASSI  { 2043} 
   (( resid 43 and name HD% ))   
   (( resid 42 and name HA ))   
2.900  1.100  1.100  peak   2043  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.755   ppm2  4.870   CV     1  
 
ASSI  { 2068} 
   (( resid 44 and name HN ))   
   (( resid 43 and name HN ))   
3.100  1.200  1.200  peak   2068  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.155   ppm2  9.527   CV     1  
 
ASSI  { 2073} 
   (( resid 55 and name HA2 ))   
   (( resid 43 and name HN ))   
3.400  1.400  1.400  peak   2073  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.963   ppm2  9.527   CV     1  
 
ASSI  { 2085} 
   (( resid 44 and name HA ))   
   (( resid 43 and name HA ))   
3.600  1.700  1.700  peak   2085  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.234   ppm2  5.117   CV     1  
 
ASSI  { 2091} 
   (( resid 44 and name HN ))   
   (( resid 43 and name HB2 ))   
3.300  1.400  1.400  peak   2091  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.155   ppm2  3.637   CV     1  
 
ASSI  { 2092} 
   (( resid 44 and name HA ))   
   (( resid 43 and name HB2 ))   
3.400  3.400  2.600  peak   2092  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.234   ppm2  3.637   CV     1  
 
ASSI  { 2093} 
   (( resid 45 and name HN ))   
   (( resid 43 and name HB2 ))   
3.400  3.400  2.600  peak   2093  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.523   ppm2  3.637   CV     1  
 
ASSI  { 2094} 
   (( resid 45 and name HB3 ))   
   (( resid 43 and name HB2 ))   
4.200  4.200  1.800  peak   2094  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.950   ppm2  3.637   CV     1  
 
ASSI  { 2095} 
   (( resid 45 and name HB2 ))   
   (( resid 43 and name HB2 ))   
3.500  3.500  2.500  peak   2095  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.630   ppm2  3.637   CV     1  
 
ASSI  { 2122} 
   (( resid 56 and name HA ))   
   (( resid 43 and name HD% ))   
2.900  2.900  3.100  peak   2122  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.778   ppm2  7.755   CV     1  
 
ASSI  { 2123} 
   (( resid 57 and name HN ))   
   (( resid 43 and name HD% ))   
2.100  2.100  3.900  peak   2123  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.142   ppm2  7.755   CV     1  
 
ASSI  { 2139} 
   (( resid 57 and name HB2 ))   
   (( resid 43 and name HE% ))   
3.400  3.400  2.600  peak   2139  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.453   ppm2  7.053   CV     1  
 
ASSI  { 2148} 
   (( resid 45 and name HA ))   
   (( resid 44 and name HN ))   
3.000  3.000  3.000  peak   2148  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.974   ppm2  8.155   CV     1  
 
ASSI  { 2149} 
   (( resid 45 and name HB3 ))   
   (( resid 44 and name HN ))   
3.700  3.700  2.300  peak   2149  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.950   ppm2  8.155   CV     1  
 
ASSI  { 2150} 
   (( resid 54 and name HA ))   
   (( resid 44 and name HN ))   
3.400  1.400  1.400  peak   2150  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.445   ppm2  8.155   CV     1  
 
ASSI  { 2158} 
   (( resid 45 and name HA ))   
   (( resid 44 and name HA ))   
3.700  1.700  1.700  peak   2158  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.974   ppm2  5.234   CV     1  
 
ASSI  { 2159} 
   (( resid 45 and name HB3 ))   
   (( resid 44 and name HA ))   
4.100  2.100  1.900  peak   2159  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.950   ppm2  5.234   CV     1  
 
ASSI  { 2160} 
   (( resid 45 and name HB2 ))   
   (( resid 44 and name HA ))   
3.900  1.900  1.900  peak   2160  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.630   ppm2  5.234   CV     1  
 
ASSI  { 2165} 
   (( resid 55 and name HN ))   
   (( resid 44 and name HA ))   
3.600  1.600  1.600  peak   2165  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.671   ppm2  5.234   CV     1  
 
ASSI  { 2182} 
   (( resid 46 and name HA ))   
   (( resid 45 and name HN ))   
2.900  2.900  3.100  peak   2182  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.226   ppm2  8.523   CV     1  
 
ASSI  { 2183} 
   (( resid 52 and name HA ))   
   (( resid 45 and name HN ))   
3.100  3.100  2.900  peak   2183  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.467   ppm2  8.523   CV     1  
 
ASSI  { 2186} 
   (( resid 54 and name HN ))   
   (( resid 45 and name HN ))   
2.800  2.800  3.200  peak   2186  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.557   ppm2  8.523   CV     1  
 
ASSI  { 2188} 
   (( resid 55 and name HN ))   
   (( resid 45 and name HN ))   
2.100  2.100  3.900  peak   2188  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.671   ppm2  8.523   CV     1  
 
ASSI  { 2199} 
   (( resid 46 and name HB2 ))   
   (( resid 45 and name HA ))   
3.900  1.900  1.900  peak   2199  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.543   ppm2  4.974   CV     1  
 
ASSI  { 2200} 
   (( resid 46 and name HB3 ))   
   (( resid 45 and name HA ))   
4.400  2.400  1.600  peak   2200  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.637   ppm2  4.974   CV     1  
 
ASSI  { 2210} 
   (( resid 46 and name HN ))   
   (( resid 45 and name HB3 ))   
3.500  1.500  1.500  peak   2210  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.645   ppm2  2.950   CV     1  
 
ASSI  { 2219} 
   (( resid 46 and name HN ))   
   (( resid 45 and name HB2 ))   
4.000  2.000  2.000  peak   2219  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.645   ppm2  2.630   CV     1  
 
ASSI  { 2220} 
   (( resid 46 and name HA ))   
   (( resid 45 and name HB2 ))   
2.700  2.700  3.300  peak   2220  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.226   ppm2  2.630   CV     1  
 
ASSI  { 2228} 
   (( resid 46 and name HN ))   
   (( resid 45 and name HD% ))   
2.900  1.100  1.100  peak   2228  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.645   ppm2  6.534   CV     1  
 
ASSI  { 2229} 
   (( resid 46 and name HA ))   
   (( resid 45 and name HD% ))   
3.500  1.500  1.500  peak   2229  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.226   ppm2  6.534   CV     1  
 
ASSI  { 2230} 
   (( resid 46 and name HB2 ))   
   (( resid 45 and name HD% ))   
4.000  2.000  2.000  peak   2230  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.543   ppm2  6.534   CV     1  
 
ASSI  { 2231} 
   (( resid 46 and name HB3 ))   
   (( resid 45 and name HD% ))   
3.800  1.800  1.800  peak   2231  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.637   ppm2  6.534   CV     1  
 
ASSI  { 2232} 
   (( resid 47 and name HN ))   
   (( resid 45 and name HD% ))   
3.100  3.100  2.900  peak   2232  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.081   ppm2  6.534   CV     1  
 
ASSI  { 2233} 
   (( resid 47 and name HA ))   
   (( resid 45 and name HD% ))   
3.000  3.000  3.000  peak   2233  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.316   ppm2  6.534   CV     1  
 
ASSI  { 2237} 
   (( resid 46 and name HN ))   
   (( resid 45 and name HE% ))   
3.000  1.200  1.200  peak   2237  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.645   ppm2  6.153   CV     1  
 
ASSI  { 2238} 
   (( resid 46 and name HB3 ))   
   (( resid 45 and name HE% ))   
3.300  3.300  2.700  peak   2238  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.637   ppm2  6.153   CV     1  
 
ASSI  { 2240} 
   (( resid 48 and name HN ))   
   (( resid 45 and name HE% ))   
2.300  2.300  3.700  peak   2240  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.398   ppm2  6.153   CV     1  
 
ASSI  { 2252} 
   (( resid 47 and name HA ))   
   (( resid 46 and name HN ))   
2.400  2.400  3.600  peak   2252  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.316   ppm2  7.645   CV     1  
 
ASSI  { 2253} 
   (( resid 52 and name HA ))   
   (( resid 46 and name HN ))   
2.400  2.400  3.600  peak   2253  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.467   ppm2  7.645   CV     1  
 
ASSI  { 2268} 
   (( resid 53 and name HN ))   
   (( resid 46 and name HA ))   
2.900  1.000  1.000  peak   2268  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.775   ppm2  5.226   CV     1  
 
ASSI  { 2276} 
   (( resid 49 and name HA ))   
   (( resid 46 and name HB2 ))   
4.100  2.100  1.900  peak   2276  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.440   ppm2  3.543   CV     1  
 
ASSI  { 2277} 
   (( resid 52 and name HA ))   
   (( resid 46 and name HB2 ))   
3.500  1.500  1.500  peak   2277  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.467   ppm2  3.543   CV     1  
 
ASSI  { 2285} 
   (( resid 47 and name HN ))   
   (( resid 46 and name HB3 ))   
3.600  1.600  1.600  peak   2285  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.081   ppm2  3.637   CV     1  
 
ASSI  { 2286} 
   (( resid 52 and name HA ))   
   (( resid 46 and name HB3 ))   
2.700  2.700  3.300  peak   2286  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.467   ppm2  3.637   CV     1  
 
ASSI  { 2299} 
   (( resid 52 and name HN ))   
   (( resid 47 and name HN ))   
2.900  2.900  3.100  peak   2299  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.294   ppm2  8.081   CV     1  
 
ASSI  { 2301} 
   (( resid 53 and name HN ))   
   (( resid 47 and name HN ))   
3.000  3.000  3.000  peak   2301  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.775   ppm2  8.081   CV     1  
 
ASSI  { 2311} 
   (( resid 48 and name HA ))   
   (( resid 47 and name HA ))   
4.800  2.900  1.200  peak   2311  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.946   ppm2  4.316   CV     1  
 
ASSI  { 2321} 
   (( resid 49 and name HN ))   
   (( resid 48 and name HN ))   
2.800  1.000  1.000  peak   2321  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.392   ppm2  7.398   CV     1  
 
ASSI  { 2329} 
   (( resid 49 and name HB2 ))   
   (( resid 48 and name HA ))   
3.800  1.800  1.800  peak   2329  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.527   ppm2  3.946   CV     1  
 
ASSI  { 2330} 
   (( resid 50 and name HN ))   
   (( resid 48 and name HA ))   
3.300  1.400  1.400  peak   2330  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.014   ppm2  3.946   CV     1  
 
ASSI  { 2337} 
   (( resid 49 and name HB2 ))   
   (( resid 48 and name HB% ))   
4.800  2.900  1.200  peak   2337  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.527   ppm2  1.462   CV     1  
 
ASSI  { 2339} 
   (( resid 50 and name HA1 ))   
   (( resid 48 and name HB% ))   
3.300  3.300  2.700  peak   2339  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.558   ppm2  1.462   CV     1  
 
ASSI  { 2341} 
   (( resid 51 and name HG2% ))   
   (( resid 48 and name HB% ))   
4.100  2.100  1.900  peak   2341  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.965   ppm2  1.462   CV     1  
 
ASSI  { 2354} 
   (( resid 51 and name HN ))   
   (( resid 49 and name HN ))   
3.200  1.300  1.300  peak   2354  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.823   ppm2  7.392   CV     1  
 
ASSI  { 2361} 
   (( resid 50 and name HA2 ))   
   (( resid 49 and name HA ))   
4.000  2.000  2.000  peak   2361  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.403   ppm2  4.440   CV     1  
 
ASSI  { 2369} 
   (( resid 50 and name HN ))   
   (( resid 49 and name HB2 ))   
3.800  1.800  1.800  peak   2369  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.014   ppm2  2.527   CV     1  
 
ASSI  { 2370} 
   (( resid 50 and name HA2 ))   
   (( resid 49 and name HB2 ))   
2.900  2.900  3.100  peak   2370  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.403   ppm2  2.527   CV     1  
 
ASSI  { 2371} 
   (( resid 50 and name HA1 ))   
   (( resid 49 and name HB2 ))   
3.000  3.000  3.000  peak   2371  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.558   ppm2  2.527   CV     1  
 
ASSI  { 2376} 
   (( resid 50 and name HN ))   
   (( resid 49 and name HB3 ))   
3.400  1.400  1.400  peak   2376  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.014   ppm2  3.079   CV     1  
 
ASSI  { 2377} 
   (( resid 50 and name HA2 ))   
   (( resid 49 and name HB3 ))   
3.700  1.700  1.700  peak   2377  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.403   ppm2  3.079   CV     1  
 
ASSI  { 2387} 
   (( resid 51 and name HN ))   
   (( resid 50 and name HN ))   
2.800  1.000  1.000  peak   2387  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.823   ppm2  8.014   CV     1  
 
ASSI  { 2389} 
   (( resid 51 and name HG2% ))   
   (( resid 50 and name HN ))   
4.300  2.300  1.700  peak   2389  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.965   ppm2  8.014   CV     1  
 
ASSI  { 2396} 
   (( resid 51 and name HN ))   
   (( resid 50 and name HA2 ))   
3.300  1.400  1.400  peak   2396  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.823   ppm2  4.403   CV     1  
 
ASSI  { 2397} 
   (( resid 51 and name HA ))   
   (( resid 50 and name HA2 ))   
3.700  1.700  1.700  peak   2397  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.782   ppm2  4.403   CV     1  
 
ASSI  { 2403} 
   (( resid 51 and name HN ))   
   (( resid 50 and name HA1 ))   
3.500  1.500  1.500  peak   2403  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.823   ppm2  3.558   CV     1  
 
ASSI  { 2404} 
   (( resid 51 and name HA ))   
   (( resid 50 and name HA1 ))   
3.700  1.700  1.700  peak   2404  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.782   ppm2  3.558   CV     1  
 
ASSI  { 2405} 
   (( resid 51 and name HG2% ))   
   (( resid 50 and name HA1 ))   
3.500  1.500  1.500  peak   2405  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.965   ppm2  3.558   CV     1  
 
ASSI  { 2429} 
   (( resid  and name  ))   
   (( resid 51 and name HA ))   
5.900  4.300  0.100  peak   2429  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  3.782   CV     1  
 
ASSI  { 2432} 
   (( resid 72 and name HB3 ))   
   (( resid 51 and name HA ))   
3.900  1.900  1.900  peak   2432  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.773   ppm2  3.782   CV     1  
 
ASSI  { 2433} 
   (( resid 72 and name HB2 ))   
   (( resid 51 and name HA ))   
4.000  2.000  2.000  peak   2433  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.513   ppm2  3.782   CV     1  
 
ASSI  { 2444} 
   (( resid  and name  ))   
   (( resid 51 and name HB ))   
6.000  4.500  0.000  peak   2444  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  1.994   CV     1  
 
ASSI  { 2454} 
   (( resid 52 and name HN ))   
   (( resid 51 and name HG2% ))   
5.000  3.200  1.000  peak   2454  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.294   ppm2  0.965   CV     1  
 
ASSI  { 2455} 
   (( resid  and name  ))   
   (( resid 51 and name HG2% ))   
6.000  5.500  0.000  peak   2455  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  0.965   CV     1  
 
ASSI  { 2469} 
   (( resid  and name  ))   
   (( resid 52 and name HN ))   
4.800  2.900  1.200  peak   2469  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  8.294   CV     1  
 
ASSI  { 2470} 
   (( resid 70 and name HN ))   
   (( resid 52 and name HN ))   
3.100  3.100  2.900  peak   2470  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.962   ppm2  8.294   CV     1  
 
ASSI  { 2474} 
   (( resid 72 and name HB3 ))   
   (( resid 52 and name HN ))   
3.500  1.500  1.500  peak   2474  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.773   ppm2  8.294   CV     1  
 
ASSI  { 2487} 
   (( resid 53 and name HA ))   
   (( resid 52 and name HA ))   
3.500  1.600  1.600  peak   2487  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.327   ppm2  4.467   CV     1  
 
ASSI  { 2489} 
   (( resid 70 and name HA ))   
   (( resid 52 and name HA ))   
3.500  1.500  1.500  peak   2489  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.528   ppm2  4.467   CV     1  
 
ASSI  { 2532} 
   (( resid 68 and name HB2 ))   
   (( resid 53 and name HA ))   
4.600  2.600  1.400  peak   2532  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.003   ppm2  5.327   CV     1  
 
ASSI  { 2533} 
   (( resid 68 and name HB3 ))   
   (( resid 53 and name HA ))   
3.900  1.900  1.900  peak   2533  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.859   ppm2  5.327   CV     1  
 
ASSI  { 2539} 
   (( resid 71 and name HN ))   
   (( resid 53 and name HA ))   
2.800  1.000  1.000  peak   2539  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.277   ppm2  5.327   CV     1  
 
ASSI  { 2563} 
   (( resid 68 and name HB2 ))   
   (( resid 53 and name HG ))   
6.000  6.000  0.000  peak   2563  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.003   ppm2  0.192   CV     1  
 
ASSI  { 2564} 
   (( resid 68 and name HB3 ))   
   (( resid 53 and name HG ))   
6.000  4.600  0.000  peak   2564  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.859   ppm2  0.192   CV     1  
 
ASSI  { 2570} 
   (( resid 77 and name HD2% ))   
   (( resid 53 and name HG ))   
6.000  6.000  0.000  peak   2570  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.712   ppm2  0.192   CV     1  
 
ASSI  { 2594} 
   (( resid 55 and name HA1 ))   
   (( resid 54 and name HN ))   
3.400  1.500  1.500  peak   2594  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.572   ppm2  8.557   CV     1  
 
ASSI  { 2595} 
   (( resid 55 and name HA2 ))   
   (( resid 54 and name HN ))   
3.500  1.500  1.500  peak   2595  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.963   ppm2  8.557   CV     1  
 
ASSI  { 2597} 
   (( resid 68 and name HB2 ))   
   (( resid 54 and name HN ))   
4.400  2.400  1.600  peak   2597  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.003   ppm2  8.557   CV     1  
 
ASSI  { 2598} 
   (( resid 68 and name HB3 ))   
   (( resid 54 and name HN ))   
3.700  1.700  1.700  peak   2598  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.859   ppm2  8.557   CV     1  
 
ASSI  { 2602} 
   (( resid 70 and name HA ))   
   (( resid 54 and name HN ))   
3.300  1.400  1.400  peak   2602  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.528   ppm2  8.557   CV     1  
 
ASSI  { 2603} 
   (( resid 71 and name HN ))   
   (( resid 54 and name HN ))   
2.800  2.800  3.200  peak   2603  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.277   ppm2  8.557   CV     1  
 
ASSI  { 2615} 
   (( resid 55 and name HA1 ))   
   (( resid 54 and name HA ))   
3.900  1.900  1.900  peak   2615  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.572   ppm2  5.445   CV     1  
 
ASSI  { 2637} 
   (( resid 55 and name HA1 ))   
   (( resid 54 and name HG2% ))   
4.300  2.300  1.700  peak   2637  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.572   ppm2  1.181   CV     1  
 
ASSI  { 2638} 
   (( resid 55 and name HA2 ))   
   (( resid 54 and name HG2% ))   
5.000  3.100  1.000  peak   2638  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.963   ppm2  1.181   CV     1  
 
ASSI  { 2651} 
   (( resid 56 and name HA ))   
   (( resid 55 and name HN ))   
3.000  3.000  3.000  peak   2651  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.778   ppm2  8.671   CV     1  
 
ASSI  { 2652} 
   (( resid 56 and name HB ))   
   (( resid 55 and name HN ))   
3.500  3.500  2.500  peak   2652  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.837   ppm2  8.671   CV     1  
 
ASSI  { 2654} 
   (( resid 68 and name HB3 ))   
   (( resid 55 and name HN ))   
3.700  3.700  2.300  peak   2654  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.859   ppm2  8.671   CV     1  
 
ASSI  { 2664} 
   (( resid 56 and name HN ))   
   (( resid 55 and name HA1 ))   
2.900  1.100  1.100  peak   2664  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.766   ppm2  4.572   CV     1  
 
ASSI  { 2665} 
   (( resid 56 and name HA ))   
   (( resid 55 and name HA1 ))   
3.600  1.600  1.600  peak   2665  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.778   ppm2  4.572   CV     1  
 
ASSI  { 2666} 
   (( resid 56 and name HB ))   
   (( resid 55 and name HA1 ))   
3.900  1.900  1.900  peak   2666  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.837   ppm2  4.572   CV     1  
 
ASSI  { 2667} 
   (( resid 56 and name HG2% ))   
   (( resid 55 and name HA1 ))   
5.300  3.500  0.700  peak   2667  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.038   ppm2  4.572   CV     1  
 
ASSI  { 2668} 
   (( resid 67 and name HN ))   
   (( resid 55 and name HA1 ))   
3.600  1.600  1.600  peak   2668  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.491   ppm2  4.572   CV     1  
 
ASSI  { 2669} 
   (( resid 68 and name HA ))   
   (( resid 55 and name HA1 ))   
3.800  1.800  1.800  peak   2669  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.443   ppm2  4.572   CV     1  
 
ASSI  { 2670} 
   (( resid 68 and name HB3 ))   
   (( resid 55 and name HA1 ))   
4.800  2.800  1.200  peak   2670  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.859   ppm2  4.572   CV     1  
 
ASSI  { 2678} 
   (( resid 56 and name HN ))   
   (( resid 55 and name HA2 ))   
3.300  1.400  1.400  peak   2678  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.766   ppm2  3.963   CV     1  
 
ASSI  { 2679} 
   (( resid 56 and name HA ))   
   (( resid 55 and name HA2 ))   
3.700  1.700  1.700  peak   2679  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.778   ppm2  3.963   CV     1  
 
ASSI  { 2680} 
   (( resid 56 and name HB ))   
   (( resid 55 and name HA2 ))   
4.500  2.500  1.500  peak   2680  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.837   ppm2  3.963   CV     1  
 
ASSI  { 2681} 
   (( resid 56 and name HG2% ))   
   (( resid 55 and name HA2 ))   
6.000  4.400  0.000  peak   2681  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.038   ppm2  3.963   CV     1  
 
ASSI  { 2682} 
   (( resid 67 and name HN ))   
   (( resid 55 and name HA2 ))   
3.100  1.200  1.200  peak   2682  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.491   ppm2  3.963   CV     1  
 
ASSI  { 2683} 
   (( resid 67 and name HA ))   
   (( resid 55 and name HA2 ))   
3.400  3.400  2.600  peak   2683  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.554   ppm2  3.963   CV     1  
 
ASSI  { 2684} 
   (( resid 68 and name HN ))   
   (( resid 55 and name HA2 ))   
3.000  1.200  1.200  peak   2684  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.457   ppm2  3.963   CV     1  
 
ASSI  { 2685} 
   (( resid 68 and name HA ))   
   (( resid 55 and name HA2 ))   
2.900  1.100  1.100  peak   2685  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.443   ppm2  3.963   CV     1  
 
ASSI  { 2686} 
   (( resid 68 and name HB2 ))   
   (( resid 55 and name HA2 ))   
4.300  2.300  1.700  peak   2686  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.003   ppm2  3.963   CV     1  
 
ASSI  { 2688} 
   (( resid 69 and name HN ))   
   (( resid 55 and name HA2 ))   
3.400  1.500  1.500  peak   2688  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.206   ppm2  3.963   CV     1  
 
ASSI  { 2698} 
   (( resid 57 and name HN ))   
   (( resid 56 and name HN ))   
3.200  1.300  1.300  peak   2698  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.142   ppm2  6.766   CV     1  
 
ASSI  { 2699} 
   (( resid 57 and name HA ))   
   (( resid 56 and name HN ))   
3.100  3.100  2.900  peak   2699  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.340   ppm2  6.766   CV     1  
 
ASSI  { 2701} 
   (( resid 66 and name HA2 ))   
   (( resid 56 and name HN ))   
3.900  1.900  1.900  peak   2701  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.434   ppm2  6.766   CV     1  
 
ASSI  { 2703} 
   (( resid 67 and name HA ))   
   (( resid 56 and name HN ))   
3.300  3.300  2.700  peak   2703  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.554   ppm2  6.766   CV     1  
 
ASSI  { 2705} 
   (( resid 68 and name HA ))   
   (( resid 56 and name HN ))   
3.800  1.800  1.800  peak   2705  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.443   ppm2  6.766   CV     1  
 
ASSI  { 2722} 
   (( resid 57 and name HB2 ))   
   (( resid 56 and name HA ))   
4.400  2.400  1.600  peak   2722  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.453   ppm2  4.778   CV     1  
 
ASSI  { 2736} 
   (( resid 58 and name HG2% ))   
   (( resid 56 and name HB ))   
3.300  3.300  2.700  peak   2736  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.247   ppm2  3.837   CV     1  
 
ASSI  { 2737} 
   (( resid 67 and name HN ))   
   (( resid 56 and name HB ))   
2.400  2.400  3.600  peak   2737  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.491   ppm2  3.837   CV     1  
 
ASSI  { 2746} 
   (( resid 57 and name HA ))   
   (( resid 56 and name HG2% ))   
4.200  2.200  1.800  peak   2746  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.340   ppm2  1.038   CV     1  
 
ASSI  { 2747} 
   (( resid 58 and name HN ))   
   (( resid 56 and name HG2% ))   
3.900  1.900  1.900  peak   2747  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.257   ppm2  1.038   CV     1  
 
ASSI  { 2749} 
   (( resid 66 and name HA1 ))   
   (( resid 56 and name HG2% ))   
4.300  2.300  1.700  peak   2749  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.805   ppm2  1.038   CV     1  
 
ASSI  { 2750} 
   (( resid 66 and name HA2 ))   
   (( resid 56 and name HG2% ))   
5.300  3.400  0.700  peak   2750  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.434   ppm2  1.038   CV     1  
 
ASSI  { 2752} 
   (( resid 67 and name HB3 ))   
   (( resid 56 and name HG2% ))   
4.000  2.000  2.000  peak   2752  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.600   ppm2  1.038   CV     1  
 
ASSI  { 2772} 
   (( resid 58 and name HN ))   
   (( resid 57 and name HN ))   
3.000  3.000  3.000  peak   2772  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.257   ppm2  9.142   CV     1  
 
ASSI  { 2773} 
   (( resid 58 and name HA ))   
   (( resid 57 and name HN ))   
3.000  3.000  3.000  peak   2773  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.670   ppm2  9.142   CV     1  
 
ASSI  { 2786} 
   (( resid 59 and name HN ))   
   (( resid 57 and name HA ))   
3.600  3.600  2.400  peak   2786  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.862   ppm2  5.340   CV     1  
 
ASSI  { 2787} 
   (( resid 66 and name HA1 ))   
   (( resid 57 and name HA ))   
3.900  1.900  1.900  peak   2787  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.805   ppm2  5.340   CV     1  
 
ASSI  { 2788} 
   (( resid 66 and name HA2 ))   
   (( resid 57 and name HA ))   
3.200  1.200  1.200  peak   2788  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.434   ppm2  5.340   CV     1  
 
ASSI  { 2804} 
   (( resid 58 and name HN ))   
   (( resid 57 and name HB2 ))   
4.000  2.000  2.000  peak   2804  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.257   ppm2  2.453   CV     1  
 
ASSI  { 2814} 
   (( resid 58 and name HN ))   
   (( resid 57 and name HB3 ))   
3.600  1.600  1.600  peak   2814  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.257   ppm2  2.528   CV     1  
 
ASSI  { 2815} 
   (( resid 58 and name HA ))   
   (( resid 57 and name HB3 ))   
3.700  1.700  1.700  peak   2815  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.670   ppm2  2.528   CV     1  
 
ASSI  { 2816} 
   (( resid 59 and name HN ))   
   (( resid 57 and name HB3 ))   
3.500  3.500  2.500  peak   2816  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.862   ppm2  2.528   CV     1  
 
ASSI  { 2818} 
   (( resid 59 and name HB2 ))   
   (( resid 57 and name HB3 ))   
4.000  4.000  2.000  peak   2818  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.301   ppm2  2.528   CV     1  
 
ASSI  { 2831} 
   (( resid 59 and name HN ))   
   (( resid 58 and name HN ))   
3.100  1.200  1.200  peak   2831  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.862   ppm2  9.257   CV     1  
 
ASSI  { 2832} 
   (( resid 59 and name HA ))   
   (( resid 58 and name HN ))   
2.900  2.900  3.100  peak   2832  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.498   ppm2  9.257   CV     1  
 
ASSI  { 2836} 
   (( resid 66 and name HA1 ))   
   (( resid 58 and name HN ))   
3.100  1.200  1.200  peak   2836  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.805   ppm2  9.257   CV     1  
 
ASSI  { 2837} 
   (( resid 66 and name HA2 ))   
   (( resid 58 and name HN ))   
3.600  1.600  1.600  peak   2837  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.434   ppm2  9.257   CV     1  
 
ASSI  { 2851} 
   (( resid 59 and name HA ))   
   (( resid 58 and name HA ))   
3.600  1.600  1.600  peak   2851  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.498   ppm2  4.670   CV     1  
 
ASSI  { 2852} 
   (( resid 59 and name HB3 ))   
   (( resid 58 and name HA ))   
4.800  2.900  1.200  peak   2852  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.136   ppm2  4.670   CV     1  
 
ASSI  { 2860} 
   (( resid 59 and name HN ))   
   (( resid 58 and name HB ))   
3.300  1.300  1.300  peak   2860  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.862   ppm2  4.282   CV     1  
 
ASSI  { 2873} 
   (( resid 59 and name HN ))   
   (( resid 58 and name HG2% ))   
4.700  2.700  1.300  peak   2873  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.862   ppm2  1.247   CV     1  
 
ASSI  { 2874} 
   (( resid 66 and name HA1 ))   
   (( resid 58 and name HG2% ))   
3.200  3.200  2.800  peak   2874  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.805   ppm2  1.247   CV     1  
 
ASSI  { 2875} 
   (( resid 66 and name HA2 ))   
   (( resid 58 and name HG2% ))   
3.700  1.700  1.700  peak   2875  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.434   ppm2  1.247   CV     1  
 
ASSI  { 2891} 
   (( resid 60 and name HN ))   
   (( resid 59 and name HN ))   
3.200  1.300  1.300  peak   2891  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.095   ppm2  8.862   CV     1  
 
ASSI  { 2903} 
   (( resid 60 and name HA ))   
   (( resid 59 and name HA ))   
3.700  1.700  1.700  peak   2903  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.684   ppm2  5.498   CV     1  
 
ASSI  { 2904} 
   (( resid 60 and name HB2 ))   
   (( resid 59 and name HA ))   
3.900  1.900  1.900  peak   2904  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.055   ppm2  5.498   CV     1  
 
ASSI  { 2905} 
   (( resid 60 and name HB3 ))   
   (( resid 59 and name HA ))   
4.200  2.200  1.800  peak   2905  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.922   ppm2  5.498   CV     1  
 
ASSI  { 2908} 
   (( resid  and name  ))   
   (( resid 59 and name HA ))   
4.000  2.000  2.000  peak   2908  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  5.498   CV     1  
 
ASSI  { 2910} 
   (( resid 64 and name HA ))   
   (( resid 59 and name HA ))   
2.700  0.900  0.900  peak   2910  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.039   ppm2  5.498   CV     1  
 
ASSI  { 2923} 
   (( resid 60 and name HN ))   
   (( resid 59 and name HB2 ))   
4.100  2.100  1.900  peak   2923  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.095   ppm2  2.301   CV     1  
 
ASSI  { 2924} 
   (( resid 64 and name HA ))   
   (( resid 59 and name HB2 ))   
3.400  1.400  1.400  peak   2924  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.039   ppm2  2.301   CV     1  
 
ASSI  { 2935} 
   (( resid 60 and name HA ))   
   (( resid 59 and name HB3 ))   
4.000  2.000  2.000  peak   2935  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.684   ppm2  2.136   CV     1  
 
ASSI  { 2942} 
   (( resid 60 and name HN ))   
   (( resid 59 and name HG2 ))   
3.400  1.400  1.400  peak   2942  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.095   ppm2  2.625   CV     1  
 
ASSI  { 2943} 
   (( resid 60 and name HA ))   
   (( resid 59 and name HG2 ))   
3.400  1.500  1.500  peak   2943  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.684   ppm2  2.625   CV     1  
 
ASSI  { 2944} 
   (( resid 60 and name HB3 ))   
   (( resid 59 and name HG2 ))   
5.100  3.300  0.900  peak   2944  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.922   ppm2  2.625   CV     1  
 
ASSI  { 2946} 
   (( resid 61 and name HA1 ))   
   (( resid 59 and name HG2 ))   
4.400  2.400  1.600  peak   2946  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.765   ppm2  2.625   CV     1  
 
ASSI  { 2947} 
   (( resid 61 and name HA2 ))   
   (( resid 59 and name HG2 ))   
4.400  2.400  1.600  peak   2947  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.107   ppm2  2.625   CV     1  
 
ASSI  { 2948} 
   (( resid 62 and name HN ))   
   (( resid 59 and name HG2 ))   
3.800  1.800  1.800  peak   2948  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.810   ppm2  2.625   CV     1  
 
ASSI  { 2949} 
   (( resid 63 and name HN ))   
   (( resid 59 and name HG2 ))   
3.900  1.900  1.900  peak   2949  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.016   ppm2  2.625   CV     1  
 
ASSI  { 2950} 
   (( resid 64 and name HA ))   
   (( resid 59 and name HG2 ))   
4.700  2.700  1.300  peak   2950  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.039   ppm2  2.625   CV     1  
 
ASSI  { 2951} 
   (( resid 64 and name HG ))   
   (( resid 59 and name HG2 ))   
6.000  4.500  0.000  peak   2951  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.905   ppm2  2.625   CV     1  
 
ASSI  { 2956} 
   (( resid 60 and name HN ))   
   (( resid 59 and name HE% ))   
4.200  2.300  1.800  peak   2956  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.095   ppm2  1.848   CV     1  
 
ASSI  { 2957} 
   (( resid 61 and name HN ))   
   (( resid 59 and name HE% ))   
3.600  1.600  1.600  peak   2957  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.042   ppm2  1.848   CV     1  
 
ASSI  { 2958} 
   (( resid 61 and name HA1 ))   
   (( resid 59 and name HE% ))   
4.400  2.400  1.600  peak   2958  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.765   ppm2  1.848   CV     1  
 
ASSI  { 2959} 
   (( resid 61 and name HA2 ))   
   (( resid 59 and name HE% ))   
4.800  2.800  1.200  peak   2959  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.107   ppm2  1.848   CV     1  
 
ASSI  { 2960} 
   (( resid 62 and name HN ))   
   (( resid 59 and name HE% ))   
4.100  2.100  1.900  peak   2960  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.810   ppm2  1.848   CV     1  
 
ASSI  { 2961} 
   (( resid 62 and name HA ))   
   (( resid 59 and name HE% ))   
3.800  1.800  1.800  peak   2961  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.913   ppm2  1.848   CV     1  
 
ASSI  { 2963} 
   (( resid 63 and name HA ))   
   (( resid 59 and name HE% ))   
4.100  2.100  1.900  peak   2963  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.185   ppm2  1.848   CV     1  
 
ASSI  { 2964} 
   (( resid 64 and name HG ))   
   (( resid 59 and name HE% ))   
5.400  3.700  0.600  peak   2964  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.905   ppm2  1.848   CV     1  
 
ASSI  { 2975} 
   (( resid 61 and name HN ))   
   (( resid 60 and name HN ))   
3.100  1.200  1.200  peak   2975  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.042   ppm2  9.095   CV     1  
 
ASSI  { 2976} 
   (( resid 61 and name HA1 ))   
   (( resid 60 and name HN ))   
3.700  1.700  1.700  peak   2976  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.765   ppm2  9.095   CV     1  
 
ASSI  { 2977} 
   (( resid 61 and name HA2 ))   
   (( resid 60 and name HN ))   
3.300  3.300  2.700  peak   2977  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.107   ppm2  9.095   CV     1  
 
ASSI  { 2979} 
   (( resid  and name  ))   
   (( resid 60 and name HN ))   
3.300  1.400  1.400  peak   2979  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  9.095   CV     1  
 
ASSI  { 2983} 
   (( resid 65 and name HB ))   
   (( resid 60 and name HN ))   
2.600  2.600  3.400  peak   2983  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.996   ppm2  9.095   CV     1  
 
ASSI  { 2991} 
   (( resid 61 and name HN ))   
   (( resid 60 and name HA ))   
2.700  0.900  0.900  peak   2991  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.042   ppm2  4.684   CV     1  
 
ASSI  { 2992} 
   (( resid 61 and name HA1 ))   
   (( resid 60 and name HA ))   
4.700  2.800  1.300  peak   2992  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.765   ppm2  4.684   CV     1  
 
ASSI  { 2993} 
   (( resid 61 and name HA2 ))   
   (( resid 60 and name HA ))   
4.400  2.400  1.600  peak   2993  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.107   ppm2  4.684   CV     1  
 
ASSI  { 2999} 
   (( resid 61 and name HN ))   
   (( resid 60 and name HB2 ))   
4.600  2.600  1.400  peak   2999  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.042   ppm2  2.055   CV     1  
 
ASSI  { 3000} 
   (( resid  and name  ))   
   (( resid 60 and name HB2 ))   
3.500  3.500  2.500  peak   3000  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  2.055   CV     1  
 
ASSI  { 3001} 
   (( resid 65 and name HB ))   
   (( resid 60 and name HB2 ))   
3.400  3.400  2.600  peak   3001  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.996   ppm2  2.055   CV     1  
 
ASSI  { 3008} 
   (( resid 61 and name HN ))   
   (( resid 60 and name HB3 ))   
4.600  2.600  1.400  peak   3008  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.042   ppm2  1.922   CV     1  
 
ASSI  { 3009} 
   (( resid 61 and name HA1 ))   
   (( resid 60 and name HB3 ))   
4.900  3.000  1.100  peak   3009  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.765   ppm2  1.922   CV     1  
 
ASSI  { 3010} 
   (( resid 61 and name HA2 ))   
   (( resid 60 and name HB3 ))   
4.000  2.000  2.000  peak   3010  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.107   ppm2  1.922   CV     1  
 
ASSI  { 3011} 
   (( resid 63 and name HN ))   
   (( resid 60 and name HB3 ))   
3.700  1.700  1.700  peak   3011  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.016   ppm2  1.922   CV     1  
 
ASSI  { 3012} 
   (( resid  and name  ))   
   (( resid 60 and name HB3 ))   
4.000  2.000  2.000  peak   3012  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  1.922   CV     1  
 
ASSI  { 3013} 
   (( resid 65 and name HN ))   
   (( resid 60 and name HB3 ))   
2.600  2.600  3.400  peak   3013  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.376   ppm2  1.922   CV     1  
 
ASSI  { 3025} 
   (( resid 62 and name HN ))   
   (( resid 61 and name HN ))   
2.800  1.000  1.000  peak   3025  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.810   ppm2  9.042   CV     1  
 
ASSI  { 3038} 
   (( resid 62 and name HN ))   
   (( resid 61 and name HA1 ))   
3.400  1.500  1.500  peak   3038  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.810   ppm2  3.765   CV     1  
 
ASSI  { 3039} 
   (( resid 62 and name HA ))   
   (( resid 61 and name HA1 ))   
3.800  1.800  1.800  peak   3039  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.913   ppm2  3.765   CV     1  
 
ASSI  { 3040} 
   (( resid 62 and name HB3 ))   
   (( resid 61 and name HA1 ))   
4.100  2.100  1.900  peak   3040  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.191   ppm2  3.765   CV     1  
 
ASSI  { 3041} 
   (( resid 63 and name HN ))   
   (( resid 61 and name HA1 ))   
3.800  1.800  1.800  peak   3041  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.016   ppm2  3.765   CV     1  
 
ASSI  { 3050} 
   (( resid 62 and name HN ))   
   (( resid 61 and name HA2 ))   
3.000  1.200  1.200  peak   3050  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.810   ppm2  4.107   CV     1  
 
ASSI  { 3051} 
   (( resid 62 and name HB3 ))   
   (( resid 61 and name HA2 ))   
4.100  2.100  1.900  peak   3051  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.191   ppm2  4.107   CV     1  
 
ASSI  { 3052} 
   (( resid 63 and name HN ))   
   (( resid 61 and name HA2 ))   
3.500  1.500  1.500  peak   3052  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.016   ppm2  4.107   CV     1  
 
ASSI  { 3062} 
   (( resid 63 and name HN ))   
   (( resid 62 and name HN ))   
2.700  0.900  0.900  peak   3062  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.016   ppm2  8.810   CV     1  
 
ASSI  { 3063} 
   (( resid  and name  ))   
   (( resid 62 and name HN ))   
3.600  1.700  1.700  peak   3063  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  8.810   CV     1  
 
ASSI  { 3072} 
   (( resid 63 and name HA ))   
   (( resid 62 and name HA ))   
3.300  1.300  1.300  peak   3072  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.185   ppm2  4.913   CV     1  
 
ASSI  { 3073} 
   (( resid 82 and name HA ))   
   (( resid 62 and name HA ))   
3.400  3.400  2.600  peak   3073  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.156   ppm2  4.913   CV     1  
 
ASSI  { 3076} 
   (( resid 83 and name HD1% ))   
   (( resid 62 and name HA ))   
4.500  2.500  1.500  peak   3076  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.157   ppm2  4.913   CV     1  
 
ASSI  { 3083} 
   (( resid 63 and name HN ))   
   (( resid 62 and name HB3 ))   
3.800  1.800  1.800  peak   3083  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.016   ppm2  3.191   CV     1  
 
ASSI  { 3088} 
   (( resid 63 and name HN ))   
   (( resid 62 and name HB2 ))   
3.600  1.600  1.600  peak   3088  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.016   ppm2  2.989   CV     1  
 
ASSI  { 3089} 
   (( resid 63 and name HA ))   
   (( resid 62 and name HB2 ))   
3.600  1.600  1.600  peak   3089  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.185   ppm2  2.989   CV     1  
 
ASSI  { 3091} 
   (( resid 83 and name HN ))   
   (( resid 62 and name HB2 ))   
3.300  1.400  1.400  peak   3091  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.595   ppm2  2.989   CV     1  
 
ASSI  { 3092} 
   (( resid 83 and name HB ))   
   (( resid 62 and name HB2 ))   
4.400  2.400  1.600  peak   3092  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.619   ppm2  2.989   CV     1  
 
ASSI  { 3108} 
   (( resid 64 and name HN ))   
   (( resid 63 and name HN ))   
3.000  1.100  1.100  peak   3108  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.812   ppm2  8.016   CV     1  
 
ASSI  { 3109} 
   (( resid 64 and name HA ))   
   (( resid 63 and name HN ))   
3.200  1.300  1.300  peak   3109  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.039   ppm2  8.016   CV     1  
 
ASSI  { 3110} 
   (( resid 64 and name HG ))   
   (( resid 63 and name HN ))   
4.400  2.400  1.600  peak   3110  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.905   ppm2  8.016   CV     1  
 
ASSI  { 3126} 
   (( resid 82 and name HN ))   
   (( resid 63 and name HA ))   
3.300  1.400  1.400  peak   3126  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.902   ppm2  5.185   CV     1  
 
ASSI  { 3128} 
   (( resid 82 and name HB3 ))   
   (( resid 63 and name HA ))   
4.100  2.100  1.900  peak   3128  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.982   ppm2  5.185   CV     1  
 
ASSI  { 3130} 
   (( resid 83 and name HD1% ))   
   (( resid 63 and name HA ))   
4.400  2.400  1.600  peak   3130  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.157   ppm2  5.185   CV     1  
 
ASSI  { 3178} 
   (( resid 65 and name HA ))   
   (( resid 64 and name HA ))   
3.600  1.600  1.600  peak   3178  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.863   ppm2  5.039   CV     1  
 
ASSI  { 3181} 
   (( resid 81 and name HN ))   
   (( resid 64 and name HA ))   
2.900  2.900  3.100  peak   3181  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.372   ppm2  5.039   CV     1  
 
ASSI  { 3243} 
   (( resid 81 and name HN ))   
   (( resid 65 and name HN ))   
2.700  2.700  3.300  peak   3243  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.372   ppm2  9.376   CV     1  
 
ASSI  { 3252} 
   (( resid 66 and name HA1 ))   
   (( resid 65 and name HA ))   
4.000  2.000  2.000  peak   3252  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.805   ppm2  4.863   CV     1  
 
ASSI  { 3253} 
   (( resid 66 and name HA2 ))   
   (( resid 65 and name HA ))   
4.600  2.600  1.400  peak   3253  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.434   ppm2  4.863   CV     1  
 
ASSI  { 3268} 
   (( resid 66 and name HA1 ))   
   (( resid 65 and name HB ))   
3.000  3.000  3.000  peak   3268  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.805   ppm2  1.996   CV     1  
 
ASSI  { 3294} 
   (( resid 67 and name HN ))   
   (( resid 66 and name HN ))   
3.000  1.100  1.100  peak   3294  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.491   ppm2  10.13   CV     1  
 
ASSI  { 3295} 
   (( resid 67 and name HA ))   
   (( resid 66 and name HN ))   
2.900  2.900  3.100  peak   3295  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.554   ppm2  10.13   CV     1  
 
ASSI  { 3296} 
   (( resid 67 and name HB2 ))   
   (( resid 66 and name HN ))   
3.400  3.400  2.600  peak   3296  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.475   ppm2  10.13   CV     1  
 
ASSI  { 3297} 
   (( resid 67 and name HB3 ))   
   (( resid 66 and name HN ))   
3.800  1.800  1.800  peak   3297  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.600   ppm2  10.13   CV     1  
 
ASSI  { 3300} 
   (( resid 80 and name HA ))   
   (( resid 66 and name HN ))   
3.000  1.200  1.200  peak   3300  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.361   ppm2  10.13   CV     1  
 
ASSI  { 3311} 
   (( resid 67 and name HN ))   
   (( resid 66 and name HA1 ))   
3.400  1.400  1.400  peak   3311  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.491   ppm2  1.805   CV     1  
 
ASSI  { 3312} 
   (( resid 67 and name HA ))   
   (( resid 66 and name HA1 ))   
3.700  1.700  1.700  peak   3312  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.554   ppm2  1.805   CV     1  
 
ASSI  { 3313} 
   (( resid 67 and name HB2 ))   
   (( resid 66 and name HA1 ))   
4.000  2.000  2.000  peak   3313  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.475   ppm2  1.805   CV     1  
 
ASSI  { 3314} 
   (( resid 67 and name HB3 ))   
   (( resid 66 and name HA1 ))   
4.100  2.100  1.900  peak   3314  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.600   ppm2  1.805   CV     1  
 
ASSI  { 3324} 
   (( resid 67 and name HN ))   
   (( resid 66 and name HA2 ))   
3.400  1.400  1.400  peak   3324  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.491   ppm2  4.434   CV     1  
 
ASSI  { 3325} 
   (( resid 67 and name HA ))   
   (( resid 66 and name HA2 ))   
4.100  2.100  1.900  peak   3325  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.554   ppm2  4.434   CV     1  
 
ASSI  { 3326} 
   (( resid 67 and name HB3 ))   
   (( resid 66 and name HA2 ))   
5.100  3.300  0.900  peak   3326  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.600   ppm2  4.434   CV     1  
 
ASSI  { 3340} 
   (( resid 68 and name HN ))   
   (( resid 67 and name HN ))   
3.100  1.200  1.200  peak   3340  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.457   ppm2  7.491   CV     1  
 
ASSI  { 3342} 
   (( resid 78 and name HG2% ))   
   (( resid 67 and name HN ))   
4.200  2.200  1.800  peak   3342  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.928   ppm2  7.491   CV     1  
 
ASSI  { 3353} 
   (( resid 68 and name HA ))   
   (( resid 67 and name HA ))   
3.600  1.600  1.600  peak   3353  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.443   ppm2  4.554   CV     1  
 
ASSI  { 3354} 
   (( resid 68 and name HB2 ))   
   (( resid 67 and name HA ))   
3.800  1.800  1.800  peak   3354  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.003   ppm2  4.554   CV     1  
 
ASSI  { 3358} 
   (( resid 78 and name HD1% ))   
   (( resid 67 and name HA ))   
4.800  2.800  1.200  peak   3358  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.886   ppm2  4.554   CV     1  
 
ASSI  { 3359} 
   (( resid 79 and name HN ))   
   (( resid 67 and name HA ))   
3.000  1.200  1.200  peak   3359  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.362   ppm2  4.554   CV     1  
 
ASSI  { 3366} 
   (( resid 68 and name HN ))   
   (( resid 67 and name HB2 ))   
4.300  2.300  1.700  peak   3366  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.457   ppm2  1.475   CV     1  
 
ASSI  { 3369} 
   (( resid 78 and name HG2% ))   
   (( resid 67 and name HB2 ))   
5.100  3.200  0.900  peak   3369  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.928   ppm2  1.475   CV     1  
 
ASSI  { 3370} 
   (( resid 78 and name HD1% ))   
   (( resid 67 and name HB2 ))   
5.300  3.500  0.700  peak   3370  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.886   ppm2  1.475   CV     1  
 
ASSI  { 3381} 
   (( resid 68 and name HN ))   
   (( resid 67 and name HB3 ))   
4.300  2.300  1.700  peak   3381  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.457   ppm2  1.600   CV     1  
 
ASSI  { 3382} 
   (( resid 78 and name HG2% ))   
   (( resid 67 and name HB3 ))   
4.100  2.100  1.900  peak   3382  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.928   ppm2  1.600   CV     1  
 
ASSI  { 3393} 
   (( resid 69 and name HN ))   
   (( resid 68 and name HN ))   
2.900  2.900  3.100  peak   3393  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.206   ppm2  8.457   CV     1  
 
ASSI  { 3394} 
   (( resid 69 and name HA ))   
   (( resid 68 and name HN ))   
3.000  3.000  3.000  peak   3394  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.099   ppm2  8.457   CV     1  
 
ASSI  { 3402} 
   (( resid 78 and name HD1% ))   
   (( resid 68 and name HN ))   
4.000  2.000  2.000  peak   3402  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.886   ppm2  8.457   CV     1  
 
ASSI  { 3403} 
   (( resid 79 and name HN ))   
   (( resid 68 and name HN ))   
3.300  3.300  2.700  peak   3403  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.362   ppm2  8.457   CV     1  
 
ASSI  { 3419} 
   (( resid 69 and name HN ))   
   (( resid 68 and name HA ))   
2.600  0.800  0.800  peak   3419  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.206   ppm2  5.443   CV     1  
 
ASSI  { 3420} 
   (( resid 69 and name HA ))   
   (( resid 68 and name HA ))   
3.400  1.400  1.400  peak   3420  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.099   ppm2  5.443   CV     1  
 
ASSI  { 3422} 
   (( resid 78 and name HA ))   
   (( resid 68 and name HA ))   
2.400  2.400  3.600  peak   3422  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.041   ppm2  5.443   CV     1  
 
ASSI  { 3433} 
   (( resid 69 and name HN ))   
   (( resid 68 and name HB2 ))   
3.700  1.700  1.700  peak   3433  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.206   ppm2  3.003   CV     1  
 
ASSI  { 3434} 
   (( resid 69 and name HA ))   
   (( resid 68 and name HB2 ))   
3.800  1.800  1.800  peak   3434  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.099   ppm2  3.003   CV     1  
 
ASSI  { 3435} 
   (( resid 77 and name HN ))   
   (( resid 68 and name HB2 ))   
3.000  1.100  1.100  peak   3435  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.726   ppm2  3.003   CV     1  
 
ASSI  { 3450} 
   (( resid 69 and name HN ))   
   (( resid 68 and name HB3 ))   
3.000  1.100  1.100  peak   3450  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.206   ppm2  2.859   CV     1  
 
ASSI  { 3451} 
   (( resid 69 and name HA ))   
   (( resid 68 and name HB3 ))   
3.500  1.500  1.500  peak   3451  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.099   ppm2  2.859   CV     1  
 
ASSI  { 3453} 
   (( resid 77 and name HN ))   
   (( resid 68 and name HB3 ))   
3.100  1.200  1.200  peak   3453  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.726   ppm2  2.859   CV     1  
 
ASSI  { 3454} 
   (( resid 78 and name HA ))   
   (( resid 68 and name HB3 ))   
3.900  1.900  1.900  peak   3454  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.041   ppm2  2.859   CV     1  
 
ASSI  { 3469} 
   (( resid 70 and name HN ))   
   (( resid 69 and name HN ))   
2.700  2.700  3.300  peak   3469  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.962   ppm2  9.206   CV     1  
 
ASSI  { 3473} 
   (( resid 77 and name HN ))   
   (( resid 69 and name HN ))   
2.500  2.500  3.500  peak   3473  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.726   ppm2  9.206   CV     1  
 
ASSI  { 3487} 
   (( resid 76 and name HN ))   
   (( resid 69 and name HA ))   
3.500  1.500  1.500  peak   3487  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.486   ppm2  5.099   CV     1  
 
ASSI  { 3489} 
   (( resid 76 and name HB3 ))   
   (( resid 69 and name HA ))   
4.700  2.800  1.300  peak   3489  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.071   ppm2  5.099   CV     1  
 
ASSI  { 3491} 
   (( resid 77 and name HA ))   
   (( resid 69 and name HA ))   
3.800  1.800  1.800  peak   3491  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.116   ppm2  5.099   CV     1  
 
ASSI  { 3539} 
   (( resid 71 and name HA ))   
   (( resid 70 and name HA ))   
4.100  2.100  1.900  peak   3539  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.712   ppm2  4.528   CV     1  
 
ASSI  { 3542} 
   (( resid 72 and name HB3 ))   
   (( resid 70 and name HA ))   
4.300  2.300  1.700  peak   3542  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.773   ppm2  4.528   CV     1  
 
ASSI  { 3544} 
   (( resid 76 and name HN ))   
   (( resid 70 and name HA ))   
2.300  2.300  3.700  peak   3544  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.486   ppm2  4.528   CV     1  
 
ASSI  { 3556} 
   (( resid 72 and name HB3 ))   
   (( resid 71 and name HN ))   
4.300  2.300  1.700  peak   3556  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.773   ppm2  8.277   CV     1  
 
ASSI  { 3558} 
   (( resid 74 and name HN ))   
   (( resid 71 and name HN ))   
3.100  3.100  2.900  peak   3558  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.951   ppm2  8.277   CV     1  
 
ASSI  { 3565} 
   (( resid 72 and name HA ))   
   (( resid 71 and name HA ))   
3.800  1.800  1.800  peak   3565  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.311   ppm2  3.712   CV     1  
 
ASSI  { 3567} 
   (( resid 74 and name HN ))   
   (( resid 71 and name HA ))   
3.600  1.600  1.600  peak   3567  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.951   ppm2  3.712   CV     1  
 
ASSI  { 3569} 
   (( resid 75 and name HN ))   
   (( resid 71 and name HA ))   
3.100  1.200  1.200  peak   3569  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.164   ppm2  3.712   CV     1  
 
ASSI  { 3576} 
   (( resid 72 and name HN ))   
   (( resid 71 and name HB ))   
3.300  1.400  1.400  peak   3576  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.015   ppm2  1.993   CV     1  
 
ASSI  { 3597} 
   (( resid 73 and name HN ))   
   (( resid 72 and name HN ))   
2.500  0.800  0.800  peak   3597  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.442   ppm2  9.015   CV     1  
 
ASSI  { 3598} 
   (( resid 73 and name HB3 ))   
   (( resid 72 and name HN ))   
3.600  3.600  2.400  peak   3598  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.267   ppm2  9.015   CV     1  
 
ASSI  { 3600} 
   (( resid 75 and name HN ))   
   (( resid 72 and name HN ))   
2.800  2.800  3.200  peak   3600  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.164   ppm2  9.015   CV     1  
 
ASSI  { 3608} 
   (( resid 73 and name HA ))   
   (( resid 72 and name HA ))   
3.400  1.500  1.500  peak   3608  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.865   ppm2  4.311   CV     1  
 
ASSI  { 3609} 
   (( resid 74 and name HN ))   
   (( resid 72 and name HA ))   
2.400  2.400  3.600  peak   3609  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.951   ppm2  4.311   CV     1  
 
ASSI  { 3620} 
   (( resid 73 and name HN ))   
   (( resid 72 and name HB3 ))   
3.200  1.300  1.300  peak   3620  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.442   ppm2  1.773   CV     1  
 
ASSI  { 3627} 
   (( resid 73 and name HN ))   
   (( resid 72 and name HB2 ))   
4.400  2.400  1.600  peak   3627  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.442   ppm2  1.513   CV     1  
 
ASSI  { 3628} 
   (( resid 73 and name HA ))   
   (( resid 72 and name HB2 ))   
3.100  3.100  2.900  peak   3628  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.865   ppm2  1.513   CV     1  
 
ASSI  { 3629} 
   (( resid 73 and name HB3 ))   
   (( resid 72 and name HB2 ))   
3.300  3.300  2.700  peak   3629  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.267   ppm2  1.513   CV     1  
 
ASSI  { 3630} 
   (( resid 74 and name HN ))   
   (( resid 72 and name HB2 ))   
2.800  2.800  3.200  peak   3630  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.951   ppm2  1.513   CV     1  
 
ASSI  { 3644} 
   (( resid 74 and name HA1 ))   
   (( resid 73 and name HN ))   
4.300  2.300  1.700  peak   3644  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.142   ppm2  8.442   CV     1  
 
ASSI  { 3645} 
   (( resid 74 and name HA2 ))   
   (( resid 73 and name HN ))   
3.900  1.900  1.900  peak   3645  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.956   ppm2  8.442   CV     1  
 
ASSI  { 3656} 
   (( resid 74 and name HA2 ))   
   (( resid 73 and name HA ))   
4.100  2.100  1.900  peak   3656  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.956   ppm2  4.865   CV     1  
 
ASSI  { 3657} 
   (( resid 75 and name HN ))   
   (( resid 73 and name HA ))   
3.300  1.300  1.300  peak   3657  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.164   ppm2  4.865   CV     1  
 
ASSI  { 3665} 
   (( resid 74 and name HN ))   
   (( resid 73 and name HB3 ))   
3.200  1.300  1.300  peak   3665  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.951   ppm2  3.267   CV     1  
 
ASSI  { 3666} 
   (( resid 75 and name HN ))   
   (( resid 73 and name HB3 ))   
2.500  2.500  3.500  peak   3666  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.164   ppm2  3.267   CV     1  
 
ASSI  { 3674} 
   (( resid 74 and name HN ))   
   (( resid 73 and name HB2 ))   
3.800  1.800  1.800  peak   3674  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.951   ppm2  2.683   CV     1  
 
ASSI  { 3675} 
   (( resid 74 and name HA2 ))   
   (( resid 73 and name HB2 ))   
2.800  2.800  3.200  peak   3675  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.956   ppm2  2.683   CV     1  
 
ASSI  { 3676} 
   (( resid 75 and name HN ))   
   (( resid 73 and name HB2 ))   
2.600  2.600  3.400  peak   3676  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.164   ppm2  2.683   CV     1  
 
ASSI  { 3697} 
   (( resid 76 and name HN ))   
   (( resid 74 and name HN ))   
3.100  3.100  2.900  peak   3697  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.486   ppm2  7.951   CV     1  
 
ASSI  { 3703} 
   (( resid 75 and name HN ))   
   (( resid 74 and name HA1 ))   
3.600  1.600  1.600  peak   3703  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.164   ppm2  4.142   CV     1  
 
ASSI  { 3704} 
   (( resid 75 and name HA ))   
   (( resid 74 and name HA1 ))   
4.300  2.300  1.700  peak   3704  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.323   ppm2  4.142   CV     1  
 
ASSI  { 3711} 
   (( resid 75 and name HN ))   
   (( resid 74 and name HA2 ))   
3.000  1.200  1.200  peak   3711  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.164   ppm2  3.956   CV     1  
 
ASSI  { 3712} 
   (( resid 75 and name HA ))   
   (( resid 74 and name HA2 ))   
4.100  2.100  1.900  peak   3712  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.323   ppm2  3.956   CV     1  
 
ASSI  { 3728} 
   (( resid 76 and name HN ))   
   (( resid 75 and name HN ))   
2.700  0.900  0.900  peak   3728  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.486   ppm2  8.164   CV     1  
 
ASSI  { 3729} 
   (( resid 94 and name HE% ))   
   (( resid 75 and name HN ))   
2.200  2.200  3.800  peak   3729  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.566   ppm2  8.164   CV     1  
 
ASSI  { 3766} 
   (( resid 76 and name HN ))   
   (( resid 75 and name HD2 ))   
2.700  2.700  3.300  peak   3766  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.486   ppm2  1.955   CV     1  
 
ASSI  { 3784} 
   (( resid 77 and name HN ))   
   (( resid 76 and name HN ))   
3.200  1.300  1.300  peak   3784  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.726   ppm2  8.486   CV     1  
 
ASSI  { 3785} 
   (( resid 77 and name HA ))   
   (( resid 76 and name HN ))   
3.000  3.000  3.000  peak   3785  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.116   ppm2  8.486   CV     1  
 
ASSI  { 3786} 
   (( resid 94 and name HD% ))   
   (( resid 76 and name HN ))   
2.700  2.700  3.300  peak   3786  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.331   ppm2  8.486   CV     1  
 
ASSI  { 3787} 
   (( resid 94 and name HE% ))   
   (( resid 76 and name HN ))   
2.700  0.900  0.900  peak   3787  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.566   ppm2  8.486   CV     1  
 
ASSI  { 3797} 
   (( resid 77 and name HA ))   
   (( resid 76 and name HA ))   
3.600  1.700  1.700  peak   3797  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.116   ppm2  4.963   CV     1  
 
ASSI  { 3798} 
   (( resid 78 and name HN ))   
   (( resid 76 and name HA ))   
3.600  3.600  2.400  peak   3798  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.288   ppm2  4.963   CV     1  
 
ASSI  { 3799} 
   (( resid 78 and name HD1% ))   
   (( resid 76 and name HA ))   
4.400  2.400  1.600  peak   3799  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.886   ppm2  4.963   CV     1  
 
ASSI  { 3800} 
   (( resid 94 and name HD% ))   
   (( resid 76 and name HA ))   
2.900  2.900  3.100  peak   3800  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.331   ppm2  4.963   CV     1  
 
ASSI  { 3806} 
   (( resid 77 and name HN ))   
   (( resid 76 and name HB3 ))   
3.500  1.600  1.600  peak   3806  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.726   ppm2  2.071   CV     1  
 
ASSI  { 3807} 
   (( resid 77 and name HA ))   
   (( resid 76 and name HB3 ))   
3.600  1.600  1.600  peak   3807  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.116   ppm2  2.071   CV     1  
 
ASSI  { 3809} 
   (( resid 78 and name HD1% ))   
   (( resid 76 and name HB3 ))   
4.600  2.600  1.400  peak   3809  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.886   ppm2  2.071   CV     1  
 
ASSI  { 3811} 
   (( resid 94 and name HA ))   
   (( resid 76 and name HB3 ))   
3.900  1.900  1.900  peak   3811  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.996   ppm2  2.071   CV     1  
 
ASSI  { 3812} 
   (( resid 94 and name HD% ))   
   (( resid 76 and name HB3 ))   
3.200  1.300  1.300  peak   3812  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.331   ppm2  2.071   CV     1  
 
ASSI  { 3813} 
   (( resid 94 and name HE% ))   
   (( resid 76 and name HB3 ))   
3.600  1.600  1.600  peak   3813  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.566   ppm2  2.071   CV     1  
 
ASSI  { 3814} 
   (( resid 95 and name HN ))   
   (( resid 76 and name HB3 ))   
3.300  1.400  1.400  peak   3814  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.525   ppm2  2.071   CV     1  
 
ASSI  { 3815} 
   (( resid 95 and name HA ))   
   (( resid 76 and name HB3 ))   
4.600  2.600  1.400  peak   3815  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.660   ppm2  2.071   CV     1  
 
ASSI  { 3816} 
   (( resid 95 and name HG2 ))   
   (( resid 76 and name HB3 ))   
4.900  3.000  1.100  peak   3816  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.359   ppm2  2.071   CV     1  
 
ASSI  { 3817} 
   (( resid 96 and name HN ))   
   (( resid 76 and name HB3 ))   
2.600  2.600  3.400  peak   3817  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.580   ppm2  2.071   CV     1  
 
ASSI  { 3833} 
   (( resid 78 and name HN ))   
   (( resid 77 and name HN ))   
2.900  1.100  1.100  peak   3833  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.288   ppm2  8.726   CV     1  
 
ASSI  { 3834} 
   (( resid 78 and name HA ))   
   (( resid 77 and name HN ))   
2.900  2.900  3.100  peak   3834  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.041   ppm2  8.726   CV     1  
 
ASSI  { 3835} 
   (( resid 94 and name HD% ))   
   (( resid 77 and name HN ))   
2.500  2.500  3.500  peak   3835  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.331   ppm2  8.726   CV     1  
 
ASSI  { 3849} 
   (( resid 92 and name HD% ))   
   (( resid 77 and name HA ))   
3.300  3.300  2.700  peak   3849  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.152   ppm2  5.116   CV     1  
 
ASSI  { 3851} 
   (( resid 94 and name HB3 ))   
   (( resid 77 and name HA ))   
4.300  2.300  1.700  peak   3851  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.998   ppm2  5.116   CV     1  
 
ASSI  { 3853} 
   (( resid 94 and name HD% ))   
   (( resid 77 and name HA ))   
2.800  1.000  1.000  peak   3853  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.331   ppm2  5.116   CV     1  
 
ASSI  { 3860} 
   (( resid 78 and name HA ))   
   (( resid 77 and name HG ))   
4.000  2.000  2.000  peak   3860  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.041   ppm2  1.622   CV     1  
 
ASSI  { 3861} 
   (( resid 92 and name HA ))   
   (( resid 77 and name HG ))   
3.900  1.900  1.900  peak   3861  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.698   ppm2  1.622   CV     1  
 
ASSI  { 3863} 
   (( resid 92 and name HB2 ))   
   (( resid 77 and name HG ))   
5.000  3.100  1.000  peak   3863  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.011   ppm2  1.622   CV     1  
 
ASSI  { 3864} 
   (( resid 92 and name HD% ))   
   (( resid 77 and name HG ))   
3.500  1.500  1.500  peak   3864  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.152   ppm2  1.622   CV     1  
 
ASSI  { 3865} 
   (( resid 92 and name HE% ))   
   (( resid 77 and name HG ))   
2.900  2.900  3.100  peak   3865  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.619   ppm2  1.622   CV     1  
 
ASSI  { 3872} 
   (( resid 92 and name HB2 ))   
   (( resid 77 and name HD1% ))   
5.700  4.000  0.300  peak   3872  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.011   ppm2  0.588   CV     1  
 
ASSI  { 3880} 
   (( resid 92 and name HB2 ))   
   (( resid 77 and name HD2% ))   
6.000  4.600  0.000  peak   3880  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.011   ppm2  0.712   CV     1  
 
ASSI  { 3881} 
   (( resid 92 and name HD% ))   
   (( resid 77 and name HD2% ))   
3.900  1.900  1.900  peak   3881  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.152   ppm2  0.712   CV     1  
 
ASSI  { 3882} 
   (( resid 92 and name HE% ))   
   (( resid 77 and name HD2% ))   
4.400  2.500  1.600  peak   3882  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.619   ppm2  0.712   CV     1  
 
ASSI  { 3896} 
   (( resid 92 and name HA ))   
   (( resid 78 and name HN ))   
3.100  3.100  2.900  peak   3896  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.698   ppm2  8.288   CV     1  
 
ASSI  { 3897} 
   (( resid 92 and name HB2 ))   
   (( resid 78 and name HN ))   
3.600  1.600  1.600  peak   3897  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.011   ppm2  8.288   CV     1  
 
ASSI  { 3902} 
   (( resid 94 and name HB3 ))   
   (( resid 78 and name HN ))   
4.100  2.100  1.900  peak   3902  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.998   ppm2  8.288   CV     1  
 
ASSI  { 3903} 
   (( resid 94 and name HD% ))   
   (( resid 78 and name HN ))   
2.900  2.900  3.100  peak   3903  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.331   ppm2  8.288   CV     1  
 
ASSI  { 3919} 
   (( resid 79 and name HA ))   
   (( resid 78 and name HA ))   
3.500  1.500  1.500  peak   3919  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.624   ppm2  5.041   CV     1  
 
ASSI  { 3921} 
   (( resid 93 and name HN ))   
   (( resid 78 and name HA ))   
3.100  1.200  1.200  peak   3921  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.520   ppm2  5.041   CV     1  
 
ASSI  { 3922} 
   (( resid 93 and name HB ))   
   (( resid 78 and name HA ))   
4.200  2.200  1.800  peak   3922  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.030   ppm2  5.041   CV     1  
 
ASSI  { 3933} 
   (( resid 79 and name HA ))   
   (( resid 78 and name HB ))   
4.100  2.100  1.900  peak   3933  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.624   ppm2  1.908   CV     1  
 
ASSI  { 3936} 
   (( resid 93 and name HN ))   
   (( resid 78 and name HB ))   
3.200  1.300  1.300  peak   3936  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.520   ppm2  1.908   CV     1  
 
ASSI  { 3937} 
   (( resid 93 and name HA ))   
   (( resid 78 and name HB ))   
4.000  2.000  2.000  peak   3937  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.332   ppm2  1.908   CV     1  
 
ASSI  { 3939} 
   (( resid 93 and name HG2% ))   
   (( resid 78 and name HB ))   
5.300  3.500  0.700  peak   3939  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.141   ppm2  1.908   CV     1  
 
ASSI  { 3940} 
   (( resid 94 and name HN ))   
   (( resid 78 and name HB ))   
3.700  1.700  1.700  peak   3940  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.439   ppm2  1.908   CV     1  
 
ASSI  { 3941} 
   (( resid 94 and name HA ))   
   (( resid 78 and name HB ))   
3.500  1.500  1.500  peak   3941  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.996   ppm2  1.908   CV     1  
 
ASSI  { 3942} 
   (( resid 94 and name HB3 ))   
   (( resid 78 and name HB ))   
4.800  2.800  1.200  peak   3942  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.998   ppm2  1.908   CV     1  
 
ASSI  { 3954} 
   (( resid 79 and name HN ))   
   (( resid 78 and name HG2% ))   
3.600  1.600  1.600  peak   3954  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.362   ppm2  0.928   CV     1  
 
ASSI  { 3955} 
   (( resid 80 and name HN ))   
   (( resid 78 and name HG2% ))   
4.100  2.100  1.900  peak   3955  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.079   ppm2  0.928   CV     1  
 
ASSI  { 3957} 
   (( resid 93 and name HN ))   
   (( resid 78 and name HG2% ))   
3.800  1.800  1.800  peak   3957  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.520   ppm2  0.928   CV     1  
 
ASSI  { 3958} 
   (( resid 93 and name HB ))   
   (( resid 78 and name HG2% ))   
4.200  2.200  1.800  peak   3958  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.030   ppm2  0.928   CV     1  
 
ASSI  { 3959} 
   (( resid 93 and name HG2% ))   
   (( resid 78 and name HG2% ))   
6.000  4.600  0.000  peak   3959  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.141   ppm2  0.928   CV     1  
 
ASSI  { 3971} 
   (( resid 93 and name HG2% ))   
   (( resid 78 and name HD1% ))   
5.800  4.200  0.200  peak   3971  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.141   ppm2  0.886   CV     1  
 
ASSI  { 3983} 
   (( resid 80 and name HN ))   
   (( resid 79 and name HN ))   
3.000  1.100  1.100  peak   3983  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.079   ppm2  9.362   CV     1  
 
ASSI  { 3986} 
   (( resid 93 and name HN ))   
   (( resid 79 and name HN ))   
2.800  2.800  3.200  peak   3986  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.520   ppm2  9.362   CV     1  
 
ASSI  { 3987} 
   (( resid 93 and name HB ))   
   (( resid 79 and name HN ))   
3.800  1.800  1.800  peak   3987  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.030   ppm2  9.362   CV     1  
 
ASSI  { 3993} 
   (( resid 80 and name HN ))   
   (( resid 79 and name HA ))   
2.600  0.800  0.800  peak   3993  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.079   ppm2  5.624   CV     1  
 
ASSI  { 3996} 
   (( resid 91 and name HN ))   
   (( resid 79 and name HA ))   
3.100  1.200  1.200  peak   3996  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.407   ppm2  5.624   CV     1  
 
ASSI  { 3997} 
   (( resid 91 and name HA ))   
   (( resid 79 and name HA ))   
3.400  3.400  2.600  peak   3997  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.347   ppm2  5.624   CV     1  
 
ASSI  { 3998} 
   (( resid 91 and name HB ))   
   (( resid 79 and name HA ))   
3.500  1.500  1.500  peak   3998  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.031   ppm2  5.624   CV     1  
 
ASSI  { 4001} 
   (( resid 92 and name HB3 ))   
   (( resid 79 and name HA ))   
4.300  2.300  1.700  peak   4001  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.216   ppm2  5.624   CV     1  
 
ASSI  { 4002} 
   (( resid 92 and name HB2 ))   
   (( resid 79 and name HA ))   
4.500  2.600  1.500  peak   4002  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.011   ppm2  5.624   CV     1  
 
ASSI  { 4003} 
   (( resid 92 and name HD% ))   
   (( resid 79 and name HA ))   
3.400  1.400  1.400  peak   4003  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.152   ppm2  5.624   CV     1  
 
ASSI  { 4005} 
   (( resid 93 and name HB ))   
   (( resid 79 and name HA ))   
3.600  1.600  1.600  peak   4005  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.030   ppm2  5.624   CV     1  
 
ASSI  { 4025} 
   (( resid 81 and name HN ))   
   (( resid 80 and name HN ))   
3.000  3.000  3.000  peak   4025  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.372   ppm2  9.079   CV     1  
 
ASSI  { 4045} 
   (( resid 81 and name HA ))   
   (( resid 80 and name HA ))   
3.600  1.600  1.600  peak   4045  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.272   ppm2  5.361   CV     1  
 
ASSI  { 4055} 
   (( resid 91 and name HN ))   
   (( resid 80 and name HB ))   
3.300  1.400  1.400  peak   4055  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.407   ppm2  2.193   CV     1  
 
ASSI  { 4059} 
   (( resid 93 and name HB ))   
   (( resid 80 and name HB ))   
3.100  3.100  2.900  peak   4059  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.030   ppm2  2.193   CV     1  
 
ASSI  { 4091} 
   (( resid 82 and name HN ))   
   (( resid 81 and name HN ))   
3.000  3.000  3.000  peak   4091  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.902   ppm2  9.372   CV     1  
 
ASSI  { 4092} 
   (( resid 82 and name HA ))   
   (( resid 81 and name HN ))   
3.000  3.000  3.000  peak   4092  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.156   ppm2  9.372   CV     1  
 
ASSI  { 4102} 
   (( resid  and name  ))   
   (( resid 81 and name HA ))   
6.000  6.000  0.000  peak   4102  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  5.272   CV     1  
 
ASSI  { 4114} 
   (( resid 83 and name HA ))   
   (( resid 82 and name HN ))   
2.900  2.900  3.100  peak   4114  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.694   ppm2  8.902   CV     1  
 
ASSI  { 4115} 
   (( resid 83 and name HD1% ))   
   (( resid 82 and name HN ))   
5.300  3.500  0.700  peak   4115  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.157   ppm2  8.902   CV     1  
 
ASSI  { 4116} 
   (( resid 84 and name HN ))   
   (( resid 82 and name HN ))   
3.000  3.000  3.000  peak   4116  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.967   ppm2  8.902   CV     1  
 
ASSI  { 4118} 
   (( resid  and name  ))   
   (( resid 82 and name HN ))   
6.000  5.300  0.000  peak   4118  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  8.902   CV     1  
 
ASSI  { 4120} 
   (( resid 89 and name HB ))   
   (( resid 82 and name HN ))   
3.300  1.300  1.300  peak   4120  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.983   ppm2  8.902   CV     1  
 
ASSI  { 4136} 
   (( resid 83 and name HD1% ))   
   (( resid 82 and name HA ))   
6.000  4.800  0.000  peak   4136  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.157   ppm2  5.156   CV     1  
 
ASSI  { 4137} 
   (( resid  and name  ))   
   (( resid 82 and name HA ))   
4.700  4.700  1.300  peak   4137  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  5.156   CV     1  
 
ASSI  { 4143} 
   (( resid 83 and name HN ))   
   (( resid 82 and name HB3 ))   
4.300  2.400  1.700  peak   4143  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.595   ppm2  1.982   CV     1  
 
ASSI  { 4144} 
   (( resid 83 and name HA ))   
   (( resid 82 and name HB3 ))   
2.900  2.900  3.100  peak   4144  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.694   ppm2  1.982   CV     1  
 
ASSI  { 4145} 
   (( resid 83 and name HB ))   
   (( resid 82 and name HB3 ))   
3.500  3.500  2.500  peak   4145  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.619   ppm2  1.982   CV     1  
 
ASSI  { 4146} 
   (( resid 84 and name HN ))   
   (( resid 82 and name HB3 ))   
2.600  2.600  3.400  peak   4146  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.967   ppm2  1.982   CV     1  
 
ASSI  { 4147} 
   (( resid 84 and name HA ))   
   (( resid 82 and name HB3 ))   
2.900  2.900  3.100  peak   4147  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.689   ppm2  1.982   CV     1  
 
ASSI  { 4159} 
   (( resid 84 and name HN ))   
   (( resid 83 and name HN ))   
3.200  1.300  1.300  peak   4159  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.967   ppm2  8.595   CV     1  
 
ASSI  { 4160} 
   (( resid  and name  ))   
   (( resid 83 and name HN ))   
4.300  4.300  1.700  peak   4160  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  8.595   CV     1  
 
ASSI  { 4171} 
   (( resid 84 and name HB3 ))   
   (( resid 83 and name HA ))   
4.600  2.700  1.400  peak   4171  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.845   ppm2  4.694   CV     1  
 
ASSI  { 4172} 
   (( resid 84 and name HB2 ))   
   (( resid 83 and name HA ))   
4.300  2.300  1.700  peak   4172  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.568   ppm2  4.694   CV     1  
 
ASSI  { 4176} 
   (( resid 88 and name HN ))   
   (( resid 83 and name HA ))   
3.200  3.200  2.800  peak   4176  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.662   ppm2  4.694   CV     1  
 
ASSI  { 4179} 
   (( resid  and name  ))   
   (( resid 83 and name HA ))   
6.000  6.000  0.000  peak   4179  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  4.694   CV     1  
 
ASSI  { 4180} 
   (( resid 89 and name HN ))   
   (( resid 83 and name HA ))   
2.900  2.900  3.100  peak   4180  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.536   ppm2  4.694   CV     1  
 
ASSI  { 4190} 
   (( resid 85 and name HN ))   
   (( resid 83 and name HB ))   
2.700  2.700  3.300  peak   4190  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.130   ppm2  1.619   CV     1  
 
ASSI  { 4191} 
   (( resid 87 and name HN ))   
   (( resid 83 and name HB ))   
2.800  2.800  3.200  peak   4191  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.312   ppm2  1.619   CV     1  
 
ASSI  { 4215} 
   (( resid 84 and name HN ))   
   (( resid 83 and name HD1% ))   
6.000  5.800  0.000  peak   4215  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.967   ppm2  0.157   CV     1  
 
ASSI  { 4216} 
   (( resid 88 and name HA ))   
   (( resid 83 and name HD1% ))   
5.700  4.100  0.300  peak   4216  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.725   ppm2  0.157   CV     1  
 
ASSI  { 4217} 
   (( resid 88 and name HG ))   
   (( resid 83 and name HD1% ))   
6.000  6.000  0.000  peak   4217  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.877   ppm2  0.157   CV     1  
 
ASSI  { 4218} 
   (( resid  and name  ))   
   (( resid 83 and name HD1% ))   
6.000  6.000  0.000  peak   4218  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  0.157   CV     1  
 
ASSI  { 4232} 
   (( resid 88 and name HN ))   
   (( resid 84 and name HN ))   
2.900  2.900  3.100  peak   4232  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.662   ppm2  8.967   CV     1  
 
ASSI  { 4233} 
   (( resid 88 and name HA ))   
   (( resid 84 and name HN ))   
3.300  1.300  1.300  peak   4233  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.725   ppm2  8.967   CV     1  
 
ASSI  { 4235} 
   (( resid  and name  ))   
   (( resid 84 and name HN ))   
6.000  6.000  0.000  peak   4235  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  8.967   CV     1  
 
ASSI  { 4236} 
   (( resid 89 and name HN ))   
   (( resid 84 and name HN ))   
3.000  3.000  3.000  peak   4236  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.536   ppm2  8.967   CV     1  
 
ASSI  { 4245} 
   (( resid 85 and name HN ))   
   (( resid 84 and name HA ))   
2.800  1.000  1.000  peak   4245  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.130   ppm2  4.689   CV     1  
 
ASSI  { 4246} 
   (( resid 85 and name HA1 ))   
   (( resid 84 and name HA ))   
4.800  2.900  1.200  peak   4246  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.027   ppm2  4.689   CV     1  
 
ASSI  { 4254} 
   (( resid 85 and name HN ))   
   (( resid 84 and name HB3 ))   
3.400  1.400  1.400  peak   4254  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.130   ppm2  3.845   CV     1  
 
ASSI  { 4255} 
   (( resid 88 and name HA ))   
   (( resid 84 and name HB3 ))   
2.700  2.700  3.300  peak   4255  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.725   ppm2  3.845   CV     1  
 
ASSI  { 4259} 
   (( resid 89 and name HD1% ))   
   (( resid 84 and name HB3 ))   
3.500  1.500  1.500  peak   4259  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.941   ppm2  3.845   CV     1  
 
ASSI  { 4266} 
   (( resid 85 and name HN ))   
   (( resid 84 and name HB2 ))   
4.100  2.100  1.900  peak   4266  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.130   ppm2  3.568   CV     1  
 
ASSI  { 4267} 
   (( resid 85 and name HA2 ))   
   (( resid 84 and name HB2 ))   
4.100  2.100  1.900  peak   4267  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.633   ppm2  3.568   CV     1  
 
ASSI  { 4268} 
   (( resid 86 and name HN ))   
   (( resid 84 and name HB2 ))   
3.500  3.500  2.500  peak   4268  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.850   ppm2  3.568   CV     1  
 
ASSI  { 4269} 
   (( resid 87 and name HN ))   
   (( resid 84 and name HB2 ))   
3.500  3.500  2.500  peak   4269  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.312   ppm2  3.568   CV     1  
 
ASSI  { 4276} 
   (( resid 89 and name HD1% ))   
   (( resid 84 and name HB2 ))   
3.900  1.900  1.900  peak   4276  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.941   ppm2  3.568   CV     1  
 
ASSI  { 4287} 
   (( resid 86 and name HN ))   
   (( resid 85 and name HN ))   
3.700  1.700  1.700  peak   4287  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.850   ppm2  9.130   CV     1  
 
ASSI  { 4288} 
   (( resid 86 and name HA ))   
   (( resid 85 and name HN ))   
2.300  2.300  3.700  peak   4288  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.910   ppm2  9.130   CV     1  
 
ASSI  { 4290} 
   (( resid 87 and name HN ))   
   (( resid 85 and name HN ))   
2.300  2.300  3.700  peak   4290  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.312   ppm2  9.130   CV     1  
 
ASSI  { 4298} 
   (( resid 86 and name HN ))   
   (( resid 85 and name HA1 ))   
4.100  2.100  1.900  peak   4298  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.850   ppm2  4.027   CV     1  
 
ASSI  { 4299} 
   (( resid 86 and name HA ))   
   (( resid 85 and name HA1 ))   
3.800  1.800  1.800  peak   4299  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.910   ppm2  4.027   CV     1  
 
ASSI  { 4301} 
   (( resid 87 and name HN ))   
   (( resid 85 and name HA1 ))   
2.400  2.400  3.600  peak   4301  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.312   ppm2  4.027   CV     1  
 
ASSI  { 4306} 
   (( resid 86 and name HN ))   
   (( resid 85 and name HA2 ))   
2.900  1.100  1.100  peak   4306  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.850   ppm2  3.633   CV     1  
 
ASSI  { 4307} 
   (( resid 86 and name HA ))   
   (( resid 85 and name HA2 ))   
3.900  1.900  1.900  peak   4307  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.910   ppm2  3.633   CV     1  
 
ASSI  { 4308} 
   (( resid 86 and name HB3 ))   
   (( resid 85 and name HA2 ))   
4.400  2.400  1.600  peak   4308  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.190   ppm2  3.633   CV     1  
 
ASSI  { 4309} 
   (( resid 86 and name HB2 ))   
   (( resid 85 and name HA2 ))   
4.100  2.100  1.900  peak   4309  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.988   ppm2  3.633   CV     1  
 
ASSI  { 4310} 
   (( resid 87 and name HN ))   
   (( resid 85 and name HA2 ))   
3.700  1.700  1.700  peak   4310  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.312   ppm2  3.633   CV     1  
 
ASSI  { 4321} 
   (( resid 87 and name HB2 ))   
   (( resid 86 and name HN ))   
4.100  2.100  1.900  peak   4321  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.008   ppm2  8.850   CV     1  
 
ASSI  { 4340} 
   (( resid 87 and name HN ))   
   (( resid 86 and name HB3 ))   
4.200  2.200  1.800  peak   4340  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.312   ppm2  3.190   CV     1  
 
ASSI  { 4346} 
   (( resid 87 and name HN ))   
   (( resid 86 and name HB2 ))   
4.100  2.100  1.900  peak   4346  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.312   ppm2  2.988   CV     1  
 
ASSI  { 4347} 
   (( resid 87 and name HA ))   
   (( resid 86 and name HB2 ))   
3.600  1.600  1.600  peak   4347  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.275   ppm2  2.988   CV     1  
 
ASSI  { 4365} 
   (( resid 88 and name HN ))   
   (( resid 87 and name HN ))   
3.000  3.000  3.000  peak   4365  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.662   ppm2  8.312   CV     1  
 
ASSI  { 4366} 
   (( resid 88 and name HA ))   
   (( resid 87 and name HN ))   
2.800  2.800  3.200  peak   4366  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.725   ppm2  8.312   CV     1  
 
ASSI  { 4392} 
   (( resid 88 and name HN ))   
   (( resid 87 and name HB2 ))   
3.100  1.200  1.200  peak   4392  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.662   ppm2  2.008   CV     1  
 
ASSI  { 4393} 
   (( resid 88 and name HA ))   
   (( resid 87 and name HB2 ))   
3.800  1.800  1.800  peak   4393  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.725   ppm2  2.008   CV     1  
 
ASSI  { 4396} 
   (( resid 104 and name HB2 ))   
   (( resid 87 and name HB2 ))   
5.600  3.900  0.400  peak   4396  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.124   ppm2  2.008   CV     1  
 
ASSI  { 4397} 
   (( resid 104 and name HB3 ))   
   (( resid 87 and name HB2 ))   
5.100  3.300  0.900  peak   4397  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.124   ppm2  2.008   CV     1  
 
ASSI  { 4398} 
   (( resid 105 and name HN ))   
   (( resid 87 and name HB2 ))   
4.100  2.100  1.900  peak   4398  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.686   ppm2  2.008   CV     1  
 
ASSI  { 4407} 
   (( resid 104 and name HN ))   
   (( resid 87 and name HB3 ))   
4.400  2.400  1.600  peak   4407  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.765   ppm2  2.257   CV     1  
 
ASSI  { 4413} 
   (( resid 105 and name HB2 ))   
   (( resid 87 and name HB3 ))   
5.100  3.200  0.900  peak   4413  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.506   ppm2  2.257   CV     1  
 
ASSI  { 4414} 
   (( resid 105 and name HB3 ))   
   (( resid 87 and name HB3 ))   
5.300  3.500  0.700  peak   4414  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.605   ppm2  2.257   CV     1  
 
ASSI  { 4428} 
   (( resid 103 and name HB3 ))   
   (( resid 88 and name HN ))   
3.200  1.300  1.300  peak   4428  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.216   ppm2  8.662   CV     1  
 
ASSI  { 4431} 
   (( resid 104 and name HB2 ))   
   (( resid 88 and name HN ))   
4.300  2.400  1.700  peak   4431  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.124   ppm2  8.662   CV     1  
 
ASSI  { 4432} 
   (( resid 104 and name HB3 ))   
   (( resid 88 and name HN ))   
4.200  2.200  1.800  peak   4432  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.124   ppm2  8.662   CV     1  
 
ASSI  { 4454} 
   (( resid 104 and name HA ))   
   (( resid 88 and name HA ))   
2.500  2.500  3.500  peak   4454  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.383   ppm2  4.725   CV     1  
 
ASSI  { 4466} 
   (( resid 89 and name HA ))   
   (( resid 88 and name HG ))   
4.200  2.200  1.800  peak   4466  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.566   ppm2  0.877   CV     1  
 
ASSI  { 4468} 
   (( resid 90 and name HN ))   
   (( resid 88 and name HG ))   
4.200  2.200  1.800  peak   4468  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.514   ppm2  0.877   CV     1  
 
ASSI  { 4469} 
   (( resid 90 and name HA ))   
   (( resid 88 and name HG ))   
4.300  2.300  1.700  peak   4469  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.798   ppm2  0.877   CV     1  
 
ASSI  { 4472} 
   (( resid 103 and name HB2 ))   
   (( resid 88 and name HG ))   
4.600  2.600  1.400  peak   4472  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.534   ppm2  0.877   CV     1  
 
ASSI  { 4506} 
   (( resid 103 and name HN ))   
   (( resid 89 and name HN ))   
2.800  2.800  3.200  peak   4506  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.725   ppm2  9.536   CV     1  
 
ASSI  { 4518} 
   (( resid 90 and name HB2 ))   
   (( resid 89 and name HA ))   
4.000  2.000  2.000  peak   4518  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.215   ppm2  4.566   CV     1  
 
ASSI  { 4519} 
   (( resid 101 and name HN ))   
   (( resid 89 and name HA ))   
3.200  3.200  2.800  peak   4519  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.316   ppm2  4.566   CV     1  
 
ASSI  { 4520} 
   (( resid 102 and name HA ))   
   (( resid 89 and name HA ))   
3.200  1.300  1.300  peak   4520  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.781   ppm2  4.566   CV     1  
 
ASSI  { 4524} 
   (( resid 103 and name HB2 ))   
   (( resid 89 and name HA ))   
3.500  1.600  1.600  peak   4524  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.534   ppm2  4.566   CV     1  
 
ASSI  { 4539} 
   (( resid 102 and name HA ))   
   (( resid 89 and name HB ))   
4.200  2.200  1.800  peak   4539  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.781   ppm2  1.983   CV     1  
 
ASSI  { 4546} 
   (( resid 91 and name HG2% ))   
   (( resid 89 and name HG2% ))   
5.200  3.300  0.800  peak   4546  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.142   ppm2  1.125   CV     1  
 
ASSI  { 4550} 
   (( resid 102 and name HB ))   
   (( resid 89 and name HG2% ))   
5.100  3.200  0.900  peak   4550  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.829   ppm2  1.125   CV     1  
 
ASSI  { 4551} 
   (( resid 103 and name HN ))   
   (( resid 89 and name HG2% ))   
3.900  1.900  1.900  peak   4551  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.725   ppm2  1.125   CV     1  
 
ASSI  { 4558} 
   (( resid 102 and name HA ))   
   (( resid 89 and name HD1% ))   
4.600  2.700  1.400  peak   4558  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.781   ppm2  0.941   CV     1  
 
ASSI  { 4559} 
   (( resid 102 and name HB ))   
   (( resid 89 and name HD1% ))   
3.900  1.900  1.900  peak   4559  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.829   ppm2  0.941   CV     1  
 
ASSI  { 4574} 
   (( resid 91 and name HN ))   
   (( resid 90 and name HN ))   
3.100  1.200  1.200  peak   4574  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.407   ppm2  9.514   CV     1  
 
ASSI  { 4575} 
   (( resid 91 and name HA ))   
   (( resid 90 and name HN ))   
2.800  2.800  3.200  peak   4575  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.347   ppm2  9.514   CV     1  
 
ASSI  { 4586} 
   (( resid 91 and name HA ))   
   (( resid 90 and name HA ))   
3.500  1.500  1.500  peak   4586  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.347   ppm2  5.798   CV     1  
 
ASSI  { 4595} 
   (( resid 91 and name HN ))   
   (( resid 90 and name HB2 ))   
4.100  2.100  1.900  peak   4595  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.407   ppm2  2.215   CV     1  
 
ASSI  { 4602} 
   (( resid 91 and name HN ))   
   (( resid 90 and name HB3 ))   
3.800  1.800  1.800  peak   4602  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.407   ppm2  2.462   CV     1  
 
ASSI  { 4603} 
   (( resid 91 and name HA ))   
   (( resid 90 and name HB3 ))   
3.500  1.500  1.500  peak   4603  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.347   ppm2  2.462   CV     1  
 
ASSI  { 4604} 
   (( resid 92 and name HN ))   
   (( resid 90 and name HB3 ))   
3.600  3.600  2.400  peak   4604  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.004   ppm2  2.462   CV     1  
 
ASSI  { 4605} 
   (( resid 101 and name HN ))   
   (( resid 90 and name HB3 ))   
3.100  3.100  2.900  peak   4605  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.316   ppm2  2.462   CV     1  
 
ASSI  { 4621} 
   (( resid 92 and name HA ))   
   (( resid 91 and name HN ))   
3.000  3.000  3.000  peak   4621  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.698   ppm2  9.407   CV     1  
 
ASSI  { 4631} 
   (( resid 92 and name HN ))   
   (( resid 91 and name HA ))   
2.700  0.900  0.900  peak   4631  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.004   ppm2  5.347   CV     1  
 
ASSI  { 4633} 
   (( resid 92 and name HB3 ))   
   (( resid 91 and name HA ))   
4.900  3.000  1.100  peak   4633  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.216   ppm2  5.347   CV     1  
 
ASSI  { 4638} 
   (( resid 101 and name HN ))   
   (( resid 91 and name HA ))   
2.900  1.100  1.100  peak   4638  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.316   ppm2  5.347   CV     1  
 
ASSI  { 4647} 
   (( resid 92 and name HA ))   
   (( resid 91 and name HB ))   
3.300  1.400  1.400  peak   4647  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.698   ppm2  4.031   CV     1  
 
ASSI  { 4651} 
   (( resid 98 and name HA ))   
   (( resid 91 and name HB ))   
3.600  1.700  1.700  peak   4651  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.081   ppm2  4.031   CV     1  
 
ASSI  { 4652} 
   (( resid 99 and name HN ))   
   (( resid 91 and name HB ))   
3.000  3.000  3.000  peak   4652  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.242   ppm2  4.031   CV     1  
 
ASSI  { 4653} 
   (( resid 100 and name HA ))   
   (( resid 91 and name HB ))   
3.600  1.600  1.600  peak   4653  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.643   ppm2  4.031   CV     1  
 
ASSI  { 4665} 
   (( resid 100 and name HA ))   
   (( resid 91 and name HG2% ))   
4.100  2.100  1.900  peak   4665  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.643   ppm2  1.142   CV     1  
 
ASSI  { 4666} 
   (( resid 101 and name HN ))   
   (( resid 91 and name HG2% ))   
3.900  1.900  1.900  peak   4666  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.316   ppm2  1.142   CV     1  
 
ASSI  { 4682} 
   (( resid 101 and name HN ))   
   (( resid 92 and name HN ))   
2.000  2.000  4.000  peak   4682  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.316   ppm2  9.004   CV     1  
 
ASSI  { 4701} 
   (( resid 93 and name HB ))   
   (( resid 92 and name HA ))   
4.200  2.200  1.800  peak   4701  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.030   ppm2  5.698   CV     1  
 
ASSI  { 4710} 
   (( resid 93 and name HN ))   
   (( resid 92 and name HB3 ))   
3.400  1.500  1.500  peak   4710  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.520   ppm2  3.216   CV     1  
 
ASSI  { 4711} 
   (( resid 93 and name HA ))   
   (( resid 92 and name HB3 ))   
3.600  1.600  1.600  peak   4711  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.332   ppm2  3.216   CV     1  
 
ASSI  { 4714} 
   (( resid 99 and name HN ))   
   (( resid 92 and name HB3 ))   
3.600  1.700  1.700  peak   4714  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.242   ppm2  3.216   CV     1  
 
ASSI  { 4715} 
   (( resid 99 and name HB% ))   
   (( resid 92 and name HB3 ))   
3.400  1.500  1.500  peak   4715  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.524   ppm2  3.216   CV     1  
 
ASSI  { 4716} 
   (( resid 100 and name HA ))   
   (( resid 92 and name HB3 ))   
2.700  2.700  3.300  peak   4716  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.643   ppm2  3.216   CV     1  
 
ASSI  { 4729} 
   (( resid 93 and name HN ))   
   (( resid 92 and name HB2 ))   
3.800  1.800  1.800  peak   4729  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.520   ppm2  3.011   CV     1  
 
ASSI  { 4730} 
   (( resid 93 and name HA ))   
   (( resid 92 and name HB2 ))   
3.500  1.600  1.600  peak   4730  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.332   ppm2  3.011   CV     1  
 
ASSI  { 4732} 
   (( resid 94 and name HB2 ))   
   (( resid 92 and name HB2 ))   
4.000  4.000  2.000  peak   4732  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.049   ppm2  3.011   CV     1  
 
ASSI  { 4733} 
   (( resid 99 and name HB% ))   
   (( resid 92 and name HB2 ))   
3.900  1.900  1.900  peak   4733  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.524   ppm2  3.011   CV     1  
 
ASSI  { 4745} 
   (( resid 93 and name HN ))   
   (( resid 92 and name HD% ))   
3.300  1.400  1.400  peak   4745  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.520   ppm2  7.152   CV     1  
 
ASSI  { 4786} 
   (( resid 94 and name HB3 ))   
   (( resid 93 and name HA ))   
4.100  2.100  1.900  peak   4786  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.998   ppm2  5.332   CV     1  
 
ASSI  { 4787} 
   (( resid 94 and name HB2 ))   
   (( resid 93 and name HA ))   
3.900  1.900  1.900  peak   4787  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.049   ppm2  5.332   CV     1  
 
ASSI  { 4790} 
   (( resid 99 and name HN ))   
   (( resid 93 and name HA ))   
3.300  1.300  1.300  peak   4790  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.242   ppm2  5.332   CV     1  
 
ASSI  { 4806} 
   (( resid 94 and name HN ))   
   (( resid 93 and name HB ))   
3.600  1.700  1.700  peak   4806  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.439   ppm2  4.030   CV     1  
 
ASSI  { 4816} 
   (( resid 94 and name HN ))   
   (( resid 93 and name HG2% ))   
3.800  1.800  1.800  peak   4816  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.439   ppm2  1.141   CV     1  
 
ASSI  { 4817} 
   (( resid 94 and name HA ))   
   (( resid 93 and name HG2% ))   
4.000  2.000  2.000  peak   4817  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.996   ppm2  1.141   CV     1  
 
ASSI  { 4818} 
   (( resid 94 and name HB3 ))   
   (( resid 93 and name HG2% ))   
3.500  1.500  1.500  peak   4818  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.998   ppm2  1.141   CV     1  
 
ASSI  { 4819} 
   (( resid 96 and name HN ))   
   (( resid 93 and name HG2% ))   
2.900  2.900  3.100  peak   4819  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.580   ppm2  1.141   CV     1  
 
ASSI  { 4831} 
   (( resid 97 and name HN ))   
   (( resid 94 and name HN ))   
2.700  0.900  0.900  peak   4831  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.870   ppm2  8.439   CV     1  
 
ASSI  { 4849} 
   (( resid 95 and name HB3 ))   
   (( resid 94 and name HA ))   
5.500  3.800  0.500  peak   4849  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.015   ppm2  4.996   CV     1  
 
ASSI  { 4851} 
   (( resid 96 and name HN ))   
   (( resid 94 and name HA ))   
3.300  1.300  1.300  peak   4851  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.580   ppm2  4.996   CV     1  
 
ASSI  { 4852} 
   (( resid 97 and name HN ))   
   (( resid 94 and name HA ))   
3.400  1.400  1.400  peak   4852  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.870   ppm2  4.996   CV     1  
 
ASSI  { 4869} 
   (( resid 95 and name HN ))   
   (( resid 94 and name HB3 ))   
3.500  1.500  1.500  peak   4869  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.525   ppm2  2.998   CV     1  
 
ASSI  { 4870} 
   (( resid 95 and name HB3 ))   
   (( resid 94 and name HB3 ))   
5.400  5.400  0.600  peak   4870  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.015   ppm2  2.998   CV     1  
 
ASSI  { 4880} 
   (( resid 95 and name HN ))   
   (( resid 94 and name HB2 ))   
3.700  1.700  1.700  peak   4880  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.525   ppm2  3.049   CV     1  
 
ASSI  { 4881} 
   (( resid 95 and name HB3 ))   
   (( resid 94 and name HB2 ))   
6.000  4.500  0.000  peak   4881  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.015   ppm2  3.049   CV     1  
 
ASSI  { 4882} 
   (( resid 97 and name HN ))   
   (( resid 94 and name HB2 ))   
4.100  2.100  1.900  peak   4882  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.870   ppm2  3.049   CV     1  
 
ASSI  { 4898} 
   (( resid 95 and name HN ))   
   (( resid 94 and name HD% ))   
2.400  0.700  0.700  peak   4898  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.525   ppm2  7.331   CV     1  
 
ASSI  { 4899} 
   (( resid 95 and name HA ))   
   (( resid 94 and name HD% ))   
4.100  2.100  1.900  peak   4899  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.660   ppm2  7.331   CV     1  
 
ASSI  { 4900} 
   (( resid 95 and name HB3 ))   
   (( resid 94 and name HD% ))   
5.000  3.100  1.000  peak   4900  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.015   ppm2  7.331   CV     1  
 
ASSI  { 4930} 
   (( resid 97 and name HN ))   
   (( resid 95 and name HN ))   
3.000  3.000  3.000  peak   4930  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.870   ppm2  9.525   CV     1  
 
ASSI  { 4941} 
   (( resid 96 and name HA1 ))   
   (( resid 95 and name HA ))   
3.800  1.800  1.800  peak   4941  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.126   ppm2  3.660   CV     1  
 
ASSI  { 4942} 
   (( resid 96 and name HA2 ))   
   (( resid 95 and name HA ))   
4.100  2.100  1.900  peak   4942  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.582   ppm2  3.660   CV     1  
 
ASSI  { 4954} 
   (( resid 96 and name HN ))   
   (( resid 95 and name HB3 ))   
3.900  1.900  1.900  peak   4954  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.580   ppm2  2.015   CV     1  
 
ASSI  { 4955} 
   (( resid 97 and name HN ))   
   (( resid 95 and name HB3 ))   
2.800  2.800  3.200  peak   4955  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.870   ppm2  2.015   CV     1  
 
ASSI  { 4961} 
   (( resid 96 and name HN ))   
   (( resid 95 and name HB2 ))   
3.200  1.300  1.300  peak   4961  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.580   ppm2  1.686   CV     1  
 
ASSI  { 4962} 
   (( resid 96 and name HA2 ))   
   (( resid 95 and name HB2 ))   
4.000  2.000  2.000  peak   4962  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.582   ppm2  1.686   CV     1  
 
ASSI  { 4963} 
   (( resid 97 and name HN ))   
   (( resid 95 and name HB2 ))   
2.700  2.700  3.300  peak   4963  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.870   ppm2  1.686   CV     1  
 
ASSI  { 4986} 
   (( resid 97 and name HN ))   
   (( resid 96 and name HN ))   
2.700  0.900  0.900  peak   4986  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.870   ppm2  8.580   CV     1  
 
ASSI  { 4991} 
   (( resid 97 and name HN ))   
   (( resid 96 and name HA1 ))   
3.500  1.500  1.500  peak   4991  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.870   ppm2  4.126   CV     1  
 
ASSI  { 4992} 
   (( resid 97 and name HA ))   
   (( resid 96 and name HA1 ))   
3.600  1.600  1.600  peak   4992  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.293   ppm2  4.126   CV     1  
 
ASSI  { 4998} 
   (( resid 97 and name HN ))   
   (( resid 96 and name HA2 ))   
3.300  1.400  1.400  peak   4998  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.870   ppm2  3.582   CV     1  
 
ASSI  { 4999} 
   (( resid 97 and name HA ))   
   (( resid 96 and name HA2 ))   
3.600  1.700  1.700  peak   4999  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.293   ppm2  3.582   CV     1  
 
ASSI  { 5015} 
   (( resid 98 and name HN ))   
   (( resid 97 and name HN ))   
3.100  1.200  1.200  peak   5015  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.772   ppm2  7.870   CV     1  
 
ASSI  { 5016} 
   (( resid 98 and name HA ))   
   (( resid 97 and name HN ))   
2.900  2.900  3.100  peak   5016  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.081   ppm2  7.870   CV     1  
 
ASSI  { 5032} 
   (( resid 99 and name HN ))   
   (( resid 97 and name HB ))   
2.600  2.600  3.400  peak   5032  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.242   ppm2  2.251   CV     1  
 
ASSI  { 5047} 
   (( resid 99 and name HA ))   
   (( resid 98 and name HN ))   
2.900  2.900  3.100  peak   5047  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.854   ppm2  8.772   CV     1  
 
ASSI  { 5082} 
   (( resid 100 and name HA ))   
   (( resid 99 and name HA ))   
3.700  1.700  1.700  peak   5082  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.643   ppm2  4.854   CV     1  
 
ASSI  { 5093} 
   (( resid 100 and name HA ))   
   (( resid 99 and name HB% ))   
4.100  2.100  1.900  peak   5093  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.643   ppm2  1.524   CV     1  
 
ASSI  { 5101} 
   (( resid 101 and name HN ))   
   (( resid 100 and name HN ))   
3.000  3.000  3.000  peak   5101  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.316   ppm2  8.913   CV     1  
 
ASSI  { 5102} 
   (( resid 101 and name HA ))   
   (( resid 100 and name HN ))   
2.300  2.300  3.700  peak   5102  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.612   ppm2  8.913   CV     1  
 
ASSI  { 5129} 
   (( resid 102 and name HA ))   
   (( resid 101 and name HN ))   
2.800  2.800  3.200  peak   5129  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.781   ppm2  9.316   CV     1  
 
ASSI  { 5139} 
   (( resid 102 and name HB ))   
   (( resid 101 and name HA ))   
4.600  2.600  1.400  peak   5139  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.829   ppm2  4.612   CV     1  
 
ASSI  { 5152} 
   (( resid 102 and name HN ))   
   (( resid 101 and name HG2 ))   
3.800  1.800  1.800  peak   5152  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.502   ppm2  1.544   CV     1  
 
ASSI  { 5153} 
   (( resid 102 and name HA ))   
   (( resid 101 and name HG2 ))   
3.900  1.900  1.900  peak   5153  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.781   ppm2  1.544   CV     1  
 
ASSI  { 5154} 
   (( resid 102 and name HG2% ))   
   (( resid 101 and name HG2 ))   
5.700  4.100  0.300  peak   5154  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.592   ppm2  1.544   CV     1  
 
ASSI  { 5155} 
   (( resid 103 and name HA ))   
   (( resid 101 and name HG2 ))   
3.900  1.900  1.900  peak   5155  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.580   ppm2  1.544   CV     1  
 
ASSI  { 5156} 
   (( resid 103 and name HD% ))   
   (( resid 101 and name HG2 ))   
3.500  1.500  1.500  peak   5156  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.173   ppm2  1.544   CV     1  
 
ASSI  { 5157} 
   (( resid 103 and name HE% ))   
   (( resid 101 and name HG2 ))   
3.400  1.400  1.400  peak   5157  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.011   ppm2  1.544   CV     1  
 
ASSI  { 5162} 
   (( resid 103 and name HE% ))   
   (( resid 101 and name HD3 ))   
3.400  1.400  1.400  peak   5162  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.011   ppm2  3.148   CV     1  
 
ASSI  { 5172} 
   (( resid 103 and name HN ))   
   (( resid 102 and name HN ))   
3.100  3.100  2.900  peak   5172  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.725   ppm2  8.502   CV     1  
 
ASSI  { 5186} 
   (( resid 103 and name HA ))   
   (( resid 102 and name HA ))   
3.800  1.800  1.800  peak   5186  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.580   ppm2  4.781   CV     1  
 
ASSI  { 5187} 
   (( resid 103 and name HB2 ))   
   (( resid 102 and name HA ))   
4.300  2.300  1.700  peak   5187  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.534   ppm2  4.781   CV     1  
 
ASSI  { 5204} 
   (( resid 103 and name HN ))   
   (( resid 102 and name HG2% ))   
4.200  2.200  1.800  peak   5204  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.725   ppm2  1.592   CV     1  
 
ASSI  { 5205} 
   (( resid 103 and name HA ))   
   (( resid 102 and name HG2% ))   
3.100  1.200  1.200  peak   5205  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.580   ppm2  1.592   CV     1  
 
ASSI  { 5210} 
   (( resid 103 and name HN ))   
   (( resid 102 and name HD1% ))   
4.500  2.500  1.500  peak   5210  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.725   ppm2  0.942   CV     1  
 
ASSI  { 5225} 
   (( resid 104 and name HN ))   
   (( resid 103 and name HN ))   
3.000  3.000  3.000  peak   5225  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.765   ppm2  9.725   CV     1  
 
ASSI  { 5226} 
   (( resid 104 and name HA ))   
   (( resid 103 and name HN ))   
2.700  2.700  3.300  peak   5226  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.383   ppm2  9.725   CV     1  
 
ASSI  { 5240} 
   (( resid 104 and name HB3 ))   
   (( resid 103 and name HA ))   
4.400  2.400  1.600  peak   5240  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.124   ppm2  4.580   CV     1  
 
ASSI  { 5254} 
   (( resid 104 and name HN ))   
   (( resid 103 and name HB2 ))   
3.600  1.600  1.600  peak   5254  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.765   ppm2  3.534   CV     1  
 
ASSI  { 5255} 
   (( resid 104 and name HA ))   
   (( resid 103 and name HB2 ))   
3.400  1.500  1.500  peak   5255  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.383   ppm2  3.534   CV     1  
 
ASSI  { 5268} 
   (( resid 104 and name HN ))   
   (( resid 103 and name HB3 ))   
3.200  1.300  1.300  peak   5268  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.765   ppm2  3.216   CV     1  
 
ASSI  { 5269} 
   (( resid 104 and name HA ))   
   (( resid 103 and name HB3 ))   
3.500  1.500  1.500  peak   5269  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.383   ppm2  3.216   CV     1  
 
ASSI  { 5279} 
   (( resid 104 and name HN ))   
   (( resid 103 and name HD% ))   
3.100  1.200  1.200  peak   5279  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.765   ppm2  7.173   CV     1  
 
ASSI  { 5306} 
   (( resid 105 and name HA ))   
   (( resid 104 and name HN ))   
2.400  2.400  3.600  peak   5306  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.012   ppm2  8.765   CV     1  
 
ASSI  { 5324} 
   (( resid 105 and name HB2 ))   
   (( resid 104 and name HA ))   
4.800  2.800  1.200  peak   5324  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.506   ppm2  5.383   CV     1  
 
ASSI  { 5333} 
   (( resid 105 and name HN ))   
   (( resid 104 and name HB2 ))   
3.700  1.700  1.700  peak   5333  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.686   ppm2  2.124   CV     1  
 
ASSI  { 5334} 
   (( resid 105 and name HA ))   
   (( resid 104 and name HB2 ))   
4.000  2.000  2.000  peak   5334  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.012   ppm2  2.124   CV     1  
 
ASSI  { 5336} 
   (( resid 105 and name HB3 ))   
   (( resid 104 and name HB2 ))   
4.800  2.800  1.200  peak   5336  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.605   ppm2  2.124   CV     1  
 
ASSI  { 5348} 
   (( resid 105 and name HN ))   
   (( resid 104 and name HB3 ))   
3.300  1.300  1.300  peak   5348  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.686   ppm2  2.124   CV     1  
 
ASSI  { 5366} 
   (( resid 106 and name HA ))   
   (( resid 105 and name HN ))   
2.300  2.300  3.700  peak   5366  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.178   ppm2  8.686   CV     1  
 
ASSI  { 5383} 
   (( resid 106 and name HN ))   
   (( resid 105 and name HA ))   
2.600  0.900  0.900  peak   5383  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.431   ppm2  4.012   CV     1  
 
ASSI  { 5384} 
   (( resid 106 and name HA ))   
   (( resid 105 and name HA ))   
4.100  2.100  1.900  peak   5384  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.178   ppm2  4.012   CV     1  
 
ASSI  { 5410} 
   (( resid 106 and name HA ))   
   (( resid 105 and name HB3 ))   
3.200  3.200  2.800  peak   5410  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.178   ppm2  1.605   CV     1  
 
ASSI  {   11} 
   (( resid 6 and name HN ))   
   (( resid 5 and name HG2% ))   
5.200  3.400  0.800  peak   11  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.399   ppm2  1.213   CV     1  
 
ASSI  {   12} 
   (( resid 14 and name HA ))   
   (( resid 5 and name HG2% ))   
4.300  2.300  1.700  peak   12  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.522   ppm2  1.213   CV     1  
 
ASSI  {   27} 
   (( resid 3 and name HA ))   
   (( resid 2 and name HN ))   
2.500  2.500  3.500  peak   27  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.560   ppm2  7.890   CV     1  
 
ASSI  { 1017} 
   (( resid  and name  ))   
   (( resid 2 and name HN ))   
0.000  0.000  6.000  peak   1017  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  7.890   CV     1  
 
ASSI  {   33} 
   (( resid 3 and name HN ))   
   (( resid 2 and name HA ))   
3.600  1.600  1.600  peak   33  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.895   ppm2  4.368   CV     1  
 
ASSI  {   35} 
   (( resid 15 and name HB ))   
   (( resid 2 and name HA ))   
4.500  2.500  1.500  peak   35  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.923   ppm2  4.368   CV     1  
 
ASSI  {   36} 
   (( resid 3 and name HN ))   
   (( resid 2 and name HB2 ))   
3.000  1.100  1.100  peak   36  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.895   ppm2  3.197   CV     1  
 
ASSI  { 1021} 
   (( resid 3 and name HN ))   
   (( resid 2 and name HB3 ))   
0.000  0.000  2.200  peak   1021  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.895   ppm2  3.075   CV     1  
 
ASSI  {   37} 
   (( resid 15 and name HB ))   
   (( resid 2 and name HB3 ))   
4.500  2.500  1.500  peak   37  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.923   ppm2  3.075   CV     1  
 
ASSI  { 1023} 
   (( resid 15 and name HB ))   
   (( resid 2 and name HB2 ))   
0.000  0.000  6.000  peak   1023  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.923   ppm2  3.197   CV     1  
 
ASSI  {   38} 
   (( resid 15 and name HG2% ))   
   (( resid 2 and name HB2 ))   
5.200  3.400  0.800  peak   38  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.330   ppm2  3.197   CV     1  
 
ASSI  { 1025} 
   (( resid 15 and name HG2% ))   
   (( resid 2 and name HB3 ))   
0.000  0.000  6.000  peak   1025  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.330   ppm2  3.075   CV     1  
 
ASSI  {   39} 
   (( resid 17 and name HN ))   
   (( resid 2 and name HB2 ))   
3.600  1.700  1.700  peak   39  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.073   ppm2  3.197   CV     1  
 
ASSI  { 1027} 
   (( resid 17 and name HN ))   
   (( resid 2 and name HB3 ))   
0.000  0.000  6.000  peak   1027  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.073   ppm2  3.075   CV     1  
 
ASSI  {   40} 
   (( resid 17 and name HB3 ))   
   (( resid 2 and name HB2 ))   
4.300  2.400  1.700  peak   40  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.044   ppm2  3.197   CV     1  
 
ASSI  { 1029} 
   (( resid 17 and name HB3 ))   
   (( resid 2 and name HB3 ))   
0.000  0.000  6.000  peak   1029  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.044   ppm2  3.075   CV     1  
 
ASSI  {   43} 
   (( resid 15 and name HD1% ))   
   (( resid 2 and name HB3 ))   
4.100  2.100  1.900  peak   43  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.898   ppm2  3.075   CV     1  
 
ASSI  { 1032} 
   (( resid 16 and name HA ))   
   (( resid 2 and name HB3 ))   
0.000  0.000  6.000  peak   1032  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.730   ppm2  3.075   CV     1  
 
ASSI  {   47} 
   (( resid 4 and name HN ))   
   (( resid 3 and name HN ))   
2.700  0.900  0.900  peak   47  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.671   ppm2  7.895   CV     1  
 
ASSI  {   48} 
   (( resid 15 and name HB ))   
   (( resid 3 and name HN ))   
3.400  1.500  1.500  peak   48  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.923   ppm2  7.895   CV     1  
 
ASSI  {   49} 
   (( resid 16 and name HA ))   
   (( resid 3 and name HN ))   
3.000  1.100  1.100  peak   49  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.730   ppm2  7.895   CV     1  
 
ASSI  {   52} 
   (( resid 4 and name HN ))   
   (( resid 3 and name HA ))   
3.200  1.300  1.300  peak   52  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.671   ppm2  4.560   CV     1  
 
ASSI  {   53} 
   (( resid 4 and name HA2 ))   
   (( resid 3 and name HA ))   
4.300  2.300  1.700  peak   53  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.293   ppm2  4.560   CV     1  
 
ASSI  { 1038} 
   (( resid 4 and name HA1 ))   
   (( resid 3 and name HA ))   
0.000  0.000  6.000  peak   1038  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.815   ppm2  4.560   CV     1  
 
ASSI  {   54} 
   (( resid 14 and name HG2% ))   
   (( resid 3 and name HA ))   
4.900  3.000  1.100  peak   54  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.278   ppm2  4.560   CV     1  
 
ASSI  {   55} 
   (( resid 15 and name HB ))   
   (( resid 3 and name HA ))   
4.400  2.400  1.600  peak   55  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.923   ppm2  4.560   CV     1  
 
ASSI  {   56} 
   (( resid 16 and name HN ))   
   (( resid 3 and name HA ))   
3.600  1.600  1.600  peak   56  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.758   ppm2  4.560   CV     1  
 
ASSI  {   57} 
   (( resid 16 and name HB ))   
   (( resid 3 and name HA ))   
4.400  2.400  1.600  peak   57  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.997   ppm2  4.560   CV     1  
 
ASSI  {   58} 
   (( resid 16 and name HG2% ))   
   (( resid 3 and name HA ))   
6.000  6.000  0.000  peak   58  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.015   ppm2  4.560   CV     1  
 
ASSI  {   65} 
   (( resid 16 and name HA ))   
   (( resid 3 and name HA ))   
3.600  1.600  1.600  peak   65  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.730   ppm2  4.560   CV     1  
 
ASSI  {   67} 
   (( resid 17 and name HN ))   
   (( resid 3 and name HA ))   
3.400  1.500  1.500  peak   67  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.073   ppm2  4.560   CV     1  
 
ASSI  {   69} 
   (( resid 5 and name HA ))   
   (( resid 4 and name HN ))   
3.300  1.400  1.400  peak   69  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.285   ppm2  8.671   CV     1  
 
ASSI  {   71} 
   (( resid 14 and name HG2% ))   
   (( resid 4 and name HN ))   
4.400  2.400  1.600  peak   71  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.278   ppm2  8.671   CV     1  
 
ASSI  {   72} 
   (( resid 15 and name HN ))   
   (( resid 4 and name HN ))   
2.800  1.000  1.000  peak   72  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.467   ppm2  8.671   CV     1  
 
ASSI  {   73} 
   (( resid 15 and name HB ))   
   (( resid 4 and name HN ))   
3.500  1.500  1.500  peak   73  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.923   ppm2  8.671   CV     1  
 
ASSI  {   74} 
   (( resid 16 and name HA ))   
   (( resid 4 and name HN ))   
3.400  3.400  2.600  peak   74  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.730   ppm2  8.671   CV     1  
 
ASSI  {   75} 
   (( resid 5 and name HN ))   
   (( resid 4 and name HA2 ))   
3.600  1.700  1.700  peak   75  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.331   ppm2  4.293   CV     1  
 
ASSI  {   79} 
   (( resid 6 and name HN ))   
   (( resid 5 and name HN ))   
3.300  1.300  1.300  peak   79  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.399   ppm2  8.331   CV     1  
 
ASSI  {   80} 
   (( resid 14 and name HA ))   
   (( resid 5 and name HN ))   
3.500  1.500  1.500  peak   80  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.522   ppm2  8.331   CV     1  
 
ASSI  {   84} 
   (( resid 6 and name HN ))   
   (( resid 5 and name HA ))   
2.900  1.000  1.000  peak   84  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.399   ppm2  5.285   CV     1  
 
ASSI  {   85} 
   (( resid 6 and name HA ))   
   (( resid 5 and name HA ))   
3.800  1.800  1.800  peak   85  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.280   ppm2  5.285   CV     1  
 
ASSI  {   86} 
   (( resid 14 and name HN ))   
   (( resid 5 and name HA ))   
3.300  1.400  1.400  peak   86  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.065   ppm2  5.285   CV     1  
 
ASSI  {   87} 
   (( resid 14 and name HB ))   
   (( resid 5 and name HA ))   
4.100  2.100  1.900  peak   87  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.087   ppm2  5.285   CV     1  
 
ASSI  {   88} 
   (( resid 14 and name HG2% ))   
   (( resid 5 and name HA ))   
5.000  3.200  1.000  peak   88  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.278   ppm2  5.285   CV     1  
 
ASSI  {   89} 
   (( resid 15 and name HN ))   
   (( resid 5 and name HA ))   
3.400  1.400  1.400  peak   89  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.467   ppm2  5.285   CV     1  
 
ASSI  { 1071} 
   (( resid 106 and name HB2 ))   
   (( resid 5 and name HA ))   
0.000  0.000  6.000  peak   1071  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.953   ppm2  5.285   CV     1  
 
ASSI  {   92} 
   (( resid 6 and name HN ))   
   (( resid 5 and name HB ))   
3.600  1.600  1.600  peak   92  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.399   ppm2  3.948   CV     1  
 
ASSI  {   93} 
   (( resid 14 and name HA ))   
   (( resid 5 and name HB ))   
4.100  2.100  1.900  peak   93  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.522   ppm2  3.948   CV     1  
 
ASSI  {   94} 
   (( resid 106 and name HB3 ))   
   (( resid 5 and name HB ))   
3.900  1.900  1.900  peak   94  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.740   ppm2  3.948   CV     1  
 
ASSI  {   95} 
   (( resid 5 and name HG2% ))   
   (( resid 4 and name HA2 ))   
5.700  4.100  0.300  peak   95  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.213   ppm2  4.293   CV     1  
 
ASSI  { 1077} 
   (( resid 5 and name HG2% ))   
   (( resid 4 and name HA1 ))   
0.000  0.000  6.000  peak   1077  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.213   ppm2  3.815   CV     1  
 
ASSI  {   96} 
   (( resid 6 and name HN ))   
   (( resid 4 and name HA1 ))   
4.000  2.000  2.000  peak   96  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.399   ppm2  3.815   CV     1  
 
ASSI  { 1079} 
   (( resid 6 and name HN ))   
   (( resid 4 and name HA2 ))   
0.000  0.000  6.000  peak   1079  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.399   ppm2  4.293   CV     1  
 
ASSI  { 1085} 
   (( resid 7 and name HB3 ))   
   (( resid 6 and name HN ))   
0.000  0.000  6.000  peak   1085  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.039   ppm2  9.399   CV     1  
 
ASSI  {  101} 
   (( resid 12 and name HA ))   
   (( resid 6 and name HN ))   
3.900  1.900  1.900  peak   101  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.378   ppm2  9.399   CV     1  
 
ASSI  {  103} 
   (( resid 13 and name HN ))   
   (( resid 6 and name HN ))   
2.800  1.000  1.000  peak   103  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.542   ppm2  9.399   CV     1  
 
ASSI  {  104} 
   (( resid 13 and name HA ))   
   (( resid 6 and name HN ))   
3.500  1.500  1.500  peak   104  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.464   ppm2  9.399   CV     1  
 
ASSI  {  105} 
   (( resid  and name  ))   
   (( resid 6 and name HN ))   
3.600  1.600  1.600  peak   105  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  9.399   CV     1  
 
ASSI  {  106} 
   (( resid 14 and name HN ))   
   (( resid 6 and name HN ))   
3.100  3.100  2.900  peak   106  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.065   ppm2  9.399   CV     1  
 
ASSI  {  107} 
   (( resid 14 and name HA ))   
   (( resid 6 and name HN ))   
3.500  1.500  1.500  peak   107  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.522   ppm2  9.399   CV     1  
 
ASSI  {  109} 
   (( resid 105 and name HA ))   
   (( resid 6 and name HN ))   
4.000  2.000  2.000  peak   109  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.012   ppm2  9.399   CV     1  
 
ASSI  {  111} 
   (( resid 7 and name HN ))   
   (( resid 6 and name HA ))   
2.700  0.900  0.900  peak   111  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.796   ppm2  5.280   CV     1  
 
ASSI  { 1096} 
   (( resid 7 and name HB3 ))   
   (( resid 6 and name HA ))   
0.000  0.000  6.000  peak   1096  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.039   ppm2  5.280   CV     1  
 
ASSI  {  114} 
   (( resid  and name  ))   
   (( resid 6 and name HA ))   
4.100  2.100  1.900  peak   114  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  5.280   CV     1  
 
ASSI  {  115} 
   (( resid 105 and name HN ))   
   (( resid 6 and name HA ))   
3.800  1.800  1.800  peak   115  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.686   ppm2  5.280   CV     1  
 
ASSI  {  116} 
   (( resid 105 and name HB3 ))   
   (( resid 6 and name HA ))   
5.700  4.100  0.300  peak   116  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.605   ppm2  5.280   CV     1  
 
ASSI  { 1100} 
   (( resid 105 and name HB2 ))   
   (( resid 6 and name HA ))   
0.000  0.000  6.000  peak   1100  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.506   ppm2  5.280   CV     1  
 
ASSI  {  117} 
   (( resid  and name  ))   
   (( resid 6 and name HA ))   
6.000  6.000  0.000  peak   117  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  5.280   CV     1  
 
ASSI  { 1102} 
   (( resid 106 and name HG3 ))   
   (( resid 6 and name HA ))   
0.000  0.000  6.000  peak   1102  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.187   ppm2  5.280   CV     1  
 
ASSI  {  119} 
   (( resid 106 and name HA ))   
   (( resid 6 and name HA ))   
4.200  2.200  1.800  peak   119  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.178   ppm2  5.280   CV     1  
 
ASSI  {  120} 
   (( resid 106 and name HB3 ))   
   (( resid 6 and name HA ))   
4.400  2.500  1.600  peak   120  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.740   ppm2  5.280   CV     1  
 
ASSI  { 1105} 
   (( resid 106 and name HB2 ))   
   (( resid 6 and name HA ))   
0.000  0.000  6.000  peak   1105  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.953   ppm2  5.280   CV     1  
 
ASSI  {  125} 
   (( resid 105 and name HA ))   
   (( resid 6 and name HB3 ))   
3.600  1.600  1.600  peak   125  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.012   ppm2  2.918   CV     1  
 
ASSI  {  126} 
   (( resid 106 and name HB3 ))   
   (( resid 6 and name HB3 ))   
3.800  1.800  1.800  peak   126  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.740   ppm2  2.918   CV     1  
 
ASSI  { 1109} 
   (( resid 106 and name HB3 ))   
   (( resid 6 and name HB2 ))   
0.000  0.000  6.000  peak   1109  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.740   ppm2  3.236   CV     1  
 
ASSI  { 1110} 
   (( resid 106 and name HB2 ))   
   (( resid 6 and name HB3 ))   
0.000  0.000  6.000  peak   1110  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.953   ppm2  2.918   CV     1  
 
ASSI  { 1111} 
   (( resid 106 and name HB2 ))   
   (( resid 6 and name HB2 ))   
0.000  0.000  6.000  peak   1111  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.953   ppm2  3.236   CV     1  
 
ASSI  {  127} 
   (( resid 7 and name HA ))   
   (( resid 6 and name HB3 ))   
3.700  1.700  1.700  peak   127  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.950   ppm2  2.918   CV     1  
 
ASSI  {  130} 
   (( resid 87 and name HA ))   
   (( resid 6 and name HB2 ))   
4.300  2.300  1.700  peak   130  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.275   ppm2  3.236   CV     1  
 
ASSI  {  133} 
   (( resid 105 and name HN ))   
   (( resid 6 and name HB2 ))   
4.400  2.400  1.600  peak   133  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.686   ppm2  3.236   CV     1  
 
ASSI  {  145} 
   (( resid 13 and name HN ))   
   (( resid 7 and name HN ))   
2.800  2.800  3.200  peak   145  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.542   ppm2  9.796   CV     1  
 
ASSI  {  146} 
   (( resid  and name  ))   
   (( resid 7 and name HN ))   
3.700  3.700  2.300  peak   146  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  9.796   CV     1  
 
ASSI  {  147} 
   (( resid 104 and name HN ))   
   (( resid 7 and name HN ))   
2.800  2.800  3.200  peak   147  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.765   ppm2  9.796   CV     1  
 
ASSI  {  148} 
   (( resid 105 and name HB3 ))   
   (( resid 7 and name HN ))   
4.700  2.800  1.300  peak   148  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.605   ppm2  9.796   CV     1  
 
ASSI  {  149} 
   (( resid 105 and name HN ))   
   (( resid 7 and name HN ))   
3.100  3.100  2.900  peak   149  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.686   ppm2  9.796   CV     1  
 
ASSI  {  150} 
   (( resid 105 and name HA ))   
   (( resid 7 and name HN ))   
3.700  1.700  1.700  peak   150  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.012   ppm2  9.796   CV     1  
 
ASSI  {  152} 
   (( resid 106 and name HN ))   
   (( resid 7 and name HN ))   
2.800  1.000  1.000  peak   152  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.431   ppm2  9.796   CV     1  
 
ASSI  {  156} 
   (( resid 8 and name HN ))   
   (( resid 7 and name HA ))   
3.000  1.100  1.100  peak   156  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.699   ppm2  5.950   CV     1  
 
ASSI  {  157} 
   (( resid 8 and name HB ))   
   (( resid 7 and name HA ))   
4.200  2.200  1.800  peak   157  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.402   ppm2  5.950   CV     1  
 
ASSI  {  158} 
   (( resid 12 and name HA ))   
   (( resid 7 and name HA ))   
4.000  2.000  2.000  peak   158  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.378   ppm2  5.950   CV     1  
 
ASSI  {  159} 
   (( resid 13 and name HN ))   
   (( resid 7 and name HA ))   
3.200  1.200  1.200  peak   159  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.542   ppm2  5.950   CV     1  
 
ASSI  {  160} 
   (( resid 103 and name HB2 ))   
   (( resid 7 and name HA ))   
4.300  2.300  1.700  peak   160  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.534   ppm2  5.950   CV     1  
 
ASSI  { 1135} 
   (( resid 103 and name HB3 ))   
   (( resid 7 and name HA ))   
0.000  0.000  6.000  peak   1135  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.216   ppm2  5.950   CV     1  
 
ASSI  {  161} 
   (( resid 104 and name HN ))   
   (( resid 7 and name HA ))   
3.000  1.100  1.100  peak   161  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.765   ppm2  5.950   CV     1  
 
ASSI  {  164} 
   (( resid 105 and name HA ))   
   (( resid 7 and name HA ))   
4.000  2.000  2.000  peak   164  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.012   ppm2  5.950   CV     1  
 
ASSI  {  171} 
   (( resid 8 and name HB ))   
   (( resid 7 and name HB3 ))   
5.100  3.200  0.900  peak   171  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.402   ppm2  2.039   CV     1  
 
ASSI  { 1147} 
   (( resid 12 and name HA ))   
   (( resid 7 and name HB2 ))   
0.000  0.000  2.200  peak   1147  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.378   ppm2  1.980   CV     1  
 
ASSI  { 1150} 
   (( resid  and name  ))   
   (( resid 7 and name HB2 ))   
0.000  0.000  6.000  peak   1150  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  1.980   CV     1  
 
ASSI  { 1151} 
   (( resid  and name  ))   
   (( resid 7 and name HB3 ))   
0.000  0.000  6.000  peak   1151  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  2.039   CV     1  
 
ASSI  { 1152} 
   (( resid 13 and name HN ))   
   (( resid 7 and name HG3 ))   
0.000  0.000  6.000  peak   1152  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.542   ppm2  1.536   CV     1  
 
ASSI  { 1153} 
   (( resid  and name  ))   
   (( resid 7 and name HG3 ))   
0.000  0.000  6.000  peak   1153  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  1.536   CV     1  
 
ASSI  { 1154} 
   (( resid  and name  ))   
   (( resid 7 and name HG3 ))   
0.000  0.000  6.000  peak   1154  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  1.536   CV     1  
 
ASSI  { 1155} 
   (( resid 12 and name HN ))   
   (( resid 7 and name HG3 ))   
0.000  0.000  6.000  peak   1155  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.721   ppm2  1.536   CV     1  
 
ASSI  { 1156} 
   (( resid 12 and name HA ))   
   (( resid 7 and name HG3 ))   
0.000  0.000  6.000  peak   1156  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.378   ppm2  1.536   CV     1  
 
ASSI  {  192} 
   (( resid 103 and name HB2 ))   
   (( resid 7 and name HG3 ))   
3.500  3.500  2.500  peak   192  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.534   ppm2  1.536   CV     1  
 
ASSI  {  194} 
   (( resid 103 and name HD% ))   
   (( resid 7 and name HD3 ))   
3.200  3.200  2.800  peak   194  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.173   ppm2  1.779   CV     1  
 
ASSI  {  195} 
   (( resid 104 and name HN ))   
   (( resid 7 and name HG3 ))   
3.300  3.300  2.700  peak   195  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.765   ppm2  1.536   CV     1  
 
ASSI  {  206} 
   (( resid 12 and name HA ))   
   (( resid 8 and name HN ))   
3.600  1.600  1.600  peak   206  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.378   ppm2  8.699   CV     1  
 
ASSI  {  207} 
   (( resid 104 and name HN ))   
   (( resid 8 and name HN ))   
3.000  1.100  1.100  peak   207  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.765   ppm2  8.699   CV     1  
 
ASSI  {  209} 
   (( resid 104 and name HN ))   
   (( resid 8 and name HA ))   
3.500  3.500  2.500  peak   209  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.765   ppm2  4.436   CV     1  
 
ASSI  {  211} 
   (( resid 104 and name HN ))   
   (( resid 8 and name HB ))   
3.400  1.500  1.500  peak   211  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.765   ppm2  2.402   CV     1  
 
ASSI  {  218} 
   (( resid 27 and name HB2 ))   
   (( resid 11 and name HN ))   
2.800  2.800  3.200  peak   218  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.868   ppm2  8.491   CV     1  
 
ASSI  {  221} 
   (( resid 12 and name HN ))   
   (( resid 11 and name HA ))   
3.100  1.200  1.200  peak   221  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.721   ppm2  5.160   CV     1  
 
ASSI  {  222} 
   (( resid 27 and name HN ))   
   (( resid 11 and name HA ))   
3.400  1.400  1.400  peak   222  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.182   ppm2  5.160   CV     1  
 
ASSI  {  223} 
   (( resid 27 and name HA ))   
   (( resid 11 and name HA ))   
4.300  2.300  1.700  peak   223  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.566   ppm2  5.160   CV     1  
 
ASSI  {  226} 
   (( resid 28 and name HA ))   
   (( resid 11 and name HA ))   
3.400  3.400  2.600  peak   226  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.078   ppm2  5.160   CV     1  
 
ASSI  {  242} 
   (( resid 27 and name HN ))   
   (( resid 12 and name HN ))   
2.800  1.000  1.000  peak   242  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.182   ppm2  8.721   CV     1  
 
ASSI  {  243} 
   (( resid 27 and name HB3 ))   
   (( resid 12 and name HN ))   
4.200  2.200  1.800  peak   243  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.998   ppm2  8.721   CV     1  
 
ASSI  {  244} 
   (( resid 13 and name HN ))   
   (( resid 12 and name HA ))   
2.800  1.000  1.000  peak   244  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.542   ppm2  4.378   CV     1  
 
ASSI  { 1190} 
   (( resid  and name  ))   
   (( resid 12 and name HA ))   
0.000  0.000  6.000  peak   1190  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  4.378   CV     1  
 
ASSI  {  250} 
   (( resid 13 and name HN ))   
   (( resid 12 and name HN ))   
3.100  1.200  1.200  peak   250  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.542   ppm2  8.721   CV     1  
 
ASSI  {  251} 
   (( resid 13 and name HA ))   
   (( resid 12 and name HN ))   
3.100  3.100  2.900  peak   251  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.464   ppm2  8.721   CV     1  
 
ASSI  {  267} 
   (( resid 25 and name HE3 ))   
   (( resid 12 and name HE3 ))   
3.800  1.800  1.800  peak   267  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.182   ppm2  2.690   CV     1  
 
ASSI  {  275} 
   (( resid 27 and name HN ))   
   (( resid 13 and name HA ))   
3.300  1.400  1.400  peak   275  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.182   ppm2  5.464   CV     1  
 
ASSI  {  277} 
   (( resid 14 and name HN ))   
   (( resid 13 and name HA ))   
2.800  0.900  0.900  peak   277  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.065   ppm2  5.464   CV     1  
 
ASSI  {  278} 
   (( resid 14 and name HB ))   
   (( resid 13 and name HA ))   
4.100  2.100  1.900  peak   278  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.087   ppm2  5.464   CV     1  
 
ASSI  {  280} 
   (( resid 15 and name HN ))   
   (( resid 13 and name HA ))   
3.800  1.800  1.800  peak   280  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.467   ppm2  5.464   CV     1  
 
ASSI  {  281} 
   (( resid 25 and name HA ))   
   (( resid 13 and name HA ))   
4.000  2.000  2.000  peak   281  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.342   ppm2  5.464   CV     1  
 
ASSI  {  284} 
   (( resid 26 and name HN ))   
   (( resid 13 and name HA ))   
3.300  3.300  2.700  peak   284  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.322   ppm2  5.464   CV     1  
 
ASSI  {  285} 
   (( resid 26 and name HA ))   
   (( resid 13 and name HA ))   
3.300  1.400  1.400  peak   285  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.478   ppm2  5.464   CV     1  
 
ASSI  {  292} 
   (( resid 27 and name HN ))   
   (( resid 13 and name HG ))   
4.400  2.400  1.600  peak   292  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.182   ppm2  1.219   CV     1  
 
ASSI  {  293} 
   (( resid 25 and name HN ))   
   (( resid 13 and name HG ))   
4.100  2.100  1.900  peak   293  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.163   ppm2  1.219   CV     1  
 
ASSI  {  295} 
   (( resid 26 and name HA ))   
   (( resid 13 and name HG ))   
4.200  2.300  1.800  peak   295  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.478   ppm2  1.219   CV     1  
 
ASSI  {  301} 
   (( resid 103 and name HB2 ))   
   (( resid 13 and name HG ))   
5.700  4.100  0.300  peak   301  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.534   ppm2  1.219   CV     1  
 
ASSI  { 1213} 
   (( resid 103 and name HB3 ))   
   (( resid 13 and name HG ))   
0.000  0.000  6.000  peak   1213  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.216   ppm2  1.219   CV     1  
 
ASSI  {  302} 
   (( resid 14 and name HN ))   
   (( resid 13 and name HG ))   
4.700  2.700  1.300  peak   302  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.065   ppm2  1.219   CV     1  
 
ASSI  {  303} 
   (( resid 24 and name HA ))   
   (( resid 13 and name HG ))   
5.000  3.100  1.000  peak   303  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.034   ppm2  1.219   CV     1  
 
ASSI  {  308} 
   (( resid 15 and name HA ))   
   (( resid 14 and name HG2% ))   
4.600  2.600  1.400  peak   308  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.014   ppm2  1.278   CV     1  
 
ASSI  {  309} 
   (( resid 15 and name HB ))   
   (( resid 14 and name HG2% ))   
6.000  4.800  0.000  peak   309  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.923   ppm2  1.278   CV     1  
 
ASSI  {  310} 
   (( resid 16 and name HN ))   
   (( resid 14 and name HG2% ))   
4.300  2.300  1.700  peak   310  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.758   ppm2  1.278   CV     1  
 
ASSI  {  312} 
   (( resid 16 and name HB ))   
   (( resid 14 and name HG2% ))   
3.500  1.600  1.600  peak   312  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.997   ppm2  1.278   CV     1  
 
ASSI  {  314} 
   (( resid 15 and name HA ))   
   (( resid 14 and name HN ))   
3.200  1.300  1.300  peak   314  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.014   ppm2  9.065   CV     1  
 
ASSI  {  315} 
   (( resid 15 and name HB ))   
   (( resid 14 and name HN ))   
4.300  2.300  1.700  peak   315  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.923   ppm2  9.065   CV     1  
 
ASSI  {  316} 
   (( resid 24 and name HA ))   
   (( resid 14 and name HN ))   
3.800  1.800  1.800  peak   316  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.034   ppm2  9.065   CV     1  
 
ASSI  {  317} 
   (( resid 25 and name HA ))   
   (( resid 14 and name HN ))   
3.900  1.900  1.900  peak   317  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.342   ppm2  9.065   CV     1  
 
ASSI  {  318} 
   (( resid 25 and name HN ))   
   (( resid 14 and name HN ))   
2.700  0.900  0.900  peak   318  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.163   ppm2  9.065   CV     1  
 
ASSI  {  320} 
   (( resid 15 and name HN ))   
   (( resid 14 and name HA ))   
2.800  1.000  1.000  peak   320  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.467   ppm2  5.522   CV     1  
 
ASSI  {  321} 
   (( resid 15 and name HB ))   
   (( resid 14 and name HA ))   
5.200  3.400  0.800  peak   321  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.923   ppm2  5.522   CV     1  
 
ASSI  {  326} 
   (( resid 25 and name HA ))   
   (( resid 14 and name HB ))   
4.600  2.700  1.400  peak   326  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.342   ppm2  4.087   CV     1  
 
ASSI  {  327} 
   (( resid 15 and name HN ))   
   (( resid 14 and name HN ))   
3.000  1.100  1.100  peak   327  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.467   ppm2  9.065   CV     1  
 
ASSI  {  330} 
   (( resid 24 and name HA ))   
   (( resid 15 and name HN ))   
3.800  1.800  1.800  peak   330  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.034   ppm2  9.467   CV     1  
 
ASSI  {  331} 
   (( resid 25 and name HN ))   
   (( resid 15 and name HN ))   
3.100  3.100  2.900  peak   331  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.163   ppm2  9.467   CV     1  
 
ASSI  {  332} 
   (( resid 25 and name HB3 ))   
   (( resid 15 and name HG2% ))   
4.200  2.200  1.800  peak   332  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.074   ppm2  1.330   CV     1  
 
ASSI  { 1238} 
   (( resid 25 and name HB2 ))   
   (( resid 15 and name HG2% ))   
0.000  0.000  6.000  peak   1238  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.135   ppm2  1.330   CV     1  
 
ASSI  {  333} 
   (( resid 25 and name HB2 ))   
   (( resid 15 and name HN ))   
2.800  2.800  3.200  peak   333  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.135   ppm2  9.467   CV     1  
 
ASSI  {  335} 
   (( resid 16 and name HN ))   
   (( resid 15 and name HA ))   
2.900  1.100  1.100  peak   335  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.758   ppm2  5.014   CV     1  
 
ASSI  {  336} 
   (( resid 16 and name HB ))   
   (( resid 15 and name HA ))   
4.200  2.200  1.800  peak   336  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.997   ppm2  5.014   CV     1  
 
ASSI  {  337} 
   (( resid 22 and name HA ))   
   (( resid 15 and name HA ))   
4.500  2.600  1.500  peak   337  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.794   ppm2  5.014   CV     1  
 
ASSI  {  338} 
   (( resid 23 and name HN ))   
   (( resid 15 and name HA ))   
3.600  1.600  1.600  peak   338  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.311   ppm2  5.014   CV     1  
 
ASSI  {  339} 
   (( resid 23 and name HG2% ))   
   (( resid 15 and name HA ))   
4.500  2.500  1.500  peak   339  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.121   ppm2  5.014   CV     1  
 
ASSI  {  340} 
   (( resid 24 and name HA ))   
   (( resid 15 and name HA ))   
3.400  1.500  1.500  peak   340  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.034   ppm2  5.014   CV     1  
 
ASSI  {  341} 
   (( resid 25 and name HN ))   
   (( resid 15 and name HA ))   
3.200  1.200  1.200  peak   341  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.163   ppm2  5.014   CV     1  
 
ASSI  {  345} 
   (( resid 16 and name HN ))   
   (( resid 15 and name HB ))   
4.300  2.300  1.700  peak   345  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.758   ppm2  1.923   CV     1  
 
ASSI  {  347} 
   (( resid 24 and name HA ))   
   (( resid 15 and name HB ))   
5.000  3.200  1.000  peak   347  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.034   ppm2  1.923   CV     1  
 
ASSI  {  349} 
   (( resid 17 and name HN ))   
   (( resid 15 and name HG2% ))   
4.500  2.500  1.500  peak   349  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.073   ppm2  1.330   CV     1  
 
ASSI  {  350} 
   (( resid 17 and name HB3 ))   
   (( resid 15 and name HG2% ))   
5.500  3.800  0.500  peak   350  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.044   ppm2  1.330   CV     1  
 
ASSI  {  351} 
   (( resid 22 and name HA ))   
   (( resid 15 and name HG2% ))   
4.600  2.700  1.400  peak   351  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.794   ppm2  1.330   CV     1  
 
ASSI  {  353} 
   (( resid 24 and name HA ))   
   (( resid 15 and name HG2% ))   
4.400  2.400  1.600  peak   353  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.034   ppm2  1.330   CV     1  
 
ASSI  {  355} 
   (( resid 24 and name HG1% ))   
   (( resid 15 and name HB ))   
4.500  2.500  1.500  peak   355  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.019   ppm2  1.923   CV     1  
 
ASSI  {  356} 
   (( resid 24 and name HG2% ))   
   (( resid 15 and name HB ))   
4.600  2.600  1.400  peak   356  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.901   ppm2  1.923   CV     1  
 
ASSI  {  358} 
   (( resid  and name  ))   
   (( resid 15 and name HD1% ))   
6.000  6.000  0.000  peak   358  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  0.898   CV     1  
 
ASSI  {  359} 
   (( resid 17 and name HN ))   
   (( resid 16 and name HG2% ))   
6.000  6.000  0.000  peak   359  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.073   ppm2  0.015   CV     1  
 
ASSI  {  364} 
   (( resid 17 and name HA ))   
   (( resid 16 and name HN ))   
3.300  1.300  1.300  peak   364  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.230   ppm2  8.758   CV     1  
 
ASSI  {  365} 
   (( resid 25 and name HN ))   
   (( resid 16 and name HN ))   
2.400  2.400  3.600  peak   365  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.163   ppm2  8.758   CV     1  
 
ASSI  {  366} 
   (( resid 22 and name HA ))   
   (( resid 16 and name HN ))   
3.700  1.700  1.700  peak   366  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.794   ppm2  8.758   CV     1  
 
ASSI  {  368} 
   (( resid 23 and name HB ))   
   (( resid 16 and name HN ))   
3.500  1.500  1.500  peak   368  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.995   ppm2  8.758   CV     1  
 
ASSI  {  369} 
   (( resid 24 and name HA ))   
   (( resid 16 and name HN ))   
2.400  2.400  3.600  peak   369  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.034   ppm2  8.758   CV     1  
 
ASSI  {  371} 
   (( resid 17 and name HN ))   
   (( resid 16 and name HA ))   
3.000  1.100  1.100  peak   371  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.073   ppm2  4.730   CV     1  
 
ASSI  {  376} 
   (( resid 17 and name HN ))   
   (( resid 16 and name HB ))   
3.700  1.700  1.700  peak   376  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.073   ppm2  3.997   CV     1  
 
ASSI  {  381} 
   (( resid 22 and name HA ))   
   (( resid 17 and name HN ))   
2.500  2.500  3.500  peak   381  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.794   ppm2  9.073   CV     1  
 
ASSI  {  384} 
   (( resid 18 and name HN ))   
   (( resid 17 and name HA ))   
3.100  1.200  1.200  peak   384  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.871   ppm2  4.230   CV     1  
 
ASSI  {  385} 
   (( resid 18 and name HB3 ))   
   (( resid 17 and name HA ))   
5.300  3.500  0.700  peak   385  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.044   ppm2  4.230   CV     1  
 
ASSI  {  386} 
   (( resid 21 and name HN ))   
   (( resid 17 and name HA ))   
3.400  1.400  1.400  peak   386  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.941   ppm2  4.230   CV     1  
 
ASSI  {  388} 
   (( resid 22 and name HN ))   
   (( resid 17 and name HA ))   
3.400  3.400  2.600  peak   388  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.098   ppm2  4.230   CV     1  
 
ASSI  {  389} 
   (( resid 16 and name HG2% ))   
   (( resid 17 and name HA ))   
6.000  6.000  0.000  peak   389  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.015   ppm2  4.230   CV     1  
 
ASSI  {  390} 
   (( resid 23 and name HN ))   
   (( resid 17 and name HA ))   
3.400  1.400  1.400  peak   390  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.311   ppm2  4.230   CV     1  
 
ASSI  { 1277} 
   (( resid 18 and name HN ))   
   (( resid 17 and name HB3 ))   
0.000  0.000  6.000  peak   1277  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.871   ppm2  1.044   CV     1  
 
ASSI  { 1278} 
   (( resid 18 and name HA ))   
   (( resid 17 and name HB3 ))   
0.000  0.000  6.000  peak   1278  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.226   ppm2  1.044   CV     1  
 
ASSI  { 1279} 
   (( resid 19 and name HN ))   
   (( resid 17 and name HB3 ))   
0.000  0.000  6.000  peak   1279  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.017   ppm2  1.044   CV     1  
 
ASSI  { 1281} 
   (( resid 20 and name HA ))   
   (( resid 17 and name HB3 ))   
0.000  0.000  6.000  peak   1281  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.037   ppm2  1.044   CV     1  
 
ASSI  { 1282} 
   (( resid 21 and name HN ))   
   (( resid 17 and name HB3 ))   
0.000  0.000  6.000  peak   1282  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.941   ppm2  1.044   CV     1  
 
ASSI  { 1283} 
   (( resid 21 and name HA ))   
   (( resid 17 and name HB3 ))   
0.000  0.000  6.000  peak   1283  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.930   ppm2  1.044   CV     1  
 
ASSI  {  399} 
   (( resid 22 and name HN ))   
   (( resid 17 and name HB3 ))   
4.400  2.400  1.600  peak   399  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.098   ppm2  1.044   CV     1  
 
ASSI  {  401} 
   (( resid 16 and name HG2% ))   
   (( resid 17 and name HB3 ))   
6.000  6.000  0.000  peak   401  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.015   ppm2  1.044   CV     1  
 
ASSI  {  406} 
   (( resid 19 and name HN ))   
   (( resid 18 and name HN ))   
3.000  1.100  1.100  peak   406  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.017   ppm2  8.871   CV     1  
 
ASSI  {  407} 
   (( resid 19 and name HA2 ))   
   (( resid 18 and name HN ))   
3.700  1.700  1.700  peak   407  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.773   ppm2  8.871   CV     1  
 
ASSI  {  408} 
   (( resid 20 and name HN ))   
   (( resid 18 and name HN ))   
2.900  1.000  1.000  peak   408  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.857   ppm2  8.871   CV     1  
 
ASSI  {  409} 
   (( resid 21 and name HN ))   
   (( resid 18 and name HN ))   
2.900  1.000  1.000  peak   409  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.941   ppm2  8.871   CV     1  
 
ASSI  {  410} 
   (( resid 21 and name HA ))   
   (( resid 18 and name HN ))   
3.600  1.600  1.600  peak   410  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.930   ppm2  8.871   CV     1  
 
ASSI  {  412} 
   (( resid 22 and name HA ))   
   (( resid 18 and name HN ))   
2.500  2.500  3.500  peak   412  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.794   ppm2  8.871   CV     1  
 
ASSI  {  414} 
   (( resid 19 and name HN ))   
   (( resid 18 and name HA ))   
3.200  1.300  1.300  peak   414  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.017   ppm2  4.226   CV     1  
 
ASSI  {  415} 
   (( resid 20 and name HN ))   
   (( resid 18 and name HA ))   
3.700  1.800  1.800  peak   415  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.857   ppm2  4.226   CV     1  
 
ASSI  { 1299} 
   (( resid 21 and name HN ))   
   (( resid 18 and name HG3 ))   
0.000  0.000  6.000  peak   1299  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.941   ppm2  1.836   CV     1  
 
ASSI  {  424} 
   (( resid 20 and name HA ))   
   (( resid 19 and name HN ))   
3.300  3.300  2.700  peak   424  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.037   ppm2  9.017   CV     1  
 
ASSI  { 1304} 
   (( resid 20 and name HA ))   
   (( resid 19 and name HA1 ))   
0.000  0.000  6.000  peak   1304  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.037   ppm2  4.113   CV     1  
 
ASSI  {  435} 
   (( resid 18 and name HN ))   
   (( resid 20 and name HA ))   
3.400  1.500  1.500  peak   435  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.871   ppm2  5.037   CV     1  
 
ASSI  {  436} 
   (( resid 21 and name HN ))   
   (( resid 20 and name HA ))   
3.000  1.100  1.100  peak   436  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.941   ppm2  5.037   CV     1  
 
ASSI  {  456} 
   (( resid 22 and name HA ))   
   (( resid 21 and name HN ))   
3.200  1.300  1.300  peak   456  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.794   ppm2  7.941   CV     1  
 
ASSI  {  459} 
   (( resid 38 and name HA ))   
   (( resid 21 and name HN ))   
3.500  1.500  1.500  peak   459  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.359   ppm2  7.941   CV     1  
 
ASSI  {  461} 
   (( resid 22 and name HN ))   
   (( resid 21 and name HA ))   
2.900  1.000  1.000  peak   461  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.098   ppm2  4.930   CV     1  
 
ASSI  {  462} 
   (( resid 22 and name HA ))   
   (( resid 21 and name HA ))   
4.000  2.000  2.000  peak   462  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.794   ppm2  4.930   CV     1  
 
ASSI  {  463} 
   (( resid 22 and name HB2 ))   
   (( resid 21 and name HA ))   
5.500  3.800  0.500  peak   463  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.123   ppm2  4.930   CV     1  
 
ASSI  {  468} 
   (( resid 38 and name HA ))   
   (( resid 21 and name HA ))   
3.200  1.300  1.300  peak   468  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.359   ppm2  4.930   CV     1  
 
ASSI  {  469} 
   (( resid 39 and name HN ))   
   (( resid 21 and name HA ))   
3.700  1.700  1.700  peak   469  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.826   ppm2  4.930   CV     1  
 
ASSI  {  470} 
   (( resid 39 and name HD1% ))   
   (( resid 22 and name HA ))   
3.900  1.900  1.900  peak   470  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.749   ppm2  4.794   CV     1  
 
ASSI  {  475} 
   (( resid 39 and name HN ))   
   (( resid 22 and name HN ))   
3.100  1.200  1.200  peak   475  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.826   ppm2  9.098   CV     1  
 
ASSI  {  477} 
   (( resid 37 and name HN ))   
   (( resid 23 and name HG2% ))   
3.500  3.500  2.500  peak   477  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.317   ppm2  1.121   CV     1  
 
ASSI  { 1328} 
   (( resid 25 and name HB2 ))   
   (( resid 23 and name HG2% ))   
0.000  0.000  6.000  peak   1328  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.135   ppm2  1.121   CV     1  
 
ASSI  {  479} 
   (( resid 34 and name HA ))   
   (( resid 23 and name HG2% ))   
4.900  3.000  1.100  peak   479  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.428   ppm2  1.121   CV     1  
 
ASSI  {  481} 
   (( resid 35 and name HN ))   
   (( resid 23 and name HG2% ))   
4.200  2.200  1.800  peak   481  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.146   ppm2  1.121   CV     1  
 
ASSI  {  482} 
   (( resid 37 and name HE% ))   
   (( resid 24 and name HG1% ))   
6.000  4.500  0.000  peak   482  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.254   ppm2  1.019   CV     1  
 
ASSI  {  484} 
   (( resid 35 and name HN ))   
   (( resid 24 and name HG1% ))   
4.600  2.700  1.400  peak   484  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.146   ppm2  1.019   CV     1  
 
ASSI  {  486} 
   (( resid 23 and name HA ))   
   (( resid 24 and name HG2% ))   
5.100  3.200  0.900  peak   486  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.806   ppm2  0.901   CV     1  
 
ASSI  {  487} 
   (( resid 25 and name HN ))   
   (( resid 24 and name HG2% ))   
5.300  3.500  0.700  peak   487  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.163   ppm2  0.901   CV     1  
 
ASSI  {  488} 
   (( resid 37 and name HE% ))   
   (( resid 24 and name HG2% ))   
4.300  2.300  1.700  peak   488  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.254   ppm2  0.901   CV     1  
 
ASSI  {  491} 
   (( resid 37 and name HN ))   
   (( resid 21 and name HA ))   
3.500  1.500  1.500  peak   491  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.317   ppm2  4.930   CV     1  
 
ASSI  {  494} 
   (( resid 38 and name HB3 ))   
   (( resid 21 and name HA ))   
4.400  2.400  1.600  peak   494  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.910   ppm2  4.930   CV     1  
 
ASSI  {  503} 
   (( resid  and name  ))   
   (( resid 21 and name HA ))   
4.400  2.500  1.600  peak   503  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  4.930   CV     1  
 
ASSI  {  514} 
   (( resid 37 and name HN ))   
   (( resid 22 and name HN ))   
2.700  0.900  0.900  peak   514  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.317   ppm2  9.098   CV     1  
 
ASSI  {  515} 
   (( resid 38 and name HA ))   
   (( resid 22 and name HN ))   
3.000  1.100  1.100  peak   515  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.359   ppm2  9.098   CV     1  
 
ASSI  {  521} 
   (( resid 23 and name HN ))   
   (( resid 22 and name HA ))   
3.000  1.100  1.100  peak   521  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.311   ppm2  4.794   CV     1  
 
ASSI  {  526} 
   (( resid 37 and name HN ))   
   (( resid 22 and name HB2 ))   
4.000  2.000  2.000  peak   526  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.317   ppm2  1.123   CV     1  
 
ASSI  {  532} 
   (( resid 36 and name HA ))   
   (( resid 23 and name HN ))   
3.700  1.700  1.700  peak   532  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.131   ppm2  8.311   CV     1  
 
ASSI  {  533} 
   (( resid 36 and name HG1% ))   
   (( resid 23 and name HA ))   
6.000  4.700  0.000  peak   533  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.007   ppm2  4.806   CV     1  
 
ASSI  {  535} 
   (( resid 24 and name HN ))   
   (( resid 23 and name HA ))   
2.800  1.000  1.000  peak   535  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.432   ppm2  4.806   CV     1  
 
ASSI  {  536} 
   (( resid 24 and name HA ))   
   (( resid 23 and name HA ))   
3.900  1.900  1.900  peak   536  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.034   ppm2  4.806   CV     1  
 
ASSI  {  537} 
   (( resid 24 and name HB ))   
   (( resid 23 and name HA ))   
5.000  3.100  1.000  peak   537  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.373   ppm2  4.806   CV     1  
 
ASSI  {  539} 
   (( resid 35 and name HN ))   
   (( resid 23 and name HA ))   
3.600  1.600  1.600  peak   539  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.146   ppm2  4.806   CV     1  
 
ASSI  {  540} 
   (( resid 36 and name HN ))   
   (( resid 23 and name HA ))   
3.700  1.700  1.700  peak   540  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.168   ppm2  4.806   CV     1  
 
ASSI  {  541} 
   (( resid 36 and name HA ))   
   (( resid 23 and name HA ))   
3.100  1.200  1.200  peak   541  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.131   ppm2  4.806   CV     1  
 
ASSI  {  542} 
   (( resid 36 and name HB ))   
   (( resid 23 and name HA ))   
5.000  3.100  1.000  peak   542  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.965   ppm2  4.806   CV     1  
 
ASSI  {  544} 
   (( resid 37 and name HN ))   
   (( resid 23 and name HA ))   
3.500  1.500  1.500  peak   544  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.317   ppm2  4.806   CV     1  
 
ASSI  {  547} 
   (( resid 24 and name HN ))   
   (( resid 23 and name HB ))   
3.900  1.900  1.900  peak   547  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.432   ppm2  3.995   CV     1  
 
ASSI  {  548} 
   (( resid 36 and name HA ))   
   (( resid 23 and name HB ))   
3.600  1.600  1.600  peak   548  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.131   ppm2  3.995   CV     1  
 
ASSI  {  549} 
   (( resid 36 and name HB ))   
   (( resid 23 and name HB ))   
4.300  2.300  1.700  peak   549  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.965   ppm2  3.995   CV     1  
 
ASSI  { 1371} 
   (( resid 34 and name HB3 ))   
   (( resid 23 and name HA ))   
0.000  0.000  6.000  peak   1371  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.560   ppm2  4.806   CV     1  
 
ASSI  {  558} 
   (( resid 36 and name HG1% ))   
   (( resid 24 and name HN ))   
5.300  3.500  0.700  peak   558  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.007   ppm2  9.432   CV     1  
 
ASSI  {  563} 
   (( resid 34 and name HA ))   
   (( resid 24 and name HN ))   
3.700  1.700  1.700  peak   563  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.428   ppm2  9.432   CV     1  
 
ASSI  {  564} 
   (( resid 34 and name HB3 ))   
   (( resid 24 and name HN ))   
3.900  1.900  1.900  peak   564  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.560   ppm2  9.432   CV     1  
 
ASSI  {  566} 
   (( resid 35 and name HN ))   
   (( resid 24 and name HN ))   
2.600  0.900  0.900  peak   566  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.146   ppm2  9.432   CV     1  
 
ASSI  {  567} 
   (( resid 35 and name HB ))   
   (( resid 24 and name HN ))   
3.300  1.400  1.400  peak   567  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.361   ppm2  9.432   CV     1  
 
ASSI  {  568} 
   (( resid 36 and name HA ))   
   (( resid 24 and name HN ))   
3.600  1.700  1.700  peak   568  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.131   ppm2  9.432   CV     1  
 
ASSI  {  569} 
   (( resid 36 and name HB ))   
   (( resid 24 and name HN ))   
4.500  2.600  1.500  peak   569  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.965   ppm2  9.432   CV     1  
 
ASSI  {  571} 
   (( resid 37 and name HN ))   
   (( resid 24 and name HN ))   
3.700  1.700  1.700  peak   571  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.317   ppm2  9.432   CV     1  
 
ASSI  {  575} 
   (( resid 25 and name HN ))   
   (( resid 24 and name HA ))   
2.900  1.000  1.000  peak   575  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.163   ppm2  5.034   CV     1  
 
ASSI  {  578} 
   (( resid 37 and name HE% ))   
   (( resid 24 and name HB ))   
3.600  1.600  1.600  peak   578  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.254   ppm2  2.373   CV     1  
 
ASSI  {  581} 
   (( resid 25 and name HN ))   
   (( resid 24 and name HB ))   
4.100  2.100  1.900  peak   581  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.163   ppm2  2.373   CV     1  
 
ASSI  {  582} 
   (( resid 26 and name HN ))   
   (( resid 24 and name HB ))   
3.700  1.800  1.800  peak   582  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.322   ppm2  2.373   CV     1  
 
ASSI  {  583} 
   (( resid 35 and name HN ))   
   (( resid 24 and name HB ))   
3.600  1.600  1.600  peak   583  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.146   ppm2  2.373   CV     1  
 
ASSI  {  584} 
   (( resid 35 and name HB ))   
   (( resid 24 and name HB ))   
4.000  2.000  2.000  peak   584  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.361   ppm2  2.373   CV     1  
 
ASSI  {  588} 
   (( resid 26 and name HA ))   
   (( resid 25 and name HA ))   
4.000  2.000  2.000  peak   588  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.478   ppm2  5.342   CV     1  
 
ASSI  {  591} 
   (( resid 34 and name HA ))   
   (( resid 25 and name HA ))   
3.000  1.100  1.100  peak   591  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.428   ppm2  5.342   CV     1  
 
ASSI  {  593} 
   (( resid 35 and name HN ))   
   (( resid 25 and name HB3 ))   
3.100  3.100  2.900  peak   593  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.146   ppm2  2.074   CV     1  
 
ASSI  { 1393} 
   (( resid 35 and name HN ))   
   (( resid 25 and name HB2 ))   
0.000  0.000  6.000  peak   1393  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.146   ppm2  2.135   CV     1  
 
ASSI  {  599} 
   (( resid 34 and name HA ))   
   (( resid 26 and name HN ))   
3.200  1.200  1.200  peak   599  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.428   ppm2  9.322   CV     1  
 
ASSI  {  602} 
   (( resid 27 and name HN ))   
   (( resid 26 and name HA ))   
3.000  1.100  1.100  peak   602  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.182   ppm2  4.478   CV     1  
 
ASSI  {  603} 
   (( resid 27 and name HA ))   
   (( resid 26 and name HA ))   
4.000  2.000  2.000  peak   603  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.566   ppm2  4.478   CV     1  
 
ASSI  {  614} 
   (( resid 28 and name HN ))   
   (( resid 27 and name HA ))   
3.000  1.200  1.200  peak   614  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.675   ppm2  5.566   CV     1  
 
ASSI  {  615} 
   (( resid 28 and name HB2 ))   
   (( resid 27 and name HA ))   
3.700  1.700  1.700  peak   615  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.112   ppm2  5.566   CV     1  
 
ASSI  {  616} 
   (( resid 32 and name HA ))   
   (( resid 27 and name HA ))   
3.400  1.400  1.400  peak   616  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.619   ppm2  5.566   CV     1  
 
ASSI  {  617} 
   (( resid 32 and name HB3 ))   
   (( resid 27 and name HA ))   
4.000  2.000  2.000  peak   617  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.776   ppm2  5.566   CV     1  
 
ASSI  {  618} 
   (( resid 33 and name HN ))   
   (( resid 27 and name HA ))   
3.100  1.200  1.200  peak   618  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.802   ppm2  5.566   CV     1  
 
ASSI  {  619} 
   (( resid 33 and name HG2% ))   
   (( resid 27 and name HB3 ))   
3.700  3.700  2.300  peak   619  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.610   ppm2  3.998   CV     1  
 
ASSI  { 1410} 
   (( resid 33 and name HG2% ))   
   (( resid 27 and name HB2 ))   
0.000  0.000  6.000  peak   1410  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.610   ppm2  3.868   CV     1  
 
ASSI  { 1416} 
   (( resid 26 and name HA ))   
   (( resid 27 and name HB3 ))   
0.000  0.000  6.000  peak   1416  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.478   ppm2  3.998   CV     1  
 
ASSI  { 1418} 
   (( resid 32 and name HA ))   
   (( resid 27 and name HB2 ))   
0.000  0.000  6.000  peak   1418  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.619   ppm2  3.868   CV     1  
 
ASSI  {  624} 
   (( resid 26 and name HA ))   
   (( resid 27 and name HB2 ))   
4.700  2.700  1.300  peak   624  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.478   ppm2  3.868   CV     1  
 
ASSI  {  625} 
   (( resid 33 and name HN ))   
   (( resid 27 and name HB2 ))   
2.800  2.800  3.200  peak   625  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.802   ppm2  3.868   CV     1  
 
ASSI  {  626} 
   (( resid 28 and name HN ))   
   (( resid 27 and name HB2 ))   
3.900  1.900  1.900  peak   626  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.675   ppm2  3.868   CV     1  
 
ASSI  {  632} 
   (( resid 30 and name HN ))   
   (( resid 28 and name HN ))   
3.200  1.300  1.300  peak   632  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.154   ppm2  8.675   CV     1  
 
ASSI  {  633} 
   (( resid 32 and name HA ))   
   (( resid 28 and name HN ))   
3.100  1.200  1.200  peak   633  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.619   ppm2  8.675   CV     1  
 
ASSI  {  637} 
   (( resid 29 and name HN ))   
   (( resid 28 and name HA ))   
3.100  1.200  1.200  peak   637  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.146   ppm2  5.078   CV     1  
 
ASSI  {  639} 
   (( resid 30 and name HN ))   
   (( resid 28 and name HA ))   
3.600  1.600  1.600  peak   639  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.154   ppm2  5.078   CV     1  
 
ASSI  {  640} 
   (( resid 31 and name HN ))   
   (( resid 28 and name HB3 ))   
3.500  1.600  1.600  peak   640  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.625   ppm2  4.157   CV     1  
 
ASSI  { 1429} 
   (( resid 31 and name HN ))   
   (( resid 28 and name HB2 ))   
0.000  0.000  6.000  peak   1429  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.625   ppm2  4.112   CV     1  
 
ASSI  {  643} 
   (( resid 30 and name HN ))   
   (( resid 29 and name HN ))   
3.000  1.100  1.100  peak   643  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.154   ppm2  8.146   CV     1  
 
ASSI  {  644} 
   (( resid 31 and name HN ))   
   (( resid 29 and name HA ))   
4.100  2.100  1.900  peak   644  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.625   ppm2  4.376   CV     1  
 
ASSI  {  646} 
   (( resid 30 and name HN ))   
   (( resid 29 and name HA ))   
3.400  1.400  1.400  peak   646  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.154   ppm2  4.376   CV     1  
 
ASSI  {  647} 
   (( resid 30 and name HA ))   
   (( resid 29 and name HB3 ))   
4.100  2.100  1.900  peak   647  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.617   ppm2  2.685   CV     1  
 
ASSI  {  652} 
   (( resid 30 and name HB2 ))   
   (( resid 29 and name HB3 ))   
4.100  2.100  1.900  peak   652  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.104   ppm2  2.685   CV     1  
 
ASSI  { 1436} 
   (( resid 30 and name HB3 ))   
   (( resid 29 and name HB3 ))   
0.000  0.000  6.000  peak   1436  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.360   ppm2  2.685   CV     1  
 
ASSI  { 1437} 
   (( resid 31 and name HN ))   
   (( resid 29 and name HB3 ))   
0.000  0.000  6.000  peak   1437  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.625   ppm2  2.685   CV     1  
 
ASSI  {  658} 
   (( resid 31 and name HN ))   
   (( resid 30 and name HN ))   
3.000  1.100  1.100  peak   658  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.625   ppm2  8.154   CV     1  
 
ASSI  {  659} 
   (( resid 31 and name HA ))   
   (( resid 30 and name HN ))   
3.600  1.600  1.600  peak   659  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.641   ppm2  8.154   CV     1  
 
ASSI  {  665} 
   (( resid 31 and name HN ))   
   (( resid 30 and name HA ))   
3.400  1.500  1.500  peak   665  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.625   ppm2  4.617   CV     1  
 
ASSI  {  672} 
   (( resid 32 and name HA ))   
   (( resid 31 and name HA ))   
4.100  2.100  1.900  peak   672  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.619   ppm2  4.641   CV     1  
 
ASSI  {  676} 
   (( resid 32 and name HN ))   
   (( resid 31 and name HA ))   
3.100  1.200  1.200  peak   676  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.691   ppm2  4.641   CV     1  
 
ASSI  { 1445} 
   (( resid 32 and name HN ))   
   (( resid 31 and name HB3 ))   
0.000  0.000  6.000  peak   1445  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.691   ppm2  1.873   CV     1  
 
ASSI  { 1446} 
   (( resid 32 and name HA ))   
   (( resid 31 and name HB3 ))   
0.000  0.000  6.000  peak   1446  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.619   ppm2  1.873   CV     1  
 
ASSI  {  681} 
   (( resid 34 and name HN ))   
   (( resid 33 and name HG2% ))   
4.300  2.300  1.700  peak   681  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.626   ppm2  1.610   CV     1  
 
ASSI  {  683} 
   (( resid 47 and name HA ))   
   (( resid 33 and name HG13 ))   
3.700  3.700  2.300  peak   683  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.316   ppm2  1.043   CV     1  
 
ASSI  {  685} 
   (( resid 47 and name HN ))   
   (( resid 33 and name HD1% ))   
4.700  2.800  1.300  peak   685  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.081   ppm2  0.948   CV     1  
 
ASSI  {  688} 
   (( resid 37 and name HE% ))   
   (( resid 35 and name HG1% ))   
4.100  2.100  1.900  peak   688  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.254   ppm2  1.199   CV     1  
 
ASSI  {  693} 
   (( resid 37 and name HN ))   
   (( resid 36 and name HG1% ))   
5.000  3.200  1.000  peak   693  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.317   ppm2  1.007   CV     1  
 
ASSI  {  695} 
   (( resid 43 and name HE% ))   
   (( resid 36 and name HG1% ))   
3.600  1.600  1.600  peak   695  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.053   ppm2  1.007   CV     1  
 
ASSI  { 1455} 
   (( resid 57 and name HB3 ))   
   (( resid 37 and name HE% ))   
0.000  0.000  6.000  peak   1455  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.528   ppm2  6.254   CV     1  
 
ASSI  {  697} 
   (( resid 43 and name HE% ))   
   (( resid 37 and name HE% ))   
3.600  3.600  2.400  peak   697  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.053   ppm2  6.254   CV     1  
 
ASSI  {  703} 
   (( resid 33 and name HB ))   
   (( resid 32 and name HA ))   
4.500  2.600  1.500  peak   703  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.982   ppm2  5.619   CV     1  
 
ASSI  {  704} 
   (( resid 33 and name HN ))   
   (( resid 32 and name HA ))   
3.100  1.200  1.200  peak   704  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.802   ppm2  5.619   CV     1  
 
ASSI  {  706} 
   (( resid 33 and name HG2% ))   
   (( resid 32 and name HB3 ))   
3.900  1.900  1.900  peak   706  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.610   ppm2  2.776   CV     1  
 
ASSI  {  707} 
   (( resid 33 and name HN ))   
   (( resid 32 and name HB3 ))   
4.000  2.000  2.000  peak   707  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.802   ppm2  2.776   CV     1  
 
ASSI  {  709} 
   (( resid 34 and name HA ))   
   (( resid 33 and name HA ))   
4.000  2.000  2.000  peak   709  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.428   ppm2  4.636   CV     1  
 
ASSI  {  710} 
   (( resid 34 and name HN ))   
   (( resid 33 and name HB ))   
4.400  2.400  1.600  peak   710  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.626   ppm2  1.982   CV     1  
 
ASSI  {  715} 
   (( resid 35 and name HN ))   
   (( resid 34 and name HA ))   
2.900  1.000  1.000  peak   715  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.146   ppm2  5.428   CV     1  
 
ASSI  {  716} 
   (( resid 35 and name HB ))   
   (( resid 34 and name HA ))   
4.600  2.600  1.400  peak   716  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.361   ppm2  5.428   CV     1  
 
ASSI  {  717} 
   (( resid 35 and name HG2% ))   
   (( resid 34 and name HB3 ))   
4.000  2.000  2.000  peak   717  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.970   ppm2  2.560   CV     1  
 
ASSI  { 1467} 
   (( resid 35 and name HG2% ))   
   (( resid 34 and name HB2 ))   
0.000  0.000  6.000  peak   1467  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.970   ppm2  2.627   CV     1  
 
ASSI  {  719} 
   (( resid 35 and name HA ))   
   (( resid 34 and name HB3 ))   
4.600  2.700  1.400  peak   719  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.605   ppm2  2.560   CV     1  
 
ASSI  {  720} 
   (( resid 36 and name HN ))   
   (( resid 34 and name HB3 ))   
2.900  2.900  3.100  peak   720  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.168   ppm2  2.560   CV     1  
 
ASSI  {  721} 
   (( resid 36 and name HA ))   
   (( resid 34 and name HB3 ))   
3.100  3.100  2.900  peak   721  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.131   ppm2  2.560   CV     1  
 
ASSI  {  722} 
   (( resid 36 and name HB ))   
   (( resid 34 and name HB3 ))   
3.700  1.700  1.700  peak   722  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.965   ppm2  2.560   CV     1  
 
ASSI  {  723} 
   (( resid 36 and name HG1% ))   
   (( resid 35 and name HN ))   
3.500  3.500  2.500  peak   723  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.007   ppm2  9.146   CV     1  
 
ASSI  {  727} 
   (( resid 36 and name HA ))   
   (( resid 35 and name HN ))   
3.300  1.400  1.400  peak   727  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.131   ppm2  9.146   CV     1  
 
ASSI  {  729} 
   (( resid 37 and name HE% ))   
   (( resid 35 and name HA ))   
2.900  2.900  3.100  peak   729  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.254   ppm2  4.605   CV     1  
 
ASSI  {  731} 
   (( resid 36 and name HN ))   
   (( resid 35 and name HA ))   
3.000  1.100  1.100  peak   731  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.168   ppm2  4.605   CV     1  
 
ASSI  {  732} 
   (( resid 36 and name HB ))   
   (( resid 35 and name HA ))   
5.200  3.300  0.800  peak   732  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.965   ppm2  4.605   CV     1  
 
ASSI  {  733} 
   (( resid 43 and name HE% ))   
   (( resid 35 and name HA ))   
2.800  2.800  3.200  peak   733  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.053   ppm2  4.605   CV     1  
 
ASSI  {  737} 
   (( resid 36 and name HN ))   
   (( resid 35 and name HB ))   
4.100  2.100  1.900  peak   737  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.168   ppm2  2.361   CV     1  
 
ASSI  {  739} 
   (( resid 43 and name HE% ))   
   (( resid 36 and name HN ))   
2.600  2.600  3.400  peak   739  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.053   ppm2  8.168   CV     1  
 
ASSI  {  747} 
   (( resid 37 and name HN ))   
   (( resid 36 and name HA ))   
2.900  1.100  1.100  peak   747  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.317   ppm2  5.131   CV     1  
 
ASSI  {  748} 
   (( resid 37 and name HA ))   
   (( resid 36 and name HA ))   
4.000  2.000  2.000  peak   748  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.809   ppm2  5.131   CV     1  
 
ASSI  {  749} 
   (( resid 37 and name HB2 ))   
   (( resid 36 and name HA ))   
5.100  3.300  0.900  peak   749  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.588   ppm2  5.131   CV     1  
 
ASSI  {  754} 
   (( resid 37 and name HN ))   
   (( resid 36 and name HB ))   
4.700  2.800  1.300  peak   754  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.317   ppm2  1.965   CV     1  
 
ASSI  {  757} 
   (( resid 43 and name HE% ))   
   (( resid 37 and name HN ))   
2.600  2.600  3.400  peak   757  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.053   ppm2  8.317   CV     1  
 
ASSI  {  762} 
   (( resid 43 and name HE% ))   
   (( resid 37 and name HA ))   
3.400  1.500  1.500  peak   762  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.053   ppm2  4.809   CV     1  
 
ASSI  {  763} 
   (( resid 38 and name HN ))   
   (( resid 37 and name HA ))   
3.000  1.100  1.100  peak   763  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.417   ppm2  4.809   CV     1  
 
ASSI  {  764} 
   (( resid 38 and name HA ))   
   (( resid 37 and name HA ))   
3.900  1.900  1.900  peak   764  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.359   ppm2  4.809   CV     1  
 
ASSI  {  765} 
   (( resid 38 and name HB2 ))   
   (( resid 37 and name HA ))   
4.800  2.800  1.200  peak   765  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.024   ppm2  4.809   CV     1  
 
ASSI  { 1495} 
   (( resid 38 and name HB3 ))   
   (( resid 37 and name HA ))   
0.000  0.000  6.000  peak   1495  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.910   ppm2  4.809   CV     1  
 
ASSI  { 1501} 
   (( resid 38 and name HA ))   
   (( resid 37 and name HB3 ))   
0.000  0.000  6.000  peak   1501  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.359   ppm2  2.676   CV     1  
 
ASSI  { 1505} 
   (( resid 40 and name HN ))   
   (( resid 37 and name HB3 ))   
0.000  0.000  6.000  peak   1505  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.223   ppm2  2.676   CV     1  
 
ASSI  { 1507} 
   (( resid 41 and name HN ))   
   (( resid 37 and name HB3 ))   
0.000  0.000  6.000  peak   1507  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.877   ppm2  2.676   CV     1  
 
ASSI  { 1509} 
   (( resid 41 and name HB ))   
   (( resid 37 and name HB3 ))   
0.000  0.000  6.000  peak   1509  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.378   ppm2  2.676   CV     1  
 
ASSI  {  780} 
   (( resid 43 and name HE% ))   
   (( resid 38 and name HN ))   
3.200  1.300  1.300  peak   780  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.053   ppm2  9.417   CV     1  
 
ASSI  {  784} 
   (( resid 40 and name HN ))   
   (( resid 38 and name HN ))   
2.900  2.900  3.100  peak   784  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.223   ppm2  9.417   CV     1  
 
ASSI  {  785} 
   (( resid 41 and name HN ))   
   (( resid 38 and name HN ))   
2.900  1.100  1.100  peak   785  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.877   ppm2  9.417   CV     1  
 
ASSI  {  786} 
   (( resid 41 and name HB ))   
   (( resid 38 and name HN ))   
3.400  1.400  1.400  peak   786  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.378   ppm2  9.417   CV     1  
 
ASSI  {  788} 
   (( resid 41 and name HG1% ))   
   (( resid 38 and name HN ))   
4.400  2.400  1.600  peak   788  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.216   ppm2  9.417   CV     1  
 
ASSI  {  794} 
   (( resid 39 and name HN ))   
   (( resid 38 and name HA ))   
2.900  1.000  1.000  peak   794  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.826   ppm2  5.359   CV     1  
 
ASSI  {  796} 
   (( resid 41 and name HB ))   
   (( resid 38 and name HB3 ))   
4.800  2.800  1.200  peak   796  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.378   ppm2  1.910   CV     1  
 
ASSI  {  802} 
   (( resid 59 and name HN ))   
   (( resid 39 and name HN ))   
2.400  2.400  3.600  peak   802  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.862   ppm2  8.826   CV     1  
 
ASSI  {  806} 
   (( resid 59 and name HN ))   
   (( resid 39 and name HA ))   
3.200  1.200  1.200  peak   806  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.862   ppm2  4.593   CV     1  
 
ASSI  {  808} 
   (( resid 40 and name HN ))   
   (( resid 39 and name HA ))   
3.000  1.100  1.100  peak   808  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.223   ppm2  4.593   CV     1  
 
ASSI  {  810} 
   (( resid 41 and name HN ))   
   (( resid 39 and name HA ))   
4.000  2.000  2.000  peak   810  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.877   ppm2  4.593   CV     1  
 
ASSI  {  811} 
   (( resid 57 and name HN ))   
   (( resid 39 and name HA ))   
3.800  1.800  1.800  peak   811  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.142   ppm2  4.593   CV     1  
 
ASSI  {  813} 
   (( resid 58 and name HA ))   
   (( resid 39 and name HA ))   
3.900  1.900  1.900  peak   813  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.670   ppm2  4.593   CV     1  
 
ASSI  {  830} 
   (( resid 59 and name HB2 ))   
   (( resid 40 and name HN ))   
3.100  3.100  2.900  peak   830  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.301   ppm2  9.223   CV     1  
 
ASSI  { 1535} 
   (( resid 59 and name HB3 ))   
   (( resid 40 and name HN ))   
0.000  0.000  6.000  peak   1535  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.136   ppm2  9.223   CV     1  
 
ASSI  {  831} 
   (( resid 41 and name HB ))   
   (( resid 40 and name HN ))   
4.000  2.000  2.000  peak   831  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.378   ppm2  9.223   CV     1  
 
ASSI  {  833} 
   (( resid 57 and name HN ))   
   (( resid 40 and name HN ))   
2.900  1.000  1.000  peak   833  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.142   ppm2  9.223   CV     1  
 
ASSI  {  834} 
   (( resid 57 and name HA ))   
   (( resid 40 and name HN ))   
3.300  3.300  2.700  peak   834  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.340   ppm2  9.223   CV     1  
 
ASSI  {  835} 
   (( resid 57 and name HB2 ))   
   (( resid 40 and name HN ))   
3.400  1.400  1.400  peak   835  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.453   ppm2  9.223   CV     1  
 
ASSI  {  836} 
   (( resid 58 and name HN ))   
   (( resid 40 and name HN ))   
3.100  3.100  2.900  peak   836  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.257   ppm2  9.223   CV     1  
 
ASSI  {  837} 
   (( resid 58 and name HA ))   
   (( resid 40 and name HN ))   
3.200  1.300  1.300  peak   837  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.670   ppm2  9.223   CV     1  
 
ASSI  {  838} 
   (( resid 58 and name HB ))   
   (( resid 40 and name HN ))   
4.200  2.200  1.800  peak   838  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.282   ppm2  9.223   CV     1  
 
ASSI  {  839} 
   (( resid 58 and name HG2% ))   
   (( resid 40 and name HN ))   
5.000  3.100  1.000  peak   839  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.247   ppm2  9.223   CV     1  
 
ASSI  {  840} 
   (( resid 59 and name HN ))   
   (( resid 40 and name HA1 ))   
4.100  2.100  1.900  peak   840  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.862   ppm2  3.624   CV     1  
 
ASSI  { 1546} 
   (( resid 59 and name HN ))   
   (( resid 40 and name HA2 ))   
0.000  0.000  6.000  peak   1546  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.862   ppm2  4.348   CV     1  
 
ASSI  {  843} 
   (( resid 43 and name HE% ))   
   (( resid 41 and name HG1% ))   
3.400  3.400  2.600  peak   843  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.053   ppm2  1.216   CV     1  
 
ASSI  {  844} 
   (( resid 41 and name HG1% ))   
   (( resid 40 and name HN ))   
4.800  2.900  1.200  peak   844  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.216   ppm2  9.223   CV     1  
 
ASSI  {  846} 
   (( resid 43 and name HB2 ))   
   (( resid 41 and name HG1% ))   
6.000  4.500  0.000  peak   846  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.637   ppm2  1.216   CV     1  
 
ASSI  {  849} 
   (( resid 43 and name HE% ))   
   (( resid 40 and name HN ))   
3.200  3.200  2.800  peak   849  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.053   ppm2  9.223   CV     1  
 
ASSI  {  850} 
   (( resid 56 and name HA ))   
   (( resid 40 and name HN ))   
3.900  1.900  1.900  peak   850  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.778   ppm2  9.223   CV     1  
 
ASSI  {  851} 
   (( resid 57 and name HN ))   
   (( resid 43 and name HE% ))   
2.800  1.000  1.000  peak   851  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.142   ppm2  7.053   CV     1  
 
ASSI  {  852} 
   (( resid 56 and name HA ))   
   (( resid 43 and name HE% ))   
3.200  1.300  1.300  peak   852  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.778   ppm2  7.053   CV     1  
 
ASSI  {  854} 
   (( resid 55 and name HN ))   
   (( resid 44 and name HB% ))   
3.300  3.300  2.700  peak   854  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.671   ppm2  1.519   CV     1  
 
ASSI  {  855} 
   (( resid 45 and name HN ))   
   (( resid 44 and name HB% ))   
4.500  2.500  1.500  peak   855  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.523   ppm2  1.519   CV     1  
 
ASSI  {  856} 
   (( resid 45 and name HA ))   
   (( resid 44 and name HB% ))   
4.400  2.400  1.600  peak   856  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.974   ppm2  1.519   CV     1  
 
ASSI  {  857} 
   (( resid 54 and name HA ))   
   (( resid 44 and name HB% ))   
5.000  3.100  1.000  peak   857  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.445   ppm2  1.519   CV     1  
 
ASSI  {  862} 
   (( resid 46 and name HB2 ))   
   (( resid 45 and name HE% ))   
4.100  2.100  1.900  peak   862  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.543   ppm2  6.153   CV     1  
 
ASSI  {  863} 
   (( resid 47 and name HA ))   
   (( resid 45 and name HE% ))   
3.200  1.300  1.300  peak   863  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.316   ppm2  6.153   CV     1  
 
ASSI  {  864} 
   (( resid 46 and name HA ))   
   (( resid 45 and name HE% ))   
3.700  3.700  2.300  peak   864  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.226   ppm2  6.153   CV     1  
 
ASSI  {  869} 
   (( resid 50 and name HN ))   
   (( resid 48 and name HB% ))   
4.000  2.000  2.000  peak   869  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.014   ppm2  1.462   CV     1  
 
ASSI  {  870} 
   (( resid 49 and name HN ))   
   (( resid 48 and name HB% ))   
4.500  2.500  1.500  peak   870  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.392   ppm2  1.462   CV     1  
 
ASSI  {  872} 
   (( resid 51 and name HN ))   
   (( resid 48 and name HB% ))   
3.100  3.100  2.900  peak   872  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.823   ppm2  1.462   CV     1  
 
ASSI  {  873} 
   (( resid 77 and name HD1% ))   
   (( resid 53 and name HG ))   
6.000  6.000  0.000  peak   873  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.588   ppm2  0.192   CV     1  
 
ASSI  {  880} 
   (( resid 70 and name HA ))   
   (( resid 53 and name HG ))   
6.000  5.300  0.000  peak   880  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.528   ppm2  0.192   CV     1  
 
ASSI  {  883} 
   (( resid 55 and name HN ))   
   (( resid 54 and name HG2% ))   
4.600  2.700  1.400  peak   883  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.671   ppm2  1.181   CV     1  
 
ASSI  {  884} 
   (( resid 58 and name HG2% ))   
   (( resid 56 and name HG2% ))   
4.600  2.600  1.400  peak   884  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.247   ppm2  1.038   CV     1  
 
ASSI  {  885} 
   (( resid 57 and name HN ))   
   (( resid 56 and name HG2% ))   
4.700  2.700  1.300  peak   885  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.142   ppm2  1.038   CV     1  
 
ASSI  {  886} 
   (( resid 67 and name HN ))   
   (( resid 56 and name HG2% ))   
4.400  2.400  1.600  peak   886  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.491   ppm2  1.038   CV     1  
 
ASSI  {  888} 
   (( resid 63 and name HN ))   
   (( resid 59 and name HE% ))   
3.900  1.900  1.900  peak   888  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.016   ppm2  1.848   CV     1  
 
ASSI  {  897} 
   (( resid 66 and name HN ))   
   (( resid 56 and name HG2% ))   
4.700  2.800  1.300  peak   897  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 10.13   ppm2  1.038   CV     1  
 
ASSI  {  909} 
   (( resid 92 and name HD% ))   
   (( resid 77 and name HD1% ))   
4.500  2.500  1.500  peak   909  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.152   ppm2  0.588   CV     1  
 
ASSI  {  910} 
   (( resid 94 and name HA ))   
   (( resid 78 and name HG2% ))   
3.900  1.900  1.900  peak   910  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.996   ppm2  0.928   CV     1  
 
ASSI  {  911} 
   (( resid 80 and name HA ))   
   (( resid 78 and name HG2% ))   
4.900  3.000  1.100  peak   911  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.361   ppm2  0.928   CV     1  
 
ASSI  {  922} 
   (( resid 87 and name HN ))   
   (( resid 83 and name HG2% ))   
4.300  2.400  1.700  peak   922  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.312   ppm2  0.852   CV     1  
 
ASSI  {  923} 
   (( resid 84 and name HN ))   
   (( resid 83 and name HG2% ))   
4.200  2.200  1.800  peak   923  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.967   ppm2  0.852   CV     1  
 
ASSI  {  924} 
   (( resid 85 and name HN ))   
   (( resid 83 and name HG2% ))   
4.500  2.500  1.500  peak   924  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.130   ppm2  0.852   CV     1  
 
ASSI  {  925} 
   (( resid 86 and name HA ))   
   (( resid 83 and name HG2% ))   
4.900  3.000  1.100  peak   925  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.910   ppm2  0.852   CV     1  
 
ASSI  {  927} 
   (( resid 87 and name HA ))   
   (( resid 83 and name HG2% ))   
3.600  1.600  1.600  peak   927  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.275   ppm2  0.852   CV     1  
 
ASSI  {  928} 
   (( resid 88 and name HN ))   
   (( resid 83 and name HG2% ))   
3.300  3.300  2.700  peak   928  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.662   ppm2  0.852   CV     1  
 
ASSI  {  929} 
   (( resid 88 and name HA ))   
   (( resid 83 and name HG2% ))   
3.800  1.800  1.800  peak   929  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.725   ppm2  0.852   CV     1  
 
ASSI  { 1599} 
   (( resid 57 and name HN ))   
   (( resid 40 and name HA2 ))   
0.000  0.000  6.000  peak   1599  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.142   ppm2  4.348   CV     1  
 
ASSI  {  938} 
   (( resid 58 and name HN ))   
   (( resid 40 and name HA1 ))   
3.300  1.400  1.400  peak   938  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.257   ppm2  3.624   CV     1  
 
ASSI  { 1601} 
   (( resid 58 and name HN ))   
   (( resid 40 and name HA2 ))   
0.000  0.000  6.000  peak   1601  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.257   ppm2  4.348   CV     1  
 
ASSI  {  942} 
   (( resid 42 and name HA ))   
   (( resid 41 and name HN ))   
3.500  1.500  1.500  peak   942  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.870   ppm2  7.877   CV     1  
 
ASSI  {  944} 
   (( resid 43 and name HE% ))   
   (( resid 41 and name HN ))   
3.100  1.200  1.200  peak   944  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.053   ppm2  7.877   CV     1  
 
ASSI  {  945} 
   (( resid 56 and name HA ))   
   (( resid 41 and name HN ))   
3.500  1.500  1.500  peak   945  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.778   ppm2  7.877   CV     1  
 
ASSI  {  946} 
   (( resid 56 and name HB ))   
   (( resid 41 and name HN ))   
3.700  1.700  1.700  peak   946  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.837   ppm2  7.877   CV     1  
 
ASSI  {  948} 
   (( resid 57 and name HN ))   
   (( resid 41 and name HN ))   
2.800  1.000  1.000  peak   948  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.142   ppm2  7.877   CV     1  
 
ASSI  {  949} 
   (( resid 58 and name HA ))   
   (( resid 41 and name HN ))   
2.500  2.500  3.500  peak   949  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.670   ppm2  7.877   CV     1  
 
ASSI  {  950} 
   (( resid 58 and name HG2% ))   
   (( resid 41 and name HA ))   
3.800  3.800  2.200  peak   950  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.247   ppm2  4.398   CV     1  
 
ASSI  {  954} 
   (( resid 42 and name HN ))   
   (( resid 41 and name HA ))   
3.100  1.200  1.200  peak   954  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.761   ppm2  4.398   CV     1  
 
ASSI  {  955} 
   (( resid  and name  ))   
   (( resid 41 and name HA ))   
4.900  3.000  1.100  peak   955  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  4.398   CV     1  
 
ASSI  {  959} 
   (( resid 42 and name HN ))   
   (( resid 41 and name HB ))   
4.200  2.200  1.800  peak   959  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.761   ppm2  2.378   CV     1  
 
ASSI  {  960} 
   (( resid 43 and name HE% ))   
   (( resid 42 and name HN ))   
3.100  3.100  2.900  peak   960  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.053   ppm2  8.761   CV     1  
 
ASSI  {  961} 
   (( resid 43 and name HN ))   
   (( resid 42 and name HN ))   
3.400  1.400  1.400  peak   961  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.527   ppm2  8.761   CV     1  
 
ASSI  {  964} 
   (( resid 56 and name HA ))   
   (( resid 42 and name HN ))   
3.400  1.400  1.400  peak   964  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.778   ppm2  8.761   CV     1  
 
ASSI  {  965} 
   (( resid 56 and name HB ))   
   (( resid 42 and name HN ))   
3.300  1.400  1.400  peak   965  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.837   ppm2  8.761   CV     1  
 
ASSI  {  967} 
   (( resid 57 and name HN ))   
   (( resid 42 and name HA ))   
3.800  1.800  1.800  peak   967  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.142   ppm2  4.870   CV     1  
 
ASSI  {  969} 
   (( resid 43 and name HN ))   
   (( resid 42 and name HA ))   
3.000  1.100  1.100  peak   969  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.527   ppm2  4.870   CV     1  
 
ASSI  {  972} 
   (( resid 43 and name HE% ))   
   (( resid 42 and name HA ))   
3.500  1.500  1.500  peak   972  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.053   ppm2  4.870   CV     1  
 
ASSI  {  973} 
   (( resid 55 and name HN ))   
   (( resid 42 and name HA ))   
3.700  1.700  1.700  peak   973  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.671   ppm2  4.870   CV     1  
 
ASSI  {  974} 
   (( resid 55 and name HA1 ))   
   (( resid 42 and name HA ))   
3.700  1.700  1.700  peak   974  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.572   ppm2  4.870   CV     1  
 
ASSI  {  975} 
   (( resid 56 and name HN ))   
   (( resid 42 and name HA ))   
3.500  1.500  1.500  peak   975  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.766   ppm2  4.870   CV     1  
 
ASSI  {  976} 
   (( resid 56 and name HA ))   
   (( resid 42 and name HA ))   
3.400  1.400  1.400  peak   976  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.778   ppm2  4.870   CV     1  
 
ASSI  {  977} 
   (( resid 56 and name HB ))   
   (( resid 42 and name HA ))   
3.600  1.600  1.600  peak   977  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.837   ppm2  4.870   CV     1  
 
ASSI  {  978} 
   (( resid 56 and name HG2% ))   
   (( resid 42 and name HA ))   
5.500  3.800  0.500  peak   978  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.038   ppm2  4.870   CV     1  
 
ASSI  {  985} 
   (( resid 56 and name HB ))   
   (( resid 43 and name HN ))   
4.000  2.000  2.000  peak   985  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.837   ppm2  9.527   CV     1  
 
ASSI  {  989} 
   (( resid 44 and name HA ))   
   (( resid 43 and name HN ))   
3.300  1.400  1.400  peak   989  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.234   ppm2  9.527   CV     1  
 
ASSI  {  990} 
   (( resid 54 and name HA ))   
   (( resid 43 and name HN ))   
3.400  1.400  1.400  peak   990  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.445   ppm2  9.527   CV     1  
 
ASSI  {  991} 
   (( resid 55 and name HN ))   
   (( resid 43 and name HN ))   
2.800  1.000  1.000  peak   991  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.671   ppm2  9.527   CV     1  
 
ASSI  {  992} 
   (( resid 55 and name HA1 ))   
   (( resid 43 and name HN ))   
3.300  1.300  1.300  peak   992  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.572   ppm2  9.527   CV     1  
 
ASSI  {  993} 
   (( resid 56 and name HN ))   
   (( resid 43 and name HN ))   
3.300  3.300  2.700  peak   993  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.766   ppm2  9.527   CV     1  
 
ASSI  {  994} 
   (( resid 56 and name HA ))   
   (( resid 43 and name HN ))   
3.600  1.600  1.600  peak   994  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.778   ppm2  9.527   CV     1  
 
ASSI  {  998} 
   (( resid 44 and name HN ))   
   (( resid 43 and name HA ))   
3.100  1.200  1.200  peak   998  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.155   ppm2  5.117   CV     1  
 
ASSI  {  999} 
   (( resid 44 and name HA ))   
   (( resid 43 and name HB3 ))   
2.900  2.900  3.100  peak   999  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.234   ppm2  3.423   CV     1  
 
ASSI  { 1001} 
   (( resid 44 and name HN ))   
   (( resid 43 and name HB3 ))   
4.300  2.300  1.700  peak   1001  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.155   ppm2  3.423   CV     1  
 
ASSI  { 1005} 
   (( resid 45 and name HN ))   
   (( resid 44 and name HN ))   
3.500  1.500  1.500  peak   1005  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.523   ppm2  8.155   CV     1  
 
ASSI  { 1007} 
   (( resid 45 and name HB2 ))   
   (( resid 44 and name HN ))   
3.500  1.500  1.500  peak   1007  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.630   ppm2  8.155   CV     1  
 
ASSI  { 1008} 
   (( resid 54 and name HA ))   
   (( resid 44 and name HA ))   
3.100  1.200  1.200  peak   1008  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.445   ppm2  5.234   CV     1  
 
ASSI  { 1010} 
   (( resid 45 and name HN ))   
   (( resid 44 and name HA ))   
3.000  1.100  1.100  peak   1010  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.523   ppm2  5.234   CV     1  
 
ASSI  { 1012} 
   (( resid 54 and name HN ))   
   (( resid 44 and name HA ))   
3.500  1.500  1.500  peak   1012  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.557   ppm2  5.234   CV     1  
 
ASSI  { 1014} 
   (( resid 54 and name HB ))   
   (( resid 44 and name HA ))   
4.000  2.000  2.000  peak   1014  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.140   ppm2  5.234   CV     1  
 
ASSI  { 1016} 
   (( resid 54 and name HG2% ))   
   (( resid 44 and name HA ))   
4.500  2.500  1.500  peak   1016  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.181   ppm2  5.234   CV     1  
 
ASSI  { 1020} 
   (( resid 46 and name HN ))   
   (( resid 45 and name HN ))   
3.400  1.400  1.400  peak   1020  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.645   ppm2  8.523   CV     1  
 
ASSI  { 1023} 
   (( resid 53 and name HN ))   
   (( resid 45 and name HN ))   
2.900  1.000  1.000  peak   1023  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.775   ppm2  8.523   CV     1  
 
ASSI  { 1024} 
   (( resid 53 and name HB3 ))   
   (( resid 45 and name HN ))   
4.600  2.600  1.400  peak   1024  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.213   ppm2  8.523   CV     1  
 
ASSI  { 1026} 
   (( resid 54 and name HA ))   
   (( resid 45 and name HN ))   
3.600  1.600  1.600  peak   1026  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.445   ppm2  8.523   CV     1  
 
ASSI  { 1031} 
   (( resid 46 and name HN ))   
   (( resid 45 and name HA ))   
3.100  1.200  1.200  peak   1031  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.645   ppm2  4.974   CV     1  
 
ASSI  { 1032} 
   (( resid 46 and name HA ))   
   (( resid 45 and name HA ))   
3.900  1.900  1.900  peak   1032  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.226   ppm2  4.974   CV     1  
 
ASSI  { 1033} 
   (( resid 46 and name HB2 ))   
   (( resid 45 and name HB3 ))   
4.800  2.900  1.200  peak   1033  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.543   ppm2  2.950   CV     1  
 
ASSI  { 1662} 
   (( resid 46 and name HB3 ))   
   (( resid 45 and name HB3 ))   
0.000  0.000  6.000  peak   1662  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.637   ppm2  2.950   CV     1  
 
ASSI  { 1038} 
   (( resid 46 and name HA ))   
   (( resid 45 and name HB3 ))   
3.800  1.800  1.800  peak   1038  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.226   ppm2  2.950   CV     1  
 
ASSI  { 1039} 
   (( resid 47 and name HN ))   
   (( resid 45 and name HB3 ))   
3.600  3.600  2.400  peak   1039  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.081   ppm2  2.950   CV     1  
 
ASSI  { 1045} 
   (( resid 47 and name HN ))   
   (( resid 46 and name HN ))   
3.600  1.600  1.600  peak   1045  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.081   ppm2  7.645   CV     1  
 
ASSI  { 1048} 
   (( resid 52 and name HA ))   
   (( resid 46 and name HA ))   
3.400  1.400  1.400  peak   1048  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.467   ppm2  5.226   CV     1  
 
ASSI  { 1050} 
   (( resid 47 and name HN ))   
   (( resid 46 and name HA ))   
3.000  1.100  1.100  peak   1050  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.081   ppm2  5.226   CV     1  
 
ASSI  { 1051} 
   (( resid 47 and name HA ))   
   (( resid 46 and name HA ))   
4.100  2.100  1.900  peak   1051  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.316   ppm2  5.226   CV     1  
 
ASSI  { 1054} 
   (( resid 49 and name HN ))   
   (( resid 46 and name HA ))   
3.700  1.700  1.700  peak   1054  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.392   ppm2  5.226   CV     1  
 
ASSI  { 1055} 
   (( resid 52 and name HN ))   
   (( resid 46 and name HA ))   
3.300  1.400  1.400  peak   1055  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.294   ppm2  5.226   CV     1  
 
ASSI  { 1056} 
   (( resid  and name  ))   
   (( resid 46 and name HA ))   
4.400  2.400  1.600  peak   1056  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  5.226   CV     1  
 
ASSI  { 1680} 
   (( resid 49 and name HA ))   
   (( resid 46 and name HB3 ))   
0.000  0.000  6.000  peak   1680  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.440   ppm2  3.637   CV     1  
 
ASSI  { 1063} 
   (( resid 47 and name HA ))   
   (( resid 46 and name HB2 ))   
4.500  2.500  1.500  peak   1063  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.316   ppm2  3.543   CV     1  
 
ASSI  { 1682} 
   (( resid 47 and name HA ))   
   (( resid 46 and name HB3 ))   
0.000  0.000  6.000  peak   1682  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.316   ppm2  3.637   CV     1  
 
ASSI  { 1064} 
   (( resid 49 and name HN ))   
   (( resid 46 and name HB2 ))   
4.200  2.200  1.800  peak   1064  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.392   ppm2  3.543   CV     1  
 
ASSI  { 1684} 
   (( resid 49 and name HN ))   
   (( resid 46 and name HB3 ))   
0.000  0.000  6.000  peak   1684  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.392   ppm2  3.637   CV     1  
 
ASSI  { 1070} 
   (( resid 52 and name HA ))   
   (( resid 47 and name HN ))   
3.700  1.700  1.700  peak   1070  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.467   ppm2  8.081   CV     1  
 
ASSI  { 1073} 
   (( resid 49 and name HN ))   
   (( resid 47 and name HN ))   
3.100  1.200  1.200  peak   1073  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.392   ppm2  8.081   CV     1  
 
ASSI  { 1074} 
   (( resid 51 and name HN ))   
   (( resid 47 and name HN ))   
3.000  1.100  1.100  peak   1074  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.823   ppm2  8.081   CV     1  
 
ASSI  { 1077} 
   (( resid 48 and name HN ))   
   (( resid 47 and name HA ))   
3.100  1.200  1.200  peak   1077  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.398   ppm2  4.316   CV     1  
 
ASSI  { 1078} 
   (( resid 49 and name HN ))   
   (( resid 47 and name HA ))   
3.600  1.600  1.600  peak   1078  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.392   ppm2  4.316   CV     1  
 
ASSI  { 1082} 
   (( resid 46 and name HB2 ))   
   (( resid 47 and name HN ))   
4.300  2.300  1.700  peak   1082  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.543   ppm2  8.081   CV     1  
 
ASSI  { 1083} 
   (( resid 48 and name HN ))   
   (( resid 47 and name HN ))   
3.500  1.600  1.600  peak   1083  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.398   ppm2  8.081   CV     1  
 
ASSI  { 1084} 
   (( resid 51 and name HB ))   
   (( resid 47 and name HN ))   
3.800  1.800  1.800  peak   1084  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.994   ppm2  8.081   CV     1  
 
ASSI  { 1086} 
   (( resid  and name  ))   
   (( resid 47 and name HA ))   
4.400  2.400  1.600  peak   1086  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  4.316   CV     1  
 
ASSI  { 1091} 
   (( resid 49 and name HN ))   
   (( resid 48 and name HA ))   
3.500  1.500  1.500  peak   1091  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.392   ppm2  3.946   CV     1  
 
ASSI  { 1092} 
   (( resid 51 and name HG2% ))   
   (( resid 49 and name HN ))   
3.600  3.600  2.400  peak   1092  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.965   ppm2  7.392   CV     1  
 
ASSI  { 1093} 
   (( resid 50 and name HN ))   
   (( resid 49 and name HN ))   
3.000  1.100  1.100  peak   1093  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.014   ppm2  7.392   CV     1  
 
ASSI  { 1094} 
   (( resid 51 and name HN ))   
   (( resid 49 and name HA ))   
3.600  1.600  1.600  peak   1094  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.823   ppm2  4.440   CV     1  
 
ASSI  { 1095} 
   (( resid 50 and name HN ))   
   (( resid 49 and name HA ))   
3.300  1.400  1.400  peak   1095  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.014   ppm2  4.440   CV     1  
 
ASSI  { 1096} 
   (( resid 51 and name HN ))   
   (( resid 49 and name HB2 ))   
3.100  3.100  2.900  peak   1096  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.823   ppm2  2.527   CV     1  
 
ASSI  { 1702} 
   (( resid 51 and name HN ))   
   (( resid 49 and name HB3 ))   
0.000  0.000  6.000  peak   1702  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.823   ppm2  3.079   CV     1  
 
ASSI  { 1099} 
   (( resid 51 and name HA ))   
   (( resid 50 and name HN ))   
4.100  2.100  1.900  peak   1099  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.782   ppm2  8.014   CV     1  
 
ASSI  { 1100} 
   (( resid 51 and name HG2% ))   
   (( resid 50 and name HA2 ))   
4.500  2.600  1.500  peak   1100  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.965   ppm2  4.403   CV     1  
 
ASSI  { 1106} 
   (( resid 52 and name HN ))   
   (( resid 51 and name HN ))   
3.400  1.400  1.400  peak   1106  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.294   ppm2  7.823   CV     1  
 
ASSI  { 1112} 
   (( resid 52 and name HN ))   
   (( resid 51 and name HA ))   
3.300  1.300  1.300  peak   1112  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.294   ppm2  3.782   CV     1  
 
ASSI  { 1113} 
   (( resid 52 and name HA ))   
   (( resid 51 and name HA ))   
4.300  2.300  1.700  peak   1113  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.467   ppm2  3.782   CV     1  
 
ASSI  { 1114} 
   (( resid 53 and name HN ))   
   (( resid 51 and name HA ))   
4.000  2.000  2.000  peak   1114  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.775   ppm2  3.782   CV     1  
 
ASSI  { 1116} 
   (( resid 70 and name HA ))   
   (( resid 51 and name HA ))   
4.500  2.500  1.500  peak   1116  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.528   ppm2  3.782   CV     1  
 
ASSI  { 1119} 
   (( resid 72 and name HN ))   
   (( resid 51 and name HA ))   
3.700  1.700  1.700  peak   1119  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.015   ppm2  3.782   CV     1  
 
ASSI  { 1120} 
   (( resid 72 and name HB2 ))   
   (( resid 51 and name HB ))   
5.500  3.700  0.500  peak   1120  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.513   ppm2  1.994   CV     1  
 
ASSI  { 1720} 
   (( resid 72 and name HB3 ))   
   (( resid 51 and name HB ))   
0.000  0.000  6.000  peak   1720  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.773   ppm2  1.994   CV     1  
 
ASSI  { 1123} 
   (( resid 52 and name HN ))   
   (( resid 51 and name HB ))   
3.400  1.500  1.500  peak   1123  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.294   ppm2  1.994   CV     1  
 
ASSI  { 1124} 
   (( resid 52 and name HA ))   
   (( resid 51 and name HB ))   
4.600  2.700  1.400  peak   1124  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.467   ppm2  1.994   CV     1  
 
ASSI  { 1125} 
   (( resid 53 and name HG ))   
   (( resid 51 and name HB ))   
6.000  6.000  0.000  peak   1125  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.192   ppm2  1.994   CV     1  
 
ASSI  { 1127} 
   (( resid 70 and name HA ))   
   (( resid 51 and name HB ))   
4.500  2.500  1.500  peak   1127  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.528   ppm2  1.994   CV     1  
 
ASSI  { 1130} 
   (( resid  and name  ))   
   (( resid 51 and name HG2% ))   
5.100  3.300  0.900  peak   1130  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  0.965   CV     1  
 
ASSI  { 1133} 
   (( resid 53 and name HN ))   
   (( resid 51 and name HB ))   
4.000  2.000  2.000  peak   1133  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.775   ppm2  1.994   CV     1  
 
ASSI  { 1135} 
   (( resid  and name  ))   
   (( resid 51 and name HN ))   
4.000  4.000  2.000  peak   1135  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  7.823   CV     1  
 
ASSI  { 1136} 
   (( resid 53 and name HG ))   
   (( resid 52 and name HN ))   
5.800  4.100  0.200  peak   1136  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.192   ppm2  8.294   CV     1  
 
ASSI  { 1138} 
   (( resid 53 and name HA ))   
   (( resid 52 and name HN ))   
3.200  1.300  1.300  peak   1138  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.327   ppm2  8.294   CV     1  
 
ASSI  { 1139} 
   (( resid 53 and name HB3 ))   
   (( resid 52 and name HN ))   
4.600  2.600  1.400  peak   1139  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.213   ppm2  8.294   CV     1  
 
ASSI  { 1143} 
   (( resid 70 and name HA ))   
   (( resid 52 and name HN ))   
3.200  1.300  1.300  peak   1143  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.528   ppm2  8.294   CV     1  
 
ASSI  { 1146} 
   (( resid 71 and name HN ))   
   (( resid 52 and name HN ))   
3.100  3.100  2.900  peak   1146  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.277   ppm2  8.294   CV     1  
 
ASSI  { 1147} 
   (( resid 72 and name HN ))   
   (( resid 52 and name HN ))   
2.900  1.000  1.000  peak   1147  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.015   ppm2  8.294   CV     1  
 
ASSI  { 1148} 
   (( resid 72 and name HB2 ))   
   (( resid 52 and name HA ))   
5.000  3.200  1.000  peak   1148  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.513   ppm2  4.467   CV     1  
 
ASSI  { 1735} 
   (( resid 72 and name HB3 ))   
   (( resid 52 and name HA ))   
0.000  0.000  6.000  peak   1735  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.773   ppm2  4.467   CV     1  
 
ASSI  { 1150} 
   (( resid 53 and name HN ))   
   (( resid 52 and name HA ))   
3.100  1.200  1.200  peak   1150  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.775   ppm2  4.467   CV     1  
 
ASSI  { 1737} 
   (( resid 53 and name HB3 ))   
   (( resid 52 and name HA ))   
0.000  0.000  6.000  peak   1737  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.213   ppm2  4.467   CV     1  
 
ASSI  { 1153} 
   (( resid 53 and name HN ))   
   (( resid 52 and name HN ))   
2.900  1.000  1.000  peak   1153  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.775   ppm2  8.294   CV     1  
 
ASSI  { 1160} 
   (( resid 72 and name HN ))   
   (( resid 52 and name HG3 ))   
3.600  1.700  1.700  peak   1160  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.015   ppm2  2.368   CV     1  
 
ASSI  { 1744} 
   (( resid 53 and name HA ))   
   (( resid 52 and name HG3 ))   
0.000  0.000  6.000  peak   1744  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.327   ppm2  2.368   CV     1  
 
ASSI  { 1164} 
   (( resid 54 and name HN ))   
   (( resid 53 and name HN ))   
3.300  1.400  1.400  peak   1164  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.557   ppm2  8.775   CV     1  
 
ASSI  { 1165} 
   (( resid 70 and name HA ))   
   (( resid 53 and name HN ))   
3.300  1.400  1.400  peak   1165  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.528   ppm2  8.775   CV     1  
 
ASSI  { 1171} 
   (( resid 54 and name HN ))   
   (( resid 53 and name HA ))   
2.800  1.000  1.000  peak   1171  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.557   ppm2  5.327   CV     1  
 
ASSI  { 1172} 
   (( resid 54 and name HA ))   
   (( resid 53 and name HA ))   
3.800  1.800  1.800  peak   1172  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.445   ppm2  5.327   CV     1  
 
ASSI  { 1173} 
   (( resid 54 and name HB ))   
   (( resid 53 and name HA ))   
4.100  2.100  1.900  peak   1173  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.140   ppm2  5.327   CV     1  
 
ASSI  { 1175} 
   (( resid 68 and name HA ))   
   (( resid 53 and name HA ))   
4.400  2.500  1.600  peak   1175  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.443   ppm2  5.327   CV     1  
 
ASSI  { 1177} 
   (( resid 69 and name HN ))   
   (( resid 53 and name HA ))   
3.300  1.400  1.400  peak   1177  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.206   ppm2  5.327   CV     1  
 
ASSI  { 1178} 
   (( resid 69 and name HA ))   
   (( resid 53 and name HA ))   
3.700  1.700  1.700  peak   1178  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.099   ppm2  5.327   CV     1  
 
ASSI  { 1179} 
   (( resid  and name  ))   
   (( resid 53 and name HA ))   
4.900  3.100  1.100  peak   1179  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  5.327   CV     1  
 
ASSI  { 1180} 
   (( resid 70 and name HN ))   
   (( resid 53 and name HA ))   
3.100  1.200  1.200  peak   1180  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.962   ppm2  5.327   CV     1  
 
ASSI  { 1181} 
   (( resid 70 and name HA ))   
   (( resid 53 and name HA ))   
3.300  1.400  1.400  peak   1181  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.528   ppm2  5.327   CV     1  
 
ASSI  { 1183} 
   (( resid 71 and name HN ))   
   (( resid 53 and name HB3 ))   
4.600  2.600  1.400  peak   1183  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.277   ppm2  1.213   CV     1  
 
ASSI  { 1187} 
   (( resid 54 and name HN ))   
   (( resid 53 and name HB3 ))   
4.000  2.000  2.000  peak   1187  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.557   ppm2  1.213   CV     1  
 
ASSI  { 1188} 
   (( resid 68 and name HB3 ))   
   (( resid 53 and name HB3 ))   
4.300  2.400  1.700  peak   1188  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.859   ppm2  1.213   CV     1  
 
ASSI  { 1761} 
   (( resid 68 and name HB2 ))   
   (( resid 53 and name HB3 ))   
0.000  0.000  6.000  peak   1761  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.003   ppm2  1.213   CV     1  
 
ASSI  { 1189} 
   (( resid 69 and name HN ))   
   (( resid 53 and name HB3 ))   
3.900  1.900  1.900  peak   1189  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.206   ppm2  1.213   CV     1  
 
ASSI  { 1190} 
   (( resid 69 and name HN ))   
   (( resid 53 and name HG ))   
5.900  4.400  0.100  peak   1190  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.206   ppm2  0.192   CV     1  
 
ASSI  { 1193} 
   (( resid 54 and name HN ))   
   (( resid 53 and name HG ))   
6.000  5.100  0.000  peak   1193  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.557   ppm2  0.192   CV     1  
 
ASSI  { 1194} 
   (( resid 68 and name HA ))   
   (( resid 53 and name HG ))   
6.000  5.900  0.000  peak   1194  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.443   ppm2  0.192   CV     1  
 
ASSI  { 1197} 
   (( resid 69 and name HA ))   
   (( resid 53 and name HG ))   
6.000  5.400  0.000  peak   1197  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.099   ppm2  0.192   CV     1  
 
ASSI  { 1198} 
   (( resid 70 and name HN ))   
   (( resid 53 and name HG ))   
5.700  4.100  0.300  peak   1198  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.962   ppm2  0.192   CV     1  
 
ASSI  { 1200} 
   (( resid 77 and name HN ))   
   (( resid 53 and name HG ))   
6.000  4.600  0.000  peak   1200  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.726   ppm2  0.192   CV     1  
 
ASSI  { 1204} 
   (( resid 69 and name HN ))   
   (( resid 54 and name HN ))   
2.400  0.700  0.700  peak   1204  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.206   ppm2  8.557   CV     1  
 
ASSI  { 1206} 
   (( resid 55 and name HN ))   
   (( resid 54 and name HN ))   
3.100  1.200  1.200  peak   1206  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.671   ppm2  8.557   CV     1  
 
ASSI  { 1208} 
   (( resid 68 and name HA ))   
   (( resid 54 and name HN ))   
3.700  1.700  1.700  peak   1208  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.443   ppm2  8.557   CV     1  
 
ASSI  { 1211} 
   (( resid 69 and name HA ))   
   (( resid 54 and name HN ))   
3.600  1.600  1.600  peak   1211  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.099   ppm2  8.557   CV     1  
 
ASSI  { 1212} 
   (( resid  and name  ))   
   (( resid 54 and name HN ))   
4.300  2.300  1.700  peak   1212  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  8.557   CV     1  
 
ASSI  { 1215} 
   (( resid 69 and name HN ))   
   (( resid 54 and name HA ))   
3.600  1.600  1.600  peak   1215  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.206   ppm2  5.445   CV     1  
 
ASSI  { 1217} 
   (( resid 55 and name HN ))   
   (( resid 54 and name HA ))   
2.900  1.100  1.100  peak   1217  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.671   ppm2  5.445   CV     1  
 
ASSI  { 1218} 
   (( resid 55 and name HA2 ))   
   (( resid 54 and name HA ))   
4.300  2.300  1.700  peak   1218  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.963   ppm2  5.445   CV     1  
 
ASSI  { 1219} 
   (( resid 68 and name HA ))   
   (( resid 54 and name HA ))   
3.900  1.900  1.900  peak   1219  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.443   ppm2  5.445   CV     1  
 
ASSI  { 1220} 
   (( resid 69 and name HN ))   
   (( resid 54 and name HB ))   
3.700  1.700  1.700  peak   1220  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.206   ppm2  4.140   CV     1  
 
ASSI  { 1221} 
   (( resid 55 and name HN ))   
   (( resid 54 and name HB ))   
3.800  1.800  1.800  peak   1221  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.671   ppm2  4.140   CV     1  
 
ASSI  { 1222} 
   (( resid 55 and name HA1 ))   
   (( resid 54 and name HB ))   
3.700  1.800  1.800  peak   1222  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.572   ppm2  4.140   CV     1  
 
ASSI  { 1223} 
   (( resid 68 and name HA ))   
   (( resid 54 and name HB ))   
4.000  2.000  2.000  peak   1223  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.443   ppm2  4.140   CV     1  
 
ASSI  { 1225} 
   (( resid  and name  ))   
   (( resid 54 and name HA ))   
3.500  3.500  2.500  peak   1225  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  5.445   CV     1  
 
ASSI  { 1227} 
   (( resid 56 and name HN ))   
   (( resid 55 and name HN ))   
3.600  1.600  1.600  peak   1227  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.766   ppm2  8.671   CV     1  
 
ASSI  { 1230} 
   (( resid 68 and name HA ))   
   (( resid 55 and name HN ))   
3.400  1.500  1.500  peak   1230  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.443   ppm2  8.671   CV     1  
 
ASSI  { 1795} 
   (( resid 68 and name HB2 ))   
   (( resid 55 and name HA1 ))   
0.000  0.000  6.000  peak   1795  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.003   ppm2  4.572   CV     1  
 
ASSI  { 1238} 
   (( resid 68 and name HB3 ))   
   (( resid 55 and name HA2 ))   
4.600  2.600  1.400  peak   1238  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.859   ppm2  3.963   CV     1  
 
ASSI  { 1239} 
   (( resid  and name  ))   
   (( resid 55 and name HA1 ))   
3.600  3.600  2.400  peak   1239  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  4.572   CV     1  
 
ASSI  { 1811} 
   (( resid  and name  ))   
   (( resid 55 and name HA2 ))   
0.000  0.000  6.000  peak   1811  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  3.963   CV     1  
 
ASSI  { 1245} 
   (( resid 66 and name HA1 ))   
   (( resid 56 and name HN ))   
3.800  1.800  1.800  peak   1245  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.805   ppm2  6.766   CV     1  
 
ASSI  { 1246} 
   (( resid 67 and name HN ))   
   (( resid 56 and name HN ))   
3.000  1.200  1.200  peak   1246  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.491   ppm2  6.766   CV     1  
 
ASSI  { 1248} 
   (( resid 67 and name HB2 ))   
   (( resid 56 and name HN ))   
4.700  2.700  1.300  peak   1248  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.475   ppm2  6.766   CV     1  
 
ASSI  { 1816} 
   (( resid 67 and name HB3 ))   
   (( resid 56 and name HN ))   
0.000  0.000  6.000  peak   1816  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.600   ppm2  6.766   CV     1  
 
ASSI  { 1252} 
   (( resid 57 and name HN ))   
   (( resid 56 and name HA ))   
3.000  1.100  1.100  peak   1252  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.142   ppm2  4.778   CV     1  
 
ASSI  { 1253} 
   (( resid 57 and name HA ))   
   (( resid 56 and name HA ))   
3.800  1.800  1.800  peak   1253  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.340   ppm2  4.778   CV     1  
 
ASSI  { 1254} 
   (( resid 57 and name HB3 ))   
   (( resid 56 and name HA ))   
5.300  3.500  0.700  peak   1254  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.528   ppm2  4.778   CV     1  
 
ASSI  { 1257} 
   (( resid 57 and name HN ))   
   (( resid 56 and name HB ))   
4.000  2.000  2.000  peak   1257  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.142   ppm2  3.837   CV     1  
 
ASSI  { 1264} 
   (( resid 58 and name HG2% ))   
   (( resid 57 and name HN ))   
3.100  3.100  2.900  peak   1264  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.247   ppm2  9.142   CV     1  
 
ASSI  { 1267} 
   (( resid 58 and name HN ))   
   (( resid 57 and name HA ))   
2.800  1.000  1.000  peak   1267  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.257   ppm2  5.340   CV     1  
 
ASSI  { 1268} 
   (( resid 58 and name HA ))   
   (( resid 57 and name HA ))   
3.900  1.900  1.900  peak   1268  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.670   ppm2  5.340   CV     1  
 
ASSI  { 1269} 
   (( resid 58 and name HG2% ))   
   (( resid 57 and name HA ))   
5.300  3.500  0.700  peak   1269  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.247   ppm2  5.340   CV     1  
 
ASSI  { 1271} 
   (( resid 67 and name HN ))   
   (( resid 57 and name HA ))   
3.800  1.800  1.800  peak   1271  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.491   ppm2  5.340   CV     1  
 
ASSI  { 1276} 
   (( resid 58 and name HA ))   
   (( resid 57 and name HB2 ))   
4.200  2.200  1.800  peak   1276  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.670   ppm2  2.453   CV     1  
 
ASSI  { 1277} 
   (( resid 59 and name HN ))   
   (( resid 57 and name HB2 ))   
3.900  1.900  1.900  peak   1277  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.862   ppm2  2.453   CV     1  
 
ASSI  { 1279} 
   (( resid 64 and name HA ))   
   (( resid 57 and name HB2 ))   
4.400  2.500  1.600  peak   1279  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.039   ppm2  2.453   CV     1  
 
ASSI  { 1834} 
   (( resid 64 and name HA ))   
   (( resid 57 and name HB3 ))   
0.000  0.000  6.000  peak   1834  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.039   ppm2  2.528   CV     1  
 
ASSI  { 1282} 
   (( resid 66 and name HA2 ))   
   (( resid 57 and name HB2 ))   
5.800  4.200  0.200  peak   1282  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.434   ppm2  2.453   CV     1  
 
ASSI  { 1836} 
   (( resid 66 and name HA2 ))   
   (( resid 57 and name HB3 ))   
0.000  0.000  6.000  peak   1836  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.434   ppm2  2.528   CV     1  
 
ASSI  { 1283} 
   (( resid 66 and name HA1 ))   
   (( resid 57 and name HB3 ))   
3.100  3.100  2.900  peak   1283  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.805   ppm2  2.528   CV     1  
 
ASSI  { 1838} 
   (( resid 66 and name HA1 ))   
   (( resid 57 and name HB2 ))   
0.000  0.000  6.000  peak   1838  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.805   ppm2  2.453   CV     1  
 
ASSI  { 1288} 
   (( resid 64 and name HA ))   
   (( resid 58 and name HN ))   
3.400  3.400  2.600  peak   1288  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.039   ppm2  9.257   CV     1  
 
ASSI  { 1290} 
   (( resid 65 and name HN ))   
   (( resid 58 and name HN ))   
2.700  0.900  0.900  peak   1290  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.376   ppm2  9.257   CV     1  
 
ASSI  { 1291} 
   (( resid 65 and name HB ))   
   (( resid 58 and name HN ))   
3.900  1.900  1.900  peak   1291  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.996   ppm2  9.257   CV     1  
 
ASSI  { 1292} 
   (( resid 66 and name HA2 ))   
   (( resid 58 and name HA ))   
3.500  3.500  2.500  peak   1292  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.434   ppm2  4.670   CV     1  
 
ASSI  { 1847} 
   (( resid 66 and name HA1 ))   
   (( resid 58 and name HA ))   
0.000  0.000  6.000  peak   1847  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.805   ppm2  4.670   CV     1  
 
ASSI  { 1294} 
   (( resid 59 and name HN ))   
   (( resid 58 and name HA ))   
2.900  1.100  1.100  peak   1294  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.862   ppm2  4.670   CV     1  
 
ASSI  { 1295} 
   (( resid 59 and name HB2 ))   
   (( resid 58 and name HB ))   
4.900  3.000  1.100  peak   1295  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.301   ppm2  4.282   CV     1  
 
ASSI  { 1850} 
   (( resid 59 and name HB3 ))   
   (( resid 58 and name HB ))   
0.000  0.000  6.000  peak   1850  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.136   ppm2  4.282   CV     1  
 
ASSI  { 1852} 
   (( resid 66 and name HA1 ))   
   (( resid 58 and name HB ))   
0.000  0.000  6.000  peak   1852  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.805   ppm2  4.282   CV     1  
 
ASSI  { 1299} 
   (( resid 59 and name HA ))   
   (( resid 58 and name HB ))   
3.400  1.500  1.500  peak   1299  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.498   ppm2  4.282   CV     1  
 
ASSI  { 1300} 
   (( resid 60 and name HN ))   
   (( resid 58 and name HB ))   
3.500  3.500  2.500  peak   1300  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.095   ppm2  4.282   CV     1  
 
ASSI  { 1301} 
   (( resid 60 and name HB3 ))   
   (( resid 58 and name HB ))   
4.600  2.600  1.400  peak   1301  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.922   ppm2  4.282   CV     1  
 
ASSI  { 1302} 
   (( resid 65 and name HN ))   
   (( resid 58 and name HB ))   
3.200  1.300  1.300  peak   1302  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.376   ppm2  4.282   CV     1  
 
ASSI  { 1306} 
   (( resid 64 and name HA ))   
   (( resid 59 and name HN ))   
3.700  1.700  1.700  peak   1306  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.039   ppm2  8.862   CV     1  
 
ASSI  { 1307} 
   (( resid 65 and name HN ))   
   (( resid 59 and name HA ))   
3.100  1.200  1.200  peak   1307  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.376   ppm2  5.498   CV     1  
 
ASSI  { 1310} 
   (( resid 60 and name HN ))   
   (( resid 59 and name HA ))   
2.800  1.000  1.000  peak   1310  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.095   ppm2  5.498   CV     1  
 
ASSI  { 1312} 
   (( resid 61 and name HN ))   
   (( resid 59 and name HA ))   
4.000  2.000  2.000  peak   1312  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.042   ppm2  5.498   CV     1  
 
ASSI  { 1313} 
   (( resid 63 and name HN ))   
   (( resid 59 and name HA ))   
3.800  1.800  1.800  peak   1313  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.016   ppm2  5.498   CV     1  
 
ASSI  { 1315} 
   (( resid 64 and name HN ))   
   (( resid 59 and name HA ))   
3.600  1.600  1.600  peak   1315  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.812   ppm2  5.498   CV     1  
 
ASSI  { 1316} 
   (( resid 64 and name HG ))   
   (( resid 59 and name HA ))   
5.100  3.200  0.900  peak   1316  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.905   ppm2  5.498   CV     1  
 
ASSI  { 1318} 
   (( resid 65 and name HN ))   
   (( resid 59 and name HB3 ))   
2.800  2.800  3.200  peak   1318  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.376   ppm2  2.136   CV     1  
 
ASSI  { 1319} 
   (( resid 60 and name HN ))   
   (( resid 59 and name HB3 ))   
4.300  2.300  1.700  peak   1319  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.095   ppm2  2.136   CV     1  
 
ASSI  { 1320} 
   (( resid 64 and name HA ))   
   (( resid 59 and name HB3 ))   
5.200  3.400  0.800  peak   1320  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.039   ppm2  2.136   CV     1  
 
ASSI  { 1321} 
   (( resid 64 and name HG ))   
   (( resid 59 and name HB3 ))   
6.000  5.600  0.000  peak   1321  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.905   ppm2  2.136   CV     1  
 
ASSI  { 1872} 
   (( resid 64 and name HG ))   
   (( resid 59 and name HB2 ))   
0.000  0.000  6.000  peak   1872  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.905   ppm2  2.301   CV     1  
 
ASSI  { 1322} 
   (( resid 65 and name HN ))   
   (( resid 59 and name HG2 ))   
3.000  3.000  3.000  peak   1322  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.376   ppm2  2.625   CV     1  
 
ASSI  { 1874} 
   (( resid 65 and name HN ))   
   (( resid 59 and name HG3 ))   
0.000  0.000  6.000  peak   1874  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.376   ppm2  2.558   CV     1  
 
ASSI  { 1876} 
   (( resid 60 and name HN ))   
   (( resid 59 and name HG3 ))   
0.000  0.000  6.000  peak   1876  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.095   ppm2  2.558   CV     1  
 
ASSI  { 1324} 
   (( resid 60 and name HA ))   
   (( resid 59 and name HG3 ))   
4.700  2.700  1.300  peak   1324  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.684   ppm2  2.558   CV     1  
 
ASSI  { 1325} 
   (( resid 61 and name HN ))   
   (( resid 59 and name HG3 ))   
4.200  2.200  1.800  peak   1325  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.042   ppm2  2.558   CV     1  
 
ASSI  { 1880} 
   (( resid 61 and name HN ))   
   (( resid 59 and name HG2 ))   
0.000  0.000  6.000  peak   1880  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.042   ppm2  2.625   CV     1  
 
ASSI  { 1326} 
   (( resid 61 and name HA1 ))   
   (( resid 59 and name HG3 ))   
5.000  3.200  1.000  peak   1326  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.765   ppm2  2.558   CV     1  
 
ASSI  { 1882} 
   (( resid 61 and name HA2 ))   
   (( resid 59 and name HG3 ))   
0.000  0.000  6.000  peak   1882  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.107   ppm2  2.558   CV     1  
 
ASSI  { 1327} 
   (( resid 62 and name HN ))   
   (( resid 59 and name HG3 ))   
4.100  2.100  1.900  peak   1327  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.810   ppm2  2.558   CV     1  
 
ASSI  { 1328} 
   (( resid 64 and name HG ))   
   (( resid 60 and name HN ))   
5.300  3.500  0.700  peak   1328  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.905   ppm2  9.095   CV     1  
 
ASSI  { 1331} 
   (( resid 63 and name HN ))   
   (( resid 60 and name HN ))   
2.800  1.000  1.000  peak   1331  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.016   ppm2  9.095   CV     1  
 
ASSI  { 1333} 
   (( resid 64 and name HN ))   
   (( resid 60 and name HN ))   
3.200  3.200  2.800  peak   1333  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.812   ppm2  9.095   CV     1  
 
ASSI  { 1334} 
   (( resid 64 and name HA ))   
   (( resid 60 and name HN ))   
3.700  1.700  1.700  peak   1334  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.039   ppm2  9.095   CV     1  
 
ASSI  { 1335} 
   (( resid 65 and name HN ))   
   (( resid 60 and name HN ))   
3.400  1.500  1.500  peak   1335  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.376   ppm2  9.095   CV     1  
 
ASSI  { 1341} 
   (( resid 65 and name HN ))   
   (( resid 60 and name HB2 ))   
3.100  3.100  2.900  peak   1341  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.376   ppm2  2.055   CV     1  
 
ASSI  { 1346} 
   (( resid 62 and name HA ))   
   (( resid 61 and name HN ))   
3.600  1.600  1.600  peak   1346  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.913   ppm2  9.042   CV     1  
 
ASSI  { 1347} 
   (( resid 63 and name HN ))   
   (( resid 61 and name HN ))   
3.200  1.300  1.300  peak   1347  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.016   ppm2  9.042   CV     1  
 
ASSI  { 1909} 
   (( resid 62 and name HB2 ))   
   (( resid 61 and name HA2 ))   
0.000  0.000  6.000  peak   1909  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.989   ppm2  4.107   CV     1  
 
ASSI  { 1910} 
   (( resid 62 and name HB2 ))   
   (( resid 61 and name HA1 ))   
0.000  0.000  6.000  peak   1910  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.989   ppm2  3.765   CV     1  
 
ASSI  { 1911} 
   (( resid  and name  ))   
   (( resid 62 and name HA ))   
0.000  0.000  6.000  peak   1911  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  4.913   CV     1  
 
ASSI  { 1356} 
   (( resid 63 and name HN ))   
   (( resid 62 and name HA ))   
3.100  1.200  1.200  peak   1356  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.016   ppm2  4.913   CV     1  
 
ASSI  { 1358} 
   (( resid 83 and name HN ))   
   (( resid 62 and name HA ))   
3.300  1.400  1.400  peak   1358  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.595   ppm2  4.913   CV     1  
 
ASSI  { 1359} 
   (( resid 83 and name HB ))   
   (( resid 62 and name HA ))   
4.300  2.300  1.700  peak   1359  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.619   ppm2  4.913   CV     1  
 
ASSI  { 1374} 
   (( resid 82 and name HA ))   
   (( resid 63 and name HN ))   
3.700  1.700  1.700  peak   1374  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.156   ppm2  8.016   CV     1  
 
ASSI  { 1377} 
   (( resid 65 and name HN ))   
   (( resid 63 and name HA ))   
3.700  1.800  1.800  peak   1377  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.376   ppm2  5.185   CV     1  
 
ASSI  { 1379} 
   (( resid 64 and name HN ))   
   (( resid 63 and name HA ))   
2.800  1.000  1.000  peak   1379  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.812   ppm2  5.185   CV     1  
 
ASSI  { 1380} 
   (( resid 64 and name HA ))   
   (( resid 63 and name HA ))   
3.900  1.900  1.900  peak   1380  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.039   ppm2  5.185   CV     1  
 
ASSI  { 1381} 
   (( resid 64 and name HG ))   
   (( resid 63 and name HA ))   
5.600  3.900  0.400  peak   1381  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.905   ppm2  5.185   CV     1  
 
ASSI  { 1383} 
   (( resid 81 and name HN ))   
   (( resid 63 and name HA ))   
3.500  1.600  1.600  peak   1383  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.372   ppm2  5.185   CV     1  
 
ASSI  { 1384} 
   (( resid 82 and name HA ))   
   (( resid 63 and name HA ))   
3.100  1.200  1.200  peak   1384  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.156   ppm2  5.185   CV     1  
 
ASSI  { 1386} 
   (( resid 83 and name HN ))   
   (( resid 63 and name HA ))   
3.600  1.600  1.600  peak   1386  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.595   ppm2  5.185   CV     1  
 
ASSI  { 1395} 
   (( resid 82 and name HA ))   
   (( resid 63 and name HG3 ))   
4.600  2.700  1.400  peak   1395  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.156   ppm2  1.424   CV     1  
 
ASSI  { 1932} 
   (( resid 64 and name HN ))   
   (( resid 63 and name HG3 ))   
0.000  0.000  6.000  peak   1932  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.812   ppm2  1.424   CV     1  
 
ASSI  { 1933} 
   (( resid 82 and name HA ))   
   (( resid 63 and name HE3 ))   
0.000  0.000  6.000  peak   1933  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.156   ppm2  2.974   CV     1  
 
ASSI  { 1401} 
   (( resid 82 and name HB3 ))   
   (( resid 64 and name HN ))   
4.200  2.200  1.800  peak   1401  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.982   ppm2  8.812   CV     1  
 
ASSI  { 1406} 
   (( resid 65 and name HN ))   
   (( resid 64 and name HN ))   
3.200  1.300  1.300  peak   1406  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.376   ppm2  8.812   CV     1  
 
ASSI  { 1407} 
   (( resid 65 and name HA ))   
   (( resid 64 and name HN ))   
3.300  3.300  2.700  peak   1407  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.863   ppm2  8.812   CV     1  
 
ASSI  { 1408} 
   (( resid 65 and name HB ))   
   (( resid 64 and name HN ))   
4.000  2.000  2.000  peak   1408  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.996   ppm2  8.812   CV     1  
 
ASSI  { 1409} 
   (( resid 80 and name HA ))   
   (( resid 64 and name HN ))   
3.700  1.700  1.700  peak   1409  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.361   ppm2  8.812   CV     1  
 
ASSI  { 1410} 
   (( resid 81 and name HN ))   
   (( resid 64 and name HN ))   
2.700  0.900  0.900  peak   1410  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.372   ppm2  8.812   CV     1  
 
ASSI  { 1412} 
   (( resid 82 and name HA ))   
   (( resid 64 and name HN ))   
3.500  1.500  1.500  peak   1412  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.156   ppm2  8.812   CV     1  
 
ASSI  { 1414} 
   (( resid 65 and name HN ))   
   (( resid 64 and name HA ))   
2.800  1.000  1.000  peak   1414  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.376   ppm2  5.039   CV     1  
 
ASSI  { 1416} 
   (( resid 65 and name HB ))   
   (( resid 64 and name HA ))   
5.000  3.100  1.000  peak   1416  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.996   ppm2  5.039   CV     1  
 
ASSI  { 1432} 
   (( resid 81 and name HN ))   
   (( resid 64 and name HG ))   
3.200  3.200  2.800  peak   1432  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.372   ppm2  0.905   CV     1  
 
ASSI  { 1435} 
   (( resid 65 and name HN ))   
   (( resid 64 and name HG ))   
5.200  3.400  0.800  peak   1435  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.376   ppm2  0.905   CV     1  
 
ASSI  { 1440} 
   (( resid 66 and name HN ))   
   (( resid 65 and name HN ))   
3.200  1.300  1.300  peak   1440  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 10.13   ppm2  9.376   CV     1  
 
ASSI  { 1441} 
   (( resid 81 and name HN ))   
   (( resid 65 and name HA ))   
3.300  1.300  1.300  peak   1441  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.372   ppm2  4.863   CV     1  
 
ASSI  { 1444} 
   (( resid 66 and name HN ))   
   (( resid 65 and name HA ))   
2.900  1.100  1.100  peak   1444  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 10.13   ppm2  4.863   CV     1  
 
ASSI  { 1445} 
   (( resid 80 and name HA ))   
   (( resid 65 and name HA ))   
3.200  1.300  1.300  peak   1445  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.361   ppm2  4.863   CV     1  
 
ASSI  { 1446} 
   (( resid 81 and name HN ))   
   (( resid 65 and name HB ))   
3.100  3.100  2.900  peak   1446  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.372   ppm2  1.996   CV     1  
 
ASSI  { 1448} 
   (( resid 66 and name HN ))   
   (( resid 65 and name HB ))   
4.300  2.300  1.700  peak   1448  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 10.13   ppm2  1.996   CV     1  
 
ASSI  { 1452} 
   (( resid 78 and name HG2% ))   
   (( resid 66 and name HN ))   
4.100  2.100  1.900  peak   1452  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.928   ppm2  10.13   CV     1  
 
ASSI  { 1453} 
   (( resid 79 and name HN ))   
   (( resid 66 and name HN ))   
2.700  2.700  3.300  peak   1453  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.362   ppm2  10.13   CV     1  
 
ASSI  { 1966} 
   (( resid 67 and name HB2 ))   
   (( resid 66 and name HA2 ))   
0.000  0.000  6.000  peak   1966  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.475   ppm2  4.434   CV     1  
 
ASSI  { 1462} 
   (( resid 68 and name HA ))   
   (( resid 67 and name HN ))   
3.400  1.400  1.400  peak   1462  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.443   ppm2  7.491   CV     1  
 
ASSI  { 1465} 
   (( resid 78 and name HG2% ))   
   (( resid 67 and name HA ))   
4.600  2.600  1.400  peak   1465  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.928   ppm2  4.554   CV     1  
 
ASSI  { 1467} 
   (( resid 68 and name HN ))   
   (( resid 67 and name HA ))   
3.000  1.200  1.200  peak   1467  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.457   ppm2  4.554   CV     1  
 
ASSI  { 1975} 
   (( resid 68 and name HB3 ))   
   (( resid 67 and name HA ))   
0.000  0.000  6.000  peak   1975  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.859   ppm2  4.554   CV     1  
 
ASSI  { 1470} 
   (( resid 78 and name HA ))   
   (( resid 67 and name HA ))   
3.300  1.300  1.300  peak   1470  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.041   ppm2  4.554   CV     1  
 
ASSI  { 1471} 
   (( resid 78 and name HB ))   
   (( resid 67 and name HA ))   
4.900  3.000  1.100  peak   1471  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.908   ppm2  4.554   CV     1  
 
ASSI  { 1474} 
   (( resid 79 and name HN ))   
   (( resid 67 and name HB3 ))   
3.200  3.200  2.800  peak   1474  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.362   ppm2  1.600   CV     1  
 
ASSI  { 1979} 
   (( resid 79 and name HN ))   
   (( resid 67 and name HB2 ))   
0.000  0.000  6.000  peak   1979  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.362   ppm2  1.475   CV     1  
 
ASSI  { 1477} 
   (( resid 78 and name HA ))   
   (( resid 67 and name HB3 ))   
5.000  3.100  1.000  peak   1477  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.041   ppm2  1.600   CV     1  
 
ASSI  { 1983} 
   (( resid 78 and name HA ))   
   (( resid 67 and name HB2 ))   
0.000  0.000  6.000  peak   1983  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.041   ppm2  1.475   CV     1  
 
ASSI  { 1480} 
   (( resid 78 and name HD1% ))   
   (( resid 67 and name HB3 ))   
4.700  2.700  1.300  peak   1480  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.886   ppm2  1.600   CV     1  
 
ASSI  { 1988} 
   (( resid 68 and name HA ))   
   (( resid 67 and name HB3 ))   
0.000  0.000  6.000  peak   1988  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.443   ppm2  1.600   CV     1  
 
ASSI  { 1495} 
   (( resid 76 and name HA ))   
   (( resid 68 and name HN ))   
3.500  1.600  1.600  peak   1495  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.963   ppm2  8.457   CV     1  
 
ASSI  { 1496} 
   (( resid 77 and name HN ))   
   (( resid 68 and name HN ))   
2.800  1.000  1.000  peak   1496  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.726   ppm2  8.457   CV     1  
 
ASSI  { 1497} 
   (( resid 78 and name HN ))   
   (( resid 68 and name HN ))   
3.100  3.100  2.900  peak   1497  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.288   ppm2  8.457   CV     1  
 
ASSI  { 1498} 
   (( resid 78 and name HA ))   
   (( resid 68 and name HN ))   
3.100  1.200  1.200  peak   1498  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.041   ppm2  8.457   CV     1  
 
ASSI  { 1499} 
   (( resid 78 and name HB ))   
   (( resid 68 and name HN ))   
4.400  2.400  1.600  peak   1499  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.908   ppm2  8.457   CV     1  
 
ASSI  { 1500} 
   (( resid 78 and name HG2% ))   
   (( resid 68 and name HN ))   
5.100  3.200  0.900  peak   1500  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.928   ppm2  8.457   CV     1  
 
ASSI  { 1504} 
   (( resid 78 and name HA ))   
   (( resid 68 and name HB2 ))   
3.600  1.600  1.600  peak   1504  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.041   ppm2  3.003   CV     1  
 
ASSI  { 1515} 
   (( resid 70 and name HA ))   
   (( resid 69 and name HN ))   
3.500  1.500  1.500  peak   1515  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.528   ppm2  9.206   CV     1  
 
ASSI  { 1516} 
   (( resid 76 and name HA ))   
   (( resid 69 and name HN ))   
3.500  1.500  1.500  peak   1516  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.963   ppm2  9.206   CV     1  
 
ASSI  { 1517} 
   (( resid 77 and name HN ))   
   (( resid 69 and name HA ))   
3.100  1.200  1.200  peak   1517  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.726   ppm2  5.099   CV     1  
 
ASSI  { 1518} 
   (( resid 70 and name HN ))   
   (( resid 69 and name HA ))   
2.800  1.000  1.000  peak   1518  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.962   ppm2  5.099   CV     1  
 
ASSI  { 1519} 
   (( resid 70 and name HA ))   
   (( resid 69 and name HA ))   
4.100  2.100  1.900  peak   1519  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.528   ppm2  5.099   CV     1  
 
ASSI  { 1521} 
   (( resid 75 and name HN ))   
   (( resid 69 and name HA ))   
3.500  1.600  1.600  peak   1521  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.164   ppm2  5.099   CV     1  
 
ASSI  { 2014} 
   (( resid  and name  ))   
   (( resid 69 and name HA ))   
0.000  0.000  6.000  peak   2014  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  5.099   CV     1  
 
ASSI  { 1524} 
   (( resid 76 and name HA ))   
   (( resid 69 and name HA ))   
3.100  1.200  1.200  peak   1524  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.963   ppm2  5.099   CV     1  
 
ASSI  { 1544} 
   (( resid 71 and name HN ))   
   (( resid 70 and name HN ))   
2.900  1.000  1.000  peak   1544  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.277   ppm2  8.962   CV     1  
 
ASSI  { 1545} 
   (( resid 73 and name HN ))   
   (( resid 70 and name HN ))   
3.300  3.300  2.700  peak   1545  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.442   ppm2  8.962   CV     1  
 
ASSI  { 1546} 
   (( resid 74 and name HN ))   
   (( resid 70 and name HN ))   
3.200  3.200  2.800  peak   1546  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.951   ppm2  8.962   CV     1  
 
ASSI  { 1547} 
   (( resid 75 and name HN ))   
   (( resid 70 and name HN ))   
2.800  1.000  1.000  peak   1547  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.164   ppm2  8.962   CV     1  
 
ASSI  { 1548} 
   (( resid 75 and name HA ))   
   (( resid 70 and name HN ))   
3.300  1.300  1.300  peak   1548  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.323   ppm2  8.962   CV     1  
 
ASSI  { 2030} 
   (( resid  and name  ))   
   (( resid 70 and name HN ))   
0.000  0.000  6.000  peak   2030  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  8.962   CV     1  
 
ASSI  { 1550} 
   (( resid  and name  ))   
   (( resid 70 and name HN ))   
4.400  2.400  1.600  peak   1550  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  8.962   CV     1  
 
ASSI  { 1551} 
   (( resid 76 and name HN ))   
   (( resid 70 and name HN ))   
2.800  1.000  1.000  peak   1551  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.486   ppm2  8.962   CV     1  
 
ASSI  { 1552} 
   (( resid 76 and name HA ))   
   (( resid 70 and name HN ))   
3.400  1.500  1.500  peak   1552  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.963   ppm2  8.962   CV     1  
 
ASSI  { 1553} 
   (( resid 77 and name HN ))   
   (( resid 70 and name HA ))   
2.700  2.700  3.300  peak   1553  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.726   ppm2  4.528   CV     1  
 
ASSI  { 1554} 
   (( resid 71 and name HN ))   
   (( resid 70 and name HA ))   
3.100  1.200  1.200  peak   1554  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.277   ppm2  4.528   CV     1  
 
ASSI  { 1555} 
   (( resid 72 and name HN ))   
   (( resid 70 and name HA ))   
3.200  1.300  1.300  peak   1555  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.015   ppm2  4.528   CV     1  
 
ASSI  { 1556} 
   (( resid 72 and name HB2 ))   
   (( resid 70 and name HA ))   
5.000  3.100  1.000  peak   1556  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.513   ppm2  4.528   CV     1  
 
ASSI  { 1557} 
   (( resid 73 and name HN ))   
   (( resid 70 and name HA ))   
3.500  1.500  1.500  peak   1557  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.442   ppm2  4.528   CV     1  
 
ASSI  { 1565} 
   (( resid 77 and name HN ))   
   (( resid 70 and name HN ))   
3.200  1.300  1.300  peak   1565  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.726   ppm2  8.962   CV     1  
 
ASSI  { 1578} 
   (( resid 72 and name HN ))   
   (( resid 70 and name HN ))   
3.200  3.200  2.800  peak   1578  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.015   ppm2  8.962   CV     1  
 
ASSI  { 1591} 
   (( resid 73 and name HN ))   
   (( resid 71 and name HN ))   
3.200  3.200  2.800  peak   1591  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.442   ppm2  8.277   CV     1  
 
ASSI  { 1593} 
   (( resid 72 and name HN ))   
   (( resid 71 and name HN ))   
2.800  1.000  1.000  peak   1593  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.015   ppm2  8.277   CV     1  
 
ASSI  { 1594} 
   (( resid 72 and name HB2 ))   
   (( resid 71 and name HN ))   
4.800  2.900  1.200  peak   1594  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.513   ppm2  8.277   CV     1  
 
ASSI  { 1595} 
   (( resid 73 and name HN ))   
   (( resid 71 and name HA ))   
3.500  1.500  1.500  peak   1595  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.442   ppm2  3.712   CV     1  
 
ASSI  { 1596} 
   (( resid 72 and name HN ))   
   (( resid 71 and name HA ))   
3.400  1.500  1.500  peak   1596  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.015   ppm2  3.712   CV     1  
 
ASSI  { 1599} 
   (( resid 75 and name HN ))   
   (( resid 71 and name HB ))   
3.700  3.700  2.300  peak   1599  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.164   ppm2  1.993   CV     1  
 
ASSI  { 1600} 
   (( resid 70 and name HA ))   
   (( resid 71 and name HB ))   
4.800  2.900  1.200  peak   1600  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.528   ppm2  1.993   CV     1  
 
ASSI  { 1601} 
   (( resid 73 and name HN ))   
   (( resid 71 and name HB ))   
3.800  1.800  1.800  peak   1601  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.442   ppm2  1.993   CV     1  
 
ASSI  { 1606} 
   (( resid 74 and name HN ))   
   (( resid 72 and name HN ))   
3.500  1.500  1.500  peak   1606  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.951   ppm2  9.015   CV     1  
 
ASSI  { 1607} 
   (( resid 75 and name HN ))   
   (( resid 72 and name HA ))   
2.800  2.800  3.200  peak   1607  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.164   ppm2  4.311   CV     1  
 
ASSI  { 1609} 
   (( resid 73 and name HN ))   
   (( resid 72 and name HA ))   
3.300  1.400  1.400  peak   1609  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.442   ppm2  4.311   CV     1  
 
ASSI  { 1610} 
   (( resid 74 and name HN ))   
   (( resid 72 and name HB3 ))   
4.300  2.300  1.700  peak   1610  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.951   ppm2  1.773   CV     1  
 
ASSI  { 1614} 
   (( resid 74 and name HN ))   
   (( resid 73 and name HN ))   
2.500  0.800  0.800  peak   1614  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.951   ppm2  8.442   CV     1  
 
ASSI  { 1616} 
   (( resid 75 and name HN ))   
   (( resid 73 and name HN ))   
3.200  1.300  1.300  peak   1616  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.164   ppm2  8.442   CV     1  
 
ASSI  { 1617} 
   (( resid 75 and name HA ))   
   (( resid 73 and name HN ))   
4.100  2.100  1.900  peak   1617  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.323   ppm2  8.442   CV     1  
 
ASSI  { 1618} 
   (( resid  and name  ))   
   (( resid 73 and name HA ))   
3.300  3.300  2.700  peak   1618  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  4.865   CV     1  
 
ASSI  { 1620} 
   (( resid 74 and name HN ))   
   (( resid 73 and name HA ))   
3.500  1.500  1.500  peak   1620  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.951   ppm2  4.865   CV     1  
 
ASSI  { 1628} 
   (( resid 75 and name HN ))   
   (( resid 74 and name HN ))   
2.800  0.900  0.900  peak   1628  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.164   ppm2  7.951   CV     1  
 
ASSI  { 1629} 
   (( resid 75 and name HA ))   
   (( resid 74 and name HN ))   
4.200  2.200  1.800  peak   1629  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.323   ppm2  7.951   CV     1  
 
ASSI  { 1630} 
   (( resid  and name  ))   
   (( resid 74 and name HN ))   
4.000  2.000  2.000  peak   1630  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  7.951   CV     1  
 
ASSI  { 1631} 
   (( resid 76 and name HN ))   
   (( resid 74 and name HA1 ))   
3.700  1.700  1.700  peak   1631  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.486   ppm2  4.142   CV     1  
 
ASSI  { 1642} 
   (( resid 76 and name HN ))   
   (( resid 75 and name HA ))   
3.400  1.400  1.400  peak   1642  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.486   ppm2  4.323   CV     1  
 
ASSI  { 1655} 
   (( resid 95 and name HN ))   
   (( resid 76 and name HN ))   
2.300  2.300  3.700  peak   1655  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.525   ppm2  8.486   CV     1  
 
ASSI  { 1659} 
   (( resid 73 and name HN ))   
   (( resid 76 and name HN ))   
3.700  3.700  2.300  peak   1659  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.442   ppm2  8.486   CV     1  
 
ASSI  { 1661} 
   (( resid 77 and name HN ))   
   (( resid 76 and name HA ))   
2.900  1.000  1.000  peak   1661  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.726   ppm2  4.963   CV     1  
 
ASSI  { 1664} 
   (( resid 78 and name HG13 ))   
   (( resid 76 and name HA ))   
4.500  2.500  1.500  peak   1664  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.601   ppm2  4.963   CV     1  
 
ASSI  { 1670} 
   (( resid 78 and name HN ))   
   (( resid 76 and name HB3 ))   
3.800  1.800  1.800  peak   1670  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.288   ppm2  2.071   CV     1  
 
ASSI  { 1673} 
   (( resid 93 and name HG2% ))   
   (( resid 76 and name HB3 ))   
5.500  3.800  0.500  peak   1673  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.141   ppm2  2.071   CV     1  
 
ASSI  { 1679} 
   (( resid 78 and name HG13 ))   
   (( resid 77 and name HN ))   
3.800  1.800  1.800  peak   1679  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.601   ppm2  8.726   CV     1  
 
ASSI  { 1682} 
   (( resid 95 and name HN ))   
   (( resid 77 and name HA ))   
2.400  2.400  3.600  peak   1682  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.525   ppm2  5.116   CV     1  
 
ASSI  { 1683} 
   (( resid 78 and name HA ))   
   (( resid 77 and name HA ))   
4.000  2.000  2.000  peak   1683  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.041   ppm2  5.116   CV     1  
 
ASSI  { 1684} 
   (( resid 78 and name HB ))   
   (( resid 77 and name HA ))   
5.200  3.400  0.800  peak   1684  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.908   ppm2  5.116   CV     1  
 
ASSI  { 1685} 
   (( resid 92 and name HB2 ))   
   (( resid 77 and name HA ))   
4.400  2.400  1.600  peak   1685  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.011   ppm2  5.116   CV     1  
 
ASSI  { 2095} 
   (( resid 92 and name HB3 ))   
   (( resid 77 and name HA ))   
0.000  0.000  6.000  peak   2095  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.216   ppm2  5.116   CV     1  
 
ASSI  { 1686} 
   (( resid 94 and name HA ))   
   (( resid 77 and name HA ))   
3.800  1.800  1.800  peak   1686  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.996   ppm2  5.116   CV     1  
 
ASSI  { 1691} 
   (( resid 78 and name HN ))   
   (( resid 77 and name HA ))   
2.900  1.100  1.100  peak   1691  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.288   ppm2  5.116   CV     1  
 
ASSI  { 1694} 
   (( resid 78 and name HN ))   
   (( resid 77 and name HG ))   
4.200  2.200  1.800  peak   1694  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.288   ppm2  1.622   CV     1  
 
ASSI  { 1704} 
   (( resid 93 and name HN ))   
   (( resid 78 and name HN ))   
2.800  1.000  1.000  peak   1704  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.520   ppm2  8.288   CV     1  
 
ASSI  { 1705} 
   (( resid 93 and name HB ))   
   (( resid 78 and name HN ))   
4.000  2.000  2.000  peak   1705  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.030   ppm2  8.288   CV     1  
 
ASSI  { 1706} 
   (( resid 93 and name HG2% ))   
   (( resid 78 and name HN ))   
4.700  2.800  1.300  peak   1706  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.141   ppm2  8.288   CV     1  
 
ASSI  { 1707} 
   (( resid 94 and name HA ))   
   (( resid 78 and name HN ))   
3.200  1.300  1.300  peak   1707  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.996   ppm2  8.288   CV     1  
 
ASSI  { 2104} 
   (( resid 94 and name HB2 ))   
   (( resid 78 and name HN ))   
0.000  0.000  6.000  peak   2104  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.049   ppm2  8.288   CV     1  
 
ASSI  { 1711} 
   (( resid 79 and name HN ))   
   (( resid 78 and name HA ))   
2.900  1.100  1.100  peak   1711  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.362   ppm2  5.041   CV     1  
 
ASSI  { 1714} 
   (( resid 93 and name HB ))   
   (( resid 78 and name HB ))   
3.800  1.800  1.800  peak   1714  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.030   ppm2  1.908   CV     1  
 
ASSI  { 1717} 
   (( resid 79 and name HN ))   
   (( resid 78 and name HB ))   
4.200  2.200  1.800  peak   1717  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.362   ppm2  1.908   CV     1  
 
ASSI  { 1718} 
   (( resid 80 and name HN ))   
   (( resid 78 and name HB ))   
4.500  2.500  1.500  peak   1718  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.079   ppm2  1.908   CV     1  
 
ASSI  { 1719} 
   (( resid 92 and name HA ))   
   (( resid 78 and name HB ))   
4.900  3.000  1.100  peak   1719  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.698   ppm2  1.908   CV     1  
 
ASSI  { 1722} 
   (( resid 78 and name HN ))   
   (( resid 79 and name HN ))   
3.400  1.400  1.400  peak   1722  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.288   ppm2  9.362   CV     1  
 
ASSI  { 1725} 
   (( resid 80 and name HA ))   
   (( resid 79 and name HN ))   
3.100  3.100  2.900  peak   1725  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.361   ppm2  9.362   CV     1  
 
ASSI  { 1726} 
   (( resid 92 and name HA ))   
   (( resid 79 and name HN ))   
3.600  1.600  1.600  peak   1726  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.698   ppm2  9.362   CV     1  
 
ASSI  { 1727} 
   (( resid 93 and name HN ))   
   (( resid 79 and name HA ))   
3.100  1.200  1.200  peak   1727  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.520   ppm2  5.624   CV     1  
 
ASSI  { 1728} 
   (( resid 80 and name HA ))   
   (( resid 79 and name HA ))   
3.800  1.800  1.800  peak   1728  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.361   ppm2  5.624   CV     1  
 
ASSI  { 1729} 
   (( resid 80 and name HB ))   
   (( resid 79 and name HA ))   
4.900  3.000  1.100  peak   1729  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.193   ppm2  5.624   CV     1  
 
ASSI  { 1730} 
   (( resid  and name  ))   
   (( resid 79 and name HA ))   
4.100  2.100  1.900  peak   1730  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  5.624   CV     1  
 
ASSI  { 1732} 
   (( resid 92 and name HN ))   
   (( resid 79 and name HA ))   
3.500  1.500  1.500  peak   1732  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.004   ppm2  5.624   CV     1  
 
ASSI  { 1733} 
   (( resid 92 and name HA ))   
   (( resid 79 and name HA ))   
3.000  1.100  1.100  peak   1733  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.698   ppm2  5.624   CV     1  
 
ASSI  { 1740} 
   (( resid 91 and name HN ))   
   (( resid 80 and name HN ))   
2.700  0.900  0.900  peak   1740  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.407   ppm2  9.079   CV     1  
 
ASSI  { 1741} 
   (( resid 91 and name HB ))   
   (( resid 80 and name HN ))   
3.500  1.500  1.500  peak   1741  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.031   ppm2  9.079   CV     1  
 
ASSI  { 1742} 
   (( resid 92 and name HA ))   
   (( resid 80 and name HN ))   
3.700  1.700  1.700  peak   1742  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.698   ppm2  9.079   CV     1  
 
ASSI  { 1743} 
   (( resid 93 and name HN ))   
   (( resid 80 and name HN ))   
3.400  1.400  1.400  peak   1743  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.520   ppm2  9.079   CV     1  
 
ASSI  { 1744} 
   (( resid 93 and name HB ))   
   (( resid 80 and name HN ))   
2.600  2.600  3.400  peak   1744  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.030   ppm2  9.079   CV     1  
 
ASSI  { 1747} 
   (( resid 81 and name HN ))   
   (( resid 80 and name HA ))   
2.900  1.000  1.000  peak   1747  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.372   ppm2  5.361   CV     1  
 
ASSI  { 1750} 
   (( resid 81 and name HN ))   
   (( resid 80 and name HB ))   
4.300  2.300  1.700  peak   1750  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.372   ppm2  2.193   CV     1  
 
ASSI  { 1751} 
   (( resid 81 and name HA ))   
   (( resid 80 and name HB ))   
4.200  2.200  1.800  peak   1751  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.272   ppm2  2.193   CV     1  
 
ASSI  { 1753} 
   (( resid 91 and name HB ))   
   (( resid 80 and name HB ))   
4.700  2.800  1.300  peak   1753  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.031   ppm2  2.193   CV     1  
 
ASSI  { 1754} 
   (( resid 93 and name HN ))   
   (( resid 80 and name HB ))   
2.800  2.800  3.200  peak   1754  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.520   ppm2  2.193   CV     1  
 
ASSI  { 1757} 
   (( resid 82 and name HA ))   
   (( resid 81 and name HA ))   
4.000  2.000  2.000  peak   1757  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.156   ppm2  5.272   CV     1  
 
ASSI  { 1760} 
   (( resid 82 and name HN ))   
   (( resid 81 and name HA ))   
3.000  1.100  1.100  peak   1760  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.902   ppm2  5.272   CV     1  
 
ASSI  { 1763} 
   (( resid 90 and name HA ))   
   (( resid 81 and name HA ))   
2.900  1.100  1.100  peak   1763  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.798   ppm2  5.272   CV     1  
 
ASSI  { 1764} 
   (( resid 91 and name HN ))   
   (( resid 81 and name HA ))   
3.500  1.500  1.500  peak   1764  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.407   ppm2  5.272   CV     1  
 
ASSI  { 1788} 
   (( resid 91 and name HG2% ))   
   (( resid 81 and name HA ))   
3.700  1.700  1.700  peak   1788  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.142   ppm2  5.272   CV     1  
 
ASSI  { 1789} 
   (( resid 82 and name HB3 ))   
   (( resid 81 and name HA ))   
4.400  2.400  1.600  peak   1789  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.982   ppm2  5.272   CV     1  
 
ASSI  { 2138} 
   (( resid  and name  ))   
   (( resid 81 and name HA ))   
0.000  0.000  6.000  peak   2138  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  5.272   CV     1  
 
ASSI  { 1791} 
   (( resid 89 and name HN ))   
   (( resid 81 and name HA ))   
3.200  1.300  1.300  peak   1791  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.536   ppm2  5.272   CV     1  
 
ASSI  { 1794} 
   (( resid 90 and name HA ))   
   (( resid 82 and name HN ))   
3.800  1.800  1.800  peak   1794  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.798   ppm2  8.902   CV     1  
 
ASSI  { 1797} 
   (( resid 83 and name HN ))   
   (( resid 82 and name HN ))   
3.300  1.400  1.400  peak   1797  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.595   ppm2  8.902   CV     1  
 
ASSI  { 1802} 
   (( resid 89 and name HN ))   
   (( resid 82 and name HN ))   
2.600  0.800  0.800  peak   1802  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.536   ppm2  8.902   CV     1  
 
ASSI  { 1805} 
   (( resid 83 and name HN ))   
   (( resid 82 and name HA ))   
2.900  1.100  1.100  peak   1805  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.595   ppm2  5.156   CV     1  
 
ASSI  { 1806} 
   (( resid 83 and name HA ))   
   (( resid 82 and name HA ))   
3.900  1.900  1.900  peak   1806  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.694   ppm2  5.156   CV     1  
 
ASSI  { 1815} 
   (( resid 84 and name HN ))   
   (( resid 83 and name HA ))   
2.900  1.100  1.100  peak   1815  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.967   ppm2  4.694   CV     1  
 
ASSI  { 1816} 
   (( resid 84 and name HA ))   
   (( resid 83 and name HA ))   
4.200  2.200  1.800  peak   1816  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.689   ppm2  4.694   CV     1  
 
ASSI  { 1818} 
   (( resid 85 and name HN ))   
   (( resid 83 and name HA ))   
4.200  2.200  1.800  peak   1818  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.130   ppm2  4.694   CV     1  
 
ASSI  { 1819} 
   (( resid 87 and name HN ))   
   (( resid 83 and name HA ))   
3.500  1.500  1.500  peak   1819  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.312   ppm2  4.694   CV     1  
 
ASSI  { 1820} 
   (( resid 87 and name HA ))   
   (( resid 83 and name HA ))   
3.800  3.800  2.200  peak   1820  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.275   ppm2  4.694   CV     1  
 
ASSI  { 1822} 
   (( resid 88 and name HA ))   
   (( resid 83 and name HA ))   
3.400  1.400  1.400  peak   1822  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.725   ppm2  4.694   CV     1  
 
ASSI  { 1824} 
   (( resid 88 and name HG ))   
   (( resid 83 and name HA ))   
5.300  3.500  0.700  peak   1824  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.877   ppm2  4.694   CV     1  
 
ASSI  { 1827} 
   (( resid 84 and name HN ))   
   (( resid 83 and name HB ))   
4.700  2.700  1.300  peak   1827  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.967   ppm2  1.619   CV     1  
 
ASSI  { 1832} 
   (( resid 85 and name HN ))   
   (( resid 84 and name HN ))   
3.300  1.400  1.400  peak   1832  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.130   ppm2  8.967   CV     1  
 
ASSI  { 1833} 
   (( resid 87 and name HN ))   
   (( resid 84 and name HN ))   
2.900  1.000  1.000  peak   1833  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.312   ppm2  8.967   CV     1  
 
ASSI  { 1839} 
   (( resid 102 and name HA ))   
   (( resid 89 and name HG2% ))   
4.400  2.400  1.600  peak   1839  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.781   ppm2  1.125   CV     1  
 
ASSI  { 1840} 
   (( resid 90 and name HA ))   
   (( resid 89 and name HG2% ))   
4.600  2.700  1.400  peak   1840  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.798   ppm2  1.125   CV     1  
 
ASSI  { 1841} 
   (( resid 90 and name HN ))   
   (( resid 89 and name HG2% ))   
4.300  2.400  1.700  peak   1841  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.514   ppm2  1.125   CV     1  
 
ASSI  { 1842} 
   (( resid 101 and name HN ))   
   (( resid 89 and name HG2% ))   
4.200  2.200  1.800  peak   1842  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.316   ppm2  1.125   CV     1  
 
ASSI  { 1843} 
   (( resid 102 and name HN ))   
   (( resid 89 and name HG2% ))   
4.800  2.800  1.200  peak   1843  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.502   ppm2  1.125   CV     1  
 
ASSI  { 1845} 
   (( resid 99 and name HN ))   
   (( resid 91 and name HG2% ))   
4.500  2.500  1.500  peak   1845  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.242   ppm2  1.142   CV     1  
 
ASSI  { 1846} 
   (( resid 99 and name HA ))   
   (( resid 91 and name HG2% ))   
4.900  3.000  1.100  peak   1846  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.854   ppm2  1.142   CV     1  
 
ASSI  { 1847} 
   (( resid 99 and name HB% ))   
   (( resid 91 and name HG2% ))   
5.800  4.200  0.200  peak   1847  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.524   ppm2  1.142   CV     1  
 
ASSI  { 1848} 
   (( resid 100 and name HN ))   
   (( resid 91 and name HG2% ))   
4.200  2.200  1.800  peak   1848  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.913   ppm2  1.142   CV     1  
 
ASSI  { 1850} 
   (( resid 92 and name HE% ))   
   (( resid 91 and name HG2% ))   
3.300  3.300  2.700  peak   1850  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.619   ppm2  1.142   CV     1  
 
ASSI  { 1853} 
   (( resid 95 and name HN ))   
   (( resid 94 and name HE% ))   
3.200  1.300  1.300  peak   1853  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.525   ppm2  6.566   CV     1  
 
ASSI  { 2171} 
   (( resid 100 and name HG3 ))   
   (( resid 99 and name HB% ))   
0.000  0.000  6.000  peak   2171  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.404   ppm2  1.524   CV     1  
 
ASSI  { 1856} 
   (( resid 100 and name HN ))   
   (( resid 99 and name HB% ))   
4.300  2.300  1.700  peak   1856  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.913   ppm2  1.524   CV     1  
 
ASSI  { 1878} 
   (( resid 86 and name HB3 ))   
   (( resid 85 and name HA1 ))   
3.100  3.100  2.900  peak   1878  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.190   ppm2  4.027   CV     1  
 
ASSI  { 2182} 
   (( resid 86 and name HB2 ))   
   (( resid 85 and name HA1 ))   
0.000  0.000  6.000  peak   2182  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.988   ppm2  4.027   CV     1  
 
ASSI  { 1879} 
   (( resid 87 and name HN ))   
   (( resid 86 and name HN ))   
3.100  1.200  1.200  peak   1879  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.312   ppm2  8.850   CV     1  
 
ASSI  { 1883} 
   (( resid 87 and name HA ))   
   (( resid 86 and name HN ))   
3.500  1.500  1.500  peak   1883  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.275   ppm2  8.850   CV     1  
 
ASSI  { 2186} 
   (( resid 87 and name HB3 ))   
   (( resid 86 and name HN ))   
0.000  0.000  6.000  peak   2186  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.257   ppm2  8.850   CV     1  
 
ASSI  { 1888} 
   (( resid 87 and name HN ))   
   (( resid 86 and name HA ))   
3.100  1.200  1.200  peak   1888  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.312   ppm2  4.910   CV     1  
 
ASSI  { 1889} 
   (( resid 87 and name HA ))   
   (( resid 86 and name HA ))   
4.000  2.000  2.000  peak   1889  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.275   ppm2  4.910   CV     1  
 
ASSI  { 2192} 
   (( resid 87 and name HA ))   
   (( resid 86 and name HB3 ))   
0.000  0.000  6.000  peak   2192  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.275   ppm2  3.190   CV     1  
 
ASSI  { 1901} 
   (( resid 88 and name HA ))   
   (( resid 87 and name HA ))   
3.700  1.800  1.800  peak   1901  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.725   ppm2  5.275   CV     1  
 
ASSI  { 1903} 
   (( resid 88 and name HN ))   
   (( resid 87 and name HA ))   
3.000  1.100  1.100  peak   1903  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.662   ppm2  5.275   CV     1  
 
ASSI  { 1905} 
   (( resid 104 and name HA ))   
   (( resid 87 and name HA ))   
3.300  1.400  1.400  peak   1905  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.383   ppm2  5.275   CV     1  
 
ASSI  { 1906} 
   (( resid 104 and name HB3 ))   
   (( resid 87 and name HA ))   
5.000  3.100  1.000  peak   1906  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.124   ppm2  5.275   CV     1  
 
ASSI  { 2197} 
   (( resid 104 and name HB2 ))   
   (( resid 87 and name HA ))   
0.000  0.000  6.000  peak   2197  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.124   ppm2  5.275   CV     1  
 
ASSI  { 1907} 
   (( resid 105 and name HN ))   
   (( resid 87 and name HA ))   
3.000  1.100  1.100  peak   1907  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.686   ppm2  5.275   CV     1  
 
ASSI  { 1908} 
   (( resid 105 and name HA ))   
   (( resid 87 and name HA ))   
3.400  1.500  1.500  peak   1908  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.012   ppm2  5.275   CV     1  
 
ASSI  { 1909} 
   (( resid 105 and name HB2 ))   
   (( resid 87 and name HB2 ))   
4.100  2.100  1.900  peak   1909  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.506   ppm2  2.008   CV     1  
 
ASSI  { 2201} 
   (( resid 105 and name HB3 ))   
   (( resid 87 and name HB2 ))   
0.000  0.000  6.000  peak   2201  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.605   ppm2  2.008   CV     1  
 
ASSI  { 1910} 
   (( resid 103 and name HA ))   
   (( resid 87 and name HB3 ))   
5.400  5.400  0.600  peak   1910  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.580   ppm2  2.257   CV     1  
 
ASSI  { 1911} 
   (( resid 88 and name HN ))   
   (( resid 87 and name HB3 ))   
4.700  2.700  1.300  peak   1911  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.662   ppm2  2.257   CV     1  
 
ASSI  { 1912} 
   (( resid 88 and name HA ))   
   (( resid 87 and name HB3 ))   
5.100  3.300  0.900  peak   1912  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.725   ppm2  2.257   CV     1  
 
ASSI  { 2211} 
   (( resid 104 and name HN ))   
   (( resid 87 and name HB2 ))   
0.000  0.000  6.000  peak   2211  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.765   ppm2  2.008   CV     1  
 
ASSI  { 1914} 
   (( resid 104 and name HA ))   
   (( resid 87 and name HB3 ))   
3.600  1.600  1.600  peak   1914  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.383   ppm2  2.257   CV     1  
 
ASSI  { 2215} 
   (( resid 105 and name HN ))   
   (( resid 87 and name HB3 ))   
0.000  0.000  6.000  peak   2215  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.686   ppm2  2.257   CV     1  
 
ASSI  { 1922} 
   (( resid 104 and name HB2 ))   
   (( resid 87 and name HB3 ))   
5.700  4.100  0.300  peak   1922  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.124   ppm2  2.257   CV     1  
 
ASSI  { 2219} 
   (( resid 104 and name HB3 ))   
   (( resid 87 and name HB3 ))   
0.000  0.000  6.000  peak   2219  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.124   ppm2  2.257   CV     1  
 
ASSI  { 1924} 
   (( resid 105 and name HN ))   
   (( resid 88 and name HN ))   
3.500  1.600  1.600  peak   1924  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.686   ppm2  8.662   CV     1  
 
ASSI  { 1925} 
   (( resid 89 and name HN ))   
   (( resid 88 and name HN ))   
3.300  1.400  1.400  peak   1925  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.536   ppm2  8.662   CV     1  
 
ASSI  { 2225} 
   (( resid 103 and name HB2 ))   
   (( resid 88 and name HN ))   
0.000  0.000  6.000  peak   2225  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.534   ppm2  8.662   CV     1  
 
ASSI  { 1927} 
   (( resid 104 and name HN ))   
   (( resid 88 and name HN ))   
3.000  1.200  1.200  peak   1927  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.765   ppm2  8.662   CV     1  
 
ASSI  { 1928} 
   (( resid 104 and name HA ))   
   (( resid 88 and name HN ))   
3.200  1.300  1.300  peak   1928  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.383   ppm2  8.662   CV     1  
 
ASSI  { 1933} 
   (( resid 89 and name HA ))   
   (( resid 88 and name HA ))   
4.100  2.100  1.900  peak   1933  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.566   ppm2  4.725   CV     1  
 
ASSI  { 1934} 
   (( resid 89 and name HB ))   
   (( resid 88 and name HA ))   
4.900  3.000  1.100  peak   1934  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.983   ppm2  4.725   CV     1  
 
ASSI  { 1940} 
   (( resid 89 and name HN ))   
   (( resid 88 and name HA ))   
2.900  1.100  1.100  peak   1940  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.536   ppm2  4.725   CV     1  
 
ASSI  { 1943} 
   (( resid 89 and name HN ))   
   (( resid 88 and name HG ))   
4.100  2.100  1.900  peak   1943  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.536   ppm2  0.877   CV     1  
 
ASSI  { 1944} 
   (( resid 89 and name HB ))   
   (( resid 88 and name HG ))   
6.000  4.800  0.000  peak   1944  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.983   ppm2  0.877   CV     1  
 
ASSI  { 1946} 
   (( resid 90 and name HB3 ))   
   (( resid 88 and name HG ))   
5.900  4.300  0.100  peak   1946  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.462   ppm2  0.877   CV     1  
 
ASSI  { 1947} 
   (( resid 90 and name HB2 ))   
   (( resid 88 and name HG ))   
4.900  3.000  1.100  peak   1947  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.215   ppm2  0.877   CV     1  
 
ASSI  { 1950} 
   (( resid 90 and name HN ))   
   (( resid 89 and name HN ))   
3.200  1.300  1.300  peak   1950  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.514   ppm2  9.536   CV     1  
 
ASSI  { 1951} 
   (( resid 90 and name HA ))   
   (( resid 89 and name HN ))   
3.000  3.000  3.000  peak   1951  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.798   ppm2  9.536   CV     1  
 
ASSI  { 1952} 
   (( resid 103 and name HN ))   
   (( resid 89 and name HA ))   
3.000  1.100  1.100  peak   1952  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.725   ppm2  4.566   CV     1  
 
ASSI  { 1956} 
   (( resid 90 and name HN ))   
   (( resid 89 and name HA ))   
3.000  1.100  1.100  peak   1956  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.514   ppm2  4.566   CV     1  
 
ASSI  { 1957} 
   (( resid 90 and name HB3 ))   
   (( resid 89 and name HA ))   
4.700  2.700  1.300  peak   1957  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.462   ppm2  4.566   CV     1  
 
ASSI  { 1958} 
   (( resid 102 and name HG13 ))   
   (( resid 89 and name HA ))   
4.700  2.800  1.300  peak   1958  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.977   ppm2  4.566   CV     1  
 
ASSI  { 1959} 
   (( resid 103 and name HA ))   
   (( resid 89 and name HA ))   
4.300  2.300  1.700  peak   1959  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.580   ppm2  4.566   CV     1  
 
ASSI  { 1960} 
   (( resid 103 and name HB3 ))   
   (( resid 89 and name HB ))   
3.600  3.600  2.400  peak   1960  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.216   ppm2  1.983   CV     1  
 
ASSI  { 1963} 
   (( resid 90 and name HN ))   
   (( resid 89 and name HB ))   
3.900  1.900  1.900  peak   1963  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.514   ppm2  1.983   CV     1  
 
ASSI  { 1964} 
   (( resid 90 and name HA ))   
   (( resid 89 and name HB ))   
4.000  2.000  2.000  peak   1964  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.798   ppm2  1.983   CV     1  
 
ASSI  { 1965} 
   (( resid 91 and name HN ))   
   (( resid 89 and name HB ))   
4.100  2.100  1.900  peak   1965  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.407   ppm2  1.983   CV     1  
 
ASSI  { 1966} 
   (( resid 102 and name HA ))   
   (( resid 90 and name HN ))   
3.300  1.300  1.300  peak   1966  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.781   ppm2  9.514   CV     1  
 
ASSI  { 1971} 
   (( resid 91 and name HN ))   
   (( resid 90 and name HA ))   
2.800  1.000  1.000  peak   1971  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.407   ppm2  5.798   CV     1  
 
ASSI  { 2250} 
   (( resid 91 and name HA ))   
   (( resid 90 and name HB2 ))   
0.000  0.000  6.000  peak   2250  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.347   ppm2  2.215   CV     1  
 
ASSI  { 1974} 
   (( resid 89 and name HN ))   
   (( resid 90 and name HB2 ))   
3.500  1.500  1.500  peak   1974  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.536   ppm2  2.215   CV     1  
 
ASSI  { 2252} 
   (( resid 89 and name HN ))   
   (( resid 90 and name HB3 ))   
0.000  0.000  6.000  peak   2252  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.536   ppm2  2.462   CV     1  
 
ASSI  { 1980} 
   (( resid 92 and name HN ))   
   (( resid 91 and name HN ))   
3.100  3.100  2.900  peak   1980  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.004   ppm2  9.407   CV     1  
 
ASSI  { 1982} 
   (( resid 100 and name HA ))   
   (( resid 91 and name HN ))   
2.400  2.400  3.600  peak   1982  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.643   ppm2  9.407   CV     1  
 
ASSI  { 1986} 
   (( resid 92 and name HA ))   
   (( resid 91 and name HA ))   
3.700  1.800  1.800  peak   1986  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.698   ppm2  5.347   CV     1  
 
ASSI  { 2259} 
   (( resid 92 and name HB2 ))   
   (( resid 91 and name HA ))   
0.000  0.000  6.000  peak   2259  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.011   ppm2  5.347   CV     1  
 
ASSI  { 1988} 
   (( resid 99 and name HN ))   
   (( resid 91 and name HA ))   
3.600  1.600  1.600  peak   1988  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.242   ppm2  5.347   CV     1  
 
ASSI  { 1989} 
   (( resid 99 and name HB% ))   
   (( resid 91 and name HA ))   
4.600  2.700  1.400  peak   1989  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.524   ppm2  5.347   CV     1  
 
ASSI  { 1990} 
   (( resid 100 and name HN ))   
   (( resid 91 and name HA ))   
3.100  3.100  2.900  peak   1990  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.913   ppm2  5.347   CV     1  
 
ASSI  { 1991} 
   (( resid 100 and name HA ))   
   (( resid 91 and name HA ))   
3.300  1.300  1.300  peak   1991  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.643   ppm2  5.347   CV     1  
 
ASSI  { 2264} 
   (( resid 100 and name HG3 ))   
   (( resid 91 and name HA ))   
0.000  0.000  6.000  peak   2264  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.404   ppm2  5.347   CV     1  
 
ASSI  { 1995} 
   (( resid 92 and name HN ))   
   (( resid 91 and name HB ))   
3.100  1.200  1.200  peak   1995  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.004   ppm2  4.031   CV     1  
 
ASSI  { 1996} 
   (( resid 93 and name HN ))   
   (( resid 91 and name HB ))   
3.400  1.400  1.400  peak   1996  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.520   ppm2  4.031   CV     1  
 
ASSI  { 1997} 
   (( resid 93 and name HA ))   
   (( resid 91 and name HB ))   
3.700  1.700  1.700  peak   1997  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.332   ppm2  4.031   CV     1  
 
ASSI  { 1998} 
   (( resid 93 and name HB ))   
   (( resid 91 and name HB ))   
3.900  1.900  1.900  peak   1998  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.030   ppm2  4.031   CV     1  
 
ASSI  { 2006} 
   (( resid 91 and name HG2% ))   
   (( resid 92 and name HN ))   
5.000  3.100  1.000  peak   2006  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.142   ppm2  9.004   CV     1  
 
ASSI  { 2007} 
   (( resid 93 and name HN ))   
   (( resid 92 and name HN ))   
3.200  1.200  1.200  peak   2007  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.520   ppm2  9.004   CV     1  
 
ASSI  { 2008} 
   (( resid 99 and name HN ))   
   (( resid 92 and name HN ))   
2.700  0.900  0.900  peak   2008  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.242   ppm2  9.004   CV     1  
 
ASSI  { 2009} 
   (( resid 99 and name HB% ))   
   (( resid 92 and name HN ))   
3.800  1.800  1.800  peak   2009  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.524   ppm2  9.004   CV     1  
 
ASSI  { 2010} 
   (( resid 100 and name HA ))   
   (( resid 92 and name HN ))   
3.200  1.300  1.300  peak   2010  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.643   ppm2  9.004   CV     1  
 
ASSI  { 2015} 
   (( resid 93 and name HN ))   
   (( resid 92 and name HA ))   
2.800  1.000  1.000  peak   2015  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.520   ppm2  5.698   CV     1  
 
ASSI  { 2016} 
   (( resid 93 and name HA ))   
   (( resid 92 and name HA ))   
3.800  1.800  1.800  peak   2016  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.332   ppm2  5.698   CV     1  
 
ASSI  { 2017} 
   (( resid 93 and name HB ))   
   (( resid 92 and name HB2 ))   
5.000  5.000  1.000  peak   2017  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.030   ppm2  3.011   CV     1  
 
ASSI  { 2018} 
   (( resid 91 and name HG2% ))   
   (( resid 92 and name HB3 ))   
6.000  6.000  0.000  peak   2018  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.142   ppm2  3.216   CV     1  
 
ASSI  { 2285} 
   (( resid 99 and name HN ))   
   (( resid 92 and name HB2 ))   
0.000  0.000  6.000  peak   2285  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.242   ppm2  3.011   CV     1  
 
ASSI  { 2026} 
   (( resid 91 and name HG2% ))   
   (( resid 93 and name HN ))   
4.900  3.000  1.100  peak   2026  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.142   ppm2  9.520   CV     1  
 
ASSI  { 2028} 
   (( resid 94 and name HN ))   
   (( resid 93 and name HA ))   
2.900  1.100  1.100  peak   2028  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.439   ppm2  5.332   CV     1  
 
ASSI  { 2031} 
   (( resid 94 and name HA ))   
   (( resid 93 and name HA ))   
4.000  2.000  2.000  peak   2031  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.996   ppm2  5.332   CV     1  
 
ASSI  { 2033} 
   (( resid 97 and name HN ))   
   (( resid 93 and name HA ))   
3.800  1.800  1.800  peak   2033  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.870   ppm2  5.332   CV     1  
 
ASSI  { 2034} 
   (( resid 98 and name HA ))   
   (( resid 93 and name HA ))   
3.300  1.300  1.300  peak   2034  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.081   ppm2  5.332   CV     1  
 
ASSI  { 2035} 
   (( resid  and name  ))   
   (( resid 93 and name HA ))   
4.100  2.100  1.900  peak   2035  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  5.332   CV     1  
 
ASSI  { 2038} 
   (( resid 94 and name HN ))   
   (( resid 93 and name HN ))   
3.300  1.400  1.400  peak   2038  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.439   ppm2  9.520   CV     1  
 
ASSI  { 2039} 
   (( resid 98 and name HA ))   
   (( resid 93 and name HN ))   
3.400  1.400  1.400  peak   2039  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.081   ppm2  9.520   CV     1  
 
ASSI  { 2040} 
   (( resid  and name  ))   
   (( resid 93 and name HG2% ))   
4.400  2.400  1.600  peak   2040  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  1.141   CV     1  
 
ASSI  { 2041} 
   (( resid 99 and name HN ))   
   (( resid 94 and name HN ))   
2.200  2.200  3.800  peak   2041  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.242   ppm2  8.439   CV     1  
 
ASSI  { 2044} 
   (( resid 95 and name HN ))   
   (( resid 94 and name HN ))   
3.200  1.200  1.200  peak   2044  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.525   ppm2  8.439   CV     1  
 
ASSI  { 2045} 
   (( resid 96 and name HN ))   
   (( resid 94 and name HN ))   
3.200  1.300  1.300  peak   2045  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.580   ppm2  8.439   CV     1  
 
ASSI  { 2046} 
   (( resid 97 and name HB ))   
   (( resid 94 and name HN ))   
3.800  1.800  1.800  peak   2046  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.251   ppm2  8.439   CV     1  
 
ASSI  { 2047} 
   (( resid 98 and name HN ))   
   (( resid 94 and name HN ))   
3.100  3.100  2.900  peak   2047  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.772   ppm2  8.439   CV     1  
 
ASSI  { 2048} 
   (( resid 98 and name HA ))   
   (( resid 94 and name HN ))   
3.300  1.400  1.400  peak   2048  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.081   ppm2  8.439   CV     1  
 
ASSI  { 2052} 
   (( resid 95 and name HN ))   
   (( resid 94 and name HA ))   
2.800  1.000  1.000  peak   2052  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.525   ppm2  4.996   CV     1  
 
ASSI  { 2053} 
   (( resid 95 and name HA ))   
   (( resid 94 and name HA ))   
4.200  2.200  1.800  peak   2053  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.660   ppm2  4.996   CV     1  
 
ASSI  { 2308} 
   (( resid 95 and name HB2 ))   
   (( resid 94 and name HA ))   
0.000  0.000  6.000  peak   2308  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.686   ppm2  4.996   CV     1  
 
ASSI  { 2055} 
   (( resid 97 and name HN ))   
   (( resid 94 and name HB3 ))   
3.200  1.300  1.300  peak   2055  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.870   ppm2  2.998   CV     1  
 
ASSI  { 2056} 
   (( resid 98 and name HA ))   
   (( resid 94 and name HB2 ))   
3.200  3.200  2.800  peak   2056  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.081   ppm2  3.049   CV     1  
 
ASSI  { 2311} 
   (( resid 98 and name HA ))   
   (( resid 94 and name HB3 ))   
0.000  0.000  6.000  peak   2311  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.081   ppm2  2.998   CV     1  
 
ASSI  { 2064} 
   (( resid 96 and name HN ))   
   (( resid 95 and name HN ))   
2.700  0.900  0.900  peak   2064  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.580   ppm2  9.525   CV     1  
 
ASSI  { 2065} 
   (( resid 97 and name HN ))   
   (( resid 95 and name HA ))   
3.900  1.900  1.900  peak   2065  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.870   ppm2  3.660   CV     1  
 
ASSI  { 2067} 
   (( resid 96 and name HN ))   
   (( resid 95 and name HA ))   
3.400  1.400  1.400  peak   2067  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.580   ppm2  3.660   CV     1  
 
ASSI  { 2083} 
   (( resid 98 and name HA ))   
   (( resid 97 and name HA ))   
4.200  2.200  1.800  peak   2083  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.081   ppm2  4.293   CV     1  
 
ASSI  { 2086} 
   (( resid 98 and name HN ))   
   (( resid 97 and name HA ))   
3.100  1.200  1.200  peak   2086  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.772   ppm2  4.293   CV     1  
 
ASSI  { 2087} 
   (( resid 98 and name HA ))   
   (( resid 97 and name HB ))   
3.900  1.900  1.900  peak   2087  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.081   ppm2  2.251   CV     1  
 
ASSI  { 2090} 
   (( resid 98 and name HN ))   
   (( resid 97 and name HB ))   
3.900  1.900  1.900  peak   2090  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.772   ppm2  2.251   CV     1  
 
ASSI  { 2095} 
   (( resid 99 and name HN ))   
   (( resid 98 and name HN ))   
3.400  1.400  1.400  peak   2095  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.242   ppm2  8.772   CV     1  
 
ASSI  { 2096} 
   (( resid 99 and name HA ))   
   (( resid 98 and name HA ))   
4.100  2.100  1.900  peak   2096  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.854   ppm2  5.081   CV     1  
 
ASSI  { 2098} 
   (( resid 99 and name HN ))   
   (( resid 98 and name HA ))   
3.000  1.100  1.100  peak   2098  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.242   ppm2  5.081   CV     1  
 
ASSI  { 2103} 
   (( resid 100 and name HN ))   
   (( resid 99 and name HA ))   
3.100  1.200  1.200  peak   2103  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.913   ppm2  4.854   CV     1  
 
ASSI  { 2107} 
   (( resid 99 and name HN ))   
   (( resid 100 and name HN ))   
3.300  1.400  1.400  peak   2107  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.242   ppm2  8.913   CV     1  
 
ASSI  { 2109} 
   (( resid 101 and name HA ))   
   (( resid 100 and name HA ))   
4.000  2.000  2.000  peak   2109  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.612   ppm2  5.643   CV     1  
 
ASSI  { 2110} 
   (( resid 99 and name HN ))   
   (( resid 100 and name HA ))   
3.200  3.200  2.800  peak   2110  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.242   ppm2  5.643   CV     1  
 
ASSI  { 2112} 
   (( resid 101 and name HN ))   
   (( resid 100 and name HA ))   
2.900  1.100  1.100  peak   2112  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.316   ppm2  5.643   CV     1  
 
ASSI  { 2335} 
   (( resid 101 and name HB3 ))   
   (( resid 100 and name HA ))   
0.000  0.000  6.000  peak   2335  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.777   ppm2  5.643   CV     1  
 
ASSI  { 2125} 
   (( resid 102 and name HN ))   
   (( resid 101 and name HN ))   
3.300  1.400  1.400  peak   2125  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.502   ppm2  9.316   CV     1  
 
ASSI  { 2126} 
   (( resid 102 and name HA ))   
   (( resid 101 and name HA ))   
4.000  2.000  2.000  peak   2126  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.781   ppm2  4.612   CV     1  
 
ASSI  { 2128} 
   (( resid 102 and name HN ))   
   (( resid 101 and name HA ))   
3.100  1.200  1.200  peak   2128  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.502   ppm2  4.612   CV     1  
 
ASSI  { 2341} 
   (( resid 102 and name HN ))   
   (( resid 101 and name HG3 ))   
0.000  0.000  6.000  peak   2341  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.502   ppm2  1.413   CV     1  
 
ASSI  { 2139} 
   (( resid 102 and name HA ))   
   (( resid 101 and name HG3 ))   
4.500  2.600  1.500  peak   2139  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.781   ppm2  1.413   CV     1  
 
ASSI  { 2141} 
   (( resid 103 and name HA ))   
   (( resid 101 and name HG3 ))   
4.400  2.400  1.600  peak   2141  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.580   ppm2  1.413   CV     1  
 
ASSI  { 2143} 
   (( resid 103 and name HE% ))   
   (( resid 102 and name HN ))   
2.600  2.600  3.400  peak   2143  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.011   ppm2  8.502   CV     1  
 
ASSI  { 2147} 
   (( resid 103 and name HN ))   
   (( resid 102 and name HA ))   
2.900  1.000  1.000  peak   2147  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.725   ppm2  4.781   CV     1  
 
ASSI  { 2150} 
   (( resid 103 and name HN ))   
   (( resid 102 and name HB ))   
4.100  2.100  1.900  peak   2150  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.725   ppm2  1.829   CV     1  
 
ASSI  { 2157} 
   (( resid 104 and name HA ))   
   (( resid 103 and name HA ))   
3.800  1.800  1.800  peak   2157  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.383   ppm2  4.580   CV     1  
 
ASSI  { 2160} 
   (( resid 104 and name HN ))   
   (( resid 103 and name HA ))   
3.100  1.200  1.200  peak   2160  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.765   ppm2  4.580   CV     1  
 
ASSI  { 2161} 
   (( resid 104 and name HB2 ))   
   (( resid 103 and name HA ))   
4.600  2.700  1.400  peak   2161  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.124   ppm2  4.580   CV     1  
 
ASSI  { 2169} 
   (( resid 105 and name HN ))   
   (( resid 104 and name HN ))   
3.200  1.300  1.300  peak   2169  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.686   ppm2  8.765   CV     1  
 
ASSI  { 2170} 
   (( resid 105 and name HA ))   
   (( resid 104 and name HA ))   
3.800  1.800  1.800  peak   2170  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.012   ppm2  5.383   CV     1  
 
ASSI  { 2173} 
   (( resid 105 and name HB2 ))   
   (( resid 104 and name HB3 ))   
3.900  1.900  1.900  peak   2173  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.506   ppm2  2.124   CV     1  
 
ASSI  { 2360} 
   (( resid 105 and name HB3 ))   
   (( resid 104 and name HB3 ))   
0.000  0.000  6.000  peak   2360  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.605   ppm2  2.124   CV     1  
 
ASSI  { 2361} 
   (( resid 105 and name HB2 ))   
   (( resid 104 and name HB2 ))   
0.000  0.000  6.000  peak   2361  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.506   ppm2  2.124   CV     1  
 
ASSI  { 2175} 
   (( resid 105 and name HA ))   
   (( resid 104 and name HB3 ))   
4.600  2.700  1.400  peak   2175  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.012   ppm2  2.124   CV     1  
 
ASSI  { 2179} 
   (( resid 105 and name HN ))   
   (( resid 104 and name HA ))   
2.700  0.900  0.900  peak   2179  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.686   ppm2  5.383   CV     1  
 
ASSI  { 2186} 
   (( resid 106 and name HN ))   
   (( resid 105 and name HB2 ))   
4.600  2.600  1.400  peak   2186  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.431   ppm2  1.506   CV     1  
 
ASSI  { 2189} 
   (( resid 106 and name HN ))   
   (( resid 105 and name HB3 ))   
4.500  2.500  1.500  peak   2189  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.431   ppm2  1.605   CV     1  
 
ASSI  { 2193} 
   (( resid 105 and name HN ))   
   (( resid 106 and name HN ))   
3.500  1.500  1.500  peak   2193  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.686   ppm2  8.431   CV     1  
 
ASSI  {   91} 
   (( resid 4 and name HA2 ))   
   (( resid 4 and name HA1 ))   
2.300  0.700  0.700  peak   91  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.293   ppm2  3.815   CV     1  
 
ASSI  {  150} 
   (( resid 6 and name HA ))   
   (( resid 6 and name HN ))   
1.900  1.900  4.100  peak   150  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.280   ppm2  9.399   CV     1  
 
ASSI  {  151} 
   (( resid 6 and name HB3 ))   
   (( resid 6 and name HN ))   
2.900  1.100  1.100  peak   151  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.918   ppm2  9.399   CV     1  
 
ASSI  {  168} 
   (( resid 6 and name HB3 ))   
   (( resid 6 and name HA ))   
2.300  0.600  0.600  peak   168  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.918   ppm2  5.280   CV     1  
 
ASSI  {  169} 
   (( resid 6 and name HB2 ))   
   (( resid 6 and name HA ))   
2.600  0.900  0.900  peak   169  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.236   ppm2  5.280   CV     1  
 
ASSI  {  188} 
   (( resid 6 and name HB2 ))   
   (( resid 6 and name HB3 ))   
2.400  0.700  0.700  peak   188  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.236   ppm2  2.918   CV     1  
 
ASSI  {  229} 
   (( resid 7 and name HB2 ))   
   (( resid 7 and name HN ))   
2.500  0.800  0.800  peak   229  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.980   ppm2  9.796   CV     1  
 
ASSI  {  230} 
   (( resid 7 and name HB3 ))   
   (( resid 7 and name HN ))   
2.300  2.300  3.700  peak   230  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.039   ppm2  9.796   CV     1  
 
ASSI  {  247} 
   (( resid 7 and name HB2 ))   
   (( resid 7 and name HA ))   
2.500  0.800  0.800  peak   247  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.980   ppm2  5.950   CV     1  
 
ASSI  {  248} 
   (( resid 7 and name HB3 ))   
   (( resid 7 and name HA ))   
2.700  0.900  0.900  peak   248  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.039   ppm2  5.950   CV     1  
 
ASSI  {  296} 
   (( resid 8 and name HA ))   
   (( resid 8 and name HN ))   
2.300  0.700  0.700  peak   296  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.436   ppm2  8.699   CV     1  
 
ASSI  {  297} 
   (( resid 8 and name HB ))   
   (( resid 8 and name HN ))   
2.500  0.800  0.800  peak   297  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.402   ppm2  8.699   CV     1  
 
ASSI  {  325} 
   (( resid  and name  ))   
   (( resid 11 and name HN ))   
2.500  2.500  3.500  peak   325  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  8.491   CV     1  
 
ASSI  {  331} 
   (( resid  and name  ))   
   (( resid 11 and name HA ))   
3.000  1.100  1.100  peak   331  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  5.160   CV     1  
 
ASSI  {  332} 
   (( resid  and name  ))   
   (( resid 11 and name HA ))   
3.200  1.300  1.300  peak   332  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  5.160   CV     1  
 
ASSI  {  367} 
   (( resid 12 and name HA ))   
   (( resid 12 and name HN ))   
2.200  0.600  0.600  peak   367  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.378   ppm2  8.721   CV     1  
 
ASSI  {  400} 
   (( resid 13 and name HA ))   
   (( resid 13 and name HN ))   
2.000  2.000  4.000  peak   400  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.464   ppm2  9.542   CV     1  
 
ASSI  {  402} 
   (( resid 13 and name HG ))   
   (( resid 13 and name HN ))   
3.000  1.200  1.200  peak   402  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.219   ppm2  9.542   CV     1  
 
ASSI  {  413} 
   (( resid  and name  ))   
   (( resid 13 and name HA ))   
3.400  1.400  1.400  peak   413  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  5.464   CV     1  
 
ASSI  {  454} 
   (( resid  and name  ))   
   (( resid 13 and name HG ))   
4.100  2.100  1.900  peak   454  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  1.219   CV     1  
 
ASSI  {  501} 
   (( resid 14 and name HA ))   
   (( resid 14 and name HN ))   
2.000  2.000  4.000  peak   501  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.522   ppm2  9.065   CV     1  
 
ASSI  {  502} 
   (( resid 14 and name HB ))   
   (( resid 14 and name HN ))   
2.200  2.200  3.800  peak   502  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.087   ppm2  9.065   CV     1  
 
ASSI  {  503} 
   (( resid 14 and name HG2% ))   
   (( resid 14 and name HN ))   
3.200  1.300  1.300  peak   503  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.278   ppm2  9.065   CV     1  
 
ASSI  {  528} 
   (( resid 14 and name HB ))   
   (( resid 14 and name HA ))   
2.400  0.700  0.700  peak   528  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.087   ppm2  5.522   CV     1  
 
ASSI  {  529} 
   (( resid 14 and name HG2% ))   
   (( resid 14 and name HA ))   
2.900  1.100  1.100  peak   529  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.278   ppm2  5.522   CV     1  
 
ASSI  {  572} 
   (( resid 15 and name HA ))   
   (( resid 15 and name HN ))   
2.100  2.100  3.900  peak   572  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.014   ppm2  9.467   CV     1  
 
ASSI  {  573} 
   (( resid 15 and name HB ))   
   (( resid 15 and name HN ))   
2.300  0.700  0.700  peak   573  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.923   ppm2  9.467   CV     1  
 
ASSI  {  587} 
   (( resid 15 and name HB ))   
   (( resid 15 and name HA ))   
2.900  1.000  1.000  peak   587  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.923   ppm2  5.014   CV     1  
 
ASSI  {  588} 
   (( resid 15 and name HG2% ))   
   (( resid 15 and name HA ))   
2.900  1.100  1.100  peak   588  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.330   ppm2  5.014   CV     1  
 
ASSI  {  614} 
   (( resid 15 and name HD1% ))   
   (( resid 15 and name HB ))   
3.600  1.700  1.700  peak   614  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.898   ppm2  1.923   CV     1  
 
ASSI  {  626} 
   (( resid 15 and name HD1% ))   
   (( resid 15 and name HG2% ))   
3.900  1.900  1.900  peak   626  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.898   ppm2  1.330   CV     1  
 
ASSI  {  654} 
   (( resid 16 and name HA ))   
   (( resid 16 and name HN ))   
2.100  2.100  3.900  peak   654  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.730   ppm2  8.758   CV     1  
 
ASSI  {  675} 
   (( resid 16 and name HB ))   
   (( resid 16 and name HA ))   
2.500  0.800  0.800  peak   675  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.997   ppm2  4.730   CV     1  
 
ASSI  {  707} 
   (( resid 17 and name HA ))   
   (( resid 17 and name HN ))   
2.200  2.200  3.800  peak   707  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.230   ppm2  9.073   CV     1  
 
ASSI  {  750} 
   (( resid 18 and name HA ))   
   (( resid 18 and name HN ))   
2.200  0.600  0.600  peak   750  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.226   ppm2  8.871   CV     1  
 
ASSI  {  751} 
   (( resid 18 and name HB3 ))   
   (( resid 18 and name HN ))   
3.100  1.200  1.200  peak   751  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.044   ppm2  8.871   CV     1  
 
ASSI  {  763} 
   (( resid 18 and name HB3 ))   
   (( resid 18 and name HA ))   
3.200  1.300  1.300  peak   763  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.044   ppm2  4.226   CV     1  
 
ASSI  {  780} 
   (( resid 19 and name HA2 ))   
   (( resid 19 and name HN ))   
2.600  0.800  0.800  peak   780  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.773   ppm2  9.017   CV     1  
 
ASSI  {  781} 
   (( resid 19 and name HA1 ))   
   (( resid 19 and name HN ))   
2.200  0.600  0.600  peak   781  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.113   ppm2  9.017   CV     1  
 
ASSI  {  788} 
   (( resid 19 and name HA1 ))   
   (( resid 19 and name HA2 ))   
2.300  0.700  0.700  peak   788  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.113   ppm2  3.773   CV     1  
 
ASSI  {  809} 
   (( resid 20 and name HA ))   
   (( resid 20 and name HN ))   
2.300  0.600  0.600  peak   809  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.037   ppm2  8.857   CV     1  
 
ASSI  {  810} 
   (( resid 20 and name HB3 ))   
   (( resid 20 and name HN ))   
2.700  2.700  3.300  peak   810  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.197   ppm2  8.857   CV     1  
 
ASSI  {  818} 
   (( resid 20 and name HB3 ))   
   (( resid 20 and name HA ))   
2.500  0.800  0.800  peak   818  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.197   ppm2  5.037   CV     1  
 
ASSI  {  819} 
   (( resid 20 and name HB2 ))   
   (( resid 20 and name HA ))   
2.900  1.100  1.100  peak   819  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.995   ppm2  5.037   CV     1  
 
ASSI  {  828} 
   (( resid 20 and name HB2 ))   
   (( resid 20 and name HB3 ))   
2.500  0.800  0.800  peak   828  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.995   ppm2  3.197   CV     1  
 
ASSI  {  857} 
   (( resid 21 and name HA ))   
   (( resid 21 and name HN ))   
2.100  2.100  3.900  peak   857  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.930   ppm2  7.941   CV     1  
 
ASSI  {  858} 
   (( resid  and name  ))   
   (( resid 21 and name HN ))   
2.800  1.000  1.000  peak   858  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  7.941   CV     1  
 
ASSI  {  869} 
   (( resid  and name  ))   
   (( resid 21 and name HA ))   
2.700  0.900  0.900  peak   869  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  4.930   CV     1  
 
ASSI  {  897} 
   (( resid 22 and name HA ))   
   (( resid 22 and name HN ))   
2.100  2.100  3.900  peak   897  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.794   ppm2  9.098   CV     1  
 
ASSI  {  898} 
   (( resid 22 and name HB3 ))   
   (( resid 22 and name HN ))   
3.400  1.400  1.400  peak   898  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.600   ppm2  9.098   CV     1  
 
ASSI  {  899} 
   (( resid 22 and name HB2 ))   
   (( resid 22 and name HN ))   
2.500  0.800  0.800  peak   899  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.123   ppm2  9.098   CV     1  
 
ASSI  {  920} 
   (( resid 22 and name HB3 ))   
   (( resid 22 and name HA ))   
2.700  0.900  0.900  peak   920  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.600   ppm2  4.794   CV     1  
 
ASSI  {  921} 
   (( resid 22 and name HB2 ))   
   (( resid 22 and name HA ))   
3.400  1.400  1.400  peak   921  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.123   ppm2  4.794   CV     1  
 
ASSI  {  931} 
   (( resid 22 and name HB2 ))   
   (( resid 22 and name HB3 ))   
3.000  3.000  3.000  peak   931  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.123   ppm2  1.600   CV     1  
 
ASSI  {  975} 
   (( resid 23 and name HG2% ))   
   (( resid 23 and name HN ))   
2.800  1.000  1.000  peak   975  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.121   ppm2  8.311   CV     1  
 
ASSI  { 1010} 
   (( resid 23 and name HG2% ))   
   (( resid 23 and name HB ))   
3.200  1.300  1.300  peak   1010  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.121   ppm2  3.995   CV     1  
 
ASSI  { 1040} 
   (( resid 24 and name HA ))   
   (( resid 24 and name HN ))   
2.000  2.000  4.000  peak   1040  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.034   ppm2  9.432   CV     1  
 
ASSI  { 1072} 
   (( resid 24 and name HB ))   
   (( resid 24 and name HA ))   
2.600  0.900  0.900  peak   1072  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.373   ppm2  5.034   CV     1  
 
ASSI  { 1106} 
   (( resid 24 and name HG2% ))   
   (( resid 24 and name HG1% ))   
4.000  2.000  2.000  peak   1106  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.901   ppm2  1.019   CV     1  
 
ASSI  { 1145} 
   (( resid 25 and name HB3 ))   
   (( resid 25 and name HN ))   
2.200  0.600  0.600  peak   1145  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.074   ppm2  9.163   CV     1  
 
ASSI  { 1146} 
   (( resid 25 and name HB2 ))   
   (( resid 25 and name HN ))   
2.600  0.800  0.800  peak   1146  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.135   ppm2  9.163   CV     1  
 
ASSI  { 1160} 
   (( resid 25 and name HB3 ))   
   (( resid 25 and name HA ))   
2.900  1.000  1.000  peak   1160  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.074   ppm2  5.342   CV     1  
 
ASSI  { 1161} 
   (( resid 25 and name HB2 ))   
   (( resid 25 and name HA ))   
2.400  0.700  0.700  peak   1161  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.135   ppm2  5.342   CV     1  
 
ASSI  { 1180} 
   (( resid 25 and name HB2 ))   
   (( resid 25 and name HB3 ))   
2.400  0.700  0.700  peak   1180  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.135   ppm2  2.074   CV     1  
 
ASSI  { 1215} 
   (( resid  and name  ))   
   (( resid 26 and name HN ))   
2.700  0.900  0.900  peak   1215  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  9.322   CV     1  
 
ASSI  { 1229} 
   (( resid  and name  ))   
   (( resid 26 and name HA ))   
2.800  0.900  0.900  peak   1229  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  4.478   CV     1  
 
ASSI  { 1255} 
   (( resid 27 and name HA ))   
   (( resid 27 and name HN ))   
2.100  2.100  3.900  peak   1255  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.566   ppm2  9.182   CV     1  
 
ASSI  { 1256} 
   (( resid 27 and name HB2 ))   
   (( resid 27 and name HN ))   
2.100  0.600  0.600  peak   1256  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.868   ppm2  9.182   CV     1  
 
ASSI  { 1257} 
   (( resid 27 and name HB3 ))   
   (( resid 27 and name HN ))   
2.700  0.900  0.900  peak   1257  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.998   ppm2  9.182   CV     1  
 
ASSI  { 1264} 
   (( resid 27 and name HB3 ))   
   (( resid 27 and name HA ))   
2.400  0.700  0.700  peak   1264  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.998   ppm2  5.566   CV     1  
 
ASSI  { 1280} 
   (( resid 27 and name HB3 ))   
   (( resid 27 and name HB2 ))   
2.200  0.600  0.600  peak   1280  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.998   ppm2  3.868   CV     1  
 
ASSI  { 1300} 
   (( resid 28 and name HA ))   
   (( resid 28 and name HN ))   
2.200  0.600  0.600  peak   1300  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.078   ppm2  8.675   CV     1  
 
ASSI  { 1301} 
   (( resid 28 and name HB3 ))   
   (( resid 28 and name HN ))   
2.500  0.800  0.800  peak   1301  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.157   ppm2  8.675   CV     1  
 
ASSI  { 1302} 
   (( resid 28 and name HB2 ))   
   (( resid 28 and name HN ))   
2.200  2.200  3.800  peak   1302  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.112   ppm2  8.675   CV     1  
 
ASSI  { 1316} 
   (( resid 28 and name HB3 ))   
   (( resid 28 and name HA ))   
2.600  0.800  0.800  peak   1316  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.157   ppm2  5.078   CV     1  
 
ASSI  { 1317} 
   (( resid 28 and name HB2 ))   
   (( resid 28 and name HA ))   
2.600  0.900  0.900  peak   1317  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.112   ppm2  5.078   CV     1  
 
ASSI  { 1326} 
   (( resid 28 and name HB2 ))   
   (( resid 28 and name HB3 ))   
2.300  0.600  0.600  peak   1326  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.112   ppm2  4.157   CV     1  
 
ASSI  { 1342} 
   (( resid 29 and name HA ))   
   (( resid 29 and name HN ))   
2.400  0.700  0.700  peak   1342  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.376   ppm2  8.146   CV     1  
 
ASSI  { 1343} 
   (( resid 29 and name HB3 ))   
   (( resid 29 and name HN ))   
2.800  1.000  1.000  peak   1343  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.685   ppm2  8.146   CV     1  
 
ASSI  { 1350} 
   (( resid 29 and name HB3 ))   
   (( resid 29 and name HA ))   
3.000  1.100  1.100  peak   1350  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.685   ppm2  4.376   CV     1  
 
ASSI  { 1370} 
   (( resid 30 and name HB3 ))   
   (( resid 30 and name HN ))   
2.600  0.900  0.900  peak   1370  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.360   ppm2  8.154   CV     1  
 
ASSI  { 1372} 
   (( resid 30 and name HD% ))   
   (( resid 30 and name HN ))   
2.200  2.200  3.800  peak   1372  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.285   ppm2  8.154   CV     1  
 
ASSI  { 1378} 
   (( resid 30 and name HB3 ))   
   (( resid 30 and name HA ))   
2.900  1.000  1.000  peak   1378  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.360   ppm2  4.617   CV     1  
 
ASSI  { 1379} 
   (( resid 30 and name HB2 ))   
   (( resid 30 and name HA ))   
2.700  0.900  0.900  peak   1379  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.104   ppm2  4.617   CV     1  
 
ASSI  { 1380} 
   (( resid 30 and name HD% ))   
   (( resid 30 and name HA ))   
2.400  0.700  0.700  peak   1380  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.285   ppm2  4.617   CV     1  
 
ASSI  { 1381} 
   (( resid 30 and name HE% ))   
   (( resid 30 and name HA ))   
1.800  1.800  4.200  peak   1381  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.427   ppm2  4.617   CV     1  
 
ASSI  { 1388} 
   (( resid 30 and name HB2 ))   
   (( resid 30 and name HB3 ))   
2.400  0.700  0.700  peak   1388  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.104   ppm2  3.360   CV     1  
 
ASSI  { 1389} 
   (( resid 30 and name HD% ))   
   (( resid 30 and name HB3 ))   
2.200  0.600  0.600  peak   1389  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.285   ppm2  3.360   CV     1  
 
ASSI  { 1395} 
   (( resid 30 and name HD% ))   
   (( resid 30 and name HB2 ))   
2.600  0.800  0.800  peak   1395  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.285   ppm2  3.104   CV     1  
 
ASSI  { 1402} 
   (( resid 30 and name HE% ))   
   (( resid 30 and name HD% ))   
2.000  0.500  0.500  peak   1402  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.427   ppm2  7.285   CV     1  
 
ASSI  { 1439} 
   (( resid 32 and name HA ))   
   (( resid 32 and name HN ))   
2.200  2.200  3.800  peak   1439  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.619   ppm2  8.691   CV     1  
 
ASSI  { 1474} 
   (( resid 33 and name HA ))   
   (( resid 33 and name HN ))   
2.200  0.600  0.600  peak   1474  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.636   ppm2  8.802   CV     1  
 
ASSI  { 1475} 
   (( resid 33 and name HB ))   
   (( resid 33 and name HN ))   
2.700  0.900  0.900  peak   1475  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.982   ppm2  8.802   CV     1  
 
ASSI  { 1476} 
   (( resid 33 and name HG2% ))   
   (( resid 33 and name HN ))   
2.800  0.900  0.900  peak   1476  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.610   ppm2  8.802   CV     1  
 
ASSI  { 1484} 
   (( resid 33 and name HB ))   
   (( resid 33 and name HA ))   
2.800  1.000  1.000  peak   1484  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.982   ppm2  4.636   CV     1  
 
ASSI  { 1485} 
   (( resid 33 and name HG2% ))   
   (( resid 33 and name HA ))   
3.100  1.200  1.200  peak   1485  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.610   ppm2  4.636   CV     1  
 
ASSI  { 1496} 
   (( resid 33 and name HD1% ))   
   (( resid 33 and name HB ))   
3.800  1.900  1.900  peak   1496  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.948   ppm2  1.982   CV     1  
 
ASSI  { 1509} 
   (( resid 33 and name HD1% ))   
   (( resid 33 and name HG2% ))   
4.200  2.200  1.800  peak   1509  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.948   ppm2  1.610   CV     1  
 
ASSI  { 1526} 
   (( resid 34 and name HA ))   
   (( resid 34 and name HN ))   
2.100  2.100  3.900  peak   1526  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.428   ppm2  8.626   CV     1  
 
ASSI  { 1527} 
   (( resid 34 and name HB2 ))   
   (( resid 34 and name HN ))   
2.500  2.500  3.500  peak   1527  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.627   ppm2  8.626   CV     1  
 
ASSI  { 1528} 
   (( resid 34 and name HB3 ))   
   (( resid 34 and name HN ))   
2.900  1.100  1.100  peak   1528  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.560   ppm2  8.626   CV     1  
 
ASSI  { 1538} 
   (( resid 34 and name HB2 ))   
   (( resid 34 and name HA ))   
3.100  1.200  1.200  peak   1538  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.627   ppm2  5.428   CV     1  
 
ASSI  { 1539} 
   (( resid 34 and name HB3 ))   
   (( resid 34 and name HA ))   
2.500  0.800  0.800  peak   1539  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.560   ppm2  5.428   CV     1  
 
ASSI  { 1552} 
   (( resid 34 and name HB3 ))   
   (( resid 34 and name HB2 ))   
2.600  0.900  0.900  peak   1552  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.560   ppm2  2.627   CV     1  
 
ASSI  { 1581} 
   (( resid 35 and name HA ))   
   (( resid 35 and name HN ))   
2.100  2.100  3.900  peak   1581  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.605   ppm2  9.146   CV     1  
 
ASSI  { 1594} 
   (( resid 35 and name HG1% ))   
   (( resid 35 and name HA ))   
2.900  1.100  1.100  peak   1594  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.199   ppm2  4.605   CV     1  
 
ASSI  { 1595} 
   (( resid 35 and name HG2% ))   
   (( resid 35 and name HA ))   
3.200  1.300  1.300  peak   1595  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.970   ppm2  4.605   CV     1  
 
ASSI  { 1616} 
   (( resid 35 and name HG2% ))   
   (( resid 35 and name HG1% ))   
4.100  2.100  1.900  peak   1616  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.970   ppm2  1.199   CV     1  
 
ASSI  { 1631} 
   (( resid 36 and name HA ))   
   (( resid 36 and name HN ))   
2.100  2.100  3.900  peak   1631  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.131   ppm2  8.168   CV     1  
 
ASSI  { 1674} 
   (( resid 36 and name HG1% ))   
   (( resid 36 and name HG2% ))   
4.200  2.200  1.800  peak   1674  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.007   ppm2  0.905   CV     1  
 
ASSI  { 1707} 
   (( resid 37 and name HB2 ))   
   (( resid 37 and name HN ))   
2.800  2.800  3.200  peak   1707  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.588   ppm2  8.317   CV     1  
 
ASSI  { 1709} 
   (( resid 37 and name HD% ))   
   (( resid 37 and name HN ))   
2.000  2.000  4.000  peak   1709  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.488   ppm2  8.317   CV     1  
 
ASSI  { 1719} 
   (( resid 37 and name HB2 ))   
   (( resid 37 and name HA ))   
2.900  1.100  1.100  peak   1719  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.588   ppm2  4.809   CV     1  
 
ASSI  { 1720} 
   (( resid 37 and name HB3 ))   
   (( resid 37 and name HA ))   
2.500  0.800  0.800  peak   1720  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.676   ppm2  4.809   CV     1  
 
ASSI  { 1721} 
   (( resid 37 and name HD% ))   
   (( resid 37 and name HA ))   
2.700  0.900  0.900  peak   1721  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.488   ppm2  4.809   CV     1  
 
ASSI  { 1732} 
   (( resid 37 and name HB3 ))   
   (( resid 37 and name HB2 ))   
2.600  0.800  0.800  peak   1732  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.676   ppm2  1.588   CV     1  
 
ASSI  { 1733} 
   (( resid 37 and name HD% ))   
   (( resid 37 and name HB2 ))   
2.500  0.800  0.800  peak   1733  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.488   ppm2  1.588   CV     1  
 
ASSI  { 1754} 
   (( resid 37 and name HD% ))   
   (( resid 37 and name HB3 ))   
2.300  0.700  0.700  peak   1754  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.488   ppm2  2.676   CV     1  
 
ASSI  { 1755} 
   (( resid 37 and name HE% ))   
   (( resid 37 and name HB3 ))   
3.000  3.000  3.000  peak   1755  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.254   ppm2  2.676   CV     1  
 
ASSI  { 1778} 
   (( resid 37 and name HE% ))   
   (( resid 37 and name HD% ))   
2.000  0.500  0.500  peak   1778  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.254   ppm2  6.488   CV     1  
 
ASSI  { 1779} 
   (( resid 37 and name HZ ))   
   (( resid 37 and name HD% ))   
2.500  2.500  3.500  peak   1779  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.365   ppm2  6.488   CV     1  
 
ASSI  { 1796} 
   (( resid 37 and name HZ ))   
   (( resid 37 and name HE% ))   
2.100  0.600  0.600  peak   1796  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.365   ppm2  6.254   CV     1  
 
ASSI  { 1821} 
   (( resid 38 and name HA ))   
   (( resid 38 and name HN ))   
2.100  2.100  3.900  peak   1821  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.359   ppm2  9.417   CV     1  
 
ASSI  { 1822} 
   (( resid 38 and name HB2 ))   
   (( resid 38 and name HN ))   
2.500  0.800  0.800  peak   1822  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.024   ppm2  9.417   CV     1  
 
ASSI  { 1823} 
   (( resid 38 and name HB3 ))   
   (( resid 38 and name HN ))   
2.700  0.900  0.900  peak   1823  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.910   ppm2  9.417   CV     1  
 
ASSI  { 1844} 
   (( resid 38 and name HB2 ))   
   (( resid 38 and name HA ))   
2.800  0.900  0.900  peak   1844  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.024   ppm2  5.359   CV     1  
 
ASSI  { 1845} 
   (( resid 38 and name HB3 ))   
   (( resid 38 and name HA ))   
2.800  0.900  0.900  peak   1845  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.910   ppm2  5.359   CV     1  
 
ASSI  { 1854} 
   (( resid 38 and name HB3 ))   
   (( resid 38 and name HB2 ))   
2.800  1.000  1.000  peak   1854  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.910   ppm2  2.024   CV     1  
 
ASSI  { 1924} 
   (( resid 40 and name HA1 ))   
   (( resid 40 and name HN ))   
2.200  0.600  0.600  peak   1924  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.624   ppm2  9.223   CV     1  
 
ASSI  { 1925} 
   (( resid 40 and name HA2 ))   
   (( resid 40 and name HN ))   
2.500  0.800  0.800  peak   1925  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.348   ppm2  9.223   CV     1  
 
ASSI  { 1941} 
   (( resid 40 and name HA2 ))   
   (( resid 40 and name HA1 ))   
2.200  0.600  0.600  peak   1941  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.348   ppm2  3.624   CV     1  
 
ASSI  { 1969} 
   (( resid 41 and name HA ))   
   (( resid 41 and name HN ))   
2.300  0.600  0.600  peak   1969  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.398   ppm2  7.877   CV     1  
 
ASSI  { 1970} 
   (( resid 41 and name HB ))   
   (( resid 41 and name HN ))   
2.400  0.700  0.700  peak   1970  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.378   ppm2  7.877   CV     1  
 
ASSI  { 1971} 
   (( resid 41 and name HG1% ))   
   (( resid 41 and name HN ))   
3.200  1.300  1.300  peak   1971  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.216   ppm2  7.877   CV     1  
 
ASSI  { 2027} 
   (( resid 42 and name HA ))   
   (( resid 42 and name HN ))   
2.200  2.200  3.800  peak   2027  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.870   ppm2  8.761   CV     1  
 
ASSI  { 2063} 
   (( resid 43 and name HA ))   
   (( resid 43 and name HN ))   
2.100  2.100  3.900  peak   2063  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.117   ppm2  9.527   CV     1  
 
ASSI  { 2064} 
   (( resid 43 and name HB2 ))   
   (( resid 43 and name HN ))   
2.500  2.500  3.500  peak   2064  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.637   ppm2  9.527   CV     1  
 
ASSI  { 2065} 
   (( resid 43 and name HB3 ))   
   (( resid 43 and name HN ))   
2.400  2.400  3.600  peak   2065  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.423   ppm2  9.527   CV     1  
 
ASSI  { 2066} 
   (( resid 43 and name HD% ))   
   (( resid 43 and name HN ))   
2.000  2.000  4.000  peak   2066  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.755   ppm2  9.527   CV     1  
 
ASSI  { 2081} 
   (( resid 43 and name HB2 ))   
   (( resid 43 and name HA ))   
2.700  0.900  0.900  peak   2081  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.637   ppm2  5.117   CV     1  
 
ASSI  { 2082} 
   (( resid 43 and name HB3 ))   
   (( resid 43 and name HA ))   
2.500  0.800  0.800  peak   2082  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.423   ppm2  5.117   CV     1  
 
ASSI  { 2083} 
   (( resid 43 and name HD% ))   
   (( resid 43 and name HA ))   
2.600  2.600  3.400  peak   2083  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.755   ppm2  5.117   CV     1  
 
ASSI  { 2089} 
   (( resid 43 and name HB3 ))   
   (( resid 43 and name HB2 ))   
2.300  0.700  0.700  peak   2089  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.423   ppm2  3.637   CV     1  
 
ASSI  { 2090} 
   (( resid 43 and name HD% ))   
   (( resid 43 and name HB2 ))   
2.300  0.600  0.600  peak   2090  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.755   ppm2  3.637   CV     1  
 
ASSI  { 2103} 
   (( resid 43 and name HD% ))   
   (( resid 43 and name HB3 ))   
2.200  0.600  0.600  peak   2103  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.755   ppm2  3.423   CV     1  
 
ASSI  { 2104} 
   (( resid 43 and name HE% ))   
   (( resid 43 and name HB3 ))   
2.900  2.900  3.100  peak   2104  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.053   ppm2  3.423   CV     1  
 
ASSI  { 2121} 
   (( resid 43 and name HE% ))   
   (( resid 43 and name HD% ))   
1.900  0.500  0.500  peak   2121  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.053   ppm2  7.755   CV     1  
 
ASSI  { 2145} 
   (( resid 44 and name HA ))   
   (( resid 44 and name HN ))   
2.200  2.200  3.800  peak   2145  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.234   ppm2  8.155   CV     1  
 
ASSI  { 2177} 
   (( resid 45 and name HA ))   
   (( resid 45 and name HN ))   
2.200  0.600  0.600  peak   2177  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.974   ppm2  8.523   CV     1  
 
ASSI  { 2178} 
   (( resid 45 and name HB3 ))   
   (( resid 45 and name HN ))   
2.400  0.700  0.700  peak   2178  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.950   ppm2  8.523   CV     1  
 
ASSI  { 2179} 
   (( resid 45 and name HB2 ))   
   (( resid 45 and name HN ))   
2.600  0.900  0.900  peak   2179  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.630   ppm2  8.523   CV     1  
 
ASSI  { 2180} 
   (( resid 45 and name HD% ))   
   (( resid 45 and name HN ))   
2.700  2.700  3.300  peak   2180  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.534   ppm2  8.523   CV     1  
 
ASSI  { 2194} 
   (( resid 45 and name HB3 ))   
   (( resid 45 and name HA ))   
3.000  1.100  1.100  peak   2194  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.950   ppm2  4.974   CV     1  
 
ASSI  { 2195} 
   (( resid 45 and name HB2 ))   
   (( resid 45 and name HA ))   
2.600  0.800  0.800  peak   2195  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.630   ppm2  4.974   CV     1  
 
ASSI  { 2196} 
   (( resid 45 and name HD% ))   
   (( resid 45 and name HA ))   
2.100  0.500  0.500  peak   2196  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.534   ppm2  4.974   CV     1  
 
ASSI  { 2208} 
   (( resid 45 and name HB2 ))   
   (( resid 45 and name HB3 ))   
2.500  0.800  0.800  peak   2208  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.630   ppm2  2.950   CV     1  
 
ASSI  { 2209} 
   (( resid 45 and name HD% ))   
   (( resid 45 and name HB3 ))   
2.300  0.600  0.600  peak   2209  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.534   ppm2  2.950   CV     1  
 
ASSI  { 2217} 
   (( resid 45 and name HD% ))   
   (( resid 45 and name HB2 ))   
2.800  1.000  1.000  peak   2217  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.534   ppm2  2.630   CV     1  
 
ASSI  { 2218} 
   (( resid 45 and name HE% ))   
   (( resid 45 and name HB2 ))   
3.200  1.300  1.300  peak   2218  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.153   ppm2  2.630   CV     1  
 
ASSI  { 2227} 
   (( resid 45 and name HE% ))   
   (( resid 45 and name HD% ))   
2.100  0.500  0.500  peak   2227  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.153   ppm2  6.534   CV     1  
 
ASSI  { 2249} 
   (( resid 46 and name HB2 ))   
   (( resid 46 and name HN ))   
2.400  0.700  0.700  peak   2249  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.543   ppm2  7.645   CV     1  
 
ASSI  { 2250} 
   (( resid 46 and name HB3 ))   
   (( resid 46 and name HN ))   
2.400  0.700  0.700  peak   2250  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.637   ppm2  7.645   CV     1  
 
ASSI  { 2260} 
   (( resid 46 and name HB2 ))   
   (( resid 46 and name HA ))   
2.500  0.800  0.800  peak   2260  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.543   ppm2  5.226   CV     1  
 
ASSI  { 2261} 
   (( resid 46 and name HB3 ))   
   (( resid 46 and name HA ))   
2.700  0.900  0.900  peak   2261  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.637   ppm2  5.226   CV     1  
 
ASSI  { 2274} 
   (( resid 46 and name HB3 ))   
   (( resid 46 and name HB2 ))   
2.300  0.700  0.700  peak   2274  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.637   ppm2  3.543   CV     1  
 
ASSI  { 2294} 
   (( resid 47 and name HA ))   
   (( resid 47 and name HN ))   
2.200  2.200  3.800  peak   2294  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.316   ppm2  8.081   CV     1  
 
ASSI  { 2319} 
   (( resid 48 and name HA ))   
   (( resid 48 and name HN ))   
2.300  0.700  0.700  peak   2319  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.946   ppm2  7.398   CV     1  
 
ASSI  { 2320} 
   (( resid 48 and name HB% ))   
   (( resid 48 and name HN ))   
3.000  1.100  1.100  peak   2320  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.462   ppm2  7.398   CV     1  
 
ASSI  { 2350} 
   (( resid 49 and name HA ))   
   (( resid 49 and name HN ))   
2.400  0.700  0.700  peak   2350  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.440   ppm2  7.392   CV     1  
 
ASSI  { 2351} 
   (( resid 49 and name HB2 ))   
   (( resid 49 and name HN ))   
2.600  0.900  0.900  peak   2351  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.527   ppm2  7.392   CV     1  
 
ASSI  { 2352} 
   (( resid 49 and name HB3 ))   
   (( resid 49 and name HN ))   
2.900  1.100  1.100  peak   2352  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.079   ppm2  7.392   CV     1  
 
ASSI  { 2358} 
   (( resid 49 and name HB2 ))   
   (( resid 49 and name HA ))   
2.900  1.100  1.100  peak   2358  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.527   ppm2  4.440   CV     1  
 
ASSI  { 2359} 
   (( resid 49 and name HB3 ))   
   (( resid 49 and name HA ))   
2.900  1.000  1.000  peak   2359  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.079   ppm2  4.440   CV     1  
 
ASSI  { 2368} 
   (( resid 49 and name HB3 ))   
   (( resid 49 and name HB2 ))   
2.700  0.900  0.900  peak   2368  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.079   ppm2  2.527   CV     1  
 
ASSI  { 2385} 
   (( resid 50 and name HA2 ))   
   (( resid 50 and name HN ))   
2.300  0.700  0.700  peak   2385  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.403   ppm2  8.014   CV     1  
 
ASSI  { 2386} 
   (( resid 50 and name HA1 ))   
   (( resid 50 and name HN ))   
2.600  0.900  0.900  peak   2386  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.558   ppm2  8.014   CV     1  
 
ASSI  { 2395} 
   (( resid 50 and name HA1 ))   
   (( resid 50 and name HA2 ))   
2.400  0.700  0.700  peak   2395  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.558   ppm2  4.403   CV     1  
 
ASSI  { 2414} 
   (( resid 51 and name HA ))   
   (( resid 51 and name HN ))   
2.300  0.700  0.700  peak   2414  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.782   ppm2  7.823   CV     1  
 
ASSI  { 2463} 
   (( resid 52 and name HA ))   
   (( resid 52 and name HN ))   
2.200  2.200  3.800  peak   2463  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.467   ppm2  8.294   CV     1  
 
ASSI  { 2513} 
   (( resid 53 and name HA ))   
   (( resid 53 and name HN ))   
2.100  2.100  3.900  peak   2513  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.327   ppm2  8.775   CV     1  
 
ASSI  { 2515} 
   (( resid 53 and name HG ))   
   (( resid 53 and name HN ))   
4.000  2.000  2.000  peak   2515  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.192   ppm2  8.775   CV     1  
 
ASSI  { 2516} 
   (( resid  and name  ))   
   (( resid 53 and name HN ))   
3.400  1.400  1.400  peak   2516  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  8.775   CV     1  
 
ASSI  { 2527} 
   (( resid  and name  ))   
   (( resid 53 and name HA ))   
3.900  1.900  1.900  peak   2527  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  5.327   CV     1  
 
ASSI  { 2590} 
   (( resid 54 and name HA ))   
   (( resid 54 and name HN ))   
2.000  2.000  4.000  peak   2590  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.445   ppm2  8.557   CV     1  
 
ASSI  { 2625} 
   (( resid 54 and name HG2% ))   
   (( resid 54 and name HB ))   
3.200  1.300  1.300  peak   2625  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.181   ppm2  4.140   CV     1  
 
ASSI  { 2648} 
   (( resid 55 and name HA1 ))   
   (( resid 55 and name HN ))   
2.300  0.700  0.700  peak   2648  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.572   ppm2  8.671   CV     1  
 
ASSI  { 2649} 
   (( resid 55 and name HA2 ))   
   (( resid 55 and name HN ))   
2.200  0.600  0.600  peak   2649  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.963   ppm2  8.671   CV     1  
 
ASSI  { 2663} 
   (( resid 55 and name HA2 ))   
   (( resid 55 and name HA1 ))   
2.100  0.600  0.600  peak   2663  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.963   ppm2  4.572   CV     1  
 
ASSI  { 2695} 
   (( resid 56 and name HA ))   
   (( resid 56 and name HN ))   
2.300  0.600  0.600  peak   2695  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.778   ppm2  6.766   CV     1  
 
ASSI  { 2719} 
   (( resid 56 and name HG2% ))   
   (( resid 56 and name HA ))   
3.700  1.700  1.700  peak   2719  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.038   ppm2  4.778   CV     1  
 
ASSI  { 2771} 
   (( resid 57 and name HB3 ))   
   (( resid 57 and name HN ))   
2.700  0.900  0.900  peak   2771  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.528   ppm2  9.142   CV     1  
 
ASSI  { 2781} 
   (( resid 57 and name HB2 ))   
   (( resid 57 and name HA ))   
2.700  0.900  0.900  peak   2781  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.453   ppm2  5.340   CV     1  
 
ASSI  { 2782} 
   (( resid 57 and name HB3 ))   
   (( resid 57 and name HA ))   
2.500  0.800  0.800  peak   2782  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.528   ppm2  5.340   CV     1  
 
ASSI  { 2803} 
   (( resid 57 and name HB3 ))   
   (( resid 57 and name HB2 ))   
2.600  0.800  0.800  peak   2803  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.528   ppm2  2.453   CV     1  
 
ASSI  { 2828} 
   (( resid 58 and name HA ))   
   (( resid 58 and name HN ))   
2.100  2.100  3.900  peak   2828  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.670   ppm2  9.257   CV     1  
 
ASSI  { 2829} 
   (( resid 58 and name HB ))   
   (( resid 58 and name HN ))   
2.300  2.300  3.700  peak   2829  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.282   ppm2  9.257   CV     1  
 
ASSI  { 2830} 
   (( resid 58 and name HG2% ))   
   (( resid 58 and name HN ))   
3.100  1.200  1.200  peak   2830  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.247   ppm2  9.257   CV     1  
 
ASSI  { 2848} 
   (( resid 58 and name HB ))   
   (( resid 58 and name HA ))   
2.500  0.800  0.800  peak   2848  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.282   ppm2  4.670   CV     1  
 
ASSI  { 2887} 
   (( resid 59 and name HA ))   
   (( resid 59 and name HN ))   
2.100  2.100  3.900  peak   2887  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.498   ppm2  8.862   CV     1  
 
ASSI  { 2888} 
   (( resid 59 and name HB2 ))   
   (( resid 59 and name HN ))   
2.800  1.000  1.000  peak   2888  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.301   ppm2  8.862   CV     1  
 
ASSI  { 2889} 
   (( resid 59 and name HB3 ))   
   (( resid 59 and name HN ))   
2.300  0.700  0.700  peak   2889  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.136   ppm2  8.862   CV     1  
 
ASSI  { 2898} 
   (( resid 59 and name HB2 ))   
   (( resid 59 and name HA ))   
2.500  0.800  0.800  peak   2898  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.301   ppm2  5.498   CV     1  
 
ASSI  { 2899} 
   (( resid 59 and name HB3 ))   
   (( resid 59 and name HA ))   
2.900  1.100  1.100  peak   2899  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.136   ppm2  5.498   CV     1  
 
ASSI  { 2900} 
   (( resid 59 and name HG2 ))   
   (( resid 59 and name HA ))   
3.100  1.200  1.200  peak   2900  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.625   ppm2  5.498   CV     1  
 
ASSI  { 2920} 
   (( resid 59 and name HB3 ))   
   (( resid 59 and name HB2 ))   
2.600  0.800  0.800  peak   2920  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.136   ppm2  2.301   CV     1  
 
ASSI  { 2921} 
   (( resid 59 and name HG2 ))   
   (( resid 59 and name HB2 ))   
3.400  1.500  1.500  peak   2921  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.625   ppm2  2.301   CV     1  
 
ASSI  { 2922} 
   (( resid 59 and name HE% ))   
   (( resid 59 and name HB2 ))   
3.900  1.900  1.900  peak   2922  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.848   ppm2  2.301   CV     1  
 
ASSI  { 2933} 
   (( resid 59 and name HG2 ))   
   (( resid 59 and name HB3 ))   
2.800  1.000  1.000  peak   2933  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.625   ppm2  2.136   CV     1  
 
ASSI  { 2941} 
   (( resid 59 and name HE% ))   
   (( resid 59 and name HG2 ))   
3.200  1.300  1.300  peak   2941  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.848   ppm2  2.625   CV     1  
 
ASSI  { 2972} 
   (( resid 60 and name HA ))   
   (( resid 60 and name HN ))   
2.100  2.100  3.900  peak   2972  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.684   ppm2  9.095   CV     1  
 
ASSI  { 2973} 
   (( resid 60 and name HB2 ))   
   (( resid 60 and name HN ))   
2.700  0.900  0.900  peak   2973  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.055   ppm2  9.095   CV     1  
 
ASSI  { 2974} 
   (( resid 60 and name HB3 ))   
   (( resid 60 and name HN ))   
2.500  0.800  0.800  peak   2974  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.922   ppm2  9.095   CV     1  
 
ASSI  { 2989} 
   (( resid 60 and name HB2 ))   
   (( resid 60 and name HA ))   
2.700  0.900  0.900  peak   2989  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.055   ppm2  4.684   CV     1  
 
ASSI  { 2990} 
   (( resid 60 and name HB3 ))   
   (( resid 60 and name HA ))   
3.200  1.300  1.300  peak   2990  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.922   ppm2  4.684   CV     1  
 
ASSI  { 2998} 
   (( resid 60 and name HB3 ))   
   (( resid 60 and name HB2 ))   
2.800  1.000  1.000  peak   2998  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.922   ppm2  2.055   CV     1  
 
ASSI  { 3023} 
   (( resid 61 and name HA1 ))   
   (( resid 61 and name HN ))   
2.200  0.600  0.600  peak   3023  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.765   ppm2  9.042   CV     1  
 
ASSI  { 3024} 
   (( resid 61 and name HA2 ))   
   (( resid 61 and name HN ))   
2.600  0.800  0.800  peak   3024  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.107   ppm2  9.042   CV     1  
 
ASSI  { 3037} 
   (( resid 61 and name HA2 ))   
   (( resid 61 and name HA1 ))   
2.300  0.700  0.700  peak   3037  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.107   ppm2  3.765   CV     1  
 
ASSI  { 3059} 
   (( resid 62 and name HA ))   
   (( resid 62 and name HN ))   
2.300  0.600  0.600  peak   3059  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.913   ppm2  8.810   CV     1  
 
ASSI  { 3061} 
   (( resid 62 and name HB2 ))   
   (( resid 62 and name HN ))   
2.500  2.500  3.500  peak   3061  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.989   ppm2  8.810   CV     1  
 
ASSI  { 3069} 
   (( resid 62 and name HB3 ))   
   (( resid 62 and name HA ))   
2.600  0.800  0.800  peak   3069  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.191   ppm2  4.913   CV     1  
 
ASSI  { 3070} 
   (( resid 62 and name HB2 ))   
   (( resid 62 and name HA ))   
2.800  1.000  1.000  peak   3070  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.989   ppm2  4.913   CV     1  
 
ASSI  { 3082} 
   (( resid 62 and name HB2 ))   
   (( resid 62 and name HB3 ))   
2.500  0.800  0.800  peak   3082  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.989   ppm2  3.191   CV     1  
 
ASSI  { 3106} 
   (( resid 63 and name HA ))   
   (( resid 63 and name HN ))   
2.100  2.100  3.900  peak   3106  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.185   ppm2  8.016   CV     1  
 
ASSI  { 3107} 
   (( resid  and name  ))   
   (( resid 63 and name HN ))   
2.600  2.600  3.400  peak   3107  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  8.016   CV     1  
 
ASSI  { 3118} 
   (( resid  and name  ))   
   (( resid 63 and name HA ))   
2.900  1.000  1.000  peak   3118  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  5.185   CV     1  
 
ASSI  { 3174} 
   (( resid 64 and name HG ))   
   (( resid 64 and name HA ))   
3.000  1.100  1.100  peak   3174  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.905   ppm2  5.039   CV     1  
 
ASSI  { 3238} 
   (( resid 65 and name HA ))   
   (( resid 65 and name HN ))   
2.100  2.100  3.900  peak   3238  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.863   ppm2  9.376   CV     1  
 
ASSI  { 3265} 
   (( resid  and name  ))   
   (( resid 65 and name HB ))   
3.700  1.700  1.700  peak   3265  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  1.996   CV     1  
 
ASSI  { 3292} 
   (( resid 66 and name HA1 ))   
   (( resid 66 and name HN ))   
2.200  0.600  0.600  peak   3292  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.805   ppm2  10.13   CV     1  
 
ASSI  { 3293} 
   (( resid 66 and name HA2 ))   
   (( resid 66 and name HN ))   
2.400  0.700  0.700  peak   3293  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.434   ppm2  10.13   CV     1  
 
ASSI  { 3310} 
   (( resid 66 and name HA2 ))   
   (( resid 66 and name HA1 ))   
2.400  0.700  0.700  peak   3310  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.434   ppm2  1.805   CV     1  
 
ASSI  { 3337} 
   (( resid 67 and name HA ))   
   (( resid 67 and name HN ))   
2.200  0.600  0.600  peak   3337  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.554   ppm2  7.491   CV     1  
 
ASSI  { 3338} 
   (( resid 67 and name HB2 ))   
   (( resid 67 and name HN ))   
3.000  1.100  1.100  peak   3338  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.475   ppm2  7.491   CV     1  
 
ASSI  { 3339} 
   (( resid 67 and name HB3 ))   
   (( resid 67 and name HN ))   
2.700  0.900  0.900  peak   3339  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.600   ppm2  7.491   CV     1  
 
ASSI  { 3350} 
   (( resid 67 and name HB2 ))   
   (( resid 67 and name HA ))   
2.700  0.900  0.900  peak   3350  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.475   ppm2  4.554   CV     1  
 
ASSI  { 3351} 
   (( resid 67 and name HB3 ))   
   (( resid 67 and name HA ))   
3.300  1.400  1.400  peak   3351  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.600   ppm2  4.554   CV     1  
 
ASSI  { 3365} 
   (( resid 67 and name HB3 ))   
   (( resid 67 and name HB2 ))   
2.900  1.100  1.100  peak   3365  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.600   ppm2  1.475   CV     1  
 
ASSI  { 3390} 
   (( resid 68 and name HA ))   
   (( resid 68 and name HN ))   
2.100  2.100  3.900  peak   3390  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.443   ppm2  8.457   CV     1  
 
ASSI  { 3391} 
   (( resid 68 and name HB2 ))   
   (( resid 68 and name HN ))   
2.300  2.300  3.700  peak   3391  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.003   ppm2  8.457   CV     1  
 
ASSI  { 3392} 
   (( resid 68 and name HB3 ))   
   (( resid 68 and name HN ))   
2.700  0.900  0.900  peak   3392  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.859   ppm2  8.457   CV     1  
 
ASSI  { 3417} 
   (( resid 68 and name HB2 ))   
   (( resid 68 and name HA ))   
2.600  0.900  0.900  peak   3417  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.003   ppm2  5.443   CV     1  
 
ASSI  { 3418} 
   (( resid 68 and name HB3 ))   
   (( resid 68 and name HA ))   
2.500  0.800  0.800  peak   3418  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.859   ppm2  5.443   CV     1  
 
ASSI  { 3432} 
   (( resid 68 and name HB3 ))   
   (( resid 68 and name HB2 ))   
2.400  0.700  0.700  peak   3432  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.859   ppm2  3.003   CV     1  
 
ASSI  { 3552} 
   (( resid 71 and name HA ))   
   (( resid 71 and name HN ))   
2.400  0.700  0.700  peak   3552  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.712   ppm2  8.277   CV     1  
 
ASSI  { 3562} 
   (( resid 71 and name HB ))   
   (( resid 71 and name HA ))   
3.100  1.200  1.200  peak   3562  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.993   ppm2  3.712   CV     1  
 
ASSI  { 3595} 
   (( resid 72 and name HB3 ))   
   (( resid 72 and name HN ))   
2.800  1.000  1.000  peak   3595  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.773   ppm2  9.015   CV     1  
 
ASSI  { 3605} 
   (( resid 72 and name HB3 ))   
   (( resid 72 and name HA ))   
3.400  1.500  1.500  peak   3605  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.773   ppm2  4.311   CV     1  
 
ASSI  { 3606} 
   (( resid 72 and name HB2 ))   
   (( resid 72 and name HA ))   
3.000  1.100  1.100  peak   3606  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.513   ppm2  4.311   CV     1  
 
ASSI  { 3619} 
   (( resid 72 and name HB2 ))   
   (( resid 72 and name HB3 ))   
3.100  3.100  2.900  peak   3619  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.513   ppm2  1.773   CV     1  
 
ASSI  { 3641} 
   (( resid 73 and name HB3 ))   
   (( resid 73 and name HN ))   
2.500  2.500  3.500  peak   3641  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.267   ppm2  8.442   CV     1  
 
ASSI  { 3642} 
   (( resid 73 and name HB2 ))   
   (( resid 73 and name HN ))   
2.700  0.900  0.900  peak   3642  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.683   ppm2  8.442   CV     1  
 
ASSI  { 3653} 
   (( resid 73 and name HB3 ))   
   (( resid 73 and name HA ))   
2.900  1.100  1.100  peak   3653  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.267   ppm2  4.865   CV     1  
 
ASSI  { 3654} 
   (( resid 73 and name HB2 ))   
   (( resid 73 and name HA ))   
2.700  0.900  0.900  peak   3654  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.683   ppm2  4.865   CV     1  
 
ASSI  { 3664} 
   (( resid 73 and name HB2 ))   
   (( resid 73 and name HB3 ))   
2.600  0.800  0.800  peak   3664  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.683   ppm2  3.267   CV     1  
 
ASSI  { 3692} 
   (( resid 74 and name HA1 ))   
   (( resid 74 and name HN ))   
2.500  0.800  0.800  peak   3692  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.142   ppm2  7.951   CV     1  
 
ASSI  { 3693} 
   (( resid 74 and name HA2 ))   
   (( resid 74 and name HN ))   
2.100  0.600  0.600  peak   3693  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.956   ppm2  7.951   CV     1  
 
ASSI  { 3702} 
   (( resid 74 and name HA2 ))   
   (( resid 74 and name HA1 ))   
2.300  0.700  0.700  peak   3702  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.956   ppm2  4.142   CV     1  
 
ASSI  { 3727} 
   (( resid 75 and name HD2 ))   
   (( resid 75 and name HN ))   
2.100  2.100  3.900  peak   3727  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.955   ppm2  8.164   CV     1  
 
ASSI  { 3740} 
   (( resid 75 and name HD2 ))   
   (( resid 75 and name HA ))   
3.600  1.600  1.600  peak   3740  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.955   ppm2  4.323   CV     1  
 
ASSI  { 3782} 
   (( resid 76 and name HA ))   
   (( resid 76 and name HN ))   
2.200  0.600  0.600  peak   3782  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.963   ppm2  8.486   CV     1  
 
ASSI  { 3783} 
   (( resid 76 and name HB3 ))   
   (( resid 76 and name HN ))   
2.900  1.100  1.100  peak   3783  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.071   ppm2  8.486   CV     1  
 
ASSI  { 3795} 
   (( resid 76 and name HB3 ))   
   (( resid 76 and name HA ))   
2.500  0.800  0.800  peak   3795  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.071   ppm2  4.963   CV     1  
 
ASSI  { 3831} 
   (( resid 77 and name HA ))   
   (( resid 77 and name HN ))   
2.100  2.100  3.900  peak   3831  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.116   ppm2  8.726   CV     1  
 
ASSI  { 3832} 
   (( resid 77 and name HG ))   
   (( resid 77 and name HN ))   
3.100  3.100  2.900  peak   3832  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.622   ppm2  8.726   CV     1  
 
ASSI  { 3843} 
   (( resid 77 and name HD1% ))   
   (( resid 77 and name HA ))   
3.700  1.700  1.700  peak   3843  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.588   ppm2  5.116   CV     1  
 
ASSI  { 3844} 
   (( resid 77 and name HD2% ))   
   (( resid 77 and name HA ))   
3.800  1.800  1.800  peak   3844  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.712   ppm2  5.116   CV     1  
 
ASSI  { 3857} 
   (( resid 77 and name HD1% ))   
   (( resid 77 and name HG ))   
3.900  1.900  1.900  peak   3857  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.588   ppm2  1.622   CV     1  
 
ASSI  { 3858} 
   (( resid 77 and name HD2% ))   
   (( resid 77 and name HG ))   
4.100  2.100  1.900  peak   3858  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.712   ppm2  1.622   CV     1  
 
ASSI  { 3871} 
   (( resid 77 and name HD2% ))   
   (( resid 77 and name HD1% ))   
4.700  2.800  1.300  peak   3871  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.712   ppm2  0.588   CV     1  
 
ASSI  { 3894} 
   (( resid 78 and name HD1% ))   
   (( resid 78 and name HN ))   
3.000  1.100  1.100  peak   3894  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.886   ppm2  8.288   CV     1  
 
ASSI  { 3915} 
   (( resid 78 and name HB ))   
   (( resid 78 and name HA ))   
2.800  1.000  1.000  peak   3915  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.908   ppm2  5.041   CV     1  
 
ASSI  { 3916} 
   (( resid 78 and name HG2% ))   
   (( resid 78 and name HA ))   
3.300  1.400  1.400  peak   3916  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.928   ppm2  5.041   CV     1  
 
ASSI  { 3917} 
   (( resid 78 and name HD1% ))   
   (( resid 78 and name HA ))   
3.500  1.500  1.500  peak   3917  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.886   ppm2  5.041   CV     1  
 
ASSI  { 3931} 
   (( resid 78 and name HD1% ))   
   (( resid 78 and name HB ))   
3.600  1.700  1.700  peak   3931  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.886   ppm2  1.908   CV     1  
 
ASSI  { 3953} 
   (( resid 78 and name HD1% ))   
   (( resid 78 and name HG2% ))   
4.400  2.400  1.600  peak   3953  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.886   ppm2  0.928   CV     1  
 
ASSI  { 4021} 
   (( resid 80 and name HA ))   
   (( resid 80 and name HN ))   
2.100  2.100  3.900  peak   4021  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.361   ppm2  9.079   CV     1  
 
ASSI  { 4041} 
   (( resid 80 and name HB ))   
   (( resid 80 and name HA ))   
2.800  1.000  1.000  peak   4041  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.193   ppm2  5.361   CV     1  
 
ASSI  { 4043} 
   (( resid  and name  ))   
   (( resid 80 and name HA ))   
2.900  1.100  1.100  peak   4043  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  5.361   CV     1  
 
ASSI  { 4090} 
   (( resid 81 and name HA ))   
   (( resid 81 and name HN ))   
2.100  2.100  3.900  peak   4090  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.272   ppm2  9.372   CV     1  
 
ASSI  { 4111} 
   (( resid 82 and name HA ))   
   (( resid 82 and name HN ))   
2.100  2.100  3.900  peak   4111  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.156   ppm2  8.902   CV     1  
 
ASSI  { 4133} 
   (( resid 82 and name HB3 ))   
   (( resid 82 and name HA ))   
2.700  0.900  0.900  peak   4133  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.982   ppm2  5.156   CV     1  
 
ASSI  { 4155} 
   (( resid 83 and name HA ))   
   (( resid 83 and name HN ))   
2.200  2.200  3.800  peak   4155  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.694   ppm2  8.595   CV     1  
 
ASSI  { 4156} 
   (( resid 83 and name HB ))   
   (( resid 83 and name HN ))   
2.600  0.800  0.800  peak   4156  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.619   ppm2  8.595   CV     1  
 
ASSI  { 4158} 
   (( resid 83 and name HD1% ))   
   (( resid 83 and name HN ))   
4.400  2.400  1.600  peak   4158  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.157   ppm2  8.595   CV     1  
 
ASSI  { 4166} 
   (( resid 83 and name HB ))   
   (( resid 83 and name HA ))   
3.000  1.100  1.100  peak   4166  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.619   ppm2  4.694   CV     1  
 
ASSI  { 4167} 
   (( resid 83 and name HG2% ))   
   (( resid 83 and name HA ))   
3.300  1.400  1.400  peak   4167  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.852   ppm2  4.694   CV     1  
 
ASSI  { 4168} 
   (( resid 83 and name HD1% ))   
   (( resid 83 and name HA ))   
4.600  2.600  1.400  peak   4168  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.157   ppm2  4.694   CV     1  
 
ASSI  { 4187} 
   (( resid 83 and name HG2% ))   
   (( resid 83 and name HB ))   
3.800  1.800  1.800  peak   4187  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.852   ppm2  1.619   CV     1  
 
ASSI  { 4188} 
   (( resid 83 and name HD1% ))   
   (( resid 83 and name HB ))   
5.500  3.700  0.500  peak   4188  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.157   ppm2  1.619   CV     1  
 
ASSI  { 4196} 
   (( resid 83 and name HD1% ))   
   (( resid 83 and name HG2% ))   
5.900  4.300  0.100  peak   4196  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.157   ppm2  0.852   CV     1  
 
ASSI  { 4227} 
   (( resid 84 and name HA ))   
   (( resid 84 and name HN ))   
2.200  2.200  3.800  peak   4227  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.689   ppm2  8.967   CV     1  
 
ASSI  { 4228} 
   (( resid 84 and name HB3 ))   
   (( resid 84 and name HN ))   
2.600  0.800  0.800  peak   4228  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.845   ppm2  8.967   CV     1  
 
ASSI  { 4243} 
   (( resid 84 and name HB3 ))   
   (( resid 84 and name HA ))   
2.700  0.900  0.900  peak   4243  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.845   ppm2  4.689   CV     1  
 
ASSI  { 4244} 
   (( resid 84 and name HB2 ))   
   (( resid 84 and name HA ))   
2.700  0.900  0.900  peak   4244  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.568   ppm2  4.689   CV     1  
 
ASSI  { 4253} 
   (( resid 84 and name HB2 ))   
   (( resid 84 and name HB3 ))   
2.400  0.700  0.700  peak   4253  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.568   ppm2  3.845   CV     1  
 
ASSI  { 4285} 
   (( resid 85 and name HA1 ))   
   (( resid 85 and name HN ))   
2.200  0.600  0.600  peak   4285  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.027   ppm2  9.130   CV     1  
 
ASSI  { 4286} 
   (( resid 85 and name HA2 ))   
   (( resid 85 and name HN ))   
2.500  0.800  0.800  peak   4286  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.633   ppm2  9.130   CV     1  
 
ASSI  { 4297} 
   (( resid 85 and name HA2 ))   
   (( resid 85 and name HA1 ))   
2.300  0.700  0.700  peak   4297  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.633   ppm2  4.027   CV     1  
 
ASSI  { 4316} 
   (( resid 86 and name HA ))   
   (( resid 86 and name HN ))   
2.200  0.600  0.600  peak   4316  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.910   ppm2  8.850   CV     1  
 
ASSI  { 4317} 
   (( resid 86 and name HB3 ))   
   (( resid 86 and name HN ))   
2.800  1.000  1.000  peak   4317  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.190   ppm2  8.850   CV     1  
 
ASSI  { 4318} 
   (( resid 86 and name HB2 ))   
   (( resid 86 and name HN ))   
2.400  2.400  3.600  peak   4318  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.988   ppm2  8.850   CV     1  
 
ASSI  { 4329} 
   (( resid 86 and name HB3 ))   
   (( resid 86 and name HA ))   
2.500  0.800  0.800  peak   4329  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.190   ppm2  4.910   CV     1  
 
ASSI  { 4330} 
   (( resid 86 and name HB2 ))   
   (( resid 86 and name HA ))   
2.800  1.000  1.000  peak   4330  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.988   ppm2  4.910   CV     1  
 
ASSI  { 4339} 
   (( resid 86 and name HB2 ))   
   (( resid 86 and name HB3 ))   
2.500  0.800  0.800  peak   4339  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.988   ppm2  3.190   CV     1  
 
ASSI  { 4375} 
   (( resid 87 and name HB2 ))   
   (( resid 87 and name HA ))   
2.600  0.900  0.900  peak   4375  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.008   ppm2  5.275   CV     1  
 
ASSI  { 4376} 
   (( resid 87 and name HB3 ))   
   (( resid 87 and name HA ))   
2.600  0.900  0.900  peak   4376  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.257   ppm2  5.275   CV     1  
 
ASSI  { 4391} 
   (( resid 87 and name HB3 ))   
   (( resid 87 and name HB2 ))   
2.500  0.800  0.800  peak   4391  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.257   ppm2  2.008   CV     1  
 
ASSI  { 4424} 
   (( resid 88 and name HA ))   
   (( resid 88 and name HN ))   
2.100  2.100  3.900  peak   4424  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.725   ppm2  8.662   CV     1  
 
ASSI  { 4425} 
   (( resid 88 and name HG ))   
   (( resid 88 and name HN ))   
3.500  1.500  1.500  peak   4425  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.877   ppm2  8.662   CV     1  
 
ASSI  { 4449} 
   (( resid  and name  ))   
   (( resid 88 and name HA ))   
5.700  4.000  0.300  peak   4449  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  4.725   CV     1  
 
ASSI  { 4464} 
   (( resid  and name  ))   
   (( resid 88 and name HG ))   
5.800  4.100  0.200  peak   4464  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  0.877   CV     1  
 
ASSI  { 4516} 
   (( resid 89 and name HD1% ))   
   (( resid 89 and name HA ))   
3.700  1.800  1.800  peak   4516  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.941   ppm2  4.566   CV     1  
 
ASSI  { 4535} 
   (( resid 89 and name HD1% ))   
   (( resid 89 and name HB ))   
3.800  1.800  1.800  peak   4535  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.941   ppm2  1.983   CV     1  
 
ASSI  { 4544} 
   (( resid 89 and name HD1% ))   
   (( resid 89 and name HG2% ))   
4.300  2.300  1.700  peak   4544  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.941   ppm2  1.125   CV     1  
 
ASSI  { 4571} 
   (( resid 90 and name HA ))   
   (( resid 90 and name HN ))   
2.100  2.100  3.900  peak   4571  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.798   ppm2  9.514   CV     1  
 
ASSI  { 4572} 
   (( resid 90 and name HB2 ))   
   (( resid 90 and name HN ))   
2.600  0.800  0.800  peak   4572  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.215   ppm2  9.514   CV     1  
 
ASSI  { 4573} 
   (( resid 90 and name HB3 ))   
   (( resid 90 and name HN ))   
2.300  0.700  0.700  peak   4573  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.462   ppm2  9.514   CV     1  
 
ASSI  { 4583} 
   (( resid 90 and name HB2 ))   
   (( resid 90 and name HA ))   
2.500  0.800  0.800  peak   4583  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.215   ppm2  5.798   CV     1  
 
ASSI  { 4584} 
   (( resid 90 and name HB3 ))   
   (( resid 90 and name HA ))   
2.900  1.000  1.000  peak   4584  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.462   ppm2  5.798   CV     1  
 
ASSI  { 4594} 
   (( resid 90 and name HB3 ))   
   (( resid 90 and name HB2 ))   
2.600  0.800  0.800  peak   4594  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.462   ppm2  2.215   CV     1  
 
ASSI  { 4619} 
   (( resid 91 and name HG2% ))   
   (( resid 91 and name HN ))   
2.900  1.000  1.000  peak   4619  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.142   ppm2  9.407   CV     1  
 
ASSI  { 4629} 
   (( resid 91 and name HB ))   
   (( resid 91 and name HA ))   
2.400  0.700  0.700  peak   4629  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.031   ppm2  5.347   CV     1  
 
ASSI  { 4674} 
   (( resid 92 and name HA ))   
   (( resid 92 and name HN ))   
2.000  2.000  4.000  peak   4674  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.698   ppm2  9.004   CV     1  
 
ASSI  { 4675} 
   (( resid 92 and name HB3 ))   
   (( resid 92 and name HN ))   
2.900  1.100  1.100  peak   4675  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.216   ppm2  9.004   CV     1  
 
ASSI  { 4677} 
   (( resid 92 and name HD% ))   
   (( resid 92 and name HN ))   
1.700  0.400  0.500  peak   4677  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.152   ppm2  9.004   CV     1  
 
ASSI  { 4695} 
   (( resid 92 and name HB3 ))   
   (( resid 92 and name HA ))   
2.300  0.700  0.700  peak   4695  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.216   ppm2  5.698   CV     1  
 
ASSI  { 4696} 
   (( resid 92 and name HB2 ))   
   (( resid 92 and name HA ))   
2.700  0.900  0.900  peak   4696  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.011   ppm2  5.698   CV     1  
 
ASSI  { 4697} 
   (( resid 92 and name HD% ))   
   (( resid 92 and name HA ))   
2.300  2.300  3.700  peak   4697  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.152   ppm2  5.698   CV     1  
 
ASSI  { 4698} 
   (( resid 92 and name HE% ))   
   (( resid 92 and name HA ))   
1.700  1.700  4.300  peak   4698  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.619   ppm2  5.698   CV     1  
 
ASSI  { 4709} 
   (( resid 92 and name HD% ))   
   (( resid 92 and name HB3 ))   
2.200  0.600  0.600  peak   4709  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.152   ppm2  3.216   CV     1  
 
ASSI  { 4727} 
   (( resid 92 and name HD% ))   
   (( resid 92 and name HB2 ))   
2.500  0.800  0.800  peak   4727  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.152   ppm2  3.011   CV     1  
 
ASSI  { 4728} 
   (( resid 92 and name HE% ))   
   (( resid 92 and name HB2 ))   
1.900  1.900  4.100  peak   4728  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.619   ppm2  3.011   CV     1  
 
ASSI  { 4744} 
   (( resid 92 and name HE% ))   
   (( resid 92 and name HD% ))   
2.000  0.500  0.500  peak   4744  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.619   ppm2  7.152   CV     1  
 
ASSI  { 4782} 
   (( resid 93 and name HB ))   
   (( resid 93 and name HA ))   
2.500  0.800  0.800  peak   4782  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.030   ppm2  5.332   CV     1  
 
ASSI  { 4805} 
   (( resid 93 and name HG2% ))   
   (( resid 93 and name HB ))   
3.100  1.200  1.200  peak   4805  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.141   ppm2  4.030   CV     1  
 
ASSI  { 4844} 
   (( resid 94 and name HB3 ))   
   (( resid 94 and name HA ))   
2.900  1.100  1.100  peak   4844  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.998   ppm2  4.996   CV     1  
 
ASSI  { 4845} 
   (( resid 94 and name HB2 ))   
   (( resid 94 and name HA ))   
2.400  0.700  0.700  peak   4845  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.049   ppm2  4.996   CV     1  
 
ASSI  { 4846} 
   (( resid 94 and name HD% ))   
   (( resid 94 and name HA ))   
2.000  0.500  0.500  peak   4846  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.331   ppm2  4.996   CV     1  
 
ASSI  { 4866} 
   (( resid 94 and name HB2 ))   
   (( resid 94 and name HB3 ))   
2.400  0.700  0.700  peak   4866  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.049   ppm2  2.998   CV     1  
 
ASSI  { 4867} 
   (( resid 94 and name HD% ))   
   (( resid 94 and name HB3 ))   
2.300  0.700  0.700  peak   4867  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.331   ppm2  2.998   CV     1  
 
ASSI  { 4868} 
   (( resid 94 and name HE% ))   
   (( resid 94 and name HB3 ))   
3.000  3.000  3.000  peak   4868  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.566   ppm2  2.998   CV     1  
 
ASSI  { 4879} 
   (( resid 94 and name HD% ))   
   (( resid 94 and name HB2 ))   
2.500  0.800  0.800  peak   4879  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.331   ppm2  3.049   CV     1  
 
ASSI  { 4897} 
   (( resid 94 and name HE% ))   
   (( resid 94 and name HD% ))   
2.000  0.500  0.500  peak   4897  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.566   ppm2  7.331   CV     1  
 
ASSI  { 4925} 
   (( resid 95 and name HA ))   
   (( resid 95 and name HN ))   
2.300  0.700  0.700  peak   4925  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.660   ppm2  9.525   CV     1  
 
ASSI  { 4926} 
   (( resid 95 and name HB3 ))   
   (( resid 95 and name HN ))   
3.200  1.300  1.300  peak   4926  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.015   ppm2  9.525   CV     1  
 
ASSI  { 4927} 
   (( resid 95 and name HB2 ))   
   (( resid 95 and name HN ))   
2.300  2.300  3.700  peak   4927  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.686   ppm2  9.525   CV     1  
 
ASSI  { 4928} 
   (( resid 95 and name HG2 ))   
   (( resid 95 and name HN ))   
2.600  0.900  0.900  peak   4928  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.359   ppm2  9.525   CV     1  
 
ASSI  { 4937} 
   (( resid 95 and name HB3 ))   
   (( resid 95 and name HA ))   
3.000  1.100  1.100  peak   4937  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.015   ppm2  3.660   CV     1  
 
ASSI  { 4938} 
   (( resid 95 and name HB2 ))   
   (( resid 95 and name HA ))   
3.400  1.500  1.500  peak   4938  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.686   ppm2  3.660   CV     1  
 
ASSI  { 4939} 
   (( resid 95 and name HG2 ))   
   (( resid 95 and name HA ))   
3.200  1.300  1.300  peak   4939  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.359   ppm2  3.660   CV     1  
 
ASSI  { 4952} 
   (( resid 95 and name HB2 ))   
   (( resid 95 and name HB3 ))   
2.900  2.900  3.100  peak   4952  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.686   ppm2  2.015   CV     1  
 
ASSI  { 4953} 
   (( resid 95 and name HG2 ))   
   (( resid 95 and name HB3 ))   
3.800  1.800  1.800  peak   4953  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.359   ppm2  2.015   CV     1  
 
ASSI  { 4960} 
   (( resid 95 and name HG2 ))   
   (( resid 95 and name HB2 ))   
3.700  1.700  1.700  peak   4960  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.359   ppm2  1.686   CV     1  
 
ASSI  { 4984} 
   (( resid 96 and name HA1 ))   
   (( resid 96 and name HN ))   
2.600  0.800  0.800  peak   4984  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.126   ppm2  8.580   CV     1  
 
ASSI  { 4985} 
   (( resid 96 and name HA2 ))   
   (( resid 96 and name HN ))   
2.300  0.600  0.600  peak   4985  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.582   ppm2  8.580   CV     1  
 
ASSI  { 4990} 
   (( resid 96 and name HA2 ))   
   (( resid 96 and name HA1 ))   
2.400  0.700  0.700  peak   4990  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.582   ppm2  4.126   CV     1  
 
ASSI  { 5021} 
   (( resid 97 and name HB ))   
   (( resid 97 and name HA ))   
2.900  1.000  1.000  peak   5021  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.251   ppm2  4.293   CV     1  
 
ASSI  { 5135} 
   (( resid 101 and name HG2 ))   
   (( resid 101 and name HA ))   
3.500  1.500  1.500  peak   5135  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.544   ppm2  4.612   CV     1  
 
ASSI  { 5136} 
   (( resid 101 and name HD3 ))   
   (( resid 101 and name HA ))   
3.300  3.300  2.700  peak   5136  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.148   ppm2  4.612   CV     1  
 
ASSI  { 5151} 
   (( resid 101 and name HD3 ))   
   (( resid 101 and name HG2 ))   
3.200  1.300  1.300  peak   5151  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.148   ppm2  1.544   CV     1  
 
ASSI  { 5171} 
   (( resid 102 and name HG2% ))   
   (( resid 102 and name HN ))   
2.600  0.800  0.800  peak   5171  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.592   ppm2  8.502   CV     1  
 
ASSI  { 5183} 
   (( resid 102 and name HG2% ))   
   (( resid 102 and name HA ))   
3.100  1.200  1.200  peak   5183  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.592   ppm2  4.781   CV     1  
 
ASSI  { 5196} 
   (( resid 102 and name HD1% ))   
   (( resid 102 and name HB ))   
3.900  1.900  1.900  peak   5196  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.942   ppm2  1.829   CV     1  
 
ASSI  { 5203} 
   (( resid 102 and name HD1% ))   
   (( resid 102 and name HG2% ))   
3.900  1.900  1.900  peak   5203  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.942   ppm2  1.592   CV     1  
 
ASSI  { 5224} 
   (( resid 103 and name HD% ))   
   (( resid 103 and name HN ))   
1.800  0.400  0.400  peak   5224  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.173   ppm2  9.725   CV     1  
 
ASSI  { 5234} 
   (( resid 103 and name HB2 ))   
   (( resid 103 and name HA ))   
2.800  1.000  1.000  peak   5234  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.534   ppm2  4.580   CV     1  
 
ASSI  { 5236} 
   (( resid 103 and name HD% ))   
   (( resid 103 and name HA ))   
2.500  0.800  0.800  peak   5236  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.173   ppm2  4.580   CV     1  
 
ASSI  { 5237} 
   (( resid 103 and name HE% ))   
   (( resid 103 and name HA ))   
1.800  1.800  4.200  peak   5237  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.011   ppm2  4.580   CV     1  
 
ASSI  { 5252} 
   (( resid 103 and name HB3 ))   
   (( resid 103 and name HB2 ))   
2.300  0.700  0.700  peak   5252  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.216   ppm2  3.534   CV     1  
 
ASSI  { 5253} 
   (( resid 103 and name HD% ))   
   (( resid 103 and name HB2 ))   
2.300  0.700  0.700  peak   5253  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.173   ppm2  3.534   CV     1  
 
ASSI  { 5267} 
   (( resid 103 and name HD% ))   
   (( resid 103 and name HB3 ))   
2.100  0.600  0.600  peak   5267  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.173   ppm2  3.216   CV     1  
 
ASSI  { 5278} 
   (( resid 103 and name HE% ))   
   (( resid 103 and name HD% ))   
1.900  0.500  0.500  peak   5278  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.011   ppm2  7.173   CV     1  
 
ASSI  { 5303} 
   (( resid 104 and name HB2 ))   
   (( resid 104 and name HN ))   
2.400  2.400  3.600  peak   5303  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.124   ppm2  8.765   CV     1  
 
ASSI  { 5320} 
   (( resid 104 and name HB2 ))   
   (( resid 104 and name HA ))   
2.700  0.900  0.900  peak   5320  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.124   ppm2  5.383   CV     1  
 
ASSI  { 5321} 
   (( resid 104 and name HB3 ))   
   (( resid 104 and name HA ))   
2.500  0.800  0.800  peak   5321  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.124   ppm2  5.383   CV     1  
 
ASSI  { 5332} 
   (( resid 104 and name HB3 ))   
   (( resid 104 and name HB2 ))   
2.600  0.900  0.900  peak   5332  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.124   ppm2  2.124   CV     1  
 
ASSI  { 5364} 
   (( resid 105 and name HB3 ))   
   (( resid 105 and name HN ))   
2.600  0.800  0.800  peak   5364  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.605   ppm2  8.686   CV     1  
 
ASSI  { 5381} 
   (( resid 105 and name HB2 ))   
   (( resid 105 and name HA ))   
2.600  0.900  0.900  peak   5381  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.506   ppm2  4.012   CV     1  
 
ASSI  { 5382} 
   (( resid 105 and name HB3 ))   
   (( resid 105 and name HA ))   
3.200  1.300  1.300  peak   5382  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.605   ppm2  4.012   CV     1  
 
ASSI  { 5398} 
   (( resid 105 and name HB3 ))   
   (( resid 105 and name HB2 ))   
2.900  2.900  3.100  peak   5398  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.605   ppm2  1.506   CV     1  
 
ASSI  { 5420} 
   (( resid 106 and name HA ))   
   (( resid 106 and name HN ))   
2.200  0.600  0.600  peak   5420  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.178   ppm2  8.431   CV     1  
 
ASSI  {    6} 
   (( resid 2 and name HB3 ))   
   (( resid 2 and name HB2 ))   
2.500  0.800  0.800  peak   6  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.075   ppm2  3.197   CV     1  
 
ASSI  {   25} 
   (( resid 2 and name HB2 ))   
   (( resid 2 and name HN ))   
2.500  0.800  0.800  peak   25  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.197   ppm2  7.890   CV     1  
 
ASSI  {  400} 
   (( resid 2 and name HB3 ))   
   (( resid 2 and name HN ))   
0.000  0.000  6.000  peak   400  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.075   ppm2  7.890   CV     1  
 
ASSI  {   30} 
   (( resid 2 and name HB3 ))   
   (( resid 2 and name HA ))   
2.700  0.900  0.900  peak   30  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.075   ppm2  4.368   CV     1  
 
ASSI  {  402} 
   (( resid 2 and name HB2 ))   
   (( resid 2 and name HA ))   
0.000  0.000  6.000  peak   402  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.197   ppm2  4.368   CV     1  
 
ASSI  {   45} 
   (( resid 3 and name HA ))   
   (( resid 3 and name HN ))   
2.300  0.600  0.600  peak   45  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.560   ppm2  7.895   CV     1  
 
ASSI  {  404} 
   (( resid  and name  ))   
   (( resid 3 and name HN ))   
0.000  0.000  6.000  peak   404  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  7.895   CV     1  
 
ASSI  {  405} 
   (( resid  and name  ))   
   (( resid 3 and name HA ))   
0.000  0.000  6.000  peak   405  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  4.560   CV     1  
 
ASSI  {   78} 
   (( resid 5 and name HB ))   
   (( resid 5 and name HN ))   
2.800  1.000  1.000  peak   78  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.948   ppm2  8.331   CV     1  
 
ASSI  {   82} 
   (( resid 5 and name HB ))   
   (( resid 5 and name HA ))   
2.600  0.800  0.800  peak   82  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.948   ppm2  5.285   CV     1  
 
ASSI  {   83} 
   (( resid 5 and name HG2% ))   
   (( resid 5 and name HA ))   
3.200  1.300  1.300  peak   83  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.213   ppm2  5.285   CV     1  
 
ASSI  {   91} 
   (( resid 5 and name HG2% ))   
   (( resid 5 and name HB ))   
3.400  1.400  1.400  peak   91  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.213   ppm2  3.948   CV     1  
 
ASSI  {   99} 
   (( resid 6 and name HB2 ))   
   (( resid 6 and name HN ))   
2.300  0.700  0.700  peak   99  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.236   ppm2  9.399   CV     1  
 
ASSI  {  143} 
   (( resid 7 and name HA ))   
   (( resid 7 and name HN ))   
2.100  2.100  3.900  peak   143  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.950   ppm2  9.796   CV     1  
 
ASSI  {  155} 
   (( resid 7 and name HG3 ))   
   (( resid 7 and name HA ))   
3.300  1.400  1.400  peak   155  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.536   ppm2  5.950   CV     1  
 
ASSI  {  165} 
   (( resid 7 and name HB2 ))   
   (( resid 7 and name HB3 ))   
2.800  1.000  1.000  peak   165  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.980   ppm2  2.039   CV     1  
 
ASSI  {  421} 
   (( resid 7 and name HG3 ))   
   (( resid 7 and name HB3 ))   
0.000  0.000  6.000  peak   421  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.536   ppm2  2.039   CV     1  
 
ASSI  {  422} 
   (( resid 7 and name HG3 ))   
   (( resid 7 and name HB2 ))   
0.000  0.000  6.000  peak   422  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.536   ppm2  1.980   CV     1  
 
ASSI  {  423} 
   (( resid  and name  ))   
   (( resid 7 and name HB2 ))   
0.000  0.000  6.000  peak   423  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  1.980   CV     1  
 
ASSI  {  208} 
   (( resid 8 and name HB ))   
   (( resid 8 and name HA ))   
2.900  1.100  1.100  peak   208  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.402   ppm2  4.436   CV     1  
 
ASSI  {  215} 
   (( resid 11 and name HA ))   
   (( resid 11 and name HN ))   
2.400  0.700  0.700  peak   215  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.160   ppm2  8.491   CV     1  
 
ASSI  {  246} 
   (( resid 12 and name HE3 ))   
   (( resid 12 and name HA ))   
2.400  2.400  3.600  peak   246  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.690   ppm2  4.378   CV     1  
 
ASSI  {  430} 
   (( resid  and name  ))   
   (( resid 13 and name HN ))   
0.000  0.000  6.000  peak   430  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  9.542   CV     1  
 
ASSI  {  431} 
   (( resid  and name  ))   
   (( resid 13 and name HA ))   
0.000  0.000  6.000  peak   431  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  5.464   CV     1  
 
ASSI  {  274} 
   (( resid 13 and name HG ))   
   (( resid 13 and name HA ))   
3.000  1.200  1.200  peak   274  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.219   ppm2  5.464   CV     1  
 
ASSI  {  323} 
   (( resid 14 and name HG2% ))   
   (( resid 14 and name HB ))   
3.200  1.300  1.300  peak   323  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.278   ppm2  4.087   CV     1  
 
ASSI  {  343} 
   (( resid 15 and name HG2% ))   
   (( resid 15 and name HB ))   
3.500  1.500  1.500  peak   343  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.330   ppm2  1.923   CV     1  
 
ASSI  {  362} 
   (( resid 16 and name HB ))   
   (( resid 16 and name HN ))   
2.500  0.800  0.800  peak   362  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.997   ppm2  8.758   CV     1  
 
ASSI  {  363} 
   (( resid 16 and name HG2% ))   
   (( resid 16 and name HN ))   
6.000  5.500  0.000  peak   363  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.015   ppm2  8.758   CV     1  
 
ASSI  {  370} 
   (( resid 16 and name HG2% ))   
   (( resid 16 and name HA ))   
6.000  5.900  0.000  peak   370  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.015   ppm2  4.730   CV     1  
 
ASSI  {  375} 
   (( resid 16 and name HG2% ))   
   (( resid 16 and name HB ))   
6.000  6.000  0.000  peak   375  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.015   ppm2  3.997   CV     1  
 
ASSI  {  379} 
   (( resid 17 and name HB3 ))   
   (( resid 17 and name HN ))   
3.000  1.100  1.100  peak   379  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.044   ppm2  9.073   CV     1  
 
ASSI  {  383} 
   (( resid 17 and name HB3 ))   
   (( resid 17 and name HA ))   
3.400  1.500  1.500  peak   383  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.044   ppm2  4.230   CV     1  
 
ASSI  {  431} 
   (( resid 20 and name HB2 ))   
   (( resid 20 and name HN ))   
2.700  0.900  0.900  peak   431  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.995   ppm2  8.857   CV     1  
 
ASSI  {  528} 
   (( resid 23 and name HA ))   
   (( resid 23 and name HN ))   
2.300  0.600  0.600  peak   528  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.806   ppm2  8.311   CV     1  
 
ASSI  {  529} 
   (( resid 23 and name HB ))   
   (( resid 23 and name HN ))   
2.400  0.700  0.700  peak   529  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.995   ppm2  8.311   CV     1  
 
ASSI  {  534} 
   (( resid 23 and name HB ))   
   (( resid 23 and name HA ))   
2.600  0.800  0.800  peak   534  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.995   ppm2  4.806   CV     1  
 
ASSI  {  552} 
   (( resid 23 and name HG2% ))   
   (( resid 23 and name HA ))   
3.500  1.500  1.500  peak   552  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.121   ppm2  4.806   CV     1  
 
ASSI  {  559} 
   (( resid 24 and name HB ))   
   (( resid 24 and name HN ))   
2.400  0.700  0.700  peak   559  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.373   ppm2  9.432   CV     1  
 
ASSI  {  560} 
   (( resid 24 and name HG1% ))   
   (( resid 24 and name HN ))   
3.700  1.700  1.700  peak   560  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.019   ppm2  9.432   CV     1  
 
ASSI  {  561} 
   (( resid 24 and name HG2% ))   
   (( resid 24 and name HN ))   
3.000  1.100  1.100  peak   561  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.901   ppm2  9.432   CV     1  
 
ASSI  {  573} 
   (( resid 24 and name HG1% ))   
   (( resid 24 and name HA ))   
3.200  1.300  1.300  peak   573  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.019   ppm2  5.034   CV     1  
 
ASSI  {  574} 
   (( resid 24 and name HG2% ))   
   (( resid 24 and name HA ))   
3.200  1.300  1.300  peak   574  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.901   ppm2  5.034   CV     1  
 
ASSI  {  579} 
   (( resid 24 and name HG1% ))   
   (( resid 24 and name HB ))   
3.600  1.600  1.600  peak   579  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.019   ppm2  2.373   CV     1  
 
ASSI  {  580} 
   (( resid 24 and name HG2% ))   
   (( resid 24 and name HB ))   
3.600  1.600  1.600  peak   580  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.901   ppm2  2.373   CV     1  
 
ASSI  {  586} 
   (( resid 25 and name HA ))   
   (( resid 25 and name HN ))   
2.200  2.200  3.800  peak   586  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.342   ppm2  9.163   CV     1  
 
ASSI  {  598} 
   (( resid 26 and name HA ))   
   (( resid 26 and name HN ))   
2.300  0.700  0.700  peak   598  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.478   ppm2  9.322   CV     1  
 
ASSI  {  612} 
   (( resid 27 and name HB2 ))   
   (( resid 27 and name HA ))   
2.900  1.000  1.000  peak   612  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.868   ppm2  5.566   CV     1  
 
ASSI  {  662} 
   (( resid 30 and name HN ))   
   (( resid 30 and name HA ))   
2.500  0.800  0.800  peak   662  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.154   ppm2  4.617   CV     1  
 
ASSI  {  667} 
   (( resid 30 and name HN ))   
   (( resid 30 and name HB2 ))   
2.800  1.000  1.000  peak   667  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.154   ppm2  3.104   CV     1  
 
ASSI  {  670} 
   (( resid 31 and name HA ))   
   (( resid 31 and name HN ))   
2.500  0.800  0.800  peak   670  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.641   ppm2  7.625   CV     1  
 
ASSI  {  671} 
   (( resid 31 and name HB3 ))   
   (( resid 31 and name HN ))   
3.200  1.300  1.300  peak   671  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.873   ppm2  7.625   CV     1  
 
ASSI  {  489} 
   (( resid 31 and name HB3 ))   
   (( resid 31 and name HA ))   
0.000  0.000  6.000  peak   489  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.873   ppm2  4.641   CV     1  
 
ASSI  {  490} 
   (( resid 32 and name HB3 ))   
   (( resid 32 and name HN ))   
0.000  0.000  6.000  peak   490  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.776   ppm2  8.691   CV     1  
 
ASSI  {  711} 
   (( resid 33 and name HG2% ))   
   (( resid 33 and name HB ))   
3.600  1.600  1.600  peak   711  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.610   ppm2  1.982   CV     1  
 
ASSI  {  724} 
   (( resid 35 and name HB ))   
   (( resid 35 and name HN ))   
2.600  0.800  0.800  peak   724  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.361   ppm2  9.146   CV     1  
 
ASSI  {  725} 
   (( resid 35 and name HG1% ))   
   (( resid 35 and name HN ))   
3.500  1.500  1.500  peak   725  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.199   ppm2  9.146   CV     1  
 
ASSI  {  726} 
   (( resid 35 and name HG2% ))   
   (( resid 35 and name HN ))   
3.100  1.200  1.200  peak   726  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.970   ppm2  9.146   CV     1  
 
ASSI  {  730} 
   (( resid 35 and name HB ))   
   (( resid 35 and name HA ))   
2.900  1.100  1.100  peak   730  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.361   ppm2  4.605   CV     1  
 
ASSI  {  735} 
   (( resid 35 and name HG1% ))   
   (( resid 35 and name HB ))   
3.500  1.600  1.600  peak   735  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.199   ppm2  2.361   CV     1  
 
ASSI  {  736} 
   (( resid 35 and name HG2% ))   
   (( resid 35 and name HB ))   
3.700  1.700  1.700  peak   736  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.970   ppm2  2.361   CV     1  
 
ASSI  {  740} 
   (( resid 36 and name HB ))   
   (( resid 36 and name HN ))   
2.800  1.000  1.000  peak   740  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.965   ppm2  8.168   CV     1  
 
ASSI  {  741} 
   (( resid 36 and name HG2% ))   
   (( resid 36 and name HN ))   
4.100  2.100  1.900  peak   741  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.905   ppm2  8.168   CV     1  
 
ASSI  {  742} 
   (( resid 36 and name HG1% ))   
   (( resid 36 and name HN ))   
3.000  1.100  1.100  peak   742  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.007   ppm2  8.168   CV     1  
 
ASSI  {  744} 
   (( resid 36 and name HB ))   
   (( resid 36 and name HA ))   
2.800  1.000  1.000  peak   744  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.965   ppm2  5.131   CV     1  
 
ASSI  {  745} 
   (( resid 36 and name HG2% ))   
   (( resid 36 and name HA ))   
3.400  1.400  1.400  peak   745  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.905   ppm2  5.131   CV     1  
 
ASSI  {  746} 
   (( resid 36 and name HG1% ))   
   (( resid 36 and name HA ))   
3.900  1.900  1.900  peak   746  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.007   ppm2  5.131   CV     1  
 
ASSI  {  752} 
   (( resid 36 and name HG2% ))   
   (( resid 36 and name HB ))   
3.900  1.900  1.900  peak   752  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.905   ppm2  1.965   CV     1  
 
ASSI  {  753} 
   (( resid 36 and name HG1% ))   
   (( resid 36 and name HB ))   
3.900  1.900  1.900  peak   753  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.007   ppm2  1.965   CV     1  
 
ASSI  {  755} 
   (( resid 37 and name HA ))   
   (( resid 37 and name HN ))   
2.300  0.700  0.700  peak   755  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.809   ppm2  8.317   CV     1  
 
ASSI  {  756} 
   (( resid 37 and name HB3 ))   
   (( resid 37 and name HN ))   
2.700  0.900  0.900  peak   756  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.676   ppm2  8.317   CV     1  
 
ASSI  {  758} 
   (( resid 37 and name HE% ))   
   (( resid 37 and name HN ))   
2.400  2.400  3.600  peak   758  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.254   ppm2  8.317   CV     1  
 
ASSI  {  816} 
   (( resid 39 and name HN ))   
   (( resid 39 and name HD1% ))   
4.200  2.300  1.800  peak   816  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.826   ppm2  0.749   CV     1  
 
ASSI  {  817} 
   (( resid 39 and name HD1% ))   
   (( resid 39 and name HA ))   
4.200  2.200  1.800  peak   817  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.749   ppm2  4.593   CV     1  
 
ASSI  {  818} 
   (( resid 39 and name HA ))   
   (( resid 39 and name HN ))   
2.300  0.700  0.700  peak   818  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.593   ppm2  8.826   CV     1  
 
ASSI  {  951} 
   (( resid 41 and name HB ))   
   (( resid 41 and name HA ))   
3.000  1.200  1.200  peak   951  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.378   ppm2  4.398   CV     1  
 
ASSI  {  953} 
   (( resid 41 and name HG1% ))   
   (( resid 41 and name HA ))   
3.500  1.500  1.500  peak   953  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.216   ppm2  4.398   CV     1  
 
ASSI  {  958} 
   (( resid 41 and name HG1% ))   
   (( resid 41 and name HB ))   
3.700  1.700  1.700  peak   958  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.216   ppm2  2.378   CV     1  
 
ASSI  {  525} 
   (( resid  and name  ))   
   (( resid 42 and name HA ))   
0.000  0.000  6.000  peak   525  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  4.870   CV     1  
 
ASSI  {  988} 
   (( resid 43 and name HE% ))   
   (( resid 43 and name HN ))   
2.400  2.400  3.600  peak   988  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 7.053   ppm2  9.527   CV     1  
 
ASSI  { 1004} 
   (( resid 44 and name HB% ))   
   (( resid 44 and name HN ))   
2.900  1.100  1.100  peak   1004  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.519   ppm2  8.155   CV     1  
 
ASSI  { 1009} 
   (( resid 44 and name HB% ))   
   (( resid 44 and name HA ))   
3.000  1.200  1.200  peak   1009  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.519   ppm2  5.234   CV     1  
 
ASSI  { 1036} 
   (( resid 45 and name HE% ))   
   (( resid 45 and name HB3 ))   
3.400  1.400  1.400  peak   1036  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.153   ppm2  2.950   CV     1  
 
ASSI  { 1042} 
   (( resid 46 and name HA ))   
   (( resid 46 and name HN ))   
2.400  0.700  0.700  peak   1042  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.226   ppm2  7.645   CV     1  
 
ASSI  { 1090} 
   (( resid 48 and name HB% ))   
   (( resid 48 and name HA ))   
3.300  1.400  1.400  peak   1090  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.462   ppm2  3.946   CV     1  
 
ASSI  { 1104} 
   (( resid 51 and name HB ))   
   (( resid 51 and name HN ))   
3.100  1.200  1.200  peak   1104  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.994   ppm2  7.823   CV     1  
 
ASSI  { 1105} 
   (( resid 51 and name HG2% ))   
   (( resid 51 and name HN ))   
3.300  1.400  1.400  peak   1105  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.965   ppm2  7.823   CV     1  
 
ASSI  { 1109} 
   (( resid 51 and name HB ))   
   (( resid 51 and name HA ))   
3.100  1.200  1.200  peak   1109  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.994   ppm2  3.782   CV     1  
 
ASSI  { 1111} 
   (( resid 51 and name HG2% ))   
   (( resid 51 and name HA ))   
3.700  1.700  1.700  peak   1111  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.965   ppm2  3.782   CV     1  
 
ASSI  { 1122} 
   (( resid 51 and name HG2% ))   
   (( resid 51 and name HB ))   
3.900  1.900  1.900  peak   1122  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.965   ppm2  1.994   CV     1  
 
ASSI  {  550} 
   (( resid  and name  ))   
   (( resid 52 and name HN ))   
0.000  0.000  6.000  peak   550  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  8.294   CV     1  
 
ASSI  { 1149} 
   (( resid  and name  ))   
   (( resid 52 and name HA ))   
3.000  1.200  1.200  peak   1149  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  4.467   CV     1  
 
ASSI  { 1167} 
   (( resid 53 and name HB3 ))   
   (( resid 53 and name HA ))   
3.000  1.100  1.100  peak   1167  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.213   ppm2  5.327   CV     1  
 
ASSI  { 1168} 
   (( resid 53 and name HG ))   
   (( resid 53 and name HA ))   
4.500  2.500  1.500  peak   1168  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.192   ppm2  5.327   CV     1  
 
ASSI  { 1184} 
   (( resid 53 and name HG ))   
   (( resid 53 and name HB3 ))   
5.300  3.500  0.700  peak   1184  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.192   ppm2  1.213   CV     1  
 
ASSI  { 1203} 
   (( resid 54 and name HB ))   
   (( resid 54 and name HN ))   
2.300  0.700  0.700  peak   1203  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.140   ppm2  8.557   CV     1  
 
ASSI  { 1205} 
   (( resid 54 and name HG2% ))   
   (( resid 54 and name HN ))   
3.200  1.300  1.300  peak   1205  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.181   ppm2  8.557   CV     1  
 
ASSI  { 1214} 
   (( resid 54 and name HB ))   
   (( resid 54 and name HA ))   
2.600  0.800  0.800  peak   1214  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.140   ppm2  5.445   CV     1  
 
ASSI  { 1216} 
   (( resid 54 and name HG2% ))   
   (( resid 54 and name HA ))   
3.200  1.300  1.300  peak   1216  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.181   ppm2  5.445   CV     1  
 
ASSI  { 1241} 
   (( resid 56 and name HB ))   
   (( resid 56 and name HN ))   
2.600  0.900  0.900  peak   1241  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.837   ppm2  6.766   CV     1  
 
ASSI  { 1243} 
   (( resid 56 and name HG2% ))   
   (( resid 56 and name HN ))   
3.100  1.200  1.200  peak   1243  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.038   ppm2  6.766   CV     1  
 
ASSI  { 1250} 
   (( resid 56 and name HB ))   
   (( resid 56 and name HA ))   
2.600  0.800  0.800  peak   1250  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.837   ppm2  4.778   CV     1  
 
ASSI  { 1256} 
   (( resid 56 and name HG2% ))   
   (( resid 56 and name HB ))   
3.500  1.500  1.500  peak   1256  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.038   ppm2  3.837   CV     1  
 
ASSI  {  564} 
   (( resid 57 and name HB2 ))   
   (( resid 57 and name HN ))   
0.000  0.000  6.000  peak   564  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.453   ppm2  9.142   CV     1  
 
ASSI  { 1270} 
   (( resid 57 and name HN ))   
   (( resid 57 and name HA ))   
2.200  2.200  3.800  peak   1270  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.142   ppm2  5.340   CV     1  
 
ASSI  { 1293} 
   (( resid 58 and name HG2% ))   
   (( resid 58 and name HA ))   
3.200  1.200  1.200  peak   1293  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.247   ppm2  4.670   CV     1  
 
ASSI  { 1297} 
   (( resid 58 and name HG2% ))   
   (( resid 58 and name HB ))   
3.300  1.400  1.400  peak   1297  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.247   ppm2  4.282   CV     1  
 
ASSI  { 1309} 
   (( resid 59 and name HE% ))   
   (( resid 59 and name HA ))   
4.000  2.000  2.000  peak   1309  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.848   ppm2  5.498   CV     1  
 
ASSI  { 1338} 
   (( resid  and name  ))   
   (( resid 60 and name HA ))   
3.500  1.500  1.500  peak   1338  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  4.684   CV     1  
 
ASSI  { 1353} 
   (( resid 62 and name HB3 ))   
   (( resid 62 and name HN ))   
2.900  1.000  1.000  peak   1353  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.191   ppm2  8.810   CV     1  
 
ASSI  { 1369} 
   (( resid 63 and name HG3 ))   
   (( resid 63 and name HN ))   
2.900  2.900  3.100  peak   1369  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.424   ppm2  8.016   CV     1  
 
ASSI  {  587} 
   (( resid 63 and name HE3 ))   
   (( resid 63 and name HA ))   
0.000  0.000  6.000  peak   587  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.974   ppm2  5.185   CV     1  
 
ASSI  { 1402} 
   (( resid 64 and name HA ))   
   (( resid 64 and name HN ))   
2.200  2.200  3.800  peak   1402  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.039   ppm2  8.812   CV     1  
 
ASSI  {  589} 
   (( resid  and name  ))   
   (( resid 64 and name HN ))   
0.000  0.000  6.000  peak   589  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  8.812   CV     1  
 
ASSI  { 1404} 
   (( resid 64 and name HG ))   
   (( resid 64 and name HN ))   
3.400  1.500  1.500  peak   1404  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.905   ppm2  8.812   CV     1  
 
ASSI  { 1437} 
   (( resid 65 and name HB ))   
   (( resid 65 and name HN ))   
2.600  0.900  0.900  peak   1437  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.996   ppm2  9.376   CV     1  
 
ASSI  { 1438} 
   (( resid  and name  ))   
   (( resid 65 and name HN ))   
3.300  1.400  1.400  peak   1438  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  9.376   CV     1  
 
ASSI  { 1442} 
   (( resid 65 and name HB ))   
   (( resid 65 and name HA ))   
3.000  1.100  1.100  peak   1442  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.996   ppm2  4.863   CV     1  
 
ASSI  { 1443} 
   (( resid  and name  ))   
   (( resid 65 and name HA ))   
3.300  1.400  1.400  peak   1443  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  4.863   CV     1  
 
ASSI  { 1513} 
   (( resid 69 and name HA ))   
   (( resid 69 and name HN ))   
2.100  2.100  3.900  peak   1513  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.099   ppm2  9.206   CV     1  
 
ASSI  { 1514} 
   (( resid  and name  ))   
   (( resid 69 and name HN ))   
2.800  1.000  1.000  peak   1514  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  9.206   CV     1  
 
ASSI  { 1575} 
   (( resid 70 and name HA ))   
   (( resid 70 and name HN ))   
2.400  0.700  0.700  peak   1575  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.528   ppm2  8.962   CV     1  
 
ASSI  { 1576} 
   (( resid  and name  ))   
   (( resid 70 and name HA ))   
3.700  1.700  1.700  peak   1576  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  4.528   CV     1  
 
ASSI  { 1580} 
   (( resid  and name  ))   
   (( resid 70 and name HN ))   
3.200  3.200  2.800  peak   1580  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  8.962   CV     1  
 
ASSI  { 1590} 
   (( resid 71 and name HB ))   
   (( resid 71 and name HN ))   
2.800  1.000  1.000  peak   1590  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.993   ppm2  8.277   CV     1  
 
ASSI  { 1603} 
   (( resid 72 and name HB2 ))   
   (( resid 72 and name HN ))   
2.900  1.100  1.100  peak   1603  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.513   ppm2  9.015   CV     1  
 
ASSI  { 1604} 
   (( resid 72 and name HA ))   
   (( resid 72 and name HN ))   
2.400  0.700  0.700  peak   1604  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.311   ppm2  9.015   CV     1  
 
ASSI  { 1612} 
   (( resid 73 and name HA ))   
   (( resid 73 and name HN ))   
2.400  0.700  0.700  peak   1612  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.865   ppm2  8.442   CV     1  
 
ASSI  { 1636} 
   (( resid 75 and name HA ))   
   (( resid 75 and name HN ))   
2.400  0.700  0.700  peak   1636  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.323   ppm2  8.164   CV     1  
 
ASSI  { 1637} 
   (( resid  and name  ))   
   (( resid 75 and name HN ))   
2.800  1.000  1.000  peak   1637  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  8.164   CV     1  
 
ASSI  {  618} 
   (( resid  and name  ))   
   (( resid 75 and name HN ))   
0.000  0.000  6.000  peak   618  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  8.164   CV     1  
 
ASSI  {  619} 
   (( resid  and name  ))   
   (( resid 75 and name HA ))   
0.000  0.000  6.000  peak   619  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  4.323   CV     1  
 
ASSI  { 1641} 
   (( resid 75 and name HE3 ))   
   (( resid 75 and name HA ))   
2.500  2.500  3.500  peak   1641  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.98   ppm2  4.323   CV     1  
 
ASSI  { 1688} 
   (( resid 77 and name HG ))   
   (( resid 77 and name HA ))   
2.900  1.100  1.100  peak   1688  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.622   ppm2  5.116   CV     1  
 
ASSI  { 1700} 
   (( resid 78 and name HB ))   
   (( resid 78 and name HN ))   
2.600  0.800  0.800  peak   1700  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.908   ppm2  8.288   CV     1  
 
ASSI  { 1701} 
   (( resid 78 and name HG2% ))   
   (( resid 78 and name HN ))   
3.800  1.800  1.800  peak   1701  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.928   ppm2  8.288   CV     1  
 
ASSI  { 1709} 
   (( resid 78 and name HN ))   
   (( resid 78 and name HA ))   
2.300  0.600  0.600  peak   1709  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 8.288   ppm2  5.041   CV     1  
 
ASSI  { 1715} 
   (( resid 78 and name HG2% ))   
   (( resid 78 and name HB ))   
3.700  1.700  1.700  peak   1715  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.928   ppm2  1.908   CV     1  
 
ASSI  { 1723} 
   (( resid 79 and name HA ))   
   (( resid 79 and name HN ))   
2.200  0.600  0.600  peak   1723  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.624   ppm2  9.362   CV     1  
 
ASSI  { 1736} 
   (( resid 80 and name HB ))   
   (( resid 80 and name HN ))   
2.600  0.800  0.800  peak   1736  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.193   ppm2  9.079   CV     1  
 
ASSI  { 1737} 
   (( resid  and name  ))   
   (( resid 80 and name HN ))   
2.900  1.100  1.100  peak   1737  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  9.079   CV     1  
 
ASSI  { 1795} 
   (( resid 82 and name HB3 ))   
   (( resid 82 and name HN ))   
2.900  1.100  1.100  peak   1795  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.982   ppm2  8.902   CV     1  
 
ASSI  { 1813} 
   (( resid 83 and name HG2% ))   
   (( resid 83 and name HN ))   
4.000  2.000  2.000  peak   1813  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.852   ppm2  8.595   CV     1  
 
ASSI  { 1831} 
   (( resid 84 and name HB2 ))   
   (( resid 84 and name HN ))   
2.400  0.700  0.700  peak   1831  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.568   ppm2  8.967   CV     1  
 
ASSI  { 1849} 
   (( resid 92 and name HB3 ))   
   (( resid 92 and name HB2 ))   
2.600  0.900  0.900  peak   1849  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.216   ppm2  3.011   CV     1  
 
ASSI  { 1858} 
   (( resid 102 and name HG13 ))   
   (( resid 102 and name HG2% ))   
4.300  2.300  1.700  peak   1858  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.977   ppm2  1.592   CV     1  
 
ASSI  { 1862} 
   (( resid 103 and name HB3 ))   
   (( resid 103 and name HE% ))   
3.300  1.300  1.300  peak   1862  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.216   ppm2  7.011   CV     1  
 
ASSI  { 1899} 
   (( resid 87 and name HA ))   
   (( resid 87 and name HN ))   
2.300  0.600  0.600  peak   1899  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.275   ppm2  8.312   CV     1  
 
ASSI  { 1900} 
   (( resid 87 and name HB2 ))   
   (( resid 87 and name HN ))   
3.100  1.200  1.200  peak   1900  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.008   ppm2  8.312   CV     1  
 
ASSI  {  645} 
   (( resid 87 and name HB3 ))   
   (( resid 87 and name HN ))   
0.000  0.000  6.000  peak   645  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.257   ppm2  8.312   CV     1  
 
ASSI  { 1938} 
   (( resid 88 and name HG ))   
   (( resid 88 and name HA ))   
3.800  1.800  1.800  peak   1938  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.877   ppm2  4.725   CV     1  
 
ASSI  { 1949} 
   (( resid 89 and name HG2% ))   
   (( resid 89 and name HN ))   
3.300  1.400  1.400  peak   1949  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.125   ppm2  9.536   CV     1  
 
ASSI  { 1953} 
   (( resid 89 and name HB ))   
   (( resid 89 and name HA ))   
3.100  1.200  1.200  peak   1953  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.983   ppm2  4.566   CV     1  
 
ASSI  { 1954} 
   (( resid 89 and name HG2% ))   
   (( resid 89 and name HA ))   
3.300  1.400  1.400  peak   1954  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.125   ppm2  4.566   CV     1  
 
ASSI  { 1955} 
   (( resid 89 and name HN ))   
   (( resid 89 and name HA ))   
2.300  0.600  0.600  peak   1955  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.536   ppm2  4.566   CV     1  
 
ASSI  { 1961} 
   (( resid 89 and name HG2% ))   
   (( resid 89 and name HB ))   
3.800  1.800  1.800  peak   1961  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.125   ppm2  1.983   CV     1  
 
ASSI  { 1962} 
   (( resid 89 and name HN ))   
   (( resid 89 and name HB ))   
2.700  0.900  0.900  peak   1962  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 9.536   ppm2  1.983   CV     1  
 
ASSI  { 1970} 
   (( resid  and name  ))   
   (( resid 90 and name HA ))   
3.300  1.400  1.400  peak   1970  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  5.798   CV     1  
 
ASSI  { 1976} 
   (( resid 91 and name HA ))   
   (( resid 91 and name HN ))   
2.200  2.200  3.800  peak   1976  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.347   ppm2  9.407   CV     1  
 
ASSI  { 1978} 
   (( resid 91 and name HB ))   
   (( resid 91 and name HN ))   
2.600  2.600  3.400  peak   1978  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.031   ppm2  9.407   CV     1  
 
ASSI  { 1985} 
   (( resid 91 and name HG2% ))   
   (( resid 91 and name HA ))   
3.200  1.300  1.300  peak   1985  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.142   ppm2  5.347   CV     1  
 
ASSI  { 2002} 
   (( resid 91 and name HG2% ))   
   (( resid 91 and name HB ))   
3.400  1.500  1.500  peak   2002  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.142   ppm2  4.031   CV     1  
 
ASSI  {  663} 
   (( resid 92 and name HB2 ))   
   (( resid 92 and name HN ))   
0.000  0.000  6.000  peak   663  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.011   ppm2  9.004   CV     1  
 
ASSI  { 2024} 
   (( resid 93 and name HA ))   
   (( resid 93 and name HN ))   
2.200  2.200  3.800  peak   2024  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.332   ppm2  9.520   CV     1  
 
ASSI  { 2025} 
   (( resid 93 and name HB ))   
   (( resid 93 and name HN ))   
2.300  0.600  0.600  peak   2025  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.030   ppm2  9.520   CV     1  
 
ASSI  { 2027} 
   (( resid 93 and name HG2% ))   
   (( resid 93 and name HN ))   
3.600  1.600  1.600  peak   2027  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.141   ppm2  9.520   CV     1  
 
ASSI  { 2029} 
   (( resid 93 and name HG2% ))   
   (( resid 93 and name HA ))   
3.400  1.400  1.400  peak   2029  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.141   ppm2  5.332   CV     1  
 
ASSI  { 2042} 
   (( resid 94 and name HA ))   
   (( resid 94 and name HN ))   
2.200  0.600  0.600  peak   2042  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.996   ppm2  8.439   CV     1  
 
ASSI  { 2043} 
   (( resid 94 and name HB2 ))   
   (( resid 94 and name HN ))   
2.700  0.900  0.900  peak   2043  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.049   ppm2  8.439   CV     1  
 
ASSI  { 2057} 
   (( resid 94 and name HE% ))   
   (( resid 94 and name HB2 ))   
3.300  1.300  1.300  peak   2057  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 6.566   ppm2  3.049   CV     1  
 
ASSI  { 2063} 
   (( resid 95 and name HG3 ))   
   (( resid 95 and name HN ))   
2.800  1.000  1.000  peak   2063  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.449   ppm2  9.525   CV     1  
 
ASSI  { 2069} 
   (( resid 95 and name HG3 ))   
   (( resid 95 and name HB2 ))   
3.500  1.600  1.600  peak   2069  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.449   ppm2  1.686   CV     1  
 
ASSI  {  682} 
   (( resid 95 and name HG3 ))   
   (( resid 95 and name HB3 ))   
0.000  0.000  6.000  peak   682  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.449   ppm2  2.015   CV     1  
 
ASSI  { 2077} 
   (( resid 97 and name HA ))   
   (( resid 97 and name HN ))   
2.400  0.700  0.700  peak   2077  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.293   ppm2  7.870   CV     1  
 
ASSI  { 2080} 
   (( resid 97 and name HB ))   
   (( resid 97 and name HN ))   
2.800  1.000  1.000  peak   2080  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.251   ppm2  7.870   CV     1  
 
ASSI  { 2081} 
   (( resid  and name  ))   
   (( resid 97 and name HN ))   
3.000  1.100  1.100  peak   2081  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  7.870   CV     1  
 
ASSI  { 2084} 
   (( resid  and name  ))   
   (( resid 97 and name HA ))   
3.700  1.700  1.700  peak   2084  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  4.293   CV     1  
 
ASSI  { 2088} 
   (( resid  and name  ))   
   (( resid 97 and name HB ))   
3.800  1.800  1.800  peak   2088  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.02   ppm2  2.251   CV     1  
 
ASSI  { 2093} 
   (( resid 98 and name HA ))   
   (( resid 98 and name HN ))   
2.300  0.700  0.700  peak   2093  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.081   ppm2  8.772   CV     1  
 
ASSI  { 2101} 
   (( resid 99 and name HA ))   
   (( resid 99 and name HN ))   
2.300  0.700  0.700  peak   2101  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.854   ppm2  9.242   CV     1  
 
ASSI  { 2102} 
   (( resid 99 and name HB% ))   
   (( resid 99 and name HN ))   
2.900  1.100  1.100  peak   2102  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.524   ppm2  9.242   CV     1  
 
ASSI  { 2104} 
   (( resid 99 and name HB% ))   
   (( resid 99 and name HA ))   
3.200  1.200  1.200  peak   2104  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.524   ppm2  4.854   CV     1  
 
ASSI  { 2106} 
   (( resid 100 and name HA ))   
   (( resid 100 and name HN ))   
2.300  0.700  0.700  peak   2106  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.643   ppm2  8.913   CV     1  
 
ASSI  { 2121} 
   (( resid 101 and name HA ))   
   (( resid 101 and name HN ))   
2.400  0.700  0.700  peak   2121  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.612   ppm2  9.316   CV     1  
 
ASSI  { 2123} 
   (( resid 101 and name HB3 ))   
   (( resid 101 and name HN ))   
2.700  0.900  0.900  peak   2123  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.777   ppm2  9.316   CV     1  
 
ASSI  { 2124} 
   (( resid 101 and name HG2 ))   
   (( resid 101 and name HN ))   
3.000  3.000  3.000  peak   2124  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.544   ppm2  9.316   CV     1  
 
ASSI  {  698} 
   (( resid 101 and name HB3 ))   
   (( resid 101 and name HA ))   
0.000  0.000  6.000  peak   698  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.777   ppm2  4.612   CV     1  
 
ASSI  {  699} 
   (( resid 101 and name HG2 ))   
   (( resid 101 and name HB3 ))   
0.000  0.000  6.000  peak   699  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.544   ppm2  1.777   CV     1  
 
ASSI  {  701} 
   (( resid 101 and name HA ))   
   (( resid 101 and name HG3 ))   
0.000  0.000  6.000  peak   701  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.612   ppm2  1.413   CV     1  
 
ASSI  { 2142} 
   (( resid 101 and name HG2 ))   
   (( resid 101 and name HD2 ))   
3.400  1.500  1.500  peak   2142  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.544   ppm2  2.952   CV     1  
 
ASSI  { 2144} 
   (( resid 102 and name HA ))   
   (( resid 102 and name HN ))   
2.300  0.700  0.700  peak   2144  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.781   ppm2  8.502   CV     1  
 
ASSI  { 2145} 
   (( resid 102 and name HB ))   
   (( resid 102 and name HN ))   
3.100  1.200  1.200  peak   2145  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.829   ppm2  8.502   CV     1  
 
ASSI  { 2148} 
   (( resid 102 and name HB ))   
   (( resid 102 and name HA ))   
2.900  1.000  1.000  peak   2148  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.829   ppm2  4.781   CV     1  
 
ASSI  { 2149} 
   (( resid 102 and name HD1% ))   
   (( resid 102 and name HA ))   
4.200  2.200  1.800  peak   2149  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 0.942   ppm2  4.781   CV     1  
 
ASSI  { 2151} 
   (( resid 102 and name HG2% ))   
   (( resid 102 and name HB ))   
3.700  1.700  1.700  peak   2151  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.592   ppm2  1.829   CV     1  
 
ASSI  { 2152} 
   (( resid 102 and name HG13 ))   
   (( resid 102 and name HB ))   
3.500  1.500  1.500  peak   2152  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.977   ppm2  1.829   CV     1  
 
ASSI  { 2154} 
   (( resid 103 and name HA ))   
   (( resid 103 and name HN ))   
2.300  0.700  0.700  peak   2154  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.580   ppm2  9.725   CV     1  
 
ASSI  { 2155} 
   (( resid 103 and name HB3 ))   
   (( resid 103 and name HN ))   
2.900  1.000  1.000  peak   2155  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.216   ppm2  9.725   CV     1  
 
ASSI  {  711} 
   (( resid 103 and name HB2 ))   
   (( resid 103 and name HN ))   
0.000  0.000  6.000  peak   711  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.534   ppm2  9.725   CV     1  
 
ASSI  { 2159} 
   (( resid 103 and name HB3 ))   
   (( resid 103 and name HA ))   
2.700  0.900  0.900  peak   2159  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 3.216   ppm2  4.580   CV     1  
 
ASSI  { 2166} 
   (( resid 104 and name HA ))   
   (( resid 104 and name HN ))   
2.200  2.200  3.800  peak   2166  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 5.383   ppm2  8.765   CV     1  
 
ASSI  {  718} 
   (( resid 104 and name HB3 ))   
   (( resid 104 and name HN ))   
0.000  0.000  6.000  peak   718  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 2.124   ppm2  8.765   CV     1  
 
ASSI  { 2181} 
   (( resid 105 and name HA ))   
   (( resid 105 and name HN ))   
2.200  0.600  0.600  peak   2181  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 4.012   ppm2  8.686   CV     1  
 
ASSI  { 2182} 
   (( resid 105 and name HB2 ))   
   (( resid 105 and name HN ))   
2.600  0.900  0.900  peak   2182  spectrum  1  weight 0.10000E+1  volume  0.65397E-03   ppm1 1.506   ppm2  8.686   CV     1  
 


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1          1H        ALA   1  11.232 -12.367   6.338
    2   2H    ALA   1          2H        ALA   1  10.705 -11.764   4.847
    3   3H    ALA   1          3H        ALA   1  10.730 -13.438   5.121
    4    HA   ALA   1           HA       ALA   1   8.510 -12.891   5.353
    5   1HB   ALA   1          1HB       ALA   1   8.636 -14.178   7.188
    6   2HB   ALA   1          2HB       ALA   1  10.028 -13.300   7.828
    7   3HB   ALA   1          3HB       ALA   1   8.401 -12.658   8.056
    8    H    PHE   2           H        PHE   2   7.023 -11.308   5.337
    9    HA   PHE   2           HA       PHE   2   8.007  -8.667   5.371
   10   1HB   PHE   2          2HB       PHE   2   5.641 -10.006   4.452
   11    HD1  PHE   2           1HD      PHE   2   6.947 -10.039   2.421
   12    HD2  PHE   2           2HD      PHE   2   6.011  -6.374   4.369
   13    HE1  PHE   2           1HE      PHE   2   7.652  -8.796   0.417
   14    HE2  PHE   2           2HE      PHE   2   6.693  -5.125   2.365
   15    HZ   PHE   2           HZ       PHE   2   7.518  -6.336   0.386
   16    H    ASP   3           H        ASP   3   6.377 -10.478   7.831
   17    HA   ASP   3           HA       ASP   3   5.212  -8.405   9.285
   18   1HB   ASP   3          2HB       ASP   3   5.232  -9.917  11.213
   19    H    GLY   4           H        GLY   4   6.671  -6.717   9.096
   20   1HA   GLY   4          1HA       GLY   4   8.612  -6.423  11.210
   21   2HA   GLY   4          2HA       GLY   4   9.302  -6.579   9.596
   22    H    THR   5           H        THR   5   9.780  -4.252  10.896
   23    HA   THR   5           HA       THR   5   7.784  -2.352   9.882
   24    HB   THR   5           HB       THR   5   9.138  -0.662  11.193
   25    HG1  THR   5           1HG      THR   5  10.795  -1.324  12.417
   26   1HG2  THR   5          1HG2      THR   5   7.767  -2.980  12.518
   27   2HG2  THR   5          2HG2      THR   5   7.158  -1.349  12.232
   28   3HG2  THR   5          3HG2      THR   5   8.397  -1.626  13.455
   29    H    TRP   6           H        TRP   6   8.155  -1.221   8.095
   30    HA   TRP   6           HA       TRP   6  10.922  -0.978   7.088
   31   1HB   TRP   6          2HB       TRP   6   8.481  -1.307   5.318
   32    HD1  TRP   6           HD       TRP   6   8.533  -3.600   7.484
   33    HE1  TRP   6           1HE      TRP   6   8.937  -6.032   6.744
   34    HE3  TRP   6           3HE      TRP   6  10.862  -2.715   3.018
   35    HZ2  TRP   6           2HZ      TRP   6  10.103  -7.392   4.566
   36    HZ3  TRP   6           3HZ      TRP   6  11.572  -4.641   1.661
   37    HH2  TRP   6           HH       TRP   6  11.206  -6.928   2.423
   38    H    LYS   7           H        LYS   7  11.205   1.178   7.634
   39    HA   LYS   7           HA       LYS   7   9.778   3.113   6.125
   40   1HB   LYS   7          2HB       LYS   7   8.084   2.583   7.846
   41   1HG   LYS   7          2HG       LYS   7   7.544   4.784   8.593
   42   1HD   LYS   7          2HD       LYS   7   8.118   6.144   6.467
   43   1HE   LYS   7          2HE       LYS   7   6.594   4.760   5.085
   44   1HZ   LYS   7          1HZ       LYS   7   5.750   6.340   6.793
   45   2HZ   LYS   7          2HZ       LYS   7   5.589   5.035   7.857
   46   3HZ   LYS   7          3HZ       LYS   7   4.686   5.074   6.426
   47    H    VAL   8           H        VAL   8  10.325   5.343   6.838
   48    HA   VAL   8           HA       VAL   8  13.168   5.521   7.501
   49    HB   VAL   8           HB       VAL   8  11.253   7.461   6.170
   50   1HG1  VAL   8          1HG1      VAL   8  12.843   9.073   6.138
   51   2HG1  VAL   8          2HG1      VAL   8  13.437   8.225   7.566
   52   3HG1  VAL   8          3HG1      VAL   8  14.168   7.921   5.990
   53   1HG2  VAL   8          1HG2      VAL   8  12.399   5.247   5.077
   54   2HG2  VAL   8          2HG2      VAL   8  11.900   6.678   4.174
   55   3HG2  VAL   8          3HG2      VAL   8  13.581   6.493   4.674
   56    H    GLY   9           H        GLY   9  13.853   6.844   9.188
   57   1HA   GLY   9          1HA       GLY   9  12.407   6.948  11.487
   58   2HA   GLY   9          2HA       GLY   9  13.751   8.027  11.161
   59    H    GLY  10           H        GLY  10  10.936   8.170  12.448
   60   1HA   GLY  10          1HA       GLY  10   9.879  10.331  12.850
   61   2HA   GLY  10          2HA       GLY  10  10.163  10.713  11.155
   62    H    LEU  11           H        LEU  11   9.463   8.155  10.180
   63    HA   LEU  11           HA       LEU  11   6.541   8.130  10.611
   64   1HB   LEU  11          2HB       LEU  11   7.978   7.023   8.213
   65    HG   LEU  11           HG       LEU  11   8.448   9.407   8.129
   66   1HD1  LEU  11          1HD1      LEU  11   7.889   8.150   6.076
   67   2HD1  LEU  11          2HD1      LEU  11   6.216   8.684   6.244
   68   3HD1  LEU  11          3HD1      LEU  11   7.496   9.867   5.976
   69   1HD2  LEU  11          1HD2      LEU  11   6.912  10.534   9.416
   70   2HD2  LEU  11          2HD2      LEU  11   6.296  10.864   7.796
   71   3HD2  LEU  11          3HD2      LEU  11   5.544   9.615   8.788
   72    H    LYS  12           H        LYS  12   5.644   5.865  10.162
   73    HA   LYS  12           HA       LYS  12   7.529   3.738  10.756
   74   1HB   LYS  12          2HB       LYS  12   6.144   2.794  12.556
   75   1HG   LYS  12          2HG       LYS  12   4.575   5.344  12.304
   76   1HD   LYS  12          2HD       LYS  12   4.453   3.301  14.518
   77   1HE   LYS  12          2HE       LYS  12   3.034   5.930  14.099
   78   1HZ   LYS  12          1HZ       LYS  12   2.898   4.029  16.376
   79   2HZ   LYS  12          2HZ       LYS  12   1.880   5.364  16.157
   80   3HZ   LYS  12          3HZ       LYS  12   3.538   5.597  16.423
   81    H    LEU  13           H        LEU  13   6.850   1.723  10.086
   82    HA   LEU  13           HA       LEU  13   4.249   1.387   8.849
   83   1HB   LEU  13          2HB       LEU  13   6.026   2.482   7.218
   84    HG   LEU  13           HG       LEU  13   3.773   1.573   6.484
   85   1HD1  LEU  13          1HD1      LEU  13   4.280   2.040   4.327
   86   2HD1  LEU  13          2HD1      LEU  13   5.812   2.542   5.043
   87   3HD1  LEU  13          3HD1      LEU  13   5.664   0.949   4.303
   88   1HD2  LEU  13          1HD2      LEU  13   5.127  -0.893   6.788
   89   2HD2  LEU  13          2HD2      LEU  13   3.472  -0.613   6.249
   90   3HD2  LEU  13          3HD2      LEU  13   4.784  -0.683   5.073
   91    H    THR  14           H        THR  14   3.671  -0.742   8.853
   92    HA   THR  14           HA       THR  14   5.659  -2.758   9.557
   93    HB   THR  14           HB       THR  14   3.205  -2.301  11.268
   94    HG1  THR  14           1HG      THR  14   5.648  -1.064  11.297
   95   1HG2  THR  14          1HG2      THR  14   5.666  -4.013  11.665
   96   2HG2  THR  14          2HG2      THR  14   4.048  -4.594  11.270
   97   3HG2  THR  14          3HG2      THR  14   4.352  -3.822  12.826
   98    H    ILE  15           H        ILE  15   5.229  -4.570   8.552
   99    HA   ILE  15           HA       ILE  15   2.511  -5.025   7.522
  100    HB   ILE  15           HB       ILE  15   5.104  -6.233   6.531
  101   1HG1  ILE  15          2HG1      ILE  15   4.328  -4.852   4.412
  102   1HG2  ILE  15          1HG2      ILE  15   3.818  -7.157   4.718
  103   2HG2  ILE  15          2HG2      ILE  15   3.095  -7.656   6.249
  104   3HG2  ILE  15          3HG2      ILE  15   2.354  -6.366   5.302
  105   1HD1  ILE  15          1HD1      ILE  15   6.422  -4.511   5.875
  106   2HD1  ILE  15          2HD1      ILE  15   5.862  -3.191   4.845
  107   3HD1  ILE  15          3HD1      ILE  15   5.510  -3.173   6.574
  108    H    THR  16           H        THR  16   1.602  -7.098   7.838
  109    HA   THR  16           HA       THR  16   3.049  -9.098   9.351
  110    HB   THR  16           HB       THR  16   0.569  -7.819  10.559
  111    HG1  THR  16           1HG      THR  16   3.181  -7.123  10.738
  112   1HG2  THR  16          1HG2      THR  16   0.430  -9.640  11.832
  113   2HG2  THR  16          2HG2      THR  16   2.075  -9.367  12.405
  114   3HG2  THR  16          3HG2      THR  16   1.794 -10.348  10.967
  115    H    GLN  17           H        GLN  17   2.014 -11.150   9.221
  116    HA   GLN  17           HA       GLN  17  -0.481 -11.239   7.705
  117   1HB   GLN  17          2HB       GLN  17   0.509 -12.975   6.184
  118   1HG   GLN  17          2HG       GLN  17   2.640 -13.165   7.727
  119   1HE2  GLN  17          1HE2      GLN  17   2.187 -10.264   6.174
  120   2HE2  GLN  17          2HE2      GLN  17   3.807  -9.671   6.229
  121    H    GLU  18           H        GLU  18  -1.828 -12.650   8.463
  122    HA   GLU  18           HA       GLU  18  -0.897 -14.801  10.216
  123   1HB   GLU  18          2HB       GLU  18  -3.458 -15.098  10.517
  124   1HG   GLU  18          2HG       GLU  18  -3.455 -12.241   9.576
  125    H    GLY  19           H        GLY  19  -0.005 -16.108   8.631
  126   1HA   GLY  19          1HA       GLY  19  -0.100 -17.879   7.113
  127   2HA   GLY  19          2HA       GLY  19  -1.853 -17.700   7.051
  128    H    ASN  20           H        ASN  20  -2.728 -16.655   5.389
  129    HA   ASN  20           HA       ASN  20  -1.006 -14.817   3.875
  130   1HB   ASN  20          2HB       ASN  20  -2.954 -16.832   2.765
  131   1HD2  ASN  20          1HD2      ASN  20  -1.291 -16.009   0.269
  132   2HD2  ASN  20          2HD2      ASN  20   0.125 -16.996   0.425
  133    H    LYS  21           H        LYS  21  -1.686 -13.118   4.934
  134    HA   LYS  21           HA       LYS  21  -4.088 -11.813   4.153
  135   1HB   LYS  21          2HB       LYS  21  -3.772 -12.549   7.094
  136   1HG   LYS  21          2HG       LYS  21  -5.002 -14.187   5.493
  137   1HD   LYS  21          2HD       LYS  21  -6.424 -12.410   4.488
  138   1HE   LYS  21          2HE       LYS  21  -7.608 -12.386   7.255
  139   1HZ   LYS  21          1HZ       LYS  21  -8.967 -12.179   4.850
  140   2HZ   LYS  21          2HZ       LYS  21  -8.830 -10.597   5.446
  141   3HZ   LYS  21          3HZ       LYS  21  -9.545 -11.804   6.400
  142    H    PHE  22           H        PHE  22  -2.845 -10.032   3.581
  143    HA   PHE  22           HA       PHE  22  -0.719  -9.304   5.454
  144   1HB   PHE  22          2HB       PHE  22  -1.110  -8.815   2.517
  145    HD1  PHE  22           1HD      PHE  22   2.194  -8.531   3.117
  146    HD2  PHE  22           2HD      PHE  22  -0.854 -11.497   3.284
  147    HE1  PHE  22           1HE      PHE  22   3.892 -10.285   2.832
  148    HE2  PHE  22           2HE      PHE  22   0.840 -13.257   3.004
  149    HZ   PHE  22           HZ       PHE  22   3.218 -12.655   2.780
  150    H    THR  23           H        THR  23  -0.888  -7.646   6.718
  151    HA   THR  23           HA       THR  23  -2.709  -5.467   5.945
  152    HB   THR  23           HB       THR  23  -3.423  -6.675   8.015
  153    HG1  THR  23           1HG      THR  23  -4.180  -4.776   8.528
  154   1HG2  THR  23          1HG2      THR  23  -0.812  -5.631   9.123
  155   2HG2  THR  23          2HG2      THR  23  -1.258  -7.323   8.903
  156   3HG2  THR  23          3HG2      THR  23  -2.113  -6.333  10.086
  157    H    VAL  24           H        VAL  24  -1.920  -3.422   5.962
  158    HA   VAL  24           HA       VAL  24   0.962  -3.146   6.519
  159    HB   VAL  24           HB       VAL  24  -0.702  -1.769   4.397
  160   1HG1  VAL  24          1HG1      VAL  24   2.206  -1.373   5.103
  161   2HG1  VAL  24          2HG1      VAL  24   1.392  -0.692   3.694
  162   3HG1  VAL  24          3HG1      VAL  24   0.907  -0.198   5.315
  163   1HG2  VAL  24          1HG2      VAL  24   1.653  -3.066   3.431
  164   2HG2  VAL  24          2HG2      VAL  24   0.708  -4.206   4.390
  165   3HG2  VAL  24          3HG2      VAL  24  -0.036  -3.377   3.022
  166    H    LYS  25           H        LYS  25   1.510  -1.711   7.984
  167    HA   LYS  25           HA       LYS  25  -0.531   0.115   9.040
  168   1HB   LYS  25          2HB       LYS  25   0.535  -1.405  10.641
  169   1HG   LYS  25          2HG       LYS  25   1.474   1.435  10.983
  170   1HD   LYS  25          2HD       LYS  25   1.411  -0.850  12.956
  171   1HE   LYS  25          2HE       LYS  25   2.211   2.020  13.398
  172   1HZ   LYS  25          1HZ       LYS  25   2.513   1.400  15.640
  173   2HZ   LYS  25          2HZ       LYS  25   3.334   0.226  14.733
  174   3HZ   LYS  25          3HZ       LYS  25   1.814  -0.127  15.404
  175    H    GLU  26           H        GLU  26  -0.460   2.027   8.002
  176    HA   GLU  26           HA       GLU  26   2.179   3.091   7.273
  177   1HB   GLU  26          2HB       GLU  26   0.832   2.762   5.343
  178   1HG   GLU  26          2HG       GLU  26   0.332   5.004   4.473
  179    H    SER  27           H        SER  27   2.943   4.679   8.431
  180    HA   SER  27           HA       SER  27   1.096   6.771   9.342
  181   1HB   SER  27          2HB       SER  27   3.645   6.101  10.818
  182    HG   SER  27           HG       SER  27   1.593   4.549  10.770
  183    H    SER  28           H        SER  28   1.515   8.494   8.140
  184    HA   SER  28           HA       SER  28   4.234   9.366   7.707
  185   1HB   SER  28          2HB       SER  28   2.432   8.625   5.383
  186    HG   SER  28           HG       SER  28   3.545   6.835   5.717
  187    H    ASN  29           H        ASN  29   4.384  11.524   7.340
  188    HA   ASN  29           HA       ASN  29   3.844  13.711   7.344
  189   1HB   ASN  29          2HB       ASN  29   2.527  13.099   5.294
  190   1HD2  ASN  29          1HD2      ASN  29  -0.161  14.628   6.299
  191   2HD2  ASN  29          2HD2      ASN  29   0.343  16.279   6.103
  192    H    PHE  30           H        PHE  30   0.650  12.308   8.181
  193    HA   PHE  30           HA       PHE  30   0.906  12.818  10.944
  194   1HB   PHE  30          2HB       PHE  30   0.767  15.188  10.024
  195    HD1  PHE  30           1HD      PHE  30  -2.353  15.923  10.916
  196    HD2  PHE  30           2HD      PHE  30   1.083  14.093  12.635
  197    HE1  PHE  30           1HE      PHE  30  -3.147  16.548  13.160
  198    HE2  PHE  30           2HE      PHE  30   0.295  14.712  14.880
  199    HZ   PHE  30           HZ       PHE  30  -1.824  15.938  15.147
  200    H    ARG  31           H        ARG  31   0.075  10.611   9.627
  201    HA   ARG  31           HA       ARG  31  -2.389  10.166  10.894
  202   1HB   ARG  31          2HB       ARG  31  -3.916   9.761   9.128
  203   1HG   ARG  31          2HG       ARG  31  -2.260   8.823   7.481
  204   1HD   ARG  31          2HD       ARG  31  -1.949  11.724   6.753
  205    HE   ARG  31           HE       ARG  31  -1.382  10.908   4.715
  206   1HH1  ARG  31          2HH1      ARG  31  -0.589   8.421   7.075
  207   2HH1  ARG  31          1HH1      ARG  31   0.026   7.325   5.881
  208   1HH2  ARG  31          2HH2      ARG  31  -0.579   9.467   3.169
  209   2HH2  ARG  31          1HH2      ARG  31   0.050   7.920   3.657
  210    H    ASN  32           H        ASN  32  -2.569   8.102  11.426
  211    HA   ASN  32           HA       ASN  32  -0.820   6.164  10.059
  212   1HB   ASN  32          2HB       ASN  32  -0.123   6.307  12.324
  213   1HD2  ASN  32          1HD2      ASN  32  -2.208   4.537  13.956
  214   2HD2  ASN  32          2HD2      ASN  32  -1.729   2.935  13.496
  215    H    ILE  33           H        ILE  33  -1.792   4.614   8.945
  216    HA   ILE  33           HA       ILE  33  -4.520   3.810   9.622
  217    HB   ILE  33           HB       ILE  33  -4.828   5.646   8.065
  218   1HG1  ILE  33          2HG1      ILE  33  -6.034   4.435   6.238
  219   1HG2  ILE  33          1HG2      ILE  33  -3.476   4.248   5.829
  220   2HG2  ILE  33          2HG2      ILE  33  -3.724   5.972   6.109
  221   3HG2  ILE  33          3HG2      ILE  33  -2.470   5.105   6.998
  222   1HD1  ILE  33          1HD1      ILE  33  -6.907   4.665   8.659
  223   2HD1  ILE  33          2HD1      ILE  33  -7.700   3.541   7.553
  224   3HD1  ILE  33          3HD1      ILE  33  -6.564   2.937   8.760
  225    H    ASP  34           H        ASP  34  -4.928   1.704   9.204
  226    HA   ASP  34           HA       ASP  34  -2.745   0.162   7.992
  227   1HB   ASP  34          2HB       ASP  34  -5.003  -0.884   9.704
  228    H    VAL  35           H        VAL  35  -3.103  -1.238   6.341
  229    HA   VAL  35           HA       VAL  35  -5.849  -1.416   5.283
  230    HB   VAL  35           HB       VAL  35  -3.363  -1.143   3.577
  231   1HG1  VAL  35          1HG1      VAL  35  -4.587  -1.945   1.910
  232   2HG1  VAL  35          2HG1      VAL  35  -5.945  -2.182   3.012
  233   3HG1  VAL  35          3HG1      VAL  35  -5.766  -0.654   2.147
  234   1HG2  VAL  35          1HG2      VAL  35  -5.558   0.886   3.650
  235   2HG2  VAL  35          2HG2      VAL  35  -4.268   0.935   4.850
  236   3HG2  VAL  35          3HG2      VAL  35  -3.883   1.064   3.136
  237    H    VAL  36           H        VAL  36  -6.460  -3.487   5.324
  238    HA   VAL  36           HA       VAL  36  -4.371  -5.549   5.170
  239    HB   VAL  36           HB       VAL  36  -5.787  -5.580   7.204
  240   1HG1  VAL  36          1HG1      VAL  36  -7.872  -4.766   6.337
  241   2HG1  VAL  36          2HG1      VAL  36  -8.020  -6.161   5.269
  242   3HG1  VAL  36          3HG1      VAL  36  -8.122  -6.373   7.017
  243   1HG2  VAL  36          1HG2      VAL  36  -6.398  -7.995   7.074
  244   2HG2  VAL  36          2HG2      VAL  36  -6.005  -7.948   5.358
  245   3HG2  VAL  36          3HG2      VAL  36  -4.754  -7.629   6.557
  246    H    PHE  37           H        PHE  37  -4.421  -7.129   3.651
  247    HA   PHE  37           HA       PHE  37  -6.662  -7.328   1.810
  248   1HB   PHE  37          2HB       PHE  37  -5.082  -7.046  -0.153
  249    HD1  PHE  37           1HD      PHE  37  -2.857  -8.010  -0.047
  250    HD2  PHE  37           2HD      PHE  37  -3.812  -4.423   2.031
  251    HE1  PHE  37           1HE      PHE  37  -0.461  -7.558   0.266
  252    HE2  PHE  37           2HE      PHE  37  -1.418  -3.967   2.352
  253    HZ   PHE  37           HZ       PHE  37   0.263  -5.531   1.460
  254    H    GLU  38           H        GLU  38  -6.730  -9.195   0.656
  255    HA   GLU  38           HA       GLU  38  -4.891 -11.307   1.556
  256   1HB   GLU  38          2HB       GLU  38  -7.603 -11.587   0.246
  257   1HG   GLU  38          2HG       GLU  38  -7.026 -11.969   3.160
  258    H    LEU  39           H        LEU  39  -3.885 -12.623   0.019
  259    HA   LEU  39           HA       LEU  39  -3.044 -11.261  -2.269
  260   1HB   LEU  39          2HB       LEU  39  -2.744 -14.148  -1.462
  261    HG   LEU  39           HG       LEU  39  -0.852 -11.805  -1.344
  262   1HD1  LEU  39          1HD1      LEU  39  -0.706 -12.232   0.942
  263   2HD1  LEU  39          2HD1      LEU  39  -2.422 -12.412   0.575
  264   3HD1  LEU  39          3HD1      LEU  39  -1.410 -13.841   0.780
  265   1HD2  LEU  39          1HD2      LEU  39   0.342 -13.616  -2.411
  266   2HD2  LEU  39          2HD2      LEU  39   0.904 -13.420  -0.752
  267   3HD2  LEU  39          3HD2      LEU  39  -0.191 -14.738  -1.161
  268    H    GLY  40           H        GLY  40  -4.202 -10.833  -3.994
  269   1HA   GLY  40          1HA       GLY  40  -5.306 -11.239  -5.977
  270   2HA   GLY  40          2HA       GLY  40  -5.313 -12.952  -5.587
  271    H    VAL  41           H        VAL  41  -6.628 -10.337  -3.601
  272    HA   VAL  41           HA       VAL  41  -9.320 -11.392  -4.160
  273    HB   VAL  41           HB       VAL  41  -8.243 -10.552  -1.461
  274   1HG1  VAL  41          1HG1      VAL  41 -10.535  -9.858  -1.614
  275   2HG1  VAL  41          2HG1      VAL  41 -11.010 -11.419  -2.288
  276   3HG1  VAL  41          3HG1      VAL  41 -10.458 -11.312  -0.615
  277   1HG2  VAL  41          1HG2      VAL  41  -9.021 -13.003  -0.991
  278   2HG2  VAL  41          2HG2      VAL  41  -8.813 -13.191  -2.732
  279   3HG2  VAL  41          3HG2      VAL  41  -7.449 -12.698  -1.730
  280    H    ASP  42           H        ASP  42 -10.992  -9.913  -4.205
  281    HA   ASP  42           HA       ASP  42 -10.150  -7.118  -4.526
  282   1HB   ASP  42          2HB       ASP  42 -12.154  -6.817  -5.867
  283    H    PHE  43           H        PHE  43 -11.017  -5.493  -3.366
  284    HA   PHE  43           HA       PHE  43 -13.213  -5.959  -1.531
  285   1HB   PHE  43          2HB       PHE  43 -11.795  -5.407   0.458
  286    HD1  PHE  43           1HD      PHE  43  -9.356  -7.224  -1.602
  287    HD2  PHE  43           2HD      PHE  43 -10.207  -3.637   0.520
  288    HE1  PHE  43           1HE      PHE  43  -6.995  -6.566  -1.780
  289    HE2  PHE  43           2HE      PHE  43  -7.847  -2.970   0.341
  290    HZ   PHE  43           HZ       PHE  43  -6.238  -4.434  -0.812
  291    H    ALA  44           H        ALA  44 -13.994  -4.096  -0.544
  292    HA   ALA  44           HA       ALA  44 -13.006  -1.572  -1.708
  293   1HB   ALA  44          1HB       ALA  44 -15.746  -2.625  -1.261
  294   2HB   ALA  44          2HB       ALA  44 -15.483  -0.895  -1.041
  295   3HB   ALA  44          3HB       ALA  44 -15.109  -1.654  -2.589
  296    H    TYR  45           H        TYR  45 -12.694   0.153  -0.340
  297    HA   TYR  45           HA       TYR  45 -13.418  -0.037   2.459
  298   1HB   TYR  45          2HB       TYR  45 -11.107   0.049   3.274
  299    HD1  TYR  45           1HD      TYR  45  -9.760   1.888   2.304
  300    HD2  TYR  45           2HD      TYR  45 -10.201  -1.838   0.309
  301    HE1  TYR  45           1HE      TYR  45  -7.859   2.448   0.861
  302    HE2  TYR  45           2HE      TYR  45  -8.292  -1.293  -1.139
  303    HH   TYR  45           HH       TYR  45  -7.152   0.789  -1.968
  304    H    SER  46           H        SER  46 -13.147   1.891   3.589
  305    HA   SER  46           HA       SER  46 -12.528   4.227   1.914
  306   1HB   SER  46          2HB       SER  46 -14.780   4.376   2.761
  307    HG   SER  46           HG       SER  46 -13.515   5.946   4.685
  308    H    LEU  47           H        LEU  47 -10.719   5.299   2.365
  309    HA   LEU  47           HA       LEU  47  -9.378   4.721   4.911
  310   1HB   LEU  47          2HB       LEU  47  -8.291   5.673   2.280
  311    HG   LEU  47           HG       LEU  47  -8.386   3.271   2.394
  312   1HD1  LEU  47          1HD1      LEU  47  -5.856   2.809   2.434
  313   2HD1  LEU  47          2HD1      LEU  47  -6.478   3.964   1.253
  314   3HD1  LEU  47          3HD1      LEU  47  -5.693   4.542   2.724
  315   1HD2  LEU  47          1HD2      LEU  47  -8.173   2.122   4.275
  316   2HD2  LEU  47          2HD2      LEU  47  -6.549   2.760   4.529
  317   3HD2  LEU  47          3HD2      LEU  47  -7.949   3.646   5.137
  318    H    ALA  48           H        ALA  48  -9.366   6.227   6.401
  319    HA   ALA  48           HA       ALA  48  -9.590   8.206   7.488
  320   1HB   ALA  48          1HB       ALA  48  -8.657   9.805   5.179
  321   2HB   ALA  48          2HB       ALA  48  -8.125   9.818   6.862
  322   3HB   ALA  48          3HB       ALA  48  -7.573   8.547   5.773
  323    H    ASP  49           H        ASP  49 -11.852   7.260   6.036
  324    HA   ASP  49           HA       ASP  49 -13.914   7.866   5.292
  325   1HB   ASP  49          2HB       ASP  49 -13.767   8.858   7.630
  326    H    GLY  50           H        GLY  50 -12.198   8.304   3.288
  327   1HA   GLY  50          1HA       GLY  50 -13.375  10.599   1.958
  328   2HA   GLY  50          2HA       GLY  50 -11.646  10.709   2.240
  329    H    THR  51           H        THR  51 -10.604   8.351   1.635
  330    HA   THR  51           HA       THR  51 -11.248   8.103  -1.199
  331    HB   THR  51           HB       THR  51  -9.198   6.812  -1.406
  332    HG1  THR  51           1HG      THR  51  -9.327   5.761   0.652
  333   1HG2  THR  51          1HG2      THR  51  -7.640   8.519  -1.022
  334   2HG2  THR  51          2HG2      THR  51  -8.501   9.108   0.400
  335   3HG2  THR  51          3HG2      THR  51  -9.172   9.372  -1.212
  336    H    GLU  52           H        GLU  52 -12.722   6.619  -1.789
  337    HA   GLU  52           HA       GLU  52 -12.925   4.193  -0.143
  338   1HB   GLU  52          2HB       GLU  52 -15.029   5.424  -1.938
  339   1HG   GLU  52          2HG       GLU  52 -14.935   5.306   1.070
  340    H    LEU  53           H        LEU  53 -11.430   2.975  -1.168
  341    HA   LEU  53           HA       LEU  53 -11.594   2.819  -4.083
  342   1HB   LEU  53          2HB       LEU  53  -9.440   2.120  -2.107
  343    HG   LEU  53           HG       LEU  53  -9.464   3.953  -4.507
  344   1HD1  LEU  53          1HD1      LEU  53  -8.815   4.491  -1.617
  345   2HD1  LEU  53          2HD1      LEU  53  -8.884   5.669  -2.926
  346   3HD1  LEU  53          3HD1      LEU  53 -10.356   4.859  -2.389
  347   1HD2  LEU  53          1HD2      LEU  53  -7.163   2.904  -2.880
  348   2HD2  LEU  53          2HD2      LEU  53  -7.393   2.817  -4.626
  349   3HD2  LEU  53          3HD2      LEU  53  -7.067   4.370  -3.857
  350    H    THR  54           H        THR  54 -12.461   1.131  -5.054
  351    HA   THR  54           HA       THR  54 -12.694  -1.430  -3.605
  352    HB   THR  54           HB       THR  54 -14.154  -0.656  -6.137
  353    HG1  THR  54           1HG      THR  54 -14.572   0.406  -3.785
  354   1HG2  THR  54          1HG2      THR  54 -15.646  -2.498  -5.518
  355   2HG2  THR  54          2HG2      THR  54 -14.655  -2.822  -4.096
  356   3HG2  THR  54          3HG2      THR  54 -13.983  -3.054  -5.711
  357    H    GLY  55           H        GLY  55 -11.123  -2.865  -4.183
  358   1HA   GLY  55          1HA       GLY  55 -10.542  -3.295  -6.962
  359   2HA   GLY  55          2HA       GLY  55  -9.254  -2.444  -6.135
  360    H    THR  56           H        THR  56  -8.767  -4.801  -7.344
  361    HA   THR  56           HA       THR  56  -8.561  -6.742  -5.150
  362    HB   THR  56           HB       THR  56  -9.608  -7.657  -7.165
  363    HG1  THR  56           1HG      THR  56  -8.584  -9.449  -6.740
  364   1HG2  THR  56          1HG2      THR  56  -8.702  -7.624  -9.286
  365   2HG2  THR  56          2HG2      THR  56  -7.061  -7.370  -8.694
  366   3HG2  THR  56          3HG2      THR  56  -8.221  -6.042  -8.673
  367    H    TRP  57           H        TRP  57  -6.604  -7.395  -4.420
  368    HA   TRP  57           HA       TRP  57  -4.235  -6.053  -5.565
  369   1HB   TRP  57          2HB       TRP  57  -4.925  -5.247  -3.288
  370    HD1  TRP  57           HD       TRP  57  -2.055  -7.794  -2.796
  371    HE1  TRP  57           1HE      TRP  57   0.127  -6.471  -2.481
  372    HE3  TRP  57           3HE      TRP  57  -3.839  -3.073  -3.601
  373    HZ2  TRP  57           2HZ      TRP  57   0.980  -3.784  -2.549
  374    HZ3  TRP  57           3HZ      TRP  57  -2.277  -1.182  -3.451
  375    HH2  TRP  57           HH       TRP  57   0.084  -1.529  -2.935
  376    H    THR  58           H        THR  58  -2.678  -7.394  -6.311
  377    HA   THR  58           HA       THR  58  -2.769 -10.200  -5.400
  378    HB   THR  58           HB       THR  58  -1.792 -10.874  -7.524
  379    HG1  THR  58           1HG      THR  58  -0.795  -8.637  -7.774
  380   1HG2  THR  58          1HG2      THR  58  -3.796  -9.508  -8.921
  381   2HG2  THR  58          2HG2      THR  58  -4.392  -9.654  -7.268
  382   3HG2  THR  58          3HG2      THR  58  -3.915 -11.097  -8.162
  383    H    MET  59           H        MET  59  -0.937 -11.059  -4.591
  384    HA   MET  59           HA       MET  59   1.484  -9.389  -4.730
  385   1HB   MET  59          2HB       MET  59   0.655  -9.411  -2.435
  386   1HG   MET  59          2HG       MET  59   3.054 -11.208  -2.780
  387   1HE   MET  59          1HE       MET  59   4.741 -10.857   0.602
  388   2HE   MET  59          2HE       MET  59   4.939 -10.976  -1.147
  389   3HE   MET  59          3HE       MET  59   4.815  -9.393  -0.380
  390    H    GLU  60           H        GLU  60   3.029 -10.179  -5.687
  391    HA   GLU  60           HA       GLU  60   3.407 -13.092  -5.853
  392   1HB   GLU  60          2HB       GLU  60   3.584 -11.230  -7.891
  393   1HG   GLU  60          2HG       GLU  60   3.543 -13.677  -8.210
  394    H    GLY  61           H        GLY  61   5.505 -13.782  -5.201
  395   1HA   GLY  61          1HA       GLY  61   6.251 -13.261  -2.736
  396   2HA   GLY  61          2HA       GLY  61   7.451 -13.752  -3.914
  397    H    ASN  62           H        ASN  62   7.411 -11.297  -5.426
  398    HA   ASN  62           HA       ASN  62   8.204  -9.300  -3.461
  399   1HB   ASN  62          2HB       ASN  62   9.979 -10.311  -5.686
  400   1HD2  ASN  62          1HD2      ASN  62  10.965 -12.012  -4.884
  401   2HD2  ASN  62          2HD2      ASN  62  11.603 -12.155  -3.281
  402    H    LYS  63           H        LYS  63   5.890  -9.494  -5.066
  403    HA   LYS  63           HA       LYS  63   6.158  -7.012  -6.583
  404   1HB   LYS  63          2HB       LYS  63   5.013  -9.564  -7.730
  405   1HG   LYS  63          2HG       LYS  63   7.481  -9.142  -8.027
  406   1HD   LYS  63          2HD       LYS  63   7.321  -6.694  -8.345
  407   1HE   LYS  63          2HE       LYS  63   6.152  -7.455 -11.018
  408   1HZ   LYS  63          1HZ       LYS  63   6.588  -5.402 -11.740
  409   2HZ   LYS  63          2HZ       LYS  63   7.777  -5.363 -10.531
  410   3HZ   LYS  63          3HZ       LYS  63   6.253  -4.679 -10.243
  411    H    LEU  64           H        LEU  64   4.620  -5.688  -5.969
  412    HA   LEU  64           HA       LEU  64   2.058  -6.762  -4.976
  413   1HB   LEU  64          2HB       LEU  64   3.485  -4.165  -4.348
  414    HG   LEU  64           HG       LEU  64   4.394  -6.150  -3.122
  415   1HD1  LEU  64          1HD1      LEU  64   3.203  -4.739  -0.905
  416   2HD1  LEU  64          2HD1      LEU  64   4.867  -4.724  -1.488
  417   3HD1  LEU  64          3HD1      LEU  64   3.680  -3.621  -2.183
  418   1HD2  LEU  64          1HD2      LEU  64   2.851  -7.681  -2.568
  419   2HD2  LEU  64          2HD2      LEU  64   2.586  -6.656  -1.157
  420   3HD2  LEU  64          3HD2      LEU  64   1.533  -6.507  -2.566
  421    H    VAL  65           H        VAL  65   0.548  -6.568  -6.504
  422    HA   VAL  65           HA       VAL  65   0.426  -4.093  -8.090
  423    HB   VAL  65           HB       VAL  65   0.205  -6.882  -9.263
  424   1HG1  VAL  65          1HG1      VAL  65  -0.340  -4.161 -10.331
  425   2HG1  VAL  65          2HG1      VAL  65   0.353  -5.366 -11.417
  426   3HG1  VAL  65          3HG1      VAL  65  -1.189  -5.679 -10.617
  427   1HG2  VAL  65          1HG2      VAL  65   2.312  -4.840  -9.916
  428   2HG2  VAL  65          2HG2      VAL  65   2.538  -6.067  -8.668
  429   3HG2  VAL  65          3HG2      VAL  65   2.271  -6.550 -10.344
  430    H    GLY  66           H        GLY  66  -1.640  -3.379  -8.480
  431   1HA   GLY  66          1HA       GLY  66  -3.865  -5.201  -8.328
  432   2HA   GLY  66          2HA       GLY  66  -3.796  -4.071  -6.982
  433    H    LYS  67           H        LYS  67  -5.823  -3.281  -7.733
  434    HA   LYS  67           HA       LYS  67  -5.551  -0.952  -9.358
  435   1HB   LYS  67          2HB       LYS  67  -5.835  -2.641 -11.148
  436   1HG   LYS  67          2HG       LYS  67  -8.190  -0.829 -10.700
  437   1HD   LYS  67          2HD       LYS  67  -7.481  -2.416 -13.164
  438   1HE   LYS  67          2HE       LYS  67  -9.693  -1.427 -13.951
  439   1HZ   LYS  67          1HZ       LYS  67  -7.093  -0.319 -14.018
  440   2HZ   LYS  67          2HZ       LYS  67  -8.242   0.933 -14.002
  441   3HZ   LYS  67          3HZ       LYS  67  -8.310  -0.265 -15.197
  442    H    PHE  68           H        PHE  68  -6.836   0.499  -8.360
  443    HA   PHE  68           HA       PHE  68  -9.244  -0.516  -7.015
  444   1HB   PHE  68          2HB       PHE  68  -7.170   1.357  -5.860
  445    HD1  PHE  68           1HD      PHE  68  -5.642  -0.684  -6.182
  446    HD2  PHE  68           2HD      PHE  68  -9.050  -0.659  -3.641
  447    HE1  PHE  68           1HE      PHE  68  -4.738  -2.619  -4.966
  448    HE2  PHE  68           2HE      PHE  68  -8.153  -2.594  -2.416
  449    HZ   PHE  68           HZ       PHE  68  -5.997  -3.579  -3.079
  450    H    LYS  69           H        LYS  69 -10.973   0.831  -6.904
  451    HA   LYS  69           HA       LYS  69 -10.837   3.189  -8.658
  452   1HB   LYS  69          2HB       LYS  69 -12.264   1.309  -9.411
  453   1HG   LYS  69          2HG       LYS  69 -13.995   3.606  -8.537
  454   1HD   LYS  69          2HD       LYS  69 -14.227   1.472 -10.639
  455   1HE   LYS  69          2HE       LYS  69 -15.733   4.080 -10.488
  456   1HZ   LYS  69          1HZ       LYS  69 -16.384   1.556 -11.706
  457   2HZ   LYS  69          2HZ       LYS  69 -16.387   2.844 -12.809
  458   3HZ   LYS  69          3HZ       LYS  69 -17.365   2.915 -11.427
  459    H    ARG  70           H        ARG  70 -11.117   5.126  -7.729
  460    HA   ARG  70           HA       ARG  70 -12.625   5.257  -5.193
  461   1HB   ARG  70          2HB       ARG  70 -10.164   5.822  -4.969
  462   1HG   ARG  70          2HG       ARG  70 -12.421   7.487  -4.135
  463   1HD   ARG  70          2HD       ARG  70  -9.632   8.608  -3.924
  464    HE   ARG  70           HE       ARG  70 -11.976   9.182  -2.437
  465   1HH1  ARG  70          2HH1      ARG  70  -9.217  10.718  -3.952
  466   2HH1  ARG  70          1HH1      ARG  70  -9.385  12.199  -3.053
  467   1HH2  ARG  70          2HH2      ARG  70 -12.160  11.101  -1.205
  468   2HH2  ARG  70          1HH2      ARG  70 -11.044  12.402  -1.477
  469    H    VAL  71           H        VAL  71 -14.586   5.842  -5.945
  470    HA   VAL  71           HA       VAL  71 -15.056   7.387  -8.216
  471    HB   VAL  71           HB       VAL  71 -17.383   7.645  -7.348
  472   1HG1  VAL  71          1HG1      VAL  71 -16.832   5.746  -8.704
  473   2HG1  VAL  71          2HG1      VAL  71 -16.152   4.898  -7.315
  474   3HG1  VAL  71          3HG1      VAL  71 -17.885   5.212  -7.393
  475   1HG2  VAL  71          1HG2      VAL  71 -17.261   5.766  -5.219
  476   2HG2  VAL  71          2HG2      VAL  71 -16.137   7.079  -4.865
  477   3HG2  VAL  71          3HG2      VAL  71 -17.837   7.432  -5.185
  478    H    ASP  72           H        ASP  72 -14.610   8.377  -4.869
  479    HA   ASP  72           HA       ASP  72 -15.592  11.033  -5.311
  480   1HB   ASP  72          2HB       ASP  72 -15.502   9.700  -3.106
  481    H    ASN  73           H        ASN  73 -13.596  10.485  -7.218
  482    HA   ASN  73           HA       ASN  73 -12.099  12.855  -6.960
  483   1HB   ASN  73          2HB       ASN  73 -10.796  11.391  -5.382
  484   1HD2  ASN  73          1HD2      ASN  73  -8.312  10.750  -7.176
  485   2HD2  ASN  73          2HD2      ASN  73  -7.569  12.313  -7.327
  486    H    GLY  74           H        GLY  74 -11.481   9.647  -8.425
  487   1HA   GLY  74          1HA       GLY  74 -12.188  10.604 -11.034
  488   2HA   GLY  74          2HA       GLY  74 -10.446  10.496 -10.822
  489    H    LYS  75           H        LYS  75 -12.771   8.416  -9.342
  490    HA   LYS  75           HA       LYS  75 -13.006   6.165  -9.272
  491   1HB   LYS  75          2HB       LYS  75 -13.959   5.283 -11.320
  492   1HG   LYS  75          2HG       LYS  75 -12.956   7.789 -12.650
  493   1HD   LYS  75          2HD       LYS  75 -14.733   5.601 -13.721
  494   1HE   LYS  75          2HE       LYS  75 -14.898   7.086 -15.693
  495   1HZ   LYS  75          1HZ       LYS  75 -12.048   6.738 -15.626
  496   2HZ   LYS  75          2HZ       LYS  75 -13.206   6.028 -16.642
  497   3HZ   LYS  75          3HZ       LYS  75 -12.892   5.356 -15.122
  498    H    GLU  76           H        GLU  76 -10.060   6.897  -9.814
  499    HA   GLU  76           HA       GLU  76  -9.247   4.180 -10.066
  500   1HB   GLU  76          2HB       GLU  76  -8.845   5.999 -12.406
  501   1HG   GLU  76          2HG       GLU  76  -9.417   3.067 -12.102
  502    H    LEU  77           H        LEU  77  -8.025   4.230  -8.350
  503    HA   LEU  77           HA       LEU  77  -5.553   5.738  -8.518
  504   1HB   LEU  77          2HB       LEU  77  -6.819   6.993  -6.877
  505    HG   LEU  77           HG       LEU  77  -4.841   5.208  -5.448
  506   1HD1  LEU  77          1HD1      LEU  77  -4.354   8.013  -6.367
  507   2HD1  LEU  77          2HD1      LEU  77  -3.191   6.754  -5.956
  508   3HD1  LEU  77          3HD1      LEU  77  -4.113   6.648  -7.457
  509   1HD2  LEU  77          1HD2      LEU  77  -6.104   7.816  -4.624
  510   2HD2  LEU  77          2HD2      LEU  77  -6.268   6.252  -3.826
  511   3HD2  LEU  77          3HD2      LEU  77  -4.712   7.081  -3.829
  512    H    ILE  78           H        ILE  78  -3.991   4.287  -8.592
  513    HA   ILE  78           HA       ILE  78  -4.476   1.639  -7.383
  514    HB   ILE  78           HB       ILE  78  -2.980   2.324  -9.916
  515   1HG1  ILE  78          2HG1      ILE  78  -5.629   0.906  -9.544
  516   1HG2  ILE  78          1HG2      ILE  78  -2.082   0.300  -9.858
  517   2HG2  ILE  78          2HG2      ILE  78  -2.759   0.078  -8.245
  518   3HG2  ILE  78          3HG2      ILE  78  -3.672  -0.438  -9.665
  519   1HD1  ILE  78          1HD1      ILE  78  -5.726   0.496 -11.744
  520   2HD1  ILE  78          2HD1      ILE  78  -4.847   1.964 -12.169
  521   3HD1  ILE  78          3HD1      ILE  78  -3.968   0.537 -11.618
  522    H    ALA  79           H        ALA  79  -2.843   0.645  -6.274
  523    HA   ALA  79           HA       ALA  79  -0.303   2.125  -6.041
  524   1HB   ALA  79          1HB       ALA  79  -1.662   0.348  -4.013
  525   2HB   ALA  79          2HB       ALA  79  -0.019   0.973  -3.851
  526   3HB   ALA  79          3HB       ALA  79  -1.387   2.087  -3.899
  527    H    VAL  80           H        VAL  80   1.414   1.121  -6.856
  528    HA   VAL  80           HA       VAL  80   1.459  -1.806  -7.072
  529    HB   VAL  80           HB       VAL  80   2.029   0.073  -9.381
  530   1HG1  VAL  80          1HG1      VAL  80   2.156  -2.926  -9.477
  531   2HG1  VAL  80          2HG1      VAL  80   2.739  -1.761 -10.665
  532   3HG1  VAL  80          3HG1      VAL  80   3.569  -1.934  -9.119
  533   1HG2  VAL  80          1HG2      VAL  80   0.183  -2.074  -9.924
  534   2HG2  VAL  80          2HG2      VAL  80  -0.379  -1.077  -8.581
  535   3HG2  VAL  80          3HG2      VAL  80  -0.018  -0.334 -10.138
  536    H    ARG  81           H        ARG  81   3.424  -2.644  -6.544
  537    HA   ARG  81           HA       ARG  81   5.848  -1.242  -7.030
  538   1HB   ARG  81          2HB       ARG  81   5.111   0.045  -5.096
  539   1HG   ARG  81          2HG       ARG  81   7.004  -0.350  -3.571
  540   1HD   ARG  81          2HD       ARG  81   7.388  -0.254  -6.529
  541    HE   ARG  81           HE       ARG  81   9.433  -1.102  -4.807
  542   1HH1  ARG  81          2HH1      ARG  81   8.897   1.290  -7.321
  543   2HH1  ARG  81          1HH1      ARG  81  10.577   1.354  -7.772
  544   1HH2  ARG  81          2HH2      ARG  81  11.631  -1.031  -5.437
  545   2HH2  ARG  81          1HH2      ARG  81  12.120   0.050  -6.702
  546    H    GLU  82           H        GLU  82   7.656  -2.466  -6.791
  547    HA   GLU  82           HA       GLU  82   7.277  -5.247  -5.919
  548   1HB   GLU  82          2HB       GLU  82   9.570  -5.471  -7.178
  549   1HG   GLU  82          2HG       GLU  82   8.373  -3.081  -8.551
  550    H    ILE  83           H        ILE  83   9.206  -6.186  -4.786
  551    HA   ILE  83           HA       ILE  83  10.242  -4.177  -2.880
  552    HB   ILE  83           HB       ILE  83  10.429  -7.179  -2.577
  553   1HG1  ILE  83          2HG1      ILE  83   8.077  -6.786  -2.843
  554   1HG2  ILE  83          1HG2      ILE  83  10.634  -4.840  -0.710
  555   2HG2  ILE  83          2HG2      ILE  83  10.385  -6.489  -0.132
  556   3HG2  ILE  83          3HG2      ILE  83  11.833  -6.088  -1.056
  557   1HD1  ILE  83          1HD1      ILE  83   8.580  -4.334  -1.317
  558   2HD1  ILE  83          2HD1      ILE  83   7.376  -4.681  -2.560
  559   3HD1  ILE  83          3HD1      ILE  83   7.109  -5.213  -0.902
  560    H    SER  84           H        SER  84  12.330  -3.582  -3.137
  561    HA   SER  84           HA       SER  84  14.149  -5.421  -4.542
  562   1HB   SER  84          2HB       SER  84  15.400  -3.046  -4.768
  563    HG   SER  84           HG       SER  84  14.061  -1.554  -4.077
  564    H    GLY  85           H        GLY  85  15.690  -6.329  -3.318
  565   1HA   GLY  85          1HA       GLY  85  17.116  -6.722  -1.552
  566   2HA   GLY  85          2HA       GLY  85  17.330  -4.977  -1.466
  567    H    ASN  86           H        ASN  86  17.043  -4.382   0.595
  568    HA   ASN  86           HA       ASN  86  14.509  -5.251   1.820
  569   1HB   ASN  86          2HB       ASN  86  17.108  -4.520   3.179
  570   1HD2  ASN  86          1HD2      ASN  86  18.222  -6.315   3.341
  571   2HD2  ASN  86          2HD2      ASN  86  17.584  -7.897   3.648
  572    H    GLU  87           H        GLU  87  13.315  -3.701   0.913
  573    HA   GLU  87           HA       GLU  87  13.194  -1.221   2.223
  574   1HB   GLU  87          2HB       GLU  87  13.684   0.338   0.499
  575   1HG   GLU  87          2HG       GLU  87  14.147  -1.963  -1.383
  576    H    LEU  88           H        LEU  88  11.364   0.088   1.268
  577    HA   LEU  88           HA       LEU  88   9.718  -1.422  -0.561
  578   1HB   LEU  88          2HB       LEU  88   8.772  -2.104   1.570
  579    HG   LEU  88           HG       LEU  88   7.105  -0.091   0.084
  580   1HD1  LEU  88          1HD1      LEU  88   7.635  -2.055  -1.176
  581   2HD1  LEU  88          2HD1      LEU  88   7.099  -3.091   0.149
  582   3HD1  LEU  88          3HD1      LEU  88   5.933  -2.086  -0.713
  583   1HD2  LEU  88          1HD2      LEU  88   5.273  -1.571   1.381
  584   2HD2  LEU  88          2HD2      LEU  88   6.532  -1.475   2.613
  585   3HD2  LEU  88          3HD2      LEU  88   5.841   0.003   1.940
  586    H    ILE  89           H        ILE  89   8.969  -0.137  -2.043
  587    HA   ILE  89           HA       ILE  89   8.888   2.757  -1.551
  588    HB   ILE  89           HB       ILE  89   8.913   1.363  -4.240
  589   1HG1  ILE  89          2HG1      ILE  89  11.020   0.883  -3.141
  590   1HG2  ILE  89          1HG2      ILE  89   8.799   4.177  -3.355
  591   2HG2  ILE  89          2HG2      ILE  89   9.868   3.829  -4.714
  592   3HG2  ILE  89          3HG2      ILE  89   8.157   3.413  -4.809
  593   1HD1  ILE  89          1HD1      ILE  89  12.581   2.681  -2.516
  594   2HD1  ILE  89          2HD1      ILE  89  11.266   3.841  -2.678
  595   3HD1  ILE  89          3HD1      ILE  89  11.178   2.573  -1.455
  596    H    GLN  90           H        GLN  90   6.924   3.795  -2.605
  597    HA   GLN  90           HA       GLN  90   4.712   1.904  -2.943
  598   1HB   GLN  90          2HB       GLN  90   4.876   2.640  -0.543
  599   1HG   GLN  90          2HG       GLN  90   2.540   3.272  -0.245
  600   1HE2  GLN  90          1HE2      GLN  90   2.309   1.272   0.535
  601   2HE2  GLN  90          2HE2      GLN  90   2.044  -0.135  -0.443
  602    H    THR  91           H        THR  91   3.816   2.396  -4.834
  603    HA   THR  91           HA       THR  91   3.912   5.183  -5.765
  604    HB   THR  91           HB       THR  91   3.163   3.034  -7.659
  605    HG1  THR  91           1HG      THR  91   4.840   1.870  -7.035
  606   1HG2  THR  91          1HG2      THR  91   3.749   5.635  -7.941
  607   2HG2  THR  91          2HG2      THR  91   4.029   4.445  -9.212
  608   3HG2  THR  91          3HG2      THR  91   5.358   4.953  -8.171
  609    H    TYR  92           H        TYR  92   2.092   6.281  -5.881
  610    HA   TYR  92           HA       TYR  92  -0.451   4.810  -6.040
  611   1HB   TYR  92          2HB       TYR  92  -0.014   7.699  -5.231
  612    HD1  TYR  92           1HD      TYR  92   1.770   6.713  -3.610
  613    HD2  TYR  92           2HD      TYR  92  -2.391   5.849  -3.374
  614    HE1  TYR  92           1HE      TYR  92   2.050   6.047  -1.262
  615    HE2  TYR  92           2HE      TYR  92  -2.121   5.180  -1.021
  616    HH   TYR  92           HH       TYR  92   1.087   5.112   0.514
  617    H    THR  93           H        THR  93  -1.008   4.590  -8.092
  618    HA   THR  93           HA       THR  93  -0.362   6.730  -9.999
  619    HB   THR  93           HB       THR  93  -1.332   3.926 -10.602
  620    HG1  THR  93           1HG      THR  93   0.915   4.435  -9.557
  621   1HG2  THR  93          1HG2      THR  93  -1.184   6.183 -12.218
  622   2HG2  THR  93          2HG2      THR  93  -1.318   4.510 -12.759
  623   3HG2  THR  93          3HG2      THR  93   0.269   5.266 -12.612
  624    H    TYR  94           H        TYR  94  -1.929   8.132 -10.369
  625    HA   TYR  94           HA       TYR  94  -4.714   7.175 -10.342
  626   1HB   TYR  94          2HB       TYR  94  -4.500   8.621  -8.466
  627    HD1  TYR  94           1HD      TYR  94  -6.968   8.234  -9.399
  628    HD2  TYR  94           2HD      TYR  94  -4.555  11.669 -10.172
  629    HE1  TYR  94           1HE      TYR  94  -8.981   9.537  -9.973
  630    HE2  TYR  94           2HE      TYR  94  -6.560  12.965 -10.739
  631    HH   TYR  94           HH       TYR  94  -8.905  12.410 -11.622
  632    H    GLU  95           H        GLU  95  -5.714   7.321 -12.200
  633    HA   GLU  95           HA       GLU  95  -6.349   7.893 -14.289
  634   1HB   GLU  95          2HB       GLU  95  -6.321  10.223 -13.221
  635   1HG   GLU  95          2HG       GLU  95  -7.235   9.670 -15.551
  636    H    GLY  96           H        GLY  96  -3.092   9.353 -14.117
  637   1HA   GLY  96          1HA       GLY  96  -1.862   7.222 -15.538
  638   2HA   GLY  96          2HA       GLY  96  -2.193   8.566 -16.624
  639    H    VAL  97           H        VAL  97  -1.425   8.910 -13.238
  640    HA   VAL  97           HA       VAL  97   1.266   9.893 -13.923
  641    HB   VAL  97           HB       VAL  97  -0.450  11.159 -11.795
  642   1HG1  VAL  97          1HG1      VAL  97   1.341  12.361 -11.272
  643   2HG1  VAL  97          2HG1      VAL  97   2.273  11.278 -12.307
  644   3HG1  VAL  97          3HG1      VAL  97   1.635  12.789 -12.958
  645   1HG2  VAL  97          1HG2      VAL  97  -0.898  11.417 -14.524
  646   2HG2  VAL  97          2HG2      VAL  97  -1.483  12.490 -13.252
  647   3HG2  VAL  97          3HG2      VAL  97   0.027  12.856 -14.091
  648    H    GLU  98           H        GLU  98   2.817   9.049 -12.660
  649    HA   GLU  98           HA       GLU  98   1.911   7.437 -10.389
  650   1HB   GLU  98          2HB       GLU  98   4.529   7.290 -11.905
  651   1HG   GLU  98          2HG       GLU  98   3.707   5.013 -12.562
  652    H    ALA  99           H        ALA  99   2.325   8.098  -8.416
  653    HA   ALA  99           HA       ALA  99   4.669   9.817  -7.945
  654   1HB   ALA  99          1HB       ALA  99   2.705  10.172  -5.888
  655   2HB   ALA  99          2HB       ALA  99   3.414  11.376  -6.965
  656   3HB   ALA  99          3HB       ALA  99   1.972  10.489  -7.461
  657    H    LYS 100           H        LYS 100   6.040   9.032  -6.415
  658    HA   LYS 100           HA       LYS 100   5.073   6.847  -4.706
  659   1HB   LYS 100          2HB       LYS 100   7.055   5.493  -5.303
  660   1HG   LYS 100          2HG       LYS 100   7.482   7.559  -7.451
  661   1HD   LYS 100          2HD       LYS 100   8.806   4.881  -7.021
  662   1HE   LYS 100          2HE       LYS 100   9.962   5.433  -9.155
  663   1HZ   LYS 100          1HZ       LYS 100  11.641   6.731  -8.186
  664   2HZ   LYS 100          2HZ       LYS 100  10.983   5.829  -6.913
  665   3HZ   LYS 100          3HZ       LYS 100  10.576   7.470  -7.090
  666    H    ARG 101           H        ARG 101   5.971   6.692  -2.751
  667    HA   ARG 101           HA       ARG 101   8.098   8.619  -2.099
  668   1HB   ARG 101          2HB       ARG 101   5.842   8.715  -0.853
  669   1HG   ARG 101          2HG       ARG 101   8.335   8.365   0.800
  670   1HD   ARG 101          2HD       ARG 101   5.775   9.867   1.318
  671    HE   ARG 101           HE       ARG 101   7.733   9.810   3.414
  672   1HH1  ARG 101          2HH1      ARG 101   6.645  11.563   0.578
  673   2HH1  ARG 101          1HH1      ARG 101   7.368  13.067   1.078
  674   1HH2  ARG 101          2HH2      ARG 101   8.688  11.793   4.075
  675   2HH2  ARG 101          1HH2      ARG 101   8.543  13.190   3.051
  676    H    ILE 102           H        ILE 102   9.894   7.889  -0.939
  677    HA   ILE 102           HA       ILE 102  10.417   5.043  -1.387
  678    HB   ILE 102           HB       ILE 102  12.259   7.421  -1.097
  679   1HG1  ILE 102          2HG1      ILE 102  13.025   6.545  -3.382
  680   1HG2  ILE 102          1HG2      ILE 102  13.158   5.392   0.062
  681   2HG2  ILE 102          2HG2      ILE 102  13.155   4.579  -1.502
  682   3HG2  ILE 102          3HG2      ILE 102  14.157   6.007  -1.252
  683   1HD1  ILE 102          1HD1      ILE 102  10.528   7.246  -4.311
  684   2HD1  ILE 102          2HD1      ILE 102  10.664   8.093  -2.773
  685   3HD1  ILE 102          3HD1      ILE 102  11.886   8.331  -4.020
  686    H    PHE 103           H        PHE 103  10.775   3.666   0.205
  687    HA   PHE 103           HA       PHE 103  11.542   4.646   2.855
  688   1HB   PHE 103          2HB       PHE 103   9.566   2.393   2.631
  689    HD1  PHE 103           1HD      PHE 103   9.053   5.773   4.018
  690    HD2  PHE 103           2HD      PHE 103   7.856   2.904   1.116
  691    HE1  PHE 103           1HE      PHE 103   7.068   7.126   3.503
  692    HE2  PHE 103           2HE      PHE 103   5.867   4.252   0.594
  693    HZ   PHE 103           HZ       PHE 103   5.470   6.368   1.788
  694    H    LYS 104           H        LYS 104  12.346   2.770   4.217
  695    HA   LYS 104           HA       LYS 104  13.338   0.530   2.632
  696   1HB   LYS 104          2HB       LYS 104  15.593   0.844   3.084
  697   1HG   LYS 104          2HG       LYS 104  15.436   1.254   5.507
  698   1HD   LYS 104          2HD       LYS 104  14.980   4.131   4.733
  699   1HE   LYS 104          2HE       LYS 104  16.396   3.791   6.725
  700   1HZ   LYS 104          1HZ       LYS 104  15.319   1.627   7.372
  701   2HZ   LYS 104          2HZ       LYS 104  14.029   2.536   7.988
  702   3HZ   LYS 104          3HZ       LYS 104  15.584   2.721   8.640
  703    H    LYS 105           H        LYS 105  14.168  -1.234   4.004
  704    HA   LYS 105           HA       LYS 105  12.458  -1.846   6.138
  705   1HB   LYS 105          2HB       LYS 105  13.609  -3.592   4.918
  706   1HG   LYS 105          2HG       LYS 105  14.681  -4.926   6.681
  707   1HD   LYS 105          2HD       LYS 105  12.202  -3.497   7.630
  708   1HE   LYS 105          2HE       LYS 105  11.718  -5.668   8.714
  709   1HZ   LYS 105          1HZ       LYS 105  13.895  -5.444  10.256
  710   2HZ   LYS 105          2HZ       LYS 105  12.527  -4.459  10.395
  711   3HZ   LYS 105          3HZ       LYS 105  13.876  -3.913   9.527
  712    H    GLU 106           H        GLU 106  12.586  -1.484   8.320
  713    HA   GLU 106           HA       GLU 106  14.455   0.496   9.240
  714   1HB   GLU 106          2HB       GLU 106  12.082   0.364  10.033
  715   1HG   GLU 106          2HG       GLU 106  14.123   0.061  12.224
  Start of MODEL    2
    1   1H    ALA   1          1H        ALA   1   8.849 -14.537   5.363
    2   2H    ALA   1          2H        ALA   1   7.411 -15.221   4.783
    3   3H    ALA   1          3H        ALA   1   7.373 -14.175   6.118
    4    HA   ALA   1           HA       ALA   1   8.298 -13.346   3.438
    5   1HB   ALA   1          1HB       ALA   1   5.614 -12.585   4.509
    6   2HB   ALA   1          2HB       ALA   1   6.189 -12.635   2.842
    7   3HB   ALA   1          3HB       ALA   1   5.819 -14.135   3.692
    8    H    PHE   2           H        PHE   2   6.312 -11.058   4.554
    9    HA   PHE   2           HA       PHE   2   8.450  -9.377   5.461
   10   1HB   PHE   2          2HB       PHE   2   5.521  -8.980   4.984
   11    HD1  PHE   2           1HD      PHE   2   7.200  -9.753   2.833
   12    HD2  PHE   2           2HD      PHE   2   6.840  -5.930   4.666
   13    HE1  PHE   2           1HE      PHE   2   7.980  -8.688   0.759
   14    HE2  PHE   2           2HE      PHE   2   7.617  -4.859   2.593
   15    HZ   PHE   2           HZ       PHE   2   8.188  -6.239   0.636
   16    H    ASP   3           H        ASP   3   5.531  -8.860   7.173
   17    HA   ASP   3           HA       ASP   3   5.030  -8.790   9.375
   18   1HB   ASP   3          2HB       ASP   3   5.087 -11.246   9.274
   19    H    GLY   4           H        GLY   4   6.502  -6.903   8.794
   20   1HA   GLY   4          1HA       GLY   4   8.406  -6.481  10.913
   21   2HA   GLY   4          2HA       GLY   4   9.129  -6.650   9.315
   22    H    THR   5           H        THR   5   9.458  -4.313  10.674
   23    HA   THR   5           HA       THR   5   7.474  -2.456   9.565
   24    HB   THR   5           HB       THR   5   8.580  -0.770  11.032
   25    HG1  THR   5           1HG      THR   5  10.609  -2.220  11.041
   26   1HG2  THR   5          1HG2      THR   5   6.675  -1.805  11.973
   27   2HG2  THR   5          2HG2      THR   5   7.915  -1.879  13.225
   28   3HG2  THR   5          3HG2      THR   5   7.543  -3.311  12.266
   29    H    TRP   6           H        TRP   6   7.969  -1.193   7.867
   30    HA   TRP   6           HA       TRP   6  10.799  -0.864   7.101
   31   1HB   TRP   6          2HB       TRP   6   8.497  -1.445   5.204
   32    HD1  TRP   6           HD       TRP   6   9.171  -3.697   7.406
   33    HE1  TRP   6           1HE      TRP   6  10.000  -6.002   6.608
   34    HE3  TRP   6           3HE      TRP   6  10.857  -2.386   2.762
   35    HZ2  TRP   6           2HZ      TRP   6  11.195  -7.111   4.320
   36    HZ3  TRP   6           3HZ      TRP   6  11.813  -4.140   1.325
   37    HH2  TRP   6           HH       TRP   6  11.985  -6.449   2.090
   38    H    LYS   7           H        LYS   7  10.956   1.311   7.658
   39    HA   LYS   7           HA       LYS   7   9.655   3.192   5.988
   40   1HB   LYS   7          2HB       LYS   7   7.953   2.449   7.850
   41   1HG   LYS   7          2HG       LYS   7   6.970   4.704   7.960
   42   1HD   LYS   7          2HD       LYS   7   7.954   4.159   5.174
   43   1HE   LYS   7          2HE       LYS   7   6.543   6.187   5.675
   44   1HZ   LYS   7          1HZ       LYS   7   4.049   4.922   5.692
   45   2HZ   LYS   7          2HZ       LYS   7   4.702   5.971   6.850
   46   3HZ   LYS   7          3HZ       LYS   7   4.939   4.305   7.002
   47    H    VAL   8           H        VAL   8  10.132   5.481   6.668
   48    HA   VAL   8           HA       VAL   8  12.877   5.553   7.716
   49    HB   VAL   8           HB       VAL   8  11.522   7.506   5.853
   50   1HG1  VAL   8          1HG1      VAL   8  13.548   8.189   7.320
   51   2HG1  VAL   8          2HG1      VAL   8  14.481   7.197   6.198
   52   3HG1  VAL   8          3HG1      VAL   8  13.562   8.580   5.601
   53   1HG2  VAL   8          1HG2      VAL   8  13.557   5.418   5.099
   54   2HG2  VAL   8          2HG2      VAL   8  11.818   5.183   4.926
   55   3HG2  VAL   8          3HG2      VAL   8  12.628   6.467   4.028
   56    H    GLY   9           H        GLY   9  13.175   6.506   9.608
   57   1HA   GLY   9          1HA       GLY   9  13.089   8.029  11.305
   58   2HA   GLY   9          2HA       GLY   9  12.637   9.152  10.040
   59    H    GLY  10           H        GLY  10  10.998  10.311  10.586
   60   1HA   GLY  10          1HA       GLY  10   9.399   9.832  12.819
   61   2HA   GLY  10          2HA       GLY  10   9.105  11.065  11.608
   62    H    LEU  11           H        LEU  11   8.918   8.720   9.602
   63    HA   LEU  11           HA       LEU  11   6.115   8.133  10.244
   64   1HB   LEU  11          2HB       LEU  11   6.175   7.403   7.697
   65    HG   LEU  11           HG       LEU  11   8.553   9.172   7.917
   66   1HD1  LEU  11          1HD1      LEU  11   7.673   6.797   6.467
   67   2HD1  LEU  11          2HD1      LEU  11   8.610   7.942   5.505
   68   3HD1  LEU  11          3HD1      LEU  11   9.285   7.282   6.996
   69   1HD2  LEU  11          1HD2      LEU  11   6.281   9.662   6.055
   70   2HD2  LEU  11          2HD2      LEU  11   7.364  10.810   6.844
   71   3HD2  LEU  11          3HD2      LEU  11   7.931   9.864   5.466
   72    H    LYS  12           H        LYS  12   5.309   6.052   9.983
   73    HA   LYS  12           HA       LYS  12   7.345   3.932  10.128
   74   1HB   LYS  12          2HB       LYS  12   5.954   2.922  11.962
   75   1HG   LYS  12          2HG       LYS  12   4.633   5.625  11.953
   76   1HD   LYS  12          2HD       LYS  12   4.410   3.367  13.940
   77   1HE   LYS  12          2HE       LYS  12   2.292   4.562  13.548
   78   1HZ   LYS  12          1HZ       LYS  12   3.979   6.860  13.650
   79   2HZ   LYS  12          2HZ       LYS  12   2.708   6.976  14.768
   80   3HZ   LYS  12          3HZ       LYS  12   2.368   6.725  13.128
   81    H    LEU  13           H        LEU  13   6.613   1.799   9.685
   82    HA   LEU  13           HA       LEU  13   4.031   1.424   8.407
   83   1HB   LEU  13          2HB       LEU  13   5.945   2.430   6.811
   84    HG   LEU  13           HG       LEU  13   3.663   1.857   5.999
   85   1HD1  LEU  13          1HD1      LEU  13   4.807   2.640   4.219
   86   2HD1  LEU  13          2HD1      LEU  13   6.159   1.533   4.466
   87   3HD1  LEU  13          3HD1      LEU  13   4.686   0.965   3.680
   88   1HD2  LEU  13          1HD2      LEU  13   4.717  -0.839   6.313
   89   2HD2  LEU  13          2HD2      LEU  13   3.047  -0.282   6.188
   90   3HD2  LEU  13          3HD2      LEU  13   3.999  -0.554   4.727
   91    H    THR  14           H        THR  14   3.418  -0.661   8.556
   92    HA   THR  14           HA       THR  14   5.404  -2.728   9.112
   93    HB   THR  14           HB       THR  14   2.940  -2.396  10.836
   94    HG1  THR  14           1HG      THR  14   5.253  -1.007  10.934
   95   1HG2  THR  14          1HG2      THR  14   4.352  -3.906  12.345
   96   2HG2  THR  14          2HG2      THR  14   5.360  -4.184  10.925
   97   3HG2  THR  14          3HG2      THR  14   3.656  -4.639  10.899
   98    H    ILE  15           H        ILE  15   4.931  -4.520   7.978
   99    HA   ILE  15           HA       ILE  15   2.184  -4.787   6.935
  100    HB   ILE  15           HB       ILE  15   4.712  -5.844   5.686
  101   1HG1  ILE  15          2HG1      ILE  15   3.017  -3.455   4.912
  102   1HG2  ILE  15          1HG2      ILE  15   3.384  -6.522   3.849
  103   2HG2  ILE  15          2HG2      ILE  15   2.527  -7.066   5.291
  104   3HG2  ILE  15          3HG2      ILE  15   1.985  -5.621   4.434
  105   1HD1  ILE  15          1HD1      ILE  15   3.839  -4.435   2.892
  106   2HD1  ILE  15          2HD1      ILE  15   4.793  -2.996   3.252
  107   3HD1  ILE  15          3HD1      ILE  15   5.455  -4.598   3.578
  108    H    THR  16           H        THR  16   1.228  -6.214   8.228
  109    HA   THR  16           HA       THR  16   2.746  -8.569   9.072
  110    HB   THR  16           HB       THR  16   0.063  -7.748  10.182
  111    HG1  THR  16           1HG      THR  16   2.631  -6.809  11.041
  112   1HG2  THR  16          1HG2      THR  16   2.200  -8.810  11.909
  113   2HG2  THR  16          2HG2      THR  16   1.605  -9.925  10.679
  114   3HG2  THR  16          3HG2      THR  16   0.486  -9.218  11.845
  115    H    GLN  17           H        GLN  17   1.836 -10.692   8.839
  116    HA   GLN  17           HA       GLN  17  -0.660 -10.945   7.397
  117   1HB   GLN  17          2HB       GLN  17   0.250 -12.380   5.621
  118   1HG   GLN  17          2HG       GLN  17   2.450 -12.838   6.947
  119   1HE2  GLN  17          1HE2      GLN  17   2.029  -9.693   5.873
  120   2HE2  GLN  17          2HE2      GLN  17   3.663  -9.157   6.038
  121    H    GLU  18           H        GLU  18  -1.743 -12.698   7.909
  122    HA   GLU  18           HA       GLU  18  -0.365 -14.798   9.428
  123   1HB   GLU  18          2HB       GLU  18  -2.725 -15.376  10.214
  124   1HG   GLU  18          2HG       GLU  18  -3.302 -12.564   9.296
  125    H    GLY  19           H        GLY  19   0.304 -16.014   7.703
  126   1HA   GLY  19          1HA       GLY  19   0.063 -17.673   6.094
  127   2HA   GLY  19          2HA       GLY  19  -1.682 -17.588   6.304
  128    H    ASN  20           H        ASN  20  -2.873 -16.351   4.961
  129    HA   ASN  20           HA       ASN  20  -1.446 -14.524   3.158
  130   1HB   ASN  20          2HB       ASN  20  -3.533 -16.569   2.446
  131   1HD2  ASN  20          1HD2      ASN  20  -0.361 -15.510   2.423
  132   2HD2  ASN  20          2HD2      ASN  20   0.224 -16.474   1.105
  133    H    LYS  21           H        LYS  21  -1.932 -12.834   4.397
  134    HA   LYS  21           HA       LYS  21  -4.344 -11.503   3.903
  135   1HB   LYS  21          2HB       LYS  21  -5.163 -13.000   5.739
  136   1HG   LYS  21          2HG       LYS  21  -4.985 -10.093   6.503
  137   1HD   LYS  21          2HD       LYS  21  -5.595 -11.505   8.415
  138   1HE   LYS  21          2HE       LYS  21  -6.528 -13.393   7.084
  139   1HZ   LYS  21          1HZ       LYS  21  -8.317 -11.386   6.216
  140   2HZ   LYS  21          2HZ       LYS  21  -9.182 -12.632   6.971
  141   3HZ   LYS  21          3HZ       LYS  21  -8.158 -12.983   5.665
  142    H    PHE  22           H        PHE  22  -3.169  -9.714   3.344
  143    HA   PHE  22           HA       PHE  22  -0.973  -8.986   5.132
  144   1HB   PHE  22          2HB       PHE  22  -1.505  -8.412   2.230
  145    HD1  PHE  22           1HD      PHE  22   1.836  -8.183   2.737
  146    HD2  PHE  22           2HD      PHE  22  -1.244 -11.121   2.810
  147    HE1  PHE  22           1HE      PHE  22   3.503  -9.935   2.285
  148    HE2  PHE  22           2HE      PHE  22   0.419 -12.878   2.366
  149    HZ   PHE  22           HZ       PHE  22   2.795 -12.288   2.102
  150    H    THR  23           H        THR  23  -0.874  -7.140   6.186
  151    HA   THR  23           HA       THR  23  -2.872  -5.082   5.579
  152    HB   THR  23           HB       THR  23  -3.588  -6.320   7.599
  153    HG1  THR  23           1HG      THR  23  -3.550  -3.803   7.249
  154   1HG2  THR  23          1HG2      THR  23  -1.798  -5.306   9.541
  155   2HG2  THR  23          2HG2      THR  23  -0.826  -6.109   8.306
  156   3HG2  THR  23          3HG2      THR  23  -2.114  -6.990   9.125
  157    H    VAL  24           H        VAL  24  -2.046  -3.088   5.357
  158    HA   VAL  24           HA       VAL  24   0.813  -2.766   5.981
  159    HB   VAL  24           HB       VAL  24  -0.927  -1.349   3.949
  160   1HG1  VAL  24          1HG1      VAL  24   1.843  -0.761   4.915
  161   2HG1  VAL  24          2HG1      VAL  24   1.395  -0.420   3.243
  162   3HG1  VAL  24          3HG1      VAL  24   0.517   0.348   4.566
  163   1HG2  VAL  24          1HG2      VAL  24   1.024  -2.356   2.483
  164   2HG2  VAL  24          2HG2      VAL  24   1.121  -3.505   3.816
  165   3HG2  VAL  24          3HG2      VAL  24  -0.387  -3.319   2.921
  166    H    LYS  25           H        LYS  25   1.430  -1.256   7.386
  167    HA   LYS  25           HA       LYS  25  -0.667   0.351   8.649
  168   1HB   LYS  25          2HB       LYS  25   0.574  -1.026  10.181
  169   1HG   LYS  25          2HG       LYS  25   1.582   1.802  10.364
  170   1HD   LYS  25          2HD       LYS  25   1.521  -0.382  12.444
  171   1HE   LYS  25          2HE       LYS  25   2.632   1.266  13.876
  172   1HZ   LYS  25          1HZ       LYS  25   0.118   2.462  12.866
  173   2HZ   LYS  25          2HZ       LYS  25   0.743   2.510  14.442
  174   3HZ   LYS  25          3HZ       LYS  25   0.142   1.058  13.814
  175    H    GLU  26           H        GLU  26  -0.865   2.312   7.807
  176    HA   GLU  26           HA       GLU  26   1.531   3.652   6.789
  177   1HB   GLU  26          2HB       GLU  26  -1.225   3.509   5.925
  178   1HG   GLU  26          2HG       GLU  26   0.746   3.089   4.499
  179    H    SER  27           H        SER  27   2.118   5.669   7.399
  180    HA   SER  27           HA       SER  27   0.611   7.155   9.370
  181   1HB   SER  27          2HB       SER  27   3.370   6.091  10.040
  182    HG   SER  27           HG       SER  27   0.951   4.986  10.399
  183    H    SER  28           H        SER  28   0.985   9.278   9.107
  184    HA   SER  28           HA       SER  28   3.493  10.317   8.172
  185   1HB   SER  28          2HB       SER  28   1.060  10.549   6.377
  186    HG   SER  28           HG       SER  28   3.002   8.739   6.429
  187    H    ASN  29           H        ASN  29   3.775  12.128   9.241
  188    HA   ASN  29           HA       ASN  29   3.472  14.103  10.280
  189   1HB   ASN  29          2HB       ASN  29   1.117  14.144   8.418
  190   1HD2  ASN  29          1HD2      ASN  29   4.414  14.483   8.969
  191   2HD2  ASN  29          2HD2      ASN  29   4.799  15.433   7.570
  192    H    PHE  30           H        PHE  30   0.070  12.952  10.116
  193    HA   PHE  30           HA       PHE  30  -0.029  12.567  12.962
  194   1HB   PHE  30          2HB       PHE  30  -0.093  15.077  12.699
  195    HD1  PHE  30           1HD      PHE  30  -0.288  13.231  14.912
  196    HD2  PHE  30           2HD      PHE  30  -3.272  15.742  13.210
  197    HE1  PHE  30           1HE      PHE  30  -1.485  13.257  17.062
  198    HE2  PHE  30           2HE      PHE  30  -4.477  15.770  15.354
  199    HZ   PHE  30           HZ       PHE  30  -3.584  14.525  17.284
  200    H    ARG  31           H        ARG  31  -0.605  10.656  11.324
  201    HA   ARG  31           HA       ARG  31  -3.276  10.078  12.005
  202   1HB   ARG  31          2HB       ARG  31  -4.260   9.654   9.815
  203   1HG   ARG  31          2HG       ARG  31  -1.837   9.622   8.696
  204   1HD   ARG  31          2HD       ARG  31  -1.463  12.021   9.004
  205    HE   ARG  31           HE       ARG  31  -3.237  13.402   8.686
  206   1HH1  ARG  31          2HH1      ARG  31  -3.204  11.073   6.072
  207   2HH1  ARG  31          1HH1      ARG  31  -4.655  11.682   5.339
  208   1HH2  ARG  31          2HH2      ARG  31  -5.149  14.223   7.707
  209   2HH2  ARG  31          1HH2      ARG  31  -5.757  13.467   6.258
  210    H    ASN  32           H        ASN  32  -3.713   7.916  11.961
  211    HA   ASN  32           HA       ASN  32  -1.578   6.155  10.948
  212   1HB   ASN  32          2HB       ASN  32  -1.236   6.500  13.359
  213   1HD2  ASN  32          1HD2      ASN  32  -3.017   4.064  14.487
  214   2HD2  ASN  32          2HD2      ASN  32  -2.011   2.712  14.061
  215    H    ILE  33           H        ILE  33  -2.357   4.544   9.731
  216    HA   ILE  33           HA       ILE  33  -5.018   3.459  10.247
  217    HB   ILE  33           HB       ILE  33  -5.506   5.373   8.851
  218   1HG1  ILE  33          2HG1      ILE  33  -5.646   2.840   7.201
  219   1HG2  ILE  33          1HG2      ILE  33  -4.077   4.415   6.470
  220   2HG2  ILE  33          2HG2      ILE  33  -4.321   6.055   7.071
  221   3HG2  ILE  33          3HG2      ILE  33  -3.052   5.041   7.762
  222   1HD1  ILE  33          1HD1      ILE  33  -7.854   4.781   7.216
  223   2HD1  ILE  33          2HD1      ILE  33  -6.397   5.250   6.338
  224   3HD1  ILE  33          3HD1      ILE  33  -7.237   3.758   5.917
  225    H    ASP  34           H        ASP  34  -5.339   1.407   9.478
  226    HA   ASP  34           HA       ASP  34  -3.012   0.141   8.171
  227   1HB   ASP  34          2HB       ASP  34  -5.267  -1.255   9.632
  228    H    VAL  35           H        VAL  35  -3.282  -1.027   6.322
  229    HA   VAL  35           HA       VAL  35  -5.979  -1.021   5.132
  230    HB   VAL  35           HB       VAL  35  -4.139   0.213   3.858
  231   1HG1  VAL  35          1HG1      VAL  35  -2.926  -1.613   2.354
  232   2HG1  VAL  35          2HG1      VAL  35  -2.210  -0.868   3.783
  233   3HG1  VAL  35          3HG1      VAL  35  -2.973  -2.453   3.904
  234   1HG2  VAL  35          1HG2      VAL  35  -6.320  -0.760   2.931
  235   2HG2  VAL  35          2HG2      VAL  35  -5.052  -0.329   1.784
  236   3HG2  VAL  35          3HG2      VAL  35  -5.297  -2.017   2.237
  237    H    VAL  36           H        VAL  36  -6.869  -3.016   4.849
  238    HA   VAL  36           HA       VAL  36  -5.060  -5.305   5.209
  239    HB   VAL  36           HB       VAL  36  -6.547  -4.988   7.143
  240   1HG1  VAL  36          1HG1      VAL  36  -8.586  -4.187   6.746
  241   2HG1  VAL  36          2HG1      VAL  36  -8.568  -4.729   5.069
  242   3HG1  VAL  36          3HG1      VAL  36  -9.033  -5.847   6.351
  243   1HG2  VAL  36          1HG2      VAL  36  -5.929  -7.309   5.907
  244   2HG2  VAL  36          2HG2      VAL  36  -6.763  -7.207   7.457
  245   3HG2  VAL  36          3HG2      VAL  36  -7.687  -7.433   5.973
  246    H    PHE  37           H        PHE  37  -5.111  -6.917   3.763
  247    HA   PHE  37           HA       PHE  37  -7.323  -7.298   1.955
  248   1HB   PHE  37          2HB       PHE  37  -5.796  -6.941  -0.065
  249    HD1  PHE  37           1HD      PHE  37  -3.430  -7.633   0.245
  250    HD2  PHE  37           2HD      PHE  37  -4.942  -3.971   1.798
  251    HE1  PHE  37           1HE      PHE  37  -1.132  -6.794   0.503
  252    HE2  PHE  37           2HE      PHE  37  -2.656  -3.120   2.056
  253    HZ   PHE  37           HZ       PHE  37  -0.741  -4.537   1.406
  254    H    GLU  38           H        GLU  38  -7.306  -9.240   0.952
  255    HA   GLU  38           HA       GLU  38  -5.100 -11.037   1.666
  256   1HB   GLU  38          2HB       GLU  38  -7.959 -11.654   0.904
  257   1HG   GLU  38          2HG       GLU  38  -6.501 -12.106   3.498
  258    H    LEU  39           H        LEU  39  -4.208 -12.380   0.076
  259    HA   LEU  39           HA       LEU  39  -3.722 -11.066  -2.327
  260   1HB   LEU  39          2HB       LEU  39  -3.240 -13.973  -1.658
  261    HG   LEU  39           HG       LEU  39  -0.822 -13.192  -1.444
  262   1HD1  LEU  39          1HD1      LEU  39  -2.190 -10.541  -1.065
  263   2HD1  LEU  39          2HD1      LEU  39  -0.515 -10.895  -0.640
  264   3HD1  LEU  39          3HD1      LEU  39  -1.031 -10.968  -2.326
  265   1HD2  LEU  39          1HD2      LEU  39  -2.341 -12.055   0.822
  266   2HD2  LEU  39          2HD2      LEU  39  -2.641 -13.743   0.408
  267   3HD2  LEU  39          3HD2      LEU  39  -1.009 -13.211   0.810
  268    H    GLY  40           H        GLY  40  -4.916 -10.851  -4.073
  269   1HA   GLY  40          1HA       GLY  40  -6.195 -11.464  -5.897
  270   2HA   GLY  40          2HA       GLY  40  -6.243 -13.107  -5.277
  271    H    VAL  41           H        VAL  41  -7.265 -10.181  -3.581
  272    HA   VAL  41           HA       VAL  41 -10.044 -11.130  -3.789
  273    HB   VAL  41           HB       VAL  41  -8.742  -9.917  -1.343
  274   1HG1  VAL  41          1HG1      VAL  41 -11.155 -10.860  -0.526
  275   2HG1  VAL  41          2HG1      VAL  41 -10.824  -9.177  -0.932
  276   3HG1  VAL  41          3HG1      VAL  41 -11.547 -10.248  -2.133
  277   1HG2  VAL  41          1HG2      VAL  41  -9.240 -12.664  -2.217
  278   2HG2  VAL  41          2HG2      VAL  41  -8.120 -12.044  -1.003
  279   3HG2  VAL  41          3HG2      VAL  41  -9.814 -12.308  -0.588
  280    H    ASP  42           H        ASP  42 -11.503  -9.668  -4.361
  281    HA   ASP  42           HA       ASP  42 -10.632  -6.887  -4.775
  282   1HB   ASP  42          2HB       ASP  42 -11.425  -8.147  -6.766
  283    H    PHE  43           H        PHE  43 -11.558  -5.292  -3.599
  284    HA   PHE  43           HA       PHE  43 -14.078  -5.735  -2.210
  285   1HB   PHE  43          2HB       PHE  43 -12.999  -5.333   0.015
  286    HD1  PHE  43           1HD      PHE  43 -11.403  -3.484   0.167
  287    HD2  PHE  43           2HD      PHE  43 -10.296  -7.245  -1.486
  288    HE1  PHE  43           1HE      PHE  43  -9.030  -2.854   0.329
  289    HE2  PHE  43           2HE      PHE  43  -7.927  -6.625  -1.326
  290    HZ   PHE  43           HZ       PHE  43  -7.290  -4.428  -0.413
  291    H    ALA  44           H        ALA  44 -14.781  -3.866  -0.995
  292    HA   ALA  44           HA       ALA  44 -13.685  -1.351  -2.072
  293   1HB   ALA  44          1HB       ALA  44 -16.252  -1.215  -0.668
  294   2HB   ALA  44          2HB       ALA  44 -15.776  -0.541  -2.227
  295   3HB   ALA  44          3HB       ALA  44 -16.278  -2.227  -2.112
  296    H    TYR  45           H        TYR  45 -12.881   0.153  -0.658
  297    HA   TYR  45           HA       TYR  45 -13.239  -0.299   2.209
  298   1HB   TYR  45          2HB       TYR  45 -11.270  -1.629   1.455
  299    HD1  TYR  45           1HD      TYR  45 -12.404  -0.485   4.051
  300    HD2  TYR  45           2HD      TYR  45  -8.583  -0.164   2.210
  301    HE1  TYR  45           1HE      TYR  45 -11.376  -0.140   6.256
  302    HE2  TYR  45           2HE      TYR  45  -7.545   0.183   4.412
  303    HH   TYR  45           HH       TYR  45  -7.879   0.007   6.662
  304    H    SER  46           H        SER  46 -13.356   1.519   3.332
  305    HA   SER  46           HA       SER  46 -12.635   4.030   1.988
  306   1HB   SER  46          2HB       SER  46 -14.960   4.006   2.689
  307    HG   SER  46           HG       SER  46 -13.773   5.455   4.781
  308    H    LEU  47           H        LEU  47 -10.853   4.996   2.637
  309    HA   LEU  47           HA       LEU  47  -9.669   4.150   5.187
  310   1HB   LEU  47          2HB       LEU  47  -8.374   5.339   2.734
  311    HG   LEU  47           HG       LEU  47  -8.444   2.541   3.775
  312   1HD1  LEU  47          1HD1      LEU  47  -9.831   3.138   1.864
  313   2HD1  LEU  47          2HD1      LEU  47  -8.407   3.725   1.004
  314   3HD1  LEU  47          3HD1      LEU  47  -8.557   2.011   1.396
  315   1HD2  LEU  47          1HD2      LEU  47  -6.366   2.499   2.011
  316   2HD2  LEU  47          2HD2      LEU  47  -6.060   3.989   2.902
  317   3HD2  LEU  47          3HD2      LEU  47  -6.210   2.459   3.767
  318    H    ALA  48           H        ALA  48  -9.595   5.532   6.784
  319    HA   ALA  48           HA       ALA  48  -9.769   7.418   8.023
  320   1HB   ALA  48          1HB       ALA  48  -8.672   9.423   6.400
  321   2HB   ALA  48          2HB       ALA  48  -7.857   8.473   7.643
  322   3HB   ALA  48          3HB       ALA  48  -7.839   7.933   5.964
  323    H    ASP  49           H        ASP  49 -11.997   6.783   6.345
  324    HA   ASP  49           HA       ASP  49 -13.962   7.625   5.565
  325   1HB   ASP  49          2HB       ASP  49 -13.178   9.774   7.542
  326    H    GLY  50           H        GLY  50 -11.783   8.129   3.869
  327   1HA   GLY  50          1HA       GLY  50 -12.766  10.557   2.549
  328   2HA   GLY  50          2HA       GLY  50 -11.049  10.440   2.906
  329    H    THR  51           H        THR  51  -9.996   8.354   2.055
  330    HA   THR  51           HA       THR  51 -10.539   8.230  -0.756
  331    HB   THR  51           HB       THR  51  -8.671   6.723  -0.922
  332    HG1  THR  51           1HG      THR  51  -9.385   5.583   1.123
  333   1HG2  THR  51          1HG2      THR  51  -8.055   9.040  -0.534
  334   2HG2  THR  51          2HG2      THR  51  -6.903   7.971   0.267
  335   3HG2  THR  51          3HG2      THR  51  -8.144   8.795   1.210
  336    H    GLU  52           H        GLU  52 -11.863   6.842  -1.798
  337    HA   GLU  52           HA       GLU  52 -12.823   4.505  -0.293
  338   1HB   GLU  52          2HB       GLU  52 -14.356   6.133  -2.340
  339   1HG   GLU  52          2HG       GLU  52 -14.681   6.024   0.649
  340    H    LEU  53           H        LEU  53 -11.319   3.161  -1.130
  341    HA   LEU  53           HA       LEU  53 -11.129   2.928  -4.031
  342   1HB   LEU  53          2HB       LEU  53  -9.362   2.112  -1.754
  343    HG   LEU  53           HG       LEU  53  -8.790   3.581  -4.329
  344   1HD1  LEU  53          1HD1      LEU  53  -8.346   5.476  -2.984
  345   2HD1  LEU  53          2HD1      LEU  53  -9.898   4.834  -2.443
  346   3HD1  LEU  53          3HD1      LEU  53  -8.441   4.532  -1.496
  347   1HD2  LEU  53          1HD2      LEU  53  -6.511   3.662  -3.715
  348   2HD2  LEU  53          2HD2      LEU  53  -6.838   2.975  -2.123
  349   3HD2  LEU  53          3HD2      LEU  53  -6.996   1.973  -3.566
  350    H    THR  54           H        THR  54 -12.077   1.347  -5.065
  351    HA   THR  54           HA       THR  54 -12.743  -1.148  -3.631
  352    HB   THR  54           HB       THR  54 -14.010  -0.253  -6.214
  353    HG1  THR  54           1HG      THR  54 -14.304   0.905  -3.813
  354   1HG2  THR  54          1HG2      THR  54 -14.919  -2.289  -6.042
  355   2HG2  THR  54          2HG2      THR  54 -15.828  -1.676  -4.661
  356   3HG2  THR  54          3HG2      THR  54 -14.291  -2.503  -4.408
  357    H    GLY  55           H        GLY  55 -11.150  -2.618  -4.149
  358   1HA   GLY  55          1HA       GLY  55 -10.523  -3.075  -6.932
  359   2HA   GLY  55          2HA       GLY  55  -9.251  -2.262  -6.046
  360    H    THR  56           H        THR  56  -8.753  -4.586  -7.258
  361    HA   THR  56           HA       THR  56  -8.657  -6.588  -5.106
  362    HB   THR  56           HB       THR  56  -9.651  -7.440  -7.164
  363    HG1  THR  56           1HG      THR  56  -8.652  -9.220  -6.665
  364   1HG2  THR  56          1HG2      THR  56  -7.740  -5.833  -8.442
  365   2HG2  THR  56          2HG2      THR  56  -8.944  -6.878  -9.197
  366   3HG2  THR  56          3HG2      THR  56  -7.329  -7.498  -8.855
  367    H    TRP  57           H        TRP  57  -6.681  -7.424  -4.452
  368    HA   TRP  57           HA       TRP  57  -4.270  -6.072  -5.496
  369   1HB   TRP  57          2HB       TRP  57  -4.986  -5.232  -3.244
  370    HD1  TRP  57           HD       TRP  57  -2.258  -7.801  -2.417
  371    HE1  TRP  57           1HE      TRP  57  -0.020  -6.562  -2.164
  372    HE3  TRP  57           3HE      TRP  57  -3.730  -3.137  -3.908
  373    HZ2  TRP  57           2HZ      TRP  57   0.991  -3.957  -2.546
  374    HZ3  TRP  57           3HZ      TRP  57  -2.067  -1.328  -3.931
  375    HH2  TRP  57           HH       TRP  57   0.249  -1.732  -3.266
  376    H    THR  58           H        THR  58  -2.499  -7.357  -5.870
  377    HA   THR  58           HA       THR  58  -2.552 -10.101  -4.844
  378    HB   THR  58           HB       THR  58  -1.660 -10.940  -7.030
  379    HG1  THR  58           1HG      THR  58  -1.257  -8.592  -7.697
  380   1HG2  THR  58          1HG2      THR  58  -4.119 -10.209  -8.135
  381   2HG2  THR  58          2HG2      THR  58  -4.378 -10.217  -6.390
  382   3HG2  THR  58          3HG2      THR  58  -3.761 -11.659  -7.198
  383    H    MET  59           H        MET  59  -0.634 -10.756  -4.072
  384    HA   MET  59           HA       MET  59   1.744  -9.201  -4.839
  385   1HB   MET  59          2HB       MET  59   1.226  -8.816  -2.468
  386   1HG   MET  59          2HG       MET  59   3.606 -10.649  -2.752
  387   1HE   MET  59          1HE       MET  59   5.633  -8.338  -0.300
  388   2HE   MET  59          2HE       MET  59   5.744 -10.097  -0.305
  389   3HE   MET  59          3HE       MET  59   5.652  -9.216  -1.829
  390    H    GLU  60           H        GLU  60   2.735 -10.396  -6.277
  391    HA   GLU  60           HA       GLU  60   2.862 -13.304  -5.859
  392   1HB   GLU  60          2HB       GLU  60   3.496 -11.698  -8.346
  393   1HG   GLU  60          2HG       GLU  60   1.078 -13.392  -7.764
  394    H    GLY  61           H        GLY  61   4.549 -13.730  -4.599
  395   1HA   GLY  61          1HA       GLY  61   6.763 -13.907  -3.949
  396   2HA   GLY  61          2HA       GLY  61   7.234 -13.100  -5.441
  397    H    ASN  62           H        ASN  62   8.199 -11.251  -5.107
  398    HA   ASN  62           HA       ASN  62   7.356  -9.565  -2.845
  399   1HB   ASN  62          2HB       ASN  62  10.026  -9.850  -4.210
  400   1HD2  ASN  62          1HD2      ASN  62  11.029 -11.378  -3.135
  401   2HD2  ASN  62          2HD2      ASN  62  10.984 -11.618  -1.415
  402    H    LYS  63           H        LYS  63   5.812  -9.615  -5.076
  403    HA   LYS  63           HA       LYS  63   6.379  -7.014  -6.320
  404   1HB   LYS  63          2HB       LYS  63   5.431  -9.552  -7.629
  405   1HG   LYS  63          2HG       LYS  63   6.873  -8.781  -9.495
  406   1HD   LYS  63          2HD       LYS  63   8.429  -8.918  -6.927
  407   1HE   LYS  63          2HE       LYS  63  10.018 -10.186  -8.285
  408   1HZ   LYS  63          1HZ       LYS  63  10.833  -8.403  -9.660
  409   2HZ   LYS  63          2HZ       LYS  63  10.316  -7.782  -8.169
  410   3HZ   LYS  63          3HZ       LYS  63   9.355  -7.583  -9.556
  411    H    LEU  64           H        LEU  64   4.870  -5.603  -5.944
  412    HA   LEU  64           HA       LEU  64   2.256  -6.515  -4.962
  413   1HB   LEU  64          2HB       LEU  64   3.816  -3.970  -4.501
  414    HG   LEU  64           HG       LEU  64   4.507  -6.056  -3.189
  415   1HD1  LEU  64          1HD1      LEU  64   5.267  -4.019  -2.345
  416   2HD1  LEU  64          2HD1      LEU  64   3.640  -3.459  -1.951
  417   3HD1  LEU  64          3HD1      LEU  64   4.396  -4.724  -0.982
  418   1HD2  LEU  64          1HD2      LEU  64   3.101  -6.728  -1.360
  419   2HD2  LEU  64          2HD2      LEU  64   1.894  -5.511  -1.780
  420   3HD2  LEU  64          3HD2      LEU  64   2.185  -6.874  -2.860
  421    H    VAL  65           H        VAL  65   0.864  -6.500  -6.632
  422    HA   VAL  65           HA       VAL  65   0.604  -4.031  -8.203
  423    HB   VAL  65           HB       VAL  65   0.593  -6.780  -9.473
  424   1HG1  VAL  65          1HG1      VAL  65   0.771  -5.384 -11.580
  425   2HG1  VAL  65          2HG1      VAL  65  -0.774  -5.334 -10.730
  426   3HG1  VAL  65          3HG1      VAL  65   0.360  -3.993 -10.574
  427   1HG2  VAL  65          1HG2      VAL  65   2.709  -5.041 -10.383
  428   2HG2  VAL  65          2HG2      VAL  65   2.848  -5.369  -8.655
  429   3HG2  VAL  65          3HG2      VAL  65   2.790  -6.704  -9.806
  430    H    GLY  66           H        GLY  66  -1.484  -3.536  -8.778
  431   1HA   GLY  66          1HA       GLY  66  -3.570  -5.442  -8.912
  432   2HA   GLY  66          2HA       GLY  66  -3.657  -4.569  -7.386
  433    H    LYS  67           H        LYS  67  -5.599  -3.586  -7.928
  434    HA   LYS  67           HA       LYS  67  -5.279  -1.078  -9.229
  435   1HB   LYS  67          2HB       LYS  67  -5.686  -2.399 -11.255
  436   1HG   LYS  67          2HG       LYS  67  -8.127  -0.815 -10.470
  437   1HD   LYS  67          2HD       LYS  67  -8.488  -2.269 -12.442
  438   1HE   LYS  67          2HE       LYS  67  -6.243  -2.415 -13.314
  439   1HZ   LYS  67          1HZ       LYS  67  -5.149  -0.461 -12.997
  440   2HZ   LYS  67          2HZ       LYS  67  -6.461   0.509 -13.468
  441   3HZ   LYS  67          3HZ       LYS  67  -5.540  -0.303 -14.638
  442    H    PHE  68           H        PHE  68  -6.459   0.296  -8.084
  443    HA   PHE  68           HA       PHE  68  -8.899  -0.704  -6.787
  444   1HB   PHE  68          2HB       PHE  68  -6.744   1.054  -5.628
  445    HD1  PHE  68           1HD      PHE  68  -5.766  -1.444  -6.029
  446    HD2  PHE  68           2HD      PHE  68  -8.676  -0.312  -3.138
  447    HE1  PHE  68           1HE      PHE  68  -5.189  -3.414  -4.677
  448    HE2  PHE  68           2HE      PHE  68  -8.097  -2.278  -1.780
  449    HZ   PHE  68           HZ       PHE  68  -6.351  -3.831  -2.550
  450    H    LYS  69           H        LYS  69 -10.628   0.601  -6.778
  451    HA   LYS  69           HA       LYS  69 -10.464   2.839  -8.647
  452   1HB   LYS  69          2HB       LYS  69 -11.979   1.050  -9.271
  453   1HG   LYS  69          2HG       LYS  69 -13.797   3.195  -8.229
  454   1HD   LYS  69          2HD       LYS  69 -14.795   1.209  -9.325
  455   1HE   LYS  69          2HE       LYS  69 -13.350   2.174 -11.788
  456   1HZ   LYS  69          1HZ       LYS  69 -14.205   0.153 -12.762
  457   2HZ   LYS  69          2HZ       LYS  69 -15.493   1.095 -12.184
  458   3HZ   LYS  69          3HZ       LYS  69 -14.978  -0.266 -11.313
  459    H    ARG  70           H        ARG  70 -10.178   4.675  -7.694
  460    HA   ARG  70           HA       ARG  70 -11.233   5.265  -5.052
  461   1HB   ARG  70          2HB       ARG  70  -8.962   5.952  -5.571
  462   1HG   ARG  70          2HG       ARG  70  -8.980   8.329  -5.159
  463   1HD   ARG  70          2HD       ARG  70 -11.224   6.991  -3.671
  464    HE   ARG  70           HE       ARG  70 -11.291   9.009  -2.605
  465   1HH1  ARG  70          2HH1      ARG  70  -7.951   8.443  -3.561
  466   2HH1  ARG  70          1HH1      ARG  70  -7.356   9.850  -2.733
  467   1HH2  ARG  70          2HH2      ARG  70 -10.520  10.844  -1.573
  468   2HH2  ARG  70          1HH2      ARG  70  -8.814  11.209  -1.584
  469    H    VAL  71           H        VAL  71 -13.461   5.060  -5.821
  470    HA   VAL  71           HA       VAL  71 -14.544   6.629  -7.862
  471    HB   VAL  71           HB       VAL  71 -16.763   6.232  -6.697
  472   1HG1  VAL  71          1HG1      VAL  71 -16.893   4.061  -7.493
  473   2HG1  VAL  71          2HG1      VAL  71 -15.516   4.711  -8.383
  474   3HG1  VAL  71          3HG1      VAL  71 -15.251   3.666  -6.988
  475   1HG2  VAL  71          1HG2      VAL  71 -16.857   4.770  -4.813
  476   2HG2  VAL  71          2HG2      VAL  71 -15.115   4.500  -4.858
  477   3HG2  VAL  71          3HG2      VAL  71 -15.751   6.082  -4.404
  478    H    ASP  72           H        ASP  72 -14.075   7.304  -4.478
  479    HA   ASP  72           HA       ASP  72 -15.594   9.604  -4.169
  480   1HB   ASP  72          2HB       ASP  72 -14.724   8.808  -2.183
  481    H    ASN  73           H        ASN  73 -12.286   9.260  -5.390
  482    HA   ASN  73           HA       ASN  73 -12.122  12.149  -5.759
  483   1HB   ASN  73          2HB       ASN  73 -10.253  10.731  -4.729
  484   1HD2  ASN  73          1HD2      ASN  73 -11.092  13.377  -6.202
  485   2HD2  ASN  73          2HD2      ASN  73  -9.567  14.175  -6.375
  486    H    GLY  74           H        GLY  74 -11.887   9.170  -7.712
  487   1HA   GLY  74          1HA       GLY  74 -12.835  10.627 -10.012
  488   2HA   GLY  74          2HA       GLY  74 -11.148  10.161 -10.128
  489    H    LYS  75           H        LYS  75 -10.668   7.795  -9.907
  490    HA   LYS  75           HA       LYS  75 -12.790   5.924 -10.206
  491   1HB   LYS  75          2HB       LYS  75 -12.731   5.419 -12.478
  492   1HG   LYS  75          2HG       LYS  75 -10.222   7.062 -12.709
  493   1HD   LYS  75          2HD       LYS  75 -12.090   5.999 -14.807
  494   1HE   LYS  75          2HE       LYS  75 -10.209   6.712 -16.398
  495   1HZ   LYS  75          1HZ       LYS  75  -9.291   4.300 -15.061
  496   2HZ   LYS  75          2HZ       LYS  75  -9.719   4.553 -16.682
  497   3HZ   LYS  75          3HZ       LYS  75 -10.925   4.300 -15.519
  498    H    GLU  76           H        GLU  76  -9.342   6.609 -10.310
  499    HA   GLU  76           HA       GLU  76  -8.852   3.844  -9.542
  500   1HB   GLU  76          2HB       GLU  76  -7.795   5.109 -12.050
  501   1HG   GLU  76          2HG       GLU  76  -8.794   2.338 -11.436
  502    H    LEU  77           H        LEU  77  -7.646   3.894  -7.862
  503    HA   LEU  77           HA       LEU  77  -5.313   5.627  -7.854
  504   1HB   LEU  77          2HB       LEU  77  -6.906   6.641  -6.306
  505    HG   LEU  77           HG       LEU  77  -4.721   5.224  -4.766
  506   1HD1  LEU  77          1HD1      LEU  77  -4.036   6.672  -6.719
  507   2HD1  LEU  77          2HD1      LEU  77  -4.705   8.035  -5.822
  508   3HD1  LEU  77          3HD1      LEU  77  -3.362   7.111  -5.149
  509   1HD2  LEU  77          1HD2      LEU  77  -6.500   6.079  -3.313
  510   2HD2  LEU  77          2HD2      LEU  77  -4.996   6.977  -3.110
  511   3HD2  LEU  77          3HD2      LEU  77  -6.321   7.675  -4.042
  512    H    ILE  78           H        ILE  78  -3.840   4.166  -8.269
  513    HA   ILE  78           HA       ILE  78  -4.057   1.504  -7.034
  514    HB   ILE  78           HB       ILE  78  -2.469   2.258  -9.489
  515   1HG1  ILE  78          2HG1      ILE  78  -5.252   1.086  -9.511
  516   1HG2  ILE  78          1HG2      ILE  78  -3.532  -0.373  -9.545
  517   2HG2  ILE  78          2HG2      ILE  78  -1.844   0.131  -9.458
  518   3HG2  ILE  78          3HG2      ILE  78  -2.766  -0.122  -7.977
  519   1HD1  ILE  78          1HD1      ILE  78  -3.797   2.547 -11.690
  520   2HD1  ILE  78          2HD1      ILE  78  -3.804   0.790 -11.523
  521   3HD1  ILE  78          3HD1      ILE  78  -5.315   1.655 -11.802
  522    H    ALA  79           H        ALA  79  -2.188   0.453  -6.261
  523    HA   ALA  79           HA       ALA  79   0.222   2.127  -6.007
  524   1HB   ALA  79          1HB       ALA  79  -0.328   0.169  -3.838
  525   2HB   ALA  79          2HB       ALA  79   0.484   1.735  -3.776
  526   3HB   ALA  79          3HB       ALA  79  -1.276   1.656  -3.836
  527    H    VAL  80           H        VAL  80   1.819   1.151  -7.059
  528    HA   VAL  80           HA       VAL  80   1.905  -1.791  -7.149
  529    HB   VAL  80           HB       VAL  80   2.247   0.058  -9.524
  530   1HG1  VAL  80          1HG1      VAL  80   3.347  -1.534 -10.617
  531   2HG1  VAL  80          2HG1      VAL  80   3.529  -2.363  -9.071
  532   3HG1  VAL  80          3HG1      VAL  80   2.179  -2.764 -10.133
  533   1HG2  VAL  80          1HG2      VAL  80   0.311  -0.994 -10.450
  534   2HG2  VAL  80          2HG2      VAL  80   0.238  -2.150  -9.117
  535   3HG2  VAL  80          3HG2      VAL  80  -0.099  -0.443  -8.825
  536    H    ARG  81           H        ARG  81   3.846  -2.547  -6.558
  537    HA   ARG  81           HA       ARG  81   6.249  -1.377  -7.491
  538   1HB   ARG  81          2HB       ARG  81   5.523   0.114  -5.508
  539   1HG   ARG  81          2HG       ARG  81   7.871   0.212  -4.621
  540   1HD   ARG  81          2HD       ARG  81   7.233   0.326  -7.543
  541    HE   ARG  81           HE       ARG  81   9.878   0.298  -6.519
  542   1HH1  ARG  81          2HH1      ARG  81   7.812   2.071  -8.729
  543   2HH1  ARG  81          1HH1      ARG  81   9.125   2.591  -9.744
  544   1HH2  ARG  81          2HH2      ARG  81  11.606   0.987  -7.844
  545   2HH2  ARG  81          1HH2      ARG  81  11.275   1.934  -9.263
  546    H    GLU  82           H        GLU  82   8.130  -2.570  -6.925
  547    HA   GLU  82           HA       GLU  82   7.537  -5.248  -5.866
  548   1HB   GLU  82          2HB       GLU  82   9.695  -5.844  -7.168
  549   1HG   GLU  82          2HG       GLU  82   9.663  -4.465  -9.366
  550    H    ILE  83           H        ILE  83   9.411  -6.243  -4.706
  551    HA   ILE  83           HA       ILE  83  10.607  -4.185  -2.964
  552    HB   ILE  83           HB       ILE  83  10.659  -7.169  -2.492
  553   1HG1  ILE  83          2HG1      ILE  83   8.317  -6.627  -2.792
  554   1HG2  ILE  83          1HG2      ILE  83  11.595  -6.665  -0.540
  555   2HG2  ILE  83          2HG2      ILE  83  11.812  -5.033  -1.171
  556   3HG2  ILE  83          3HG2      ILE  83  10.393  -5.421  -0.199
  557   1HD1  ILE  83          1HD1      ILE  83   7.173  -5.012  -1.354
  558   2HD1  ILE  83          2HD1      ILE  83   8.737  -4.442  -0.774
  559   3HD1  ILE  83          3HD1      ILE  83   8.301  -4.242  -2.471
  560    H    SER  84           H        SER  84  12.744  -3.759  -3.170
  561    HA   SER  84           HA       SER  84  14.438  -5.755  -4.530
  562   1HB   SER  84          2HB       SER  84  14.055  -3.510  -5.684
  563    HG   SER  84           HG       SER  84  15.942  -4.924  -5.990
  564    H    GLY  85           H        GLY  85  16.072  -6.615  -3.364
  565   1HA   GLY  85          1HA       GLY  85  17.465  -7.032  -1.578
  566   2HA   GLY  85          2HA       GLY  85  17.605  -5.285  -1.395
  567    H    ASN  86           H        ASN  86  16.853  -4.451   0.385
  568    HA   ASN  86           HA       ASN  86  14.293  -5.366   1.266
  569   1HB   ASN  86          2HB       ASN  86  14.829  -5.262   3.712
  570   1HD2  ASN  86          1HD2      ASN  86  17.377  -3.983   2.081
  571   2HD2  ASN  86          2HD2      ASN  86  18.605  -4.178   3.284
  572    H    GLU  87           H        GLU  87  13.515  -3.594   0.429
  573    HA   GLU  87           HA       GLU  87  13.305  -1.341   2.075
  574   1HB   GLU  87          2HB       GLU  87  14.181   0.371   0.505
  575   1HG   GLU  87          2HG       GLU  87  15.353  -1.982  -0.951
  576    H    LEU  88           H        LEU  88  11.444  -0.210   1.512
  577    HA   LEU  88           HA       LEU  88  10.032  -1.338  -0.800
  578   1HB   LEU  88          2HB       LEU  88   8.965  -1.946   1.286
  579    HG   LEU  88           HG       LEU  88   7.474   0.121  -0.306
  580   1HD1  LEU  88          1HD1      LEU  88   6.348  -2.493  -0.305
  581   2HD1  LEU  88          2HD1      LEU  88   6.992  -1.550  -1.649
  582   3HD1  LEU  88          3HD1      LEU  88   8.063  -2.585  -0.705
  583   1HD2  LEU  88          1HD2      LEU  88   5.746   0.152   1.103
  584   2HD2  LEU  88          2HD2      LEU  88   5.821  -1.592   1.350
  585   3HD2  LEU  88          3HD2      LEU  88   6.849  -0.521   2.304
  586    H    ILE  89           H        ILE  89   9.523  -0.049  -2.358
  587    HA   ILE  89           HA       ILE  89   9.399   2.850  -1.905
  588    HB   ILE  89           HB       ILE  89   9.768   1.341  -4.514
  589   1HG1  ILE  89          2HG1      ILE  89  11.938   2.781  -4.515
  590   1HG2  ILE  89          1HG2      ILE  89   8.453   3.292  -4.934
  591   2HG2  ILE  89          2HG2      ILE  89   9.541   4.297  -3.977
  592   3HG2  ILE  89          3HG2      ILE  89  10.092   3.604  -5.504
  593   1HD1  ILE  89          1HD1      ILE  89  12.240   0.750  -2.402
  594   2HD1  ILE  89          2HD1      ILE  89  11.616   0.192  -3.955
  595   3HD1  ILE  89          3HD1      ILE  89  13.174   1.015  -3.874
  596    H    GLN  90           H        GLN  90   7.441   3.869  -2.620
  597    HA   GLN  90           HA       GLN  90   5.301   1.958  -3.288
  598   1HB   GLN  90          2HB       GLN  90   5.364   2.685  -0.861
  599   1HG   GLN  90          2HG       GLN  90   2.997   3.124  -0.643
  600   1HE2  GLN  90          1HE2      GLN  90   2.587   1.124  -0.037
  601   2HE2  GLN  90          2HE2      GLN  90   2.530  -0.253  -1.087
  602    H    THR  91           H        THR  91   4.380   2.449  -5.133
  603    HA   THR  91           HA       THR  91   4.444   5.230  -6.082
  604    HB   THR  91           HB       THR  91   3.548   3.097  -7.923
  605    HG1  THR  91           1HG      THR  91   5.254   1.894  -7.560
  606   1HG2  THR  91          1HG2      THR  91   4.883   4.350  -9.514
  607   2HG2  THR  91          2HG2      THR  91   5.577   5.319  -8.214
  608   3HG2  THR  91          3HG2      THR  91   3.860   5.455  -8.594
  609    H    TYR  92           H        TYR  92   2.624   6.335  -6.145
  610    HA   TYR  92           HA       TYR  92   0.065   4.906  -5.993
  611   1HB   TYR  92          2HB       TYR  92   0.835   7.719  -5.217
  612    HD1  TYR  92           1HD      TYR  92  -1.971   6.924  -3.488
  613    HD2  TYR  92           2HD      TYR  92   2.117   5.767  -3.689
  614    HE1  TYR  92           1HE      TYR  92  -2.082   6.144  -1.159
  615    HE2  TYR  92           2HE      TYR  92   2.017   4.985  -1.362
  616    HH   TYR  92           HH       TYR  92   0.767   4.727   0.444
  617    H    THR  93           H        THR  93  -0.721   4.574  -7.921
  618    HA   THR  93           HA       THR  93  -0.322   6.591 -10.024
  619    HB   THR  93           HB       THR  93  -1.342   3.772 -10.390
  620    HG1  THR  93           1HG      THR  93   1.029   4.439  -9.506
  621   1HG2  THR  93          1HG2      THR  93  -0.530   6.000 -12.160
  622   2HG2  THR  93          2HG2      THR  93  -1.697   4.705 -12.430
  623   3HG2  THR  93          3HG2      THR  93   0.029   4.395 -12.629
  624    H    TYR  94           H        TYR  94  -1.956   8.024  -9.920
  625    HA   TYR  94           HA       TYR  94  -4.680   6.998  -9.535
  626   1HB   TYR  94          2HB       TYR  94  -4.120   8.691  -7.928
  627    HD1  TYR  94           1HD      TYR  94  -4.836  11.632  -9.267
  628    HD2  TYR  94           2HD      TYR  94  -6.724   7.830  -8.850
  629    HE1  TYR  94           1HE      TYR  94  -7.033  12.713  -9.457
  630    HE2  TYR  94           2HE      TYR  94  -8.926   8.916  -9.030
  631    HH   TYR  94           HH       TYR  94  -9.224  12.437  -9.439
  632    H    GLU  95           H        GLU  95  -5.812   6.691 -11.253
  633    HA   GLU  95           HA       GLU  95  -6.823   6.892 -13.259
  634   1HB   GLU  95          2HB       GLU  95  -7.198   9.228 -12.392
  635   1HG   GLU  95          2HG       GLU  95  -6.911   9.014 -15.382
  636    H    GLY  96           H        GLY  96  -3.843   8.858 -13.619
  637   1HA   GLY  96          1HA       GLY  96  -2.663   6.917 -15.360
  638   2HA   GLY  96          2HA       GLY  96  -3.272   8.302 -16.254
  639    H    VAL  97           H        VAL  97  -1.912   8.402 -13.021
  640    HA   VAL  97           HA       VAL  97   0.624   9.428 -14.024
  641    HB   VAL  97           HB       VAL  97   0.624  11.297 -12.369
  642   1HG1  VAL  97          1HG1      VAL  97   0.231  12.418 -14.248
  643   2HG1  VAL  97          2HG1      VAL  97  -0.872  11.179 -14.847
  644   3HG1  VAL  97          3HG1      VAL  97  -1.466  12.444 -13.771
  645   1HG2  VAL  97          1HG2      VAL  97  -1.089  10.536 -10.850
  646   2HG2  VAL  97          2HG2      VAL  97  -1.551  12.104 -11.511
  647   3HG2  VAL  97          3HG2      VAL  97  -2.308  10.633 -12.121
  648    H    GLU  98           H        GLU  98   2.343   8.916 -12.684
  649    HA   GLU  98           HA       GLU  98   1.600   7.511 -10.210
  650   1HB   GLU  98          2HB       GLU  98   3.645   6.053 -10.655
  651   1HG   GLU  98          2HG       GLU  98   3.974   5.599 -13.118
  652    H    ALA  99           H        ALA  99   2.828   7.774  -8.441
  653    HA   ALA  99           HA       ALA  99   5.223   9.444  -8.559
  654   1HB   ALA  99          1HB       ALA  99   2.656  10.148  -7.218
  655   2HB   ALA  99          2HB       ALA  99   4.167  10.574  -6.416
  656   3HB   ALA  99          3HB       ALA  99   3.824  11.190  -8.031
  657    H    LYS 100           H        LYS 100   6.752   8.622  -7.235
  658    HA   LYS 100           HA       LYS 100   5.852   6.566  -5.329
  659   1HB   LYS 100          2HB       LYS 100   7.914   5.330  -5.857
  660   1HG   LYS 100          2HG       LYS 100   8.319   7.258  -8.127
  661   1HD   LYS 100          2HD       LYS 100   9.976   4.983  -7.046
  662   1HE   LYS 100          2HE       LYS 100  10.467   6.781  -9.416
  663   1HZ   LYS 100          1HZ       LYS 100  11.386   4.666  -9.844
  664   2HZ   LYS 100          2HZ       LYS 100  11.992   4.513  -8.266
  665   3HZ   LYS 100          3HZ       LYS 100  12.676   5.640  -9.331
  666    H    ARG 101           H        ARG 101   6.765   6.419  -3.372
  667    HA   ARG 101           HA       ARG 101   8.873   8.364  -2.698
  668   1HB   ARG 101          2HB       ARG 101   6.561   8.729  -1.629
  669   1HG   ARG 101          2HG       ARG 101   7.459   9.172   0.627
  670   1HD   ARG 101          2HD       ARG 101   9.219  10.744  -0.050
  671    HE   ARG 101           HE       ARG 101   6.636  10.788  -1.081
  672   1HH1  ARG 101          2HH1      ARG 101   9.775  12.146  -1.876
  673   2HH1  ARG 101          1HH1      ARG 101   9.102  13.557  -2.643
  674   1HH2  ARG 101          2HH2      ARG 101   5.770  12.630  -2.082
  675   2HH2  ARG 101          1HH2      ARG 101   6.823  13.837  -2.750
  676    H    ILE 102           H        ILE 102  10.632   7.536  -1.611
  677    HA   ILE 102           HA       ILE 102  10.778   4.618  -1.674
  678    HB   ILE 102           HB       ILE 102  12.991   6.670  -1.515
  679   1HG1  ILE 102          2HG1      ILE 102  12.017   4.998  -3.844
  680   1HG2  ILE 102          1HG2      ILE 102  13.198   4.135  -0.678
  681   2HG2  ILE 102          2HG2      ILE 102  13.531   3.904  -2.394
  682   3HG2  ILE 102          3HG2      ILE 102  14.523   5.011  -1.445
  683   1HD1  ILE 102          1HD1      ILE 102  14.509   6.349  -3.424
  684   2HD1  ILE 102          2HD1      ILE 102  13.980   5.362  -4.786
  685   3HD1  ILE 102          3HD1      ILE 102  13.618   7.087  -4.755
  686    H    PHE 103           H        PHE 103  10.894   3.418   0.079
  687    HA   PHE 103           HA       PHE 103  11.802   4.625   2.601
  688   1HB   PHE 103          2HB       PHE 103   9.638   2.521   2.433
  689    HD1  PHE 103           1HD      PHE 103   9.708   5.965   3.818
  690    HD2  PHE 103           2HD      PHE 103   7.902   3.248   1.086
  691    HE1  PHE 103           1HE      PHE 103   7.946   7.615   3.343
  692    HE2  PHE 103           2HE      PHE 103   6.142   4.895   0.603
  693    HZ   PHE 103           HZ       PHE 103   6.162   7.082   1.732
  694    H    LYS 104           H        LYS 104  12.479   2.870   4.174
  695    HA   LYS 104           HA       LYS 104  13.613   0.563   2.760
  696   1HB   LYS 104          2HB       LYS 104  15.668   0.888   4.274
  697   1HG   LYS 104          2HG       LYS 104  16.263   3.214   4.769
  698   1HD   LYS 104          2HD       LYS 104  13.688   2.513   6.168
  699   1HE   LYS 104          2HE       LYS 104  16.168   3.974   7.069
  700   1HZ   LYS 104          1HZ       LYS 104  13.677   3.296   8.534
  701   2HZ   LYS 104          2HZ       LYS 104  14.872   4.357   9.098
  702   3HZ   LYS 104          3HZ       LYS 104  15.233   2.718   8.873
  703    H    LYS 105           H        LYS 105  14.388  -1.148   4.333
  704    HA   LYS 105           HA       LYS 105  12.297  -1.793   6.140
  705   1HB   LYS 105          2HB       LYS 105  13.820  -3.426   4.949
  706   1HG   LYS 105          2HG       LYS 105  13.770  -3.831   7.932
  707   1HD   LYS 105          2HD       LYS 105  13.873  -5.711   5.578
  708   1HE   LYS 105          2HE       LYS 105  12.312  -6.524   7.318
  709   1HZ   LYS 105          1HZ       LYS 105  13.863  -5.438   9.153
  710   2HZ   LYS 105          2HZ       LYS 105  14.525  -6.998   9.163
  711   3HZ   LYS 105          3HZ       LYS 105  12.873  -6.778   9.480
  712    H    GLU 106           H        GLU 106  12.028  -1.270   8.222
  713    HA   GLU 106           HA       GLU 106  13.910   0.561   9.424
  714   1HB   GLU 106          2HB       GLU 106  11.444   0.908   9.516
  715   1HG   GLU 106          2HG       GLU 106  11.213   1.441  11.890
  Start of MODEL    3
    1   1H    ALA   1          1H        ALA   1   9.883 -12.278   2.341
    2   2H    ALA   1          2H        ALA   1  10.968 -12.889   3.493
    3   3H    ALA   1          3H        ALA   1  10.772 -11.216   3.320
    4    HA   ALA   1           HA       ALA   1   8.255 -12.305   3.800
    5   1HB   ALA   1          1HB       ALA   1  10.199 -13.939   4.922
    6   2HB   ALA   1          2HB       ALA   1   9.660 -12.912   6.252
    7   3HB   ALA   1          3HB       ALA   1   8.490 -13.878   5.352
    8    H    PHE   2           H        PHE   2   7.153 -10.769   4.896
    9    HA   PHE   2           HA       PHE   2   8.672  -8.462   5.793
   10   1HB   PHE   2          2HB       PHE   2   5.712  -8.885   5.365
   11    HD1  PHE   2           1HD      PHE   2   7.233  -5.737   4.635
   12    HD2  PHE   2           2HD      PHE   2   6.398  -9.594   3.045
   13    HE1  PHE   2           1HE      PHE   2   7.551  -4.862   2.357
   14    HE2  PHE   2           2HE      PHE   2   6.718  -8.731   0.766
   15    HZ   PHE   2           HZ       PHE   2   7.298  -6.363   0.419
   16    H    ASP   3           H        ASP   3   5.713  -8.623   7.348
   17    HA   ASP   3           HA       ASP   3   5.129  -8.604   9.523
   18   1HB   ASP   3          2HB       ASP   3   5.449 -11.056   9.314
   19    H    GLY   4           H        GLY   4   6.567  -6.595   9.014
   20   1HA   GLY   4          1HA       GLY   4   8.197  -6.083  11.333
   21   2HA   GLY   4          2HA       GLY   4   9.110  -6.209   9.834
   22    H    THR   5           H        THR   5   9.161  -3.861  11.220
   23    HA   THR   5           HA       THR   5   7.263  -2.106   9.841
   24    HB   THR   5           HB       THR   5   8.086  -0.348  11.398
   25    HG1  THR   5           1HG      THR   5   9.948  -0.752  12.300
   26   1HG2  THR   5          1HG2      THR   5   6.914  -1.121  13.312
   27   2HG2  THR   5          2HG2      THR   5   7.244  -2.808  12.915
   28   3HG2  THR   5          3HG2      THR   5   6.142  -1.863  11.911
   29    H    TRP   6           H        TRP   6   7.887  -0.963   8.149
   30    HA   TRP   6           HA       TRP   6  10.777  -0.582   7.643
   31   1HB   TRP   6          2HB       TRP   6   8.671  -1.145   5.528
   32    HD1  TRP   6           HD       TRP   6   9.207  -3.304   8.039
   33    HE1  TRP   6           1HE      TRP   6   9.786  -5.722   7.359
   34    HE3  TRP   6           3HE      TRP   6  10.737  -2.451   3.236
   35    HZ2  TRP   6           2HZ      TRP   6  10.750  -7.077   5.090
   36    HZ3  TRP   6           3HZ      TRP   6  11.463  -4.366   1.878
   37    HH2  TRP   6           HH       TRP   6  11.470  -6.631   2.785
   38    H    LYS   7           H        LYS   7  10.982   1.617   8.019
   39    HA   LYS   7           HA       LYS   7   9.614   3.438   6.306
   40   1HB   LYS   7          2HB       LYS   7   7.981   2.752   8.242
   41   1HG   LYS   7          2HG       LYS   7   6.967   4.965   8.313
   42   1HD   LYS   7          2HD       LYS   7   8.083   4.477   5.558
   43   1HE   LYS   7          2HE       LYS   7   6.681   6.501   5.885
   44   1HZ   LYS   7          1HZ       LYS   7   4.158   5.341   6.013
   45   2HZ   LYS   7          2HZ       LYS   7   4.873   6.391   7.133
   46   3HZ   LYS   7          3HZ       LYS   7   5.036   4.716   7.324
   47    H    VAL   8           H        VAL   8   9.998   5.746   6.962
   48    HA   VAL   8           HA       VAL   8  12.784   6.025   7.837
   49    HB   VAL   8           HB       VAL   8  10.995   7.955   6.329
   50   1HG1  VAL   8          1HG1      VAL   8  12.471   9.498   6.950
   51   2HG1  VAL   8          2HG1      VAL   8  13.573   8.291   7.611
   52   3HG1  VAL   8          3HG1      VAL   8  13.620   8.683   5.891
   53   1HG2  VAL   8          1HG2      VAL   8  12.565   5.703   5.451
   54   2HG2  VAL   8          2HG2      VAL   8  11.455   6.726   4.538
   55   3HG2  VAL   8          3HG2      VAL   8  13.144   7.200   4.722
   56    H    GLY   9           H        GLY   9  13.335   7.519   9.440
   57   1HA   GLY   9          1HA       GLY   9  11.839   7.556  11.702
   58   2HA   GLY   9          2HA       GLY   9  13.079   8.750  11.365
   59    H    GLY  10           H        GLY  10  10.256   8.654  12.616
   60   1HA   GLY  10          1HA       GLY  10   8.939  10.643  12.980
   61   2HA   GLY  10          2HA       GLY  10   9.298  11.131  11.326
   62    H    LEU  11           H        LEU  11   8.873   8.584  10.163
   63    HA   LEU  11           HA       LEU  11   5.931   8.382  10.353
   64   1HB   LEU  11          2HB       LEU  11   7.606   7.288   8.107
   65    HG   LEU  11           HG       LEU  11   8.184   9.647   8.063
   66   1HD1  LEU  11          1HD1      LEU  11   7.960   9.704   5.851
   67   2HD1  LEU  11          2HD1      LEU  11   7.022   8.217   6.006
   68   3HD1  LEU  11          3HD1      LEU  11   6.201   9.777   5.954
   69   1HD2  LEU  11          1HD2      LEU  11   6.806  11.277   8.673
   70   2HD2  LEU  11          2HD2      LEU  11   5.570  10.742   7.536
   71   3HD2  LEU  11          3HD2      LEU  11   5.651  10.034   9.148
   72    H    LYS  12           H        LYS  12   5.099   6.154   9.982
   73    HA   LYS  12           HA       LYS  12   6.980   4.033  10.641
   74   1HB   LYS  12          2HB       LYS  12   5.500   3.064  12.347
   75   1HG   LYS  12          2HG       LYS  12   3.941   5.633  12.173
   76   1HD   LYS  12          2HD       LYS  12   2.525   4.558  13.898
   77   1HE   LYS  12          2HE       LYS  12   5.417   4.926  14.665
   78   1HZ   LYS  12          1HZ       LYS  12   4.527   4.019  16.554
   79   2HZ   LYS  12          2HZ       LYS  12   2.973   4.625  16.270
   80   3HZ   LYS  12          3HZ       LYS  12   4.198   5.661  16.816
   81    H    LEU  13           H        LEU  13   6.351   1.998   9.953
   82    HA   LEU  13           HA       LEU  13   3.863   1.672   8.488
   83   1HB   LEU  13          2HB       LEU  13   5.754   2.788   7.023
   84    HG   LEU  13           HG       LEU  13   3.623   1.892   6.033
   85   1HD1  LEU  13          1HD1      LEU  13   6.023   1.328   4.311
   86   2HD1  LEU  13          2HD1      LEU  13   4.435   1.911   3.813
   87   3HD1  LEU  13          3HD1      LEU  13   5.507   2.959   4.741
   88   1HD2  LEU  13          1HD2      LEU  13   3.706  -0.286   4.918
   89   2HD2  LEU  13          2HD2      LEU  13   5.288  -0.593   5.637
   90   3HD2  LEU  13          3HD2      LEU  13   3.865  -0.449   6.667
   91    H    THR  14           H        THR  14   3.243  -0.409   8.592
   92    HA   THR  14           HA       THR  14   5.224  -2.445   9.312
   93    HB   THR  14           HB       THR  14   2.586  -2.198  10.752
   94    HG1  THR  14           1HG      THR  14   4.920  -0.773  11.106
   95   1HG2  THR  14          1HG2      THR  14   5.074  -3.836  11.079
   96   2HG2  THR  14          2HG2      THR  14   3.389  -4.358  11.068
   97   3HG2  THR  14          3HG2      THR  14   4.038  -3.507  12.469
   98    H    ILE  15           H        ILE  15   4.935  -4.240   8.147
   99    HA   ILE  15           HA       ILE  15   2.273  -4.703   6.963
  100    HB   ILE  15           HB       ILE  15   4.938  -5.510   5.810
  101   1HG1  ILE  15          2HG1      ILE  15   2.952  -3.411   4.900
  102   1HG2  ILE  15          1HG2      ILE  15   2.785  -6.949   5.461
  103   2HG2  ILE  15          2HG2      ILE  15   2.350  -5.666   4.332
  104   3HG2  ILE  15          3HG2      ILE  15   3.837  -6.585   4.093
  105   1HD1  ILE  15          1HD1      ILE  15   5.432  -4.464   3.611
  106   2HD1  ILE  15          2HD1      ILE  15   3.858  -4.117   2.894
  107   3HD1  ILE  15          3HD1      ILE  15   4.922  -2.794   3.369
  108    H    THR  16           H        THR  16   1.318  -6.432   7.756
  109    HA   THR  16           HA       THR  16   3.005  -8.575   8.858
  110    HB   THR  16           HB       THR  16   0.246  -7.857   9.867
  111    HG1  THR  16           1HG      THR  16   2.759  -7.027  10.965
  112   1HG2  THR  16          1HG2      THR  16   1.366 -10.130  10.325
  113   2HG2  THR  16          2HG2      THR  16   0.716  -9.236  11.699
  114   3HG2  THR  16          3HG2      THR  16   2.450  -9.224  11.379
  115    H    GLN  17           H        GLN  17   2.344 -10.720   8.458
  116    HA   GLN  17           HA       GLN  17  -0.105 -11.124   6.945
  117   1HB   GLN  17          2HB       GLN  17   1.824 -12.761   5.659
  118   1HG   GLN  17          2HG       GLN  17   2.929 -10.839   4.364
  119   1HE2  GLN  17          1HE2      GLN  17   3.085 -12.726   7.165
  120   2HE2  GLN  17          2HE2      GLN  17   4.807 -12.724   7.353
  121    H    GLU  18           H        GLU  18  -1.069 -13.004   7.268
  122    HA   GLU  18           HA       GLU  18   0.020 -14.815   9.270
  123   1HB   GLU  18          2HB       GLU  18  -2.621 -15.022   7.811
  124   1HG   GLU  18          2HG       GLU  18  -2.351 -12.777   8.907
  125    H    GLY  19           H        GLY  19  -1.797 -16.906   7.688
  126   1HA   GLY  19          1HA       GLY  19   0.316 -18.198   6.242
  127   2HA   GLY  19          2HA       GLY  19  -1.389 -18.637   6.216
  128    H    ASN  20           H        ASN  20  -2.433 -16.210   5.479
  129    HA   ASN  20           HA       ASN  20  -1.106 -14.947   3.382
  130   1HB   ASN  20          2HB       ASN  20  -2.600 -15.464   1.486
  131   1HD2  ASN  20          1HD2      ASN  20  -4.555 -15.957   0.841
  132   2HD2  ASN  20          2HD2      ASN  20  -5.627 -17.091   1.593
  133    H    LYS  21           H        LYS  21  -1.569 -13.162   4.447
  134    HA   LYS  21           HA       LYS  21  -4.088 -11.871   4.122
  135   1HB   LYS  21          2HB       LYS  21  -3.519 -13.233   6.687
  136   1HG   LYS  21          2HG       LYS  21  -6.064 -12.000   5.653
  137   1HD   LYS  21          2HD       LYS  21  -5.710 -14.131   7.745
  138   1HE   LYS  21          2HE       LYS  21  -7.994 -13.381   8.385
  139   1HZ   LYS  21          1HZ       LYS  21  -7.579 -15.271   6.796
  140   2HZ   LYS  21          2HZ       LYS  21  -7.964 -14.197   5.537
  141   3HZ   LYS  21          3HZ       LYS  21  -9.116 -14.561   6.727
  142    H    PHE  22           H        PHE  22  -3.109  -9.997   3.424
  143    HA   PHE  22           HA       PHE  22  -0.766  -9.099   4.940
  144   1HB   PHE  22          2HB       PHE  22  -1.685  -8.603   2.127
  145    HD1  PHE  22           1HD      PHE  22   1.514  -7.899   1.922
  146    HD2  PHE  22           2HD      PHE  22  -0.879 -11.259   2.974
  147    HE1  PHE  22           1HE      PHE  22   3.339  -9.405   1.253
  148    HE2  PHE  22           2HE      PHE  22   0.947 -12.768   2.316
  149    HZ   PHE  22           HZ       PHE  22   3.060 -11.844   1.454
  150    H    THR  23           H        THR  23  -0.701  -7.220   5.989
  151    HA   THR  23           HA       THR  23  -2.812  -5.259   5.509
  152    HB   THR  23           HB       THR  23  -3.474  -6.550   7.539
  153    HG1  THR  23           1HG      THR  23  -3.975  -4.276   7.269
  154   1HG2  THR  23          1HG2      THR  23  -0.911  -6.725   8.203
  155   2HG2  THR  23          2HG2      THR  23  -2.183  -6.740   9.423
  156   3HG2  THR  23          3HG2      THR  23  -1.296  -5.252   9.095
  157    H    VAL  24           H        VAL  24  -2.114  -3.184   5.549
  158    HA   VAL  24           HA       VAL  24   0.758  -2.788   6.104
  159    HB   VAL  24           HB       VAL  24  -0.945  -1.434   3.997
  160   1HG1  VAL  24          1HG1      VAL  24   1.334  -0.573   3.241
  161   2HG1  VAL  24          2HG1      VAL  24   0.630   0.172   4.675
  162   3HG1  VAL  24          3HG1      VAL  24   1.908  -1.032   4.843
  163   1HG2  VAL  24          1HG2      VAL  24   0.700  -2.581   2.447
  164   2HG2  VAL  24          2HG2      VAL  24   1.176  -3.558   3.835
  165   3HG2  VAL  24          3HG2      VAL  24  -0.482  -3.622   3.241
  166    H    LYS  25           H        LYS  25   1.233  -1.321   7.575
  167    HA   LYS  25           HA       LYS  25  -0.898   0.449   8.537
  168   1HB   LYS  25          2HB       LYS  25   0.236  -1.055  10.159
  169   1HG   LYS  25          2HG       LYS  25   0.876   1.848  10.631
  170   1HD   LYS  25          2HD       LYS  25   0.679  -0.488  12.530
  171   1HE   LYS  25          2HE       LYS  25   1.196   2.430  13.078
  172   1HZ   LYS  25          1HZ       LYS  25   1.301   1.772  15.378
  173   2HZ   LYS  25          2HZ       LYS  25   2.474   0.914  14.504
  174   3HZ   LYS  25          3HZ       LYS  25   1.038   0.143  14.973
  175    H    GLU  26           H        GLU  26  -0.895   2.373   7.610
  176    HA   GLU  26           HA       GLU  26   1.653   3.529   6.734
  177   1HB   GLU  26          2HB       GLU  26  -0.729   3.235   5.410
  178   1HG   GLU  26          2HG       GLU  26   1.346   3.730   4.270
  179    H    SER  27           H        SER  27   2.317   5.511   7.347
  180    HA   SER  27           HA       SER  27   0.716   7.312   8.886
  181   1HB   SER  27          2HB       SER  27   3.132   6.072  10.239
  182    HG   SER  27           HG       SER  27   0.705   5.158  10.171
  183    H    SER  28           H        SER  28   1.263   9.152   7.876
  184    HA   SER  28           HA       SER  28   4.069   9.834   7.563
  185   1HB   SER  28          2HB       SER  28   2.192   9.717   5.191
  186    HG   SER  28           HG       SER  28   2.864   7.693   5.286
  187    H    ASN  29           H        ASN  29   4.221  11.764   8.385
  188    HA   ASN  29           HA       ASN  29   4.020  13.975   8.754
  189   1HB   ASN  29          2HB       ASN  29   2.192  13.938   6.342
  190   1HD2  ASN  29          1HD2      ASN  29   4.734  16.067   6.181
  191   2HD2  ASN  29          2HD2      ASN  29   5.825  15.117   5.226
  192    H    PHE  30           H        PHE  30   0.792  12.765   7.870
  193    HA   PHE  30           HA       PHE  30  -0.274  13.468  10.449
  194   1HB   PHE  30          2HB       PHE  30  -2.154  14.844   9.305
  195    HD1  PHE  30           1HD      PHE  30  -1.326  13.316   6.814
  196    HD2  PHE  30           2HD      PHE  30  -0.675  17.336   8.041
  197    HE1  PHE  30           1HE      PHE  30  -1.173  14.007   4.462
  198    HE2  PHE  30           2HE      PHE  30  -0.525  18.032   5.690
  199    HZ   PHE  30           HZ       PHE  30  -0.774  16.368   3.895
  200    H    ARG  31           H        ARG  31   0.012  11.050   9.452
  201    HA   ARG  31           HA       ARG  31  -2.688  10.256   8.609
  202   1HB   ARG  31          2HB       ARG  31  -0.309  10.234   7.009
  203   1HG   ARG  31          2HG       ARG  31  -2.680   8.826   6.010
  204   1HD   ARG  31          2HD       ARG  31  -2.415  10.382   4.165
  205    HE   ARG  31           HE       ARG  31  -0.381   8.613   4.829
  206   1HH1  ARG  31          2HH1      ARG  31  -0.775  11.547   2.952
  207   2HH1  ARG  31          1HH1      ARG  31   0.488  11.143   1.826
  208   1HH2  ARG  31          2HH2      ARG  31   1.287   8.084   3.372
  209   2HH2  ARG  31          1HH2      ARG  31   1.678   9.191   2.075
  210    H    ASN  32           H        ASN  32  -3.387   8.314   9.293
  211    HA   ASN  32           HA       ASN  32  -1.612   6.355  10.431
  212   1HB   ASN  32          2HB       ASN  32  -1.989   7.924  12.350
  213   1HD2  ASN  32          1HD2      ASN  32  -4.461   6.173  13.585
  214   2HD2  ASN  32          2HD2      ASN  32  -3.571   4.838  14.244
  215    H    ILE  33           H        ILE  33  -2.379   4.809   9.129
  216    HA   ILE  33           HA       ILE  33  -5.139   3.921   9.382
  217    HB   ILE  33           HB       ILE  33  -5.441   5.653   7.767
  218   1HG1  ILE  33          2HG1      ILE  33  -5.241   2.977   6.371
  219   1HG2  ILE  33          1HG2      ILE  33  -2.822   4.773   6.804
  220   2HG2  ILE  33          2HG2      ILE  33  -3.970   5.172   5.526
  221   3HG2  ILE  33          3HG2      ILE  33  -3.574   6.367   6.761
  222   1HD1  ILE  33          1HD1      ILE  33  -6.331   3.741   4.574
  223   2HD1  ILE  33          2HD1      ILE  33  -7.269   4.907   5.505
  224   3HD1  ILE  33          3HD1      ILE  33  -5.611   5.281   5.038
  225    H    ASP  34           H        ASP  34  -5.404   1.778   8.853
  226    HA   ASP  34           HA       ASP  34  -3.038   0.401   7.753
  227   1HB   ASP  34          2HB       ASP  34  -5.250  -0.830   9.406
  228    H    VAL  35           H        VAL  35  -3.297  -0.962   6.048
  229    HA   VAL  35           HA       VAL  35  -5.995  -1.097   4.852
  230    HB   VAL  35           HB       VAL  35  -3.367  -1.196   3.350
  231   1HG1  VAL  35          1HG1      VAL  35  -6.048  -1.901   2.643
  232   2HG1  VAL  35          2HG1      VAL  35  -5.520  -0.529   1.668
  233   3HG1  VAL  35          3HG1      VAL  35  -4.575  -2.018   1.682
  234   1HG2  VAL  35          1HG2      VAL  35  -3.321   1.022   3.332
  235   2HG2  VAL  35          2HG2      VAL  35  -4.931   1.055   2.612
  236   3HG2  VAL  35          3HG2      VAL  35  -4.749   1.064   4.367
  237    H    VAL  36           H        VAL  36  -6.783  -3.109   4.998
  238    HA   VAL  36           HA       VAL  36  -4.857  -5.323   5.155
  239    HB   VAL  36           HB       VAL  36  -6.177  -5.017   7.200
  240   1HG1  VAL  36          1HG1      VAL  36  -8.194  -4.060   6.534
  241   2HG1  VAL  36          2HG1      VAL  36  -8.504  -5.317   5.338
  242   3HG1  VAL  36          3HG1      VAL  36  -8.639  -5.684   7.058
  243   1HG2  VAL  36          1HG2      VAL  36  -5.950  -7.205   7.458
  244   2HG2  VAL  36          2HG2      VAL  36  -7.445  -7.472   6.562
  245   3HG2  VAL  36          3HG2      VAL  36  -5.904  -7.414   5.707
  246    H    PHE  37           H        PHE  37  -4.971  -6.973   3.756
  247    HA   PHE  37           HA       PHE  37  -7.270  -7.394   2.051
  248   1HB   PHE  37          2HB       PHE  37  -5.836  -7.015  -0.036
  249    HD1  PHE  37           1HD      PHE  37  -3.468  -7.744   0.195
  250    HD2  PHE  37           2HD      PHE  37  -4.850  -4.048   1.790
  251    HE1  PHE  37           1HE      PHE  37  -1.150  -6.951   0.369
  252    HE2  PHE  37           2HE      PHE  37  -2.531  -3.252   1.960
  253    HZ   PHE  37           HZ       PHE  37  -0.677  -4.704   1.251
  254    H    GLU  38           H        GLU  38  -7.221  -9.314   0.945
  255    HA   GLU  38           HA       GLU  38  -4.998 -11.117   1.602
  256   1HB   GLU  38          2HB       GLU  38  -7.881 -11.713   0.919
  257   1HG   GLU  38          2HG       GLU  38  -6.264 -12.380   3.370
  258    H    LEU  39           H        LEU  39  -4.015 -12.263  -0.029
  259    HA   LEU  39           HA       LEU  39  -3.652 -10.895  -2.401
  260   1HB   LEU  39          2HB       LEU  39  -3.026 -13.789  -1.806
  261    HG   LEU  39           HG       LEU  39  -1.441 -11.287  -1.342
  262   1HD1  LEU  39          1HD1      LEU  39  -1.020 -12.210   0.784
  263   2HD1  LEU  39          2HD1      LEU  39  -2.734 -12.487   0.473
  264   3HD1  LEU  39          3HD1      LEU  39  -1.581 -13.807   0.287
  265   1HD2  LEU  39          1HD2      LEU  39   0.402 -13.236  -0.999
  266   2HD2  LEU  39          2HD2      LEU  39  -0.467 -13.846  -2.409
  267   3HD2  LEU  39          3HD2      LEU  39   0.265 -12.241  -2.448
  268    H    GLY  40           H        GLY  40  -4.728 -10.774  -4.232
  269   1HA   GLY  40          1HA       GLY  40  -6.011 -11.366  -6.044
  270   2HA   GLY  40          2HA       GLY  40  -5.977 -13.025  -5.468
  271    H    VAL  41           H        VAL  41  -7.198 -10.193  -3.732
  272    HA   VAL  41           HA       VAL  41  -9.927 -11.230  -4.104
  273    HB   VAL  41           HB       VAL  41  -8.866 -10.196  -1.463
  274   1HG1  VAL  41          1HG1      VAL  41 -10.971 -10.843  -0.532
  275   2HG1  VAL  41          2HG1      VAL  41 -11.292  -9.837  -1.945
  276   3HG1  VAL  41          3HG1      VAL  41 -11.472 -11.587  -2.052
  277   1HG2  VAL  41          1HG2      VAL  41  -9.075 -12.510  -0.660
  278   2HG2  VAL  41          2HG2      VAL  41  -9.454 -13.030  -2.301
  279   3HG2  VAL  41          3HG2      VAL  41  -7.867 -12.354  -1.936
  280    H    ASP  42           H        ASP  42 -11.536  -9.639  -4.075
  281    HA   ASP  42           HA       ASP  42 -10.545  -6.930  -4.635
  282   1HB   ASP  42          2HB       ASP  42 -13.237  -8.181  -5.270
  283    H    PHE  43           H        PHE  43 -11.187  -5.212  -3.417
  284    HA   PHE  43           HA       PHE  43 -13.092  -5.747  -1.239
  285   1HB   PHE  43          2HB       PHE  43 -10.522  -4.170  -0.987
  286    HD1  PHE  43           1HD      PHE  43 -11.473  -6.482   1.554
  287    HD2  PHE  43           2HD      PHE  43  -9.250  -6.085  -2.048
  288    HE1  PHE  43           1HE      PHE  43 -10.194  -8.501   2.123
  289    HE2  PHE  43           2HE      PHE  43  -7.970  -8.093  -1.493
  290    HZ   PHE  43           HZ       PHE  43  -8.443  -9.313   0.599
  291    H    ALA  44           H        ALA  44 -14.259  -3.939  -0.504
  292    HA   ALA  44           HA       ALA  44 -13.861  -1.445  -1.956
  293   1HB   ALA  44          1HB       ALA  44 -15.548  -2.216  -3.335
  294   2HB   ALA  44          2HB       ALA  44 -16.351  -3.102  -2.038
  295   3HB   ALA  44          3HB       ALA  44 -16.471  -1.343  -2.111
  296    H    TYR  45           H        TYR  45 -13.427  -0.131  -0.286
  297    HA   TYR  45           HA       TYR  45 -15.361   0.214   1.819
  298   1HB   TYR  45          2HB       TYR  45 -13.632  -0.139   3.632
  299    HD1  TYR  45           1HD      TYR  45 -12.689  -3.229   2.517
  300    HD2  TYR  45           2HD      TYR  45 -11.434   0.827   2.291
  301    HE1  TYR  45           1HE      TYR  45 -10.383  -3.975   2.131
  302    HE2  TYR  45           2HE      TYR  45  -9.123   0.094   1.893
  303    HH   TYR  45           HH       TYR  45  -8.268  -3.367   1.857
  304    H    SER  46           H        SER  46 -14.584   1.897   3.416
  305    HA   SER  46           HA       SER  46 -13.314   4.012   1.851
  306   1HB   SER  46          2HB       SER  46 -15.466   4.663   2.651
  307    HG   SER  46           HG       SER  46 -13.939   5.760   4.720
  308    H    LEU  47           H        LEU  47 -11.361   4.600   2.257
  309    HA   LEU  47           HA       LEU  47 -10.064   3.796   4.761
  310   1HB   LEU  47          2HB       LEU  47  -8.981   4.513   2.040
  311    HG   LEU  47           HG       LEU  47  -9.703   2.132   2.380
  312   1HD1  LEU  47          1HD1      LEU  47  -7.138   3.145   1.476
  313   2HD1  LEU  47          2HD1      LEU  47  -7.054   1.455   1.973
  314   3HD1  LEU  47          3HD1      LEU  47  -8.207   1.954   0.735
  315   1HD2  LEU  47          1HD2      LEU  47  -7.635   2.333   4.544
  316   2HD2  LEU  47          2HD2      LEU  47  -9.263   1.655   4.622
  317   3HD2  LEU  47          3HD2      LEU  47  -7.989   0.796   3.754
  318    H    ALA  48           H        ALA  48  -9.175   5.276   6.098
  319    HA   ALA  48           HA       ALA  48  -8.863   7.265   7.141
  320   1HB   ALA  48          1HB       ALA  48  -7.132   8.043   5.962
  321   2HB   ALA  48          2HB       ALA  48  -7.888   7.655   4.415
  322   3HB   ALA  48          3HB       ALA  48  -8.304   9.153   5.250
  323    H    ASP  49           H        ASP  49 -11.539   6.571   6.276
  324    HA   ASP  49           HA       ASP  49 -13.642   7.425   6.211
  325   1HB   ASP  49          2HB       ASP  49 -12.175   9.596   7.706
  326    H    GLY  50           H        GLY  50 -12.377   7.797   3.773
  327   1HA   GLY  50          1HA       GLY  50 -13.932   9.947   2.715
  328   2HA   GLY  50          2HA       GLY  50 -12.225  10.354   2.749
  329    H    THR  51           H        THR  51 -10.878   8.241   1.915
  330    HA   THR  51           HA       THR  51 -11.627   8.079  -0.848
  331    HB   THR  51           HB       THR  51  -9.613   6.769  -1.173
  332    HG1  THR  51           1HG      THR  51  -9.880   5.535   0.829
  333   1HG2  THR  51          1HG2      THR  51  -7.917   8.275  -0.149
  334   2HG2  THR  51          2HG2      THR  51  -9.209   9.022   0.792
  335   3HG2  THR  51          3HG2      THR  51  -9.223   9.129  -0.968
  336    H    GLU  52           H        GLU  52 -13.087   6.681  -1.636
  337    HA   GLU  52           HA       GLU  52 -13.545   4.191  -0.153
  338   1HB   GLU  52          2HB       GLU  52 -15.383   5.690  -2.032
  339   1HG   GLU  52          2HG       GLU  52 -15.489   5.229   0.940
  340    H    LEU  53           H        LEU  53 -12.105   2.877  -1.019
  341    HA   LEU  53           HA       LEU  53 -11.817   2.866  -3.917
  342   1HB   LEU  53          2HB       LEU  53 -10.082   1.976  -1.647
  343    HG   LEU  53           HG       LEU  53  -9.524   3.700  -4.061
  344   1HD1  LEU  53          1HD1      LEU  53  -9.402   4.406  -1.143
  345   2HD1  LEU  53          2HD1      LEU  53  -9.231   5.487  -2.526
  346   3HD1  LEU  53          3HD1      LEU  53 -10.790   4.736  -2.180
  347   1HD2  LEU  53          1HD2      LEU  53  -7.282   3.940  -3.233
  348   2HD2  LEU  53          2HD2      LEU  53  -7.642   2.914  -1.843
  349   3HD2  LEU  53          3HD2      LEU  53  -7.624   2.226  -3.468
  350    H    THR  54           H        THR  54 -12.454   1.267  -5.165
  351    HA   THR  54           HA       THR  54 -13.087  -1.356  -3.963
  352    HB   THR  54           HB       THR  54 -14.087  -0.367  -6.635
  353    HG1  THR  54           1HG      THR  54 -14.982   0.226  -4.092
  354   1HG2  THR  54          1HG2      THR  54 -14.838  -2.452  -6.848
  355   2HG2  THR  54          2HG2      THR  54 -15.814  -2.242  -5.395
  356   3HG2  THR  54          3HG2      THR  54 -14.172  -2.871  -5.269
  357    H    GLY  55           H        GLY  55 -11.356  -2.676  -4.324
  358   1HA   GLY  55          1HA       GLY  55 -10.409  -3.044  -7.007
  359   2HA   GLY  55          2HA       GLY  55  -9.264  -2.168  -6.009
  360    H    THR  56           H        THR  56  -8.563  -4.498  -7.158
  361    HA   THR  56           HA       THR  56  -8.560  -6.414  -4.926
  362    HB   THR  56           HB       THR  56  -9.504  -7.335  -7.015
  363    HG1  THR  56           1HG      THR  56  -8.156  -8.600  -5.502
  364   1HG2  THR  56          1HG2      THR  56  -8.620  -6.868  -9.004
  365   2HG2  THR  56          2HG2      THR  56  -7.134  -7.701  -8.543
  366   3HG2  THR  56          3HG2      THR  56  -7.317  -5.976  -8.219
  367    H    TRP  57           H        TRP  57  -6.608  -7.223  -4.205
  368    HA   TRP  57           HA       TRP  57  -4.199  -5.859  -5.214
  369   1HB   TRP  57          2HB       TRP  57  -4.895  -5.319  -2.840
  370    HD1  TRP  57           HD       TRP  57  -1.999  -7.849  -2.603
  371    HE1  TRP  57           1HE      TRP  57   0.193  -6.545  -2.275
  372    HE3  TRP  57           3HE      TRP  57  -3.788  -3.092  -3.159
  373    HZ2  TRP  57           2HZ      TRP  57   1.053  -3.857  -2.251
  374    HZ3  TRP  57           3HZ      TRP  57  -2.219  -1.211  -2.966
  375    HH2  TRP  57           HH       TRP  57   0.152  -1.585  -2.522
  376    H    THR  58           H        THR  58  -2.488  -7.107  -5.830
  377    HA   THR  58           HA       THR  58  -2.552  -9.969  -5.195
  378    HB   THR  58           HB       THR  58  -1.834 -10.478  -7.551
  379    HG1  THR  58           1HG      THR  58  -1.382  -8.141  -7.968
  380   1HG2  THR  58          1HG2      THR  58  -4.529  -9.706  -6.681
  381   2HG2  THR  58          2HG2      THR  58  -3.966 -11.187  -7.456
  382   3HG2  THR  58          3HG2      THR  58  -4.308  -9.757  -8.431
  383    H    MET  59           H        MET  59  -0.581 -10.816  -4.782
  384    HA   MET  59           HA       MET  59   1.738  -9.058  -5.257
  385   1HB   MET  59          2HB       MET  59   1.328  -9.581  -2.864
  386   1HG   MET  59          2HG       MET  59   3.808 -10.927  -3.934
  387   1HE   MET  59          1HE       MET  59   5.972 -10.517  -2.522
  388   2HE   MET  59          2HE       MET  59   5.650  -9.053  -1.592
  389   3HE   MET  59          3HE       MET  59   6.014 -10.563  -0.758
  390    H    GLU  60           H        GLU  60   2.809  -9.663  -6.981
  391    HA   GLU  60           HA       GLU  60   2.915 -12.523  -7.676
  392   1HB   GLU  60          2HB       GLU  60   3.659 -10.129  -9.374
  393   1HG   GLU  60          2HG       GLU  60   1.245 -10.151  -8.943
  394    H    GLY  61           H        GLY  61   4.613 -13.383  -6.617
  395   1HA   GLY  61          1HA       GLY  61   6.789 -13.732  -5.948
  396   2HA   GLY  61          2HA       GLY  61   7.292 -12.574  -7.176
  397    H    ASN  62           H        ASN  62   8.247 -10.850  -6.414
  398    HA   ASN  62           HA       ASN  62   7.492  -9.846  -3.750
  399   1HB   ASN  62          2HB       ASN  62   9.686  -8.656  -3.741
  400   1HD2  ASN  62          1HD2      ASN  62  11.321 -11.152  -5.066
  401   2HD2  ASN  62          2HD2      ASN  62  11.879 -10.400  -6.524
  402    H    LYS  63           H        LYS  63   5.874  -9.330  -5.904
  403    HA   LYS  63           HA       LYS  63   6.305  -6.460  -6.297
  404   1HB   LYS  63          2HB       LYS  63   5.354  -8.478  -8.296
  405   1HG   LYS  63          2HG       LYS  63   6.508  -6.786  -9.837
  406   1HD   LYS  63          2HD       LYS  63   8.763  -7.684  -9.293
  407   1HE   LYS  63          2HE       LYS  63   8.206 -10.035  -9.638
  408   1HZ   LYS  63          1HZ       LYS  63   6.078  -8.893 -11.203
  409   2HZ   LYS  63          2HZ       LYS  63   7.500  -9.664 -11.709
  410   3HZ   LYS  63          3HZ       LYS  63   7.527  -8.019 -11.303
  411    H    LEU  64           H        LEU  64   4.766  -5.238  -5.613
  412    HA   LEU  64           HA       LEU  64   2.301  -6.490  -4.627
  413   1HB   LEU  64          2HB       LEU  64   3.878  -4.059  -3.796
  414    HG   LEU  64           HG       LEU  64   4.661  -6.344  -3.015
  415   1HD1  LEU  64          1HD1      LEU  64   5.581  -5.087  -1.424
  416   2HD1  LEU  64          2HD1      LEU  64   4.299  -3.886  -1.596
  417   3HD1  LEU  64          3HD1      LEU  64   4.106  -5.227  -0.466
  418   1HD2  LEU  64          1HD2      LEU  64   2.255  -7.150  -2.717
  419   2HD2  LEU  64          2HD2      LEU  64   3.404  -7.553  -1.442
  420   3HD2  LEU  64          3HD2      LEU  64   2.255  -6.238  -1.207
  421    H    VAL  65           H        VAL  65   0.663  -6.166  -5.964
  422    HA   VAL  65           HA       VAL  65   0.389  -3.523  -7.233
  423    HB   VAL  65           HB       VAL  65  -0.008  -6.230  -8.529
  424   1HG1  VAL  65          1HG1      VAL  65  -0.539  -3.494  -9.684
  425   2HG1  VAL  65          2HG1      VAL  65  -0.649  -5.026 -10.550
  426   3HG1  VAL  65          3HG1      VAL  65  -1.768  -4.675  -9.231
  427   1HG2  VAL  65          1HG2      VAL  65   2.320  -4.983  -8.263
  428   2HG2  VAL  65          2HG2      VAL  65   1.897  -5.885  -9.717
  429   3HG2  VAL  65          3HG2      VAL  65   1.728  -4.130  -9.689
  430    H    GLY  66           H        GLY  66  -1.476  -2.597  -6.798
  431   1HA   GLY  66          1HA       GLY  66  -3.885  -4.255  -6.577
  432   2HA   GLY  66          2HA       GLY  66  -3.502  -3.158  -5.251
  433    H    LYS  67           H        LYS  67  -5.407  -3.429  -7.835
  434    HA   LYS  67           HA       LYS  67  -5.164  -0.615  -8.630
  435   1HB   LYS  67          2HB       LYS  67  -4.963  -2.157 -10.499
  436   1HG   LYS  67          2HG       LYS  67  -7.729  -0.978 -10.584
  437   1HD   LYS  67          2HD       LYS  67  -5.724  -1.571 -12.756
  438   1HE   LYS  67          2HE       LYS  67  -8.580  -0.633 -12.972
  439   1HZ   LYS  67          1HZ       LYS  67  -7.900  -1.903 -14.864
  440   2HZ   LYS  67          2HZ       LYS  67  -6.445  -1.041 -14.991
  441   3HZ   LYS  67          3HZ       LYS  67  -7.919  -0.263 -15.301
  442    H    PHE  68           H        PHE  68  -6.408   0.522  -7.307
  443    HA   PHE  68           HA       PHE  68  -9.058  -0.553  -6.695
  444   1HB   PHE  68          2HB       PHE  68  -7.256   1.275  -5.107
  445    HD1  PHE  68           1HD      PHE  68  -9.317  -0.484  -3.005
  446    HD2  PHE  68           2HD      PHE  68  -5.944  -1.074  -5.535
  447    HE1  PHE  68           1HE      PHE  68  -8.677  -2.457  -1.682
  448    HE2  PHE  68           2HE      PHE  68  -5.303  -3.054  -4.219
  449    HZ   PHE  68           HZ       PHE  68  -6.669  -3.745  -2.289
  450    H    LYS  69           H        LYS  69 -10.852   0.844  -6.740
  451    HA   LYS  69           HA       LYS  69 -10.438   3.234  -8.386
  452   1HB   LYS  69          2HB       LYS  69 -11.957   1.782  -9.462
  453   1HG   LYS  69          2HG       LYS  69 -14.197   3.135  -8.200
  454   1HD   LYS  69          2HD       LYS  69 -14.639   3.887 -10.420
  455   1HE   LYS  69          2HE       LYS  69 -14.443   1.827 -11.769
  456   1HZ   LYS  69          1HZ       LYS  69 -16.238   1.999 -10.151
  457   2HZ   LYS  69          2HZ       LYS  69 -15.251   1.325  -8.949
  458   3HZ   LYS  69          3HZ       LYS  69 -15.701   0.400 -10.295
  459    H    ARG  70           H        ARG  70 -10.385   5.079  -7.332
  460    HA   ARG  70           HA       ARG  70 -11.724   5.394  -4.752
  461   1HB   ARG  70          2HB       ARG  70  -9.363   6.324  -5.380
  462   1HG   ARG  70          2HG       ARG  70 -10.806   7.019  -3.340
  463   1HD   ARG  70          2HD       ARG  70 -11.037   9.448  -5.106
  464    HE   ARG  70           HE       ARG  70 -12.219   9.821  -2.582
  465   1HH1  ARG  70          2HH1      ARG  70  -9.046   9.843  -4.088
  466   2HH1  ARG  70          1HH1      ARG  70  -8.374  10.950  -2.930
  467   1HH2  ARG  70          2HH2      ARG  70 -11.329  11.268  -1.072
  468   2HH2  ARG  70          1HH2      ARG  70  -9.663  11.754  -1.222
  469    H    VAL  71           H        VAL  71 -13.762   4.961  -5.903
  470    HA   VAL  71           HA       VAL  71 -14.815   6.427  -7.978
  471    HB   VAL  71           HB       VAL  71 -15.838   4.374  -7.118
  472   1HG1  VAL  71          1HG1      VAL  71 -15.574   4.809  -4.726
  473   2HG1  VAL  71          2HG1      VAL  71 -16.805   6.067  -4.819
  474   3HG1  VAL  71          3HG1      VAL  71 -17.238   4.386  -5.128
  475   1HG2  VAL  71          1HG2      VAL  71 -17.211   5.714  -8.536
  476   2HG2  VAL  71          2HG2      VAL  71 -18.222   5.096  -7.229
  477   3HG2  VAL  71          3HG2      VAL  71 -17.662   6.769  -7.196
  478    H    ASP  72           H        ASP  72 -14.452   7.345  -4.703
  479    HA   ASP  72           HA       ASP  72 -16.339   9.349  -4.388
  480   1HB   ASP  72          2HB       ASP  72 -15.120   8.564  -2.504
  481    H    ASN  73           H        ASN  73 -13.279   9.462  -6.161
  482    HA   ASN  73           HA       ASN  73 -13.955  11.953  -7.374
  483   1HB   ASN  73          2HB       ASN  73 -13.303  12.732  -5.102
  484   1HD2  ASN  73          1HD2      ASN  73 -10.253  13.521  -5.803
  485   2HD2  ASN  73          2HD2      ASN  73 -10.504  14.928  -6.787
  486    H    GLY  74           H        GLY  74 -11.362   9.716  -6.543
  487   1HA   GLY  74          1HA       GLY  74  -9.608  10.753  -8.545
  488   2HA   GLY  74          2HA       GLY  74  -9.290   9.393  -7.484
  489    H    LYS  75           H        LYS  75 -11.879   8.188  -8.443
  490    HA   LYS  75           HA       LYS  75 -12.637   6.765 -10.003
  491   1HB   LYS  75          2HB       LYS  75 -12.346   8.482 -11.693
  492   1HG   LYS  75          2HG       LYS  75 -11.756   7.132 -13.702
  493   1HD   LYS  75          2HD       LYS  75 -13.552   5.457 -13.428
  494   1HE   LYS  75          2HE       LYS  75 -14.253   8.119 -12.205
  495   1HZ   LYS  75          1HZ       LYS  75 -16.035   6.483 -12.133
  496   2HZ   LYS  75          2HZ       LYS  75 -15.880   6.212 -13.800
  497   3HZ   LYS  75          3HZ       LYS  75 -16.397   7.725 -13.231
  498    H    GLU  76           H        GLU  76  -9.085   7.008  -9.924
  499    HA   GLU  76           HA       GLU  76  -8.936   4.133  -9.519
  500   1HB   GLU  76          2HB       GLU  76  -7.666   5.533 -11.872
  501   1HG   GLU  76          2HG       GLU  76  -9.302   3.000 -11.744
  502    H    LEU  77           H        LEU  77  -7.805   4.060  -7.722
  503    HA   LEU  77           HA       LEU  77  -5.304   5.597  -7.571
  504   1HB   LEU  77          2HB       LEU  77  -6.853   6.400  -5.879
  505    HG   LEU  77           HG       LEU  77  -4.822   4.610  -4.523
  506   1HD1  LEU  77          1HD1      LEU  77  -4.481   6.912  -6.179
  507   2HD1  LEU  77          2HD1      LEU  77  -4.029   7.311  -4.522
  508   3HD1  LEU  77          3HD1      LEU  77  -3.261   5.953  -5.343
  509   1HD2  LEU  77          1HD2      LEU  77  -5.830   5.298  -2.662
  510   2HD2  LEU  77          2HD2      LEU  77  -5.186   6.897  -3.026
  511   3HD2  LEU  77          3HD2      LEU  77  -6.818   6.470  -3.535
  512    H    ILE  78           H        ILE  78  -3.833   4.175  -8.199
  513    HA   ILE  78           HA       ILE  78  -4.044   1.384  -7.293
  514    HB   ILE  78           HB       ILE  78  -2.426   2.581  -9.557
  515   1HG1  ILE  78          2HG1      ILE  78  -4.967   0.945  -9.693
  516   1HG2  ILE  78          1HG2      ILE  78  -1.285   0.669  -9.401
  517   2HG2  ILE  78          2HG2      ILE  78  -2.483  -0.064  -8.336
  518   3HG2  ILE  78          3HG2      ILE  78  -2.723  -0.092 -10.083
  519   1HD1  ILE  78          1HD1      ILE  78  -5.009   1.314 -12.000
  520   2HD1  ILE  78          2HD1      ILE  78  -3.718   2.516 -11.917
  521   3HD1  ILE  78          3HD1      ILE  78  -3.355   0.813 -11.643
  522    H    ALA  79           H        ALA  79  -2.619   0.668  -5.817
  523    HA   ALA  79           HA       ALA  79  -0.134   2.223  -5.404
  524   1HB   ALA  79          1HB       ALA  79  -0.136   1.660  -3.182
  525   2HB   ALA  79          2HB       ALA  79  -1.875   1.690  -3.478
  526   3HB   ALA  79          3HB       ALA  79  -1.013   0.151  -3.446
  527    H    VAL  80           H        VAL  80   1.666   1.309  -6.109
  528    HA   VAL  80           HA       VAL  80   1.809  -1.592  -6.489
  529    HB   VAL  80           HB       VAL  80   2.853  -1.008  -8.773
  530   1HG1  VAL  80          1HG1      VAL  80  -0.110  -0.721  -8.377
  531   2HG1  VAL  80          2HG1      VAL  80   0.690  -1.115  -9.899
  532   3HG1  VAL  80          3HG1      VAL  80   0.771  -2.240  -8.542
  533   1HG2  VAL  80          1HG2      VAL  80   1.994   0.985  -9.859
  534   2HG2  VAL  80          2HG2      VAL  80   1.211   1.467  -8.353
  535   3HG2  VAL  80          3HG2      VAL  80   2.973   1.390  -8.446
  536    H    ARG  81           H        ARG  81   3.769  -2.410  -6.001
  537    HA   ARG  81           HA       ARG  81   6.117  -1.088  -6.721
  538   1HB   ARG  81          2HB       ARG  81   5.549   0.220  -4.648
  539   1HG   ARG  81          2HG       ARG  81   7.808   0.124  -3.686
  540   1HD   ARG  81          2HD       ARG  81   7.552   0.028  -6.675
  541    HE   ARG  81           HE       ARG  81   9.991   0.066  -5.254
  542   1HH1  ARG  81          2HH1      ARG  81   8.325   1.619  -7.911
  543   2HH1  ARG  81          1HH1      ARG  81   9.790   2.157  -8.683
  544   1HH2  ARG  81          2HH2      ARG  81  11.918   0.790  -6.247
  545   2HH2  ARG  81          1HH2      ARG  81  11.830   1.742  -7.699
  546    H    GLU  82           H        GLU  82   8.016  -2.291  -6.432
  547    HA   GLU  82           HA       GLU  82   7.585  -5.100  -5.676
  548   1HB   GLU  82          2HB       GLU  82   9.645  -5.551  -6.992
  549   1HG   GLU  82          2HG       GLU  82   9.419  -2.656  -7.788
  550    H    ILE  83           H        ILE  83   9.502  -6.095  -4.573
  551    HA   ILE  83           HA       ILE  83  10.586  -4.158  -2.618
  552    HB   ILE  83           HB       ILE  83  10.744  -7.170  -2.406
  553   1HG1  ILE  83          2HG1      ILE  83   8.388  -6.680  -2.677
  554   1HG2  ILE  83          1HG2      ILE  83  12.174  -5.869  -0.922
  555   2HG2  ILE  83          2HG2      ILE  83  10.770  -4.983  -0.331
  556   3HG2  ILE  83          3HG2      ILE  83  10.917  -6.712  -0.018
  557   1HD1  ILE  83          1HD1      ILE  83   8.957  -4.398  -0.905
  558   2HD1  ILE  83          2HD1      ILE  83   7.799  -4.558  -2.225
  559   3HD1  ILE  83          3HD1      ILE  83   7.434  -5.249  -0.645
  560    H    SER  84           H        SER  84  12.678  -3.625  -2.768
  561    HA   SER  84           HA       SER  84  14.439  -5.218  -4.497
  562   1HB   SER  84          2HB       SER  84  14.896  -2.419  -3.428
  563    HG   SER  84           HG       SER  84  14.019  -3.055  -6.049
  564    H    GLY  85           H        GLY  85  15.550  -6.713  -3.343
  565   1HA   GLY  85          1HA       GLY  85  16.760  -7.685  -1.631
  566   2HA   GLY  85          2HA       GLY  85  17.323  -6.064  -1.220
  567    H    ASN  86           H        ASN  86  16.797  -5.464   0.785
  568    HA   ASN  86           HA       ASN  86  14.021  -5.985   1.561
  569   1HB   ASN  86          2HB       ASN  86  16.336  -5.897   3.511
  570   1HD2  ASN  86          1HD2      ASN  86  17.465  -7.677   3.462
  571   2HD2  ASN  86          2HD2      ASN  86  16.864  -9.268   3.121
  572    H    GLU  87           H        GLU  87  13.359  -4.092   0.833
  573    HA   GLU  87           HA       GLU  87  13.512  -1.881   2.540
  574   1HB   GLU  87          2HB       GLU  87  14.510  -0.200   1.117
  575   1HG   GLU  87          2HG       GLU  87  15.091  -2.387  -0.862
  576    H    LEU  88           H        LEU  88  11.801  -0.380   1.982
  577    HA   LEU  88           HA       LEU  88  10.173  -1.404  -0.230
  578   1HB   LEU  88          2HB       LEU  88   9.222  -2.033   1.942
  579    HG   LEU  88           HG       LEU  88   7.660  -0.007   0.359
  580   1HD1  LEU  88          1HD1      LEU  88   6.593  -1.840  -0.618
  581   2HD1  LEU  88          2HD1      LEU  88   8.304  -2.264  -0.585
  582   3HD1  LEU  88          3HD1      LEU  88   7.201  -2.955   0.605
  583   1HD2  LEU  88          1HD2      LEU  88   7.048  -1.186   2.963
  584   2HD2  LEU  88          2HD2      LEU  88   6.329   0.201   2.147
  585   3HD2  LEU  88          3HD2      LEU  88   5.795  -1.432   1.748
  586    H    ILE  89           H        ILE  89   9.704  -0.055  -1.698
  587    HA   ILE  89           HA       ILE  89   9.605   2.825  -1.131
  588    HB   ILE  89           HB       ILE  89  10.005   1.388  -3.777
  589   1HG1  ILE  89          2HG1      ILE  89  12.085   2.930  -3.797
  590   1HG2  ILE  89          1HG2      ILE  89   9.006   3.123  -4.743
  591   2HG2  ILE  89          2HG2      ILE  89   8.955   4.031  -3.233
  592   3HG2  ILE  89          3HG2      ILE  89  10.397   4.085  -4.244
  593   1HD1  ILE  89          1HD1      ILE  89  12.582   0.660  -3.618
  594   2HD1  ILE  89          2HD1      ILE  89  13.387   1.411  -2.240
  595   3HD1  ILE  89          3HD1      ILE  89  11.871   0.541  -2.007
  596    H    GLN  90           H        GLN  90   7.612   3.851  -2.045
  597    HA   GLN  90           HA       GLN  90   5.532   1.868  -2.659
  598   1HB   GLN  90          2HB       GLN  90   5.443   2.507  -0.249
  599   1HG   GLN  90          2HG       GLN  90   3.102   3.008  -0.095
  600   1HE2  GLN  90          1HE2      GLN  90   2.498   1.000   0.273
  601   2HE2  GLN  90          2HE2      GLN  90   2.441  -0.273  -0.892
  602    H    THR  91           H        THR  91   4.710   2.326  -4.567
  603    HA   THR  91           HA       THR  91   4.654   5.127  -5.456
  604    HB   THR  91           HB       THR  91   4.115   2.845  -7.315
  605    HG1  THR  91           1HG      THR  91   6.163   2.230  -7.317
  606   1HG2  THR  91          1HG2      THR  91   4.610   4.332  -8.969
  607   2HG2  THR  91          2HG2      THR  91   5.783   5.211  -7.987
  608   3HG2  THR  91          3HG2      THR  91   4.056   5.463  -7.734
  609    H    TYR  92           H        TYR  92   2.796   6.104  -5.673
  610    HA   TYR  92           HA       TYR  92   0.346   4.506  -5.821
  611   1HB   TYR  92          2HB       TYR  92   0.814   7.351  -4.918
  612    HD1  TYR  92           1HD      TYR  92  -2.111   6.255  -3.562
  613    HD2  TYR  92           2HD      TYR  92   2.071   5.543  -3.238
  614    HE1  TYR  92           1HE      TYR  92  -2.434   5.434  -1.267
  615    HE2  TYR  92           2HE      TYR  92   1.758   4.720  -0.943
  616    HH   TYR  92           HH       TYR  92  -0.753   5.306   0.897
  617    H    THR  93           H        THR  93  -0.237   4.209  -7.844
  618    HA   THR  93           HA       THR  93   0.274   6.337  -9.809
  619    HB   THR  93           HB       THR  93  -0.786   3.538 -10.300
  620    HG1  THR  93           1HG      THR  93   1.502   3.928  -9.410
  621   1HG2  THR  93          1HG2      THR  93  -1.299   5.112 -12.091
  622   2HG2  THR  93          2HG2      THR  93  -0.062   3.969 -12.620
  623   3HG2  THR  93          3HG2      THR  93   0.391   5.611 -12.161
  624    H    TYR  94           H        TYR  94  -1.260   7.805  -9.634
  625    HA   TYR  94           HA       TYR  94  -4.036   6.964  -9.139
  626   1HB   TYR  94          2HB       TYR  94  -2.643   8.502  -7.560
  627    HD1  TYR  94           1HD      TYR  94  -5.667   7.428  -8.462
  628    HD2  TYR  94           2HD      TYR  94  -3.935  10.925  -6.752
  629    HE1  TYR  94           1HE      TYR  94  -7.789   7.926  -7.325
  630    HE2  TYR  94           2HE      TYR  94  -6.058  11.429  -5.621
  631    HH   TYR  94           HH       TYR  94  -8.326  10.943  -5.648
  632    H    GLU  95           H        GLU  95  -5.423   7.161 -10.726
  633    HA   GLU  95           HA       GLU  95  -6.494   7.818 -12.613
  634   1HB   GLU  95          2HB       GLU  95  -6.264  10.115 -11.692
  635   1HG   GLU  95          2HG       GLU  95  -5.880  10.010 -14.675
  636    H    GLY  96           H        GLY  96  -3.129   8.938 -13.045
  637   1HA   GLY  96          1HA       GLY  96  -2.426   6.780 -14.732
  638   2HA   GLY  96          2HA       GLY  96  -2.826   8.185 -15.712
  639    H    VAL  97           H        VAL  97  -1.447   8.584 -12.547
  640    HA   VAL  97           HA       VAL  97   1.204   9.070 -13.711
  641    HB   VAL  97           HB       VAL  97   1.473  11.031 -12.171
  642   1HG1  VAL  97          1HG1      VAL  97  -0.509  11.108 -14.427
  643   2HG1  VAL  97          2HG1      VAL  97   0.043  12.571 -13.612
  644   3HG1  VAL  97          3HG1      VAL  97   1.202  11.537 -14.449
  645   1HG2  VAL  97          1HG2      VAL  97  -1.150  11.928 -11.912
  646   2HG2  VAL  97          2HG2      VAL  97  -1.197  10.241 -11.403
  647   3HG2  VAL  97          3HG2      VAL  97  -0.088  11.368 -10.622
  648    H    GLU  98           H        GLU  98   2.906   8.477 -12.445
  649    HA   GLU  98           HA       GLU  98   2.181   7.080  -9.971
  650   1HB   GLU  98          2HB       GLU  98   4.130   5.694 -10.299
  651   1HG   GLU  98          2HG       GLU  98   5.599   7.413 -11.401
  652    H    ALA  99           H        ALA  99   3.042   7.589  -8.079
  653    HA   ALA  99           HA       ALA  99   5.373   9.366  -7.963
  654   1HB   ALA  99          1HB       ALA  99   2.673  10.036  -7.120
  655   2HB   ALA  99          2HB       ALA  99   3.836  10.162  -5.800
  656   3HB   ALA  99          3HB       ALA  99   4.089  11.072  -7.290
  657    H    LYS 100           H        LYS 100   6.844   8.623  -6.536
  658    HA   LYS 100           HA       LYS 100   5.938   6.574  -4.623
  659   1HB   LYS 100          2HB       LYS 100   7.994   5.282  -5.198
  660   1HG   LYS 100          2HG       LYS 100   8.182   7.256  -7.460
  661   1HD   LYS 100          2HD       LYS 100   9.707   4.690  -7.060
  662   1HE   LYS 100          2HE       LYS 100   9.705   6.747  -9.262
  663   1HZ   LYS 100          1HZ       LYS 100  11.414   4.348  -9.214
  664   2HZ   LYS 100          2HZ       LYS 100  11.003   5.339 -10.523
  665   3HZ   LYS 100          3HZ       LYS 100   9.859   4.267  -9.886
  666    H    ARG 101           H        ARG 101   6.972   6.398  -2.730
  667    HA   ARG 101           HA       ARG 101   9.122   8.332  -2.159
  668   1HB   ARG 101          2HB       ARG 101   6.882   8.854  -1.082
  669   1HG   ARG 101          2HG       ARG 101   7.711   9.244   1.175
  670   1HD   ARG 101          2HD       ARG 101   9.645  10.600   0.636
  671    HE   ARG 101           HE       ARG 101   7.268  10.800  -0.868
  672   1HH1  ARG 101          2HH1      ARG 101  10.571  11.978  -0.795
  673   2HH1  ARG 101          1HH1      ARG 101  10.208  13.430  -1.683
  674   1HH2  ARG 101          2HH2      ARG 101   6.790  12.698  -2.053
  675   2HH2  ARG 101          1HH2      ARG 101   8.055  13.848  -2.385
  676    H    ILE 102           H        ILE 102  10.865   7.512  -0.962
  677    HA   ILE 102           HA       ILE 102  10.944   4.593  -0.949
  678    HB   ILE 102           HB       ILE 102  12.656   5.661  -2.272
  679   1HG1  ILE 102          2HG1      ILE 102  13.874   4.533   0.262
  680   1HG2  ILE 102          1HG2      ILE 102  14.476   6.953  -0.946
  681   2HG2  ILE 102          2HG2      ILE 102  12.998   7.783  -1.433
  682   3HG2  ILE 102          3HG2      ILE 102  13.183   7.214   0.226
  683   1HD1  ILE 102          1HD1      ILE 102  14.898   4.705  -2.549
  684   2HD1  ILE 102          2HD1      ILE 102  15.657   5.289  -1.068
  685   3HD1  ILE 102          3HD1      ILE 102  15.521   3.555  -1.364
  686    H    PHE 103           H        PHE 103  11.258   3.378   0.762
  687    HA   PHE 103           HA       PHE 103  11.996   4.585   3.332
  688   1HB   PHE 103          2HB       PHE 103   9.836   2.483   3.112
  689    HD1  PHE 103           1HD      PHE 103   8.099   3.094   1.724
  690    HD2  PHE 103           2HD      PHE 103   9.854   6.020   4.268
  691    HE1  PHE 103           1HE      PHE 103   6.357   4.703   1.070
  692    HE2  PHE 103           2HE      PHE 103   8.108   7.632   3.624
  693    HZ   PHE 103           HZ       PHE 103   6.356   6.972   2.025
  694    H    LYS 104           H        LYS 104  12.587   2.767   4.920
  695    HA   LYS 104           HA       LYS 104  13.714   0.480   3.468
  696   1HB   LYS 104          2HB       LYS 104  15.860   0.774   4.252
  697   1HG   LYS 104          2HG       LYS 104  15.268   1.024   6.658
  698   1HD   LYS 104          2HD       LYS 104  15.089   3.954   5.960
  699   1HE   LYS 104          2HE       LYS 104  14.885   2.577   8.636
  700   1HZ   LYS 104          1HZ       LYS 104  14.728   5.397   7.782
  701   2HZ   LYS 104          2HZ       LYS 104  15.191   4.979   9.360
  702   3HZ   LYS 104          3HZ       LYS 104  13.663   4.527   8.779
  703    H    LYS 105           H        LYS 105  14.278  -1.336   4.845
  704    HA   LYS 105           HA       LYS 105  12.271  -1.871   6.801
  705   1HB   LYS 105          2HB       LYS 105  13.280  -3.613   5.344
  706   1HG   LYS 105          2HG       LYS 105  13.774  -4.118   8.270
  707   1HD   LYS 105          2HD       LYS 105  13.339  -6.036   5.982
  708   1HE   LYS 105          2HE       LYS 105  12.333  -6.829   8.052
  709   1HZ   LYS 105          1HZ       LYS 105  13.239  -6.290   9.980
  710   2HZ   LYS 105          2HZ       LYS 105  14.640  -5.692   9.234
  711   3HZ   LYS 105          3HZ       LYS 105  14.533  -7.334   9.643
  712    H    GLU 106           H        GLU 106  12.309  -1.142   8.822
  713    HA   GLU 106           HA       GLU 106  14.529   0.208   9.915
  714   1HB   GLU 106          2HB       GLU 106  12.021  -0.834  11.237
  715   1HG   GLU 106          2HG       GLU 106  12.734   1.912  10.235
  Start of MODEL    4
    1   1H    ALA   1          1H        ALA   1   6.714  -2.455   3.604
    2   2H    ALA   1          2H        ALA   1   6.341  -4.037   3.131
    3   3H    ALA   1          3H        ALA   1   7.956  -3.533   3.202
    4    HA   ALA   1           HA       ALA   1   8.131  -4.024   5.331
    5   1HB   ALA   1          1HB       ALA   1   6.503  -1.883   5.485
    6   2HB   ALA   1          2HB       ALA   1   5.463  -3.112   6.203
    7   3HB   ALA   1          3HB       ALA   1   7.054  -2.789   6.893
    8    H    PHE   2           H        PHE   2   7.945  -6.131   6.050
    9    HA   PHE   2           HA       PHE   2   5.343  -7.310   6.176
   10   1HB   PHE   2          2HB       PHE   2   7.301  -9.021   4.741
   11    HD1  PHE   2           1HD      PHE   2   4.451  -7.990   2.896
   12    HD2  PHE   2           2HD      PHE   2   8.558  -7.105   3.590
   13    HE1  PHE   2           1HE      PHE   2   4.544  -6.765   0.763
   14    HE2  PHE   2           2HE      PHE   2   8.655  -5.873   1.458
   15    HZ   PHE   2           HZ       PHE   2   6.646  -5.709   0.041
   16    H    ASP   3           H        ASP   3   5.160  -8.352   7.930
   17    HA   ASP   3           HA       ASP   3   5.598  -9.167   9.964
   18   1HB   ASP   3          2HB       ASP   3   6.225 -11.172   8.573
   19    H    GLY   4           H        GLY   4   6.772  -6.739   9.108
   20   1HA   GLY   4          1HA       GLY   4   8.691  -6.276  11.188
   21   2HA   GLY   4          2HA       GLY   4   9.408  -6.310   9.578
   22    H    THR   5           H        THR   5   9.577  -4.034  11.012
   23    HA   THR   5           HA       THR   5   7.532  -2.256   9.848
   24    HB   THR   5           HB       THR   5   8.439  -0.522  11.345
   25    HG1  THR   5           1HG      THR   5  10.454  -2.347  11.630
   26   1HG2  THR   5          1HG2      THR   5   7.141  -1.195  13.040
   27   2HG2  THR   5          2HG2      THR   5   8.126  -2.628  13.339
   28   3HG2  THR   5          3HG2      THR   5   6.883  -2.655  12.087
   29    H    TRP   6           H        TRP   6   8.085  -1.195   8.061
   30    HA   TRP   6           HA       TRP   6  10.951  -0.764   7.480
   31   1HB   TRP   6          2HB       TRP   6   8.882  -1.379   5.359
   32    HD1  TRP   6           HD       TRP   6   9.125  -3.588   7.813
   33    HE1  TRP   6           1HE      TRP   6   9.616  -6.024   7.084
   34    HE3  TRP   6           3HE      TRP   6  11.210  -2.656   3.246
   35    HZ2  TRP   6           2HZ      TRP   6  10.797  -7.342   4.893
   36    HZ3  TRP   6           3HZ      TRP   6  11.996  -4.549   1.897
   37    HH2  TRP   6           HH       TRP   6  11.795  -6.848   2.703
   38    H    LYS   7           H        LYS   7  11.083   1.430   7.793
   39    HA   LYS   7           HA       LYS   7   9.687   3.167   6.035
   40   1HB   LYS   7          2HB       LYS   7   8.104   2.516   8.086
   41   1HG   LYS   7          2HG       LYS   7   6.951   4.658   7.899
   42   1HD   LYS   7          2HD       LYS   7   8.020   3.863   5.201
   43   1HE   LYS   7          2HE       LYS   7   6.504   5.849   5.363
   44   1HZ   LYS   7          1HZ       LYS   7   4.622   5.758   6.488
   45   2HZ   LYS   7          2HZ       LYS   7   5.024   4.206   7.036
   46   3HZ   LYS   7          3HZ       LYS   7   4.100   4.392   5.623
   47    H    VAL   8           H        VAL   8  10.094   5.506   6.627
   48    HA   VAL   8           HA       VAL   8  12.893   5.741   7.467
   49    HB   VAL   8           HB       VAL   8  11.159   7.735   5.980
   50   1HG1  VAL   8          1HG1      VAL   8  12.913   8.920   7.024
   51   2HG1  VAL   8          2HG1      VAL   8  14.096   7.675   6.623
   52   3HG1  VAL   8          3HG1      VAL   8  13.416   8.686   5.349
   53   1HG2  VAL   8          1HG2      VAL   8  12.647   7.044   4.028
   54   2HG2  VAL   8          2HG2      VAL   8  13.046   5.620   4.992
   55   3HG2  VAL   8          3HG2      VAL   8  11.377   5.925   4.512
   56    H    GLY   9           H        GLY   9  13.512   7.262   9.004
   57   1HA   GLY   9          1HA       GLY   9  12.224   7.351  11.328
   58   2HA   GLY   9          2HA       GLY   9  13.311   8.643  10.850
   59    H    GLY  10           H        GLY  10  10.584   8.276  12.328
   60   1HA   GLY  10          1HA       GLY  10   9.107  10.098  12.818
   61   2HA   GLY  10          2HA       GLY  10   9.372  10.707  11.186
   62    H    LEU  11           H        LEU  11   9.057   8.144   9.918
   63    HA   LEU  11           HA       LEU  11   6.128   7.902  10.119
   64   1HB   LEU  11          2HB       LEU  11   7.863   6.959   7.844
   65    HG   LEU  11           HG       LEU  11   8.174   9.373   7.913
   66   1HD1  LEU  11          1HD1      LEU  11   7.836   9.658   5.699
   67   2HD1  LEU  11          2HD1      LEU  11   7.469   7.935   5.777
   68   3HD1  LEU  11          3HD1      LEU  11   6.159   9.116   5.770
   69   1HD2  LEU  11          1HD2      LEU  11   5.451  10.164   7.363
   70   2HD2  LEU  11          2HD2      LEU  11   5.594   9.416   8.954
   71   3HD2  LEU  11          3HD2      LEU  11   6.594  10.810   8.541
   72    H    LYS  12           H        LYS  12   5.291   5.679   9.608
   73    HA   LYS  12           HA       LYS  12   7.112   3.524  10.320
   74   1HB   LYS  12          2HB       LYS  12   5.459   2.623  11.983
   75   1HG   LYS  12          2HG       LYS  12   4.256   5.357  11.680
   76   1HD   LYS  12          2HD       LYS  12   3.791   3.357  13.889
   77   1HE   LYS  12          2HE       LYS  12   2.670   6.099  13.349
   78   1HZ   LYS  12          1HZ       LYS  12   3.153   5.714  15.723
   79   2HZ   LYS  12          2HZ       LYS  12   2.157   4.340  15.686
   80   3HZ   LYS  12          3HZ       LYS  12   1.493   5.876  15.401
   81    H    LEU  13           H        LEU  13   6.442   1.480   9.649
   82    HA   LEU  13           HA       LEU  13   3.917   1.136   8.267
   83   1HB   LEU  13          2HB       LEU  13   5.823   2.172   6.707
   84    HG   LEU  13           HG       LEU  13   3.657   1.613   5.749
   85   1HD1  LEU  13          1HD1      LEU  13   4.513   1.778   3.707
   86   2HD1  LEU  13          2HD1      LEU  13   6.100   1.548   4.440
   87   3HD1  LEU  13          3HD1      LEU  13   5.218   0.163   3.794
   88   1HD2  LEU  13          1HD2      LEU  13   3.695  -0.866   4.725
   89   2HD2  LEU  13          2HD2      LEU  13   4.552  -1.157   6.237
   90   3HD2  LEU  13          3HD2      LEU  13   2.932  -0.462   6.262
   91    H    THR  14           H        THR  14   3.264  -0.811   8.764
   92    HA   THR  14           HA       THR  14   5.187  -2.991   9.085
   93    HB   THR  14           HB       THR  14   2.999  -2.463  11.094
   94    HG1  THR  14           1HG      THR  14   5.402  -1.235  10.827
   95   1HG2  THR  14          1HG2      THR  14   5.133  -4.493  10.756
   96   2HG2  THR  14          2HG2      THR  14   3.522  -4.650  11.461
   97   3HG2  THR  14          3HG2      THR  14   4.829  -3.924  12.400
   98    H    ILE  15           H        ILE  15   4.440  -4.903   8.366
   99    HA   ILE  15           HA       ILE  15   1.556  -5.207   7.882
  100    HB   ILE  15           HB       ILE  15   3.754  -6.105   5.993
  101   1HG1  ILE  15          2HG1      ILE  15   1.506  -4.074   5.702
  102   1HG2  ILE  15          1HG2      ILE  15   1.929  -6.990   4.595
  103   2HG2  ILE  15          2HG2      ILE  15   2.025  -7.799   6.158
  104   3HG2  ILE  15          3HG2      ILE  15   0.772  -6.594   5.864
  105   1HD1  ILE  15          1HD1      ILE  15   3.345  -5.182   3.606
  106   2HD1  ILE  15          2HD1      ILE  15   1.586  -5.064   3.572
  107   3HD1  ILE  15          3HD1      ILE  15   2.571  -3.604   3.461
  108    H    THR  16           H        THR  16   0.799  -7.017   8.792
  109    HA   THR  16           HA       THR  16   2.750  -9.138   9.360
  110    HB   THR  16           HB       THR  16   0.207  -8.548  10.917
  111    HG1  THR  16           1HG      THR  16   2.957  -8.240  11.651
  112   1HG2  THR  16          1HG2      THR  16   0.542 -10.867  11.082
  113   2HG2  THR  16          2HG2      THR  16   1.312 -10.217  12.529
  114   3HG2  THR  16          3HG2      THR  16   2.296 -10.698  11.146
  115    H    GLN  17           H        GLN  17   2.369 -11.040   8.495
  116    HA   GLN  17           HA       GLN  17  -0.155 -11.419   7.038
  117   1HB   GLN  17          2HB       GLN  17   1.121 -12.269   5.153
  118   1HG   GLN  17          2HG       GLN  17   3.088 -13.150   6.475
  119   1HE2  GLN  17          1HE2      GLN  17   5.002 -10.858   4.984
  120   2HE2  GLN  17          2HE2      GLN  17   5.616 -10.062   6.398
  121    H    GLU  18           H        GLU  18  -0.856 -13.552   6.746
  122    HA   GLU  18           HA       GLU  18   0.683 -15.646   8.086
  123   1HB   GLU  18          2HB       GLU  18  -1.446 -16.533   9.081
  124   1HG   GLU  18          2HG       GLU  18  -2.514 -13.838   8.271
  125    H    GLY  19           H        GLY  19   1.254 -16.623   6.233
  126   1HA   GLY  19          1HA       GLY  19   1.027 -18.125   4.477
  127   2HA   GLY  19          2HA       GLY  19  -0.702 -18.196   4.793
  128    H    ASN  20           H        ASN  20  -1.868 -16.136   4.283
  129    HA   ASN  20           HA       ASN  20  -0.721 -14.227   2.574
  130   1HB   ASN  20          2HB       ASN  20  -2.561 -14.687   0.718
  131   1HD2  ASN  20          1HD2      ASN  20  -1.231 -17.328  -0.244
  132   2HD2  ASN  20          2HD2      ASN  20  -2.398 -18.517   0.236
  133    H    LYS  21           H        LYS  21  -1.462 -12.800   3.931
  134    HA   LYS  21           HA       LYS  21  -4.043 -11.766   3.558
  135   1HB   LYS  21          2HB       LYS  21  -4.497 -13.632   5.278
  136   1HG   LYS  21          2HG       LYS  21  -5.158 -10.756   5.831
  137   1HD   LYS  21          2HD       LYS  21  -6.974 -11.709   7.309
  138   1HE   LYS  21          2HE       LYS  21  -4.120 -11.998   8.237
  139   1HZ   LYS  21          1HZ       LYS  21  -6.683 -11.833   9.689
  140   2HZ   LYS  21          2HZ       LYS  21  -5.251 -11.265  10.396
  141   3HZ   LYS  21          3HZ       LYS  21  -5.381 -12.894   9.939
  142    H    PHE  22           H        PHE  22  -3.194  -9.776   3.248
  143    HA   PHE  22           HA       PHE  22  -1.072  -8.947   5.085
  144   1HB   PHE  22          2HB       PHE  22  -1.711  -8.200   2.247
  145    HD1  PHE  22           1HD      PHE  22   1.489  -7.432   2.506
  146    HD2  PHE  22           2HD      PHE  22  -0.945 -10.899   2.887
  147    HE1  PHE  22           1HE      PHE  22   3.417  -8.845   1.930
  148    HE2  PHE  22           2HE      PHE  22   0.977 -12.318   2.310
  149    HZ   PHE  22           HZ       PHE  22   3.162 -11.291   1.831
  150    H    THR  23           H        THR  23  -1.176  -7.173   6.270
  151    HA   THR  23           HA       THR  23  -3.366  -5.292   5.799
  152    HB   THR  23           HB       THR  23  -3.964  -6.731   7.759
  153    HG1  THR  23           1HG      THR  23  -4.326  -4.857   9.173
  154   1HG2  THR  23          1HG2      THR  23  -2.675  -6.994   9.606
  155   2HG2  THR  23          2HG2      THR  23  -1.966  -5.385   9.475
  156   3HG2  THR  23          3HG2      THR  23  -1.373  -6.695   8.453
  157    H    VAL  24           H        VAL  24  -2.662  -3.272   5.680
  158    HA   VAL  24           HA       VAL  24   0.204  -2.879   6.115
  159    HB   VAL  24           HB       VAL  24  -1.732  -1.221   4.483
  160   1HG1  VAL  24          1HG1      VAL  24   0.067   0.025   3.712
  161   2HG1  VAL  24          2HG1      VAL  24   0.435  -0.175   5.424
  162   3HG1  VAL  24          3HG1      VAL  24   1.251  -1.176   4.225
  163   1HG2  VAL  24          1HG2      VAL  24  -0.828  -2.282   2.533
  164   2HG2  VAL  24          2HG2      VAL  24   0.325  -3.194   3.506
  165   3HG2  VAL  24          3HG2      VAL  24  -1.402  -3.535   3.635
  166    H    LYS  25           H        LYS  25   0.935  -1.600   7.648
  167    HA   LYS  25           HA       LYS  25  -0.911   0.291   8.937
  168   1HB   LYS  25          2HB       LYS  25   0.177  -1.259  10.486
  169   1HG   LYS  25          2HG       LYS  25   1.394   1.485  10.658
  170   1HD   LYS  25          2HD       LYS  25   1.260  -0.757  12.668
  171   1HE   LYS  25          2HE       LYS  25   2.209   0.813  14.266
  172   1HZ   LYS  25          1HZ       LYS  25  -0.392   0.740  13.515
  173   2HZ   LYS  25          2HZ       LYS  25  -0.055   2.404  13.486
  174   3HZ   LYS  25          3HZ       LYS  25   0.202   1.513  14.902
  175    H    GLU  26           H        GLU  26  -0.829   2.078   7.719
  176    HA   GLU  26           HA       GLU  26   1.803   2.986   6.799
  177   1HB   GLU  26          2HB       GLU  26   0.391   2.499   4.954
  178   1HG   GLU  26          2HG       GLU  26  -0.013   4.584   3.815
  179    H    SER  27           H        SER  27   2.538   4.943   7.214
  180    HA   SER  27           HA       SER  27   0.854   7.031   8.291
  181   1HB   SER  27          2HB       SER  27   3.264   6.065   9.850
  182    HG   SER  27           HG       SER  27   0.757   5.123   9.847
  183    H    SER  28           H        SER  28   1.442   8.748   7.131
  184    HA   SER  28           HA       SER  28   4.233   9.415   6.759
  185   1HB   SER  28          2HB       SER  28   2.407   8.878   4.399
  186    HG   SER  28           HG       SER  28   3.310   6.984   4.632
  187    H    ASN  29           H        ASN  29   4.568  11.570   6.357
  188    HA   ASN  29           HA       ASN  29   4.185  13.790   6.428
  189   1HB   ASN  29          2HB       ASN  29   1.537  12.986   5.216
  190   1HD2  ASN  29          1HD2      ASN  29   2.839  15.677   3.862
  191   2HD2  ASN  29          2HD2      ASN  29   3.698  14.947   2.539
  192    H    PHE  30           H        PHE  30   0.875  12.724   7.174
  193    HA   PHE  30           HA       PHE  30   1.175  12.802   9.948
  194   1HB   PHE  30          2HB       PHE  30   1.408  15.281   9.443
  195    HD1  PHE  30           1HD      PHE  30   1.075  13.268  11.735
  196    HD2  PHE  30           2HD      PHE  30  -1.092  16.752  10.607
  197    HE1  PHE  30           1HE      PHE  30   0.381  13.588  14.072
  198    HE2  PHE  30           2HE      PHE  30  -1.788  17.076  12.943
  199    HZ   PHE  30           HZ       PHE  30  -1.051  15.495  14.678
  200    H    ARG  31           H        ARG  31   0.071  10.890   8.676
  201    HA   ARG  31           HA       ARG  31  -2.574  10.885   9.714
  202   1HB   ARG  31          2HB       ARG  31  -3.840  10.328   7.768
  203   1HG   ARG  31          2HG       ARG  31  -1.700   9.292   6.582
  204   1HD   ARG  31          2HD       ARG  31  -0.599  11.430   6.181
  205    HE   ARG  31           HE       ARG  31  -1.937  13.179   5.621
  206   1HH1  ARG  31          2HH1      ARG  31  -2.967  10.403   3.714
  207   2HH1  ARG  31          1HH1      ARG  31  -4.211  11.288   2.886
  208   1HH2  ARG  31          2HH2      ARG  31  -3.594  14.319   4.529
  209   2HH2  ARG  31          1HH2      ARG  31  -4.546  13.502   3.316
  210    H    ASN  32           H        ASN  32  -3.176   8.886  10.322
  211    HA   ASN  32           HA       ASN  32  -1.326   6.692   9.628
  212   1HB   ASN  32          2HB       ASN  32  -2.857   7.065  12.215
  213   1HD2  ASN  32          1HD2      ASN  32   0.312   6.102  12.507
  214   2HD2  ASN  32          2HD2      ASN  32   1.013   7.625  12.946
  215    H    ILE  33           H        ILE  33  -2.209   4.823   8.885
  216    HA   ILE  33           HA       ILE  33  -5.022   4.232   9.253
  217    HB   ILE  33           HB       ILE  33  -5.019   5.907   7.430
  218   1HG1  ILE  33          2HG1      ILE  33  -6.289   4.538   5.765
  219   1HG2  ILE  33          1HG2      ILE  33  -4.032   4.347   5.275
  220   2HG2  ILE  33          2HG2      ILE  33  -3.469   5.914   5.854
  221   3HG2  ILE  33          3HG2      ILE  33  -2.781   4.431   6.517
  222   1HD1  ILE  33          1HD1      ILE  33  -6.997   5.068   8.371
  223   2HD1  ILE  33          2HD1      ILE  33  -8.069   4.520   7.082
  224   3HD1  ILE  33          3HD1      ILE  33  -7.342   3.349   8.181
  225    H    ASP  34           H        ASP  34  -5.558   2.103   8.720
  226    HA   ASP  34           HA       ASP  34  -3.337   0.429   7.778
  227   1HB   ASP  34          2HB       ASP  34  -4.312  -1.447   9.106
  228    H    VAL  35           H        VAL  35  -3.774  -1.126   6.296
  229    HA   VAL  35           HA       VAL  35  -6.557  -1.306   5.337
  230    HB   VAL  35           HB       VAL  35  -4.165  -1.344   3.493
  231   1HG1  VAL  35          1HG1      VAL  35  -5.756  -1.164   1.724
  232   2HG1  VAL  35          2HG1      VAL  35  -6.276  -2.475   2.785
  233   3HG1  VAL  35          3HG1      VAL  35  -7.076  -0.905   2.863
  234   1HG2  VAL  35          1HG2      VAL  35  -5.825   0.970   4.409
  235   2HG2  VAL  35          2HG2      VAL  35  -4.077   0.858   4.194
  236   3HG2  VAL  35          3HG2      VAL  35  -5.134   0.953   2.785
  237    H    VAL  36           H        VAL  36  -7.166  -3.342   5.748
  238    HA   VAL  36           HA       VAL  36  -5.192  -5.495   5.446
  239    HB   VAL  36           HB       VAL  36  -6.314  -5.399   7.624
  240   1HG1  VAL  36          1HG1      VAL  36  -8.724  -5.987   7.783
  241   2HG1  VAL  36          2HG1      VAL  36  -8.417  -4.410   7.054
  242   3HG1  VAL  36          3HG1      VAL  36  -8.843  -5.784   6.034
  243   1HG2  VAL  36          1HG2      VAL  36  -7.519  -7.806   7.238
  244   2HG2  VAL  36          2HG2      VAL  36  -6.466  -7.706   5.825
  245   3HG2  VAL  36          3HG2      VAL  36  -5.783  -7.568   7.446
  246    H    PHE  37           H        PHE  37  -5.383  -7.030   3.944
  247    HA   PHE  37           HA       PHE  37  -7.839  -7.388   2.423
  248   1HB   PHE  37          2HB       PHE  37  -6.472  -7.042   0.265
  249    HD1  PHE  37           1HD      PHE  37  -5.470  -4.090   2.092
  250    HD2  PHE  37           2HD      PHE  37  -4.088  -7.736   0.384
  251    HE1  PHE  37           1HE      PHE  37  -3.160  -3.258   2.192
  252    HE2  PHE  37           2HE      PHE  37  -1.778  -6.906   0.482
  253    HZ   PHE  37           HZ       PHE  37  -1.309  -4.666   1.384
  254    H    GLU  38           H        GLU  38  -7.860  -9.254   1.160
  255    HA   GLU  38           HA       GLU  38  -5.769 -11.183   1.879
  256   1HB   GLU  38          2HB       GLU  38  -8.229 -11.612   2.432
  257   1HG   GLU  38          2HG       GLU  38  -6.930 -13.673   0.668
  258    H    LEU  39           H        LEU  39  -4.687 -12.306   0.308
  259    HA   LEU  39           HA       LEU  39  -4.169 -10.897  -2.029
  260   1HB   LEU  39          2HB       LEU  39  -3.440 -13.682  -1.166
  261    HG   LEU  39           HG       LEU  39  -1.134 -12.812  -1.106
  262   1HD1  LEU  39          1HD1      LEU  39  -2.179 -10.032  -1.280
  263   2HD1  LEU  39          2HD1      LEU  39  -0.540 -10.639  -1.508
  264   3HD1  LEU  39          3HD1      LEU  39  -1.762 -10.912  -2.750
  265   1HD2  LEU  39          1HD2      LEU  39  -2.907 -11.078   0.592
  266   2HD2  LEU  39          2HD2      LEU  39  -2.643 -12.791   0.911
  267   3HD2  LEU  39          3HD2      LEU  39  -1.285 -11.667   0.959
  268    H    GLY  40           H        GLY  40  -5.061 -10.828  -3.940
  269   1HA   GLY  40          1HA       GLY  40  -6.200 -11.451  -5.836
  270   2HA   GLY  40          2HA       GLY  40  -6.254 -13.095  -5.219
  271    H    VAL  41           H        VAL  41  -7.477 -10.354  -3.403
  272    HA   VAL  41           HA       VAL  41 -10.208 -11.316  -3.960
  273    HB   VAL  41           HB       VAL  41  -9.146 -10.199  -1.354
  274   1HG1  VAL  41          1HG1      VAL  41 -11.573  -9.625  -2.097
  275   2HG1  VAL  41          2HG1      VAL  41 -11.902 -11.313  -1.714
  276   3HG1  VAL  41          3HG1      VAL  41 -11.287 -10.230  -0.465
  277   1HG2  VAL  41          1HG2      VAL  41  -9.881 -12.947  -2.285
  278   2HG2  VAL  41          2HG2      VAL  41  -8.455 -12.411  -1.396
  279   3HG2  VAL  41          3HG2      VAL  41 -10.015 -12.515  -0.580
  280    H    ASP  42           H        ASP  42 -11.736  -9.837  -4.431
  281    HA   ASP  42           HA       ASP  42 -10.839  -7.049  -4.763
  282   1HB   ASP  42          2HB       ASP  42 -11.644  -8.030  -6.835
  283    H    PHE  43           H        PHE  43 -11.891  -5.416  -3.735
  284    HA   PHE  43           HA       PHE  43 -14.352  -5.853  -2.278
  285   1HB   PHE  43          2HB       PHE  43 -13.280  -5.419  -0.064
  286    HD1  PHE  43           1HD      PHE  43 -10.515  -7.311  -1.480
  287    HD2  PHE  43           2HD      PHE  43 -11.727  -3.526   0.047
  288    HE1  PHE  43           1HE      PHE  43  -8.163  -6.643  -1.287
  289    HE2  PHE  43           2HE      PHE  43  -9.370  -2.851   0.249
  290    HZ   PHE  43           HZ       PHE  43  -7.585  -4.408  -0.420
  291    H    ALA  44           H        ALA  44 -15.169  -3.960  -1.312
  292    HA   ALA  44           HA       ALA  44 -13.906  -1.465  -2.249
  293   1HB   ALA  44          1HB       ALA  44 -16.693  -2.341  -2.026
  294   2HB   ALA  44          2HB       ALA  44 -16.391  -0.755  -1.316
  295   3HB   ALA  44          3HB       ALA  44 -15.987  -1.056  -3.005
  296    H    TYR  45           H        TYR  45 -13.048  -0.150  -0.721
  297    HA   TYR  45           HA       TYR  45 -13.796  -0.624   2.085
  298   1HB   TYR  45          2HB       TYR  45 -11.712  -1.918   1.291
  299    HD1  TYR  45           1HD      TYR  45  -9.335  -0.513   2.942
  300    HD2  TYR  45           2HD      TYR  45 -13.388  -1.528   3.735
  301    HE1  TYR  45           1HE      TYR  45  -8.826  -0.656   5.344
  302    HE2  TYR  45           2HE      TYR  45 -12.891  -1.667   6.137
  303    HH   TYR  45           HH       TYR  45  -9.672  -1.637   7.354
  304    H    SER  46           H        SER  46 -13.830   1.124   3.348
  305    HA   SER  46           HA       SER  46 -13.067   3.680   2.130
  306   1HB   SER  46          2HB       SER  46 -15.403   3.601   2.756
  307    HG   SER  46           HG       SER  46 -14.491   4.991   4.971
  308    H    LEU  47           H        LEU  47 -11.459   4.816   2.951
  309    HA   LEU  47           HA       LEU  47 -10.308   3.978   5.531
  310   1HB   LEU  47          2HB       LEU  47  -8.937   5.106   3.091
  311    HG   LEU  47           HG       LEU  47  -9.404   2.650   2.981
  312   1HD1  LEU  47          1HD1      LEU  47  -6.760   2.173   2.859
  313   2HD1  LEU  47          2HD1      LEU  47  -7.646   3.063   1.623
  314   3HD1  LEU  47          3HD1      LEU  47  -6.752   3.936   2.866
  315   1HD2  LEU  47          1HD2      LEU  47  -8.887   2.601   5.613
  316   2HD2  LEU  47          2HD2      LEU  47  -8.739   1.187   4.569
  317   3HD2  LEU  47          3HD2      LEU  47  -7.308   2.125   4.989
  318    H    ALA  48           H        ALA  48  -9.991   5.461   7.048
  319    HA   ALA  48           HA       ALA  48 -10.173   7.392   8.223
  320   1HB   ALA  48          1HB       ALA  48  -8.839   8.175   5.716
  321   2HB   ALA  48          2HB       ALA  48  -9.537   9.494   6.656
  322   3HB   ALA  48          3HB       ALA  48  -8.346   8.417   7.391
  323    H    ASP  49           H        ASP  49 -12.485   6.395   6.793
  324    HA   ASP  49           HA       ASP  49 -14.616   6.920   6.215
  325   1HB   ASP  49          2HB       ASP  49 -14.002   9.149   8.158
  326    H    GLY  50           H        GLY  50 -12.738   7.755   4.318
  327   1HA   GLY  50          1HA       GLY  50 -14.243   9.912   3.064
  328   2HA   GLY  50          2HA       GLY  50 -12.559  10.253   3.434
  329    H    THR  51           H        THR  51 -11.155   8.112   2.698
  330    HA   THR  51           HA       THR  51 -11.417   8.184  -0.164
  331    HB   THR  51           HB       THR  51  -9.361   7.022  -0.288
  332    HG1  THR  51           1HG      THR  51 -10.178   5.469   1.475
  333   1HG2  THR  51          1HG2      THR  51  -8.591   8.207   2.255
  334   2HG2  THR  51          2HG2      THR  51  -9.596   9.284   1.285
  335   3HG2  THR  51          3HG2      THR  51  -8.100   8.634   0.617
  336    H    GLU  52           H        GLU  52 -12.291   6.635  -1.498
  337    HA   GLU  52           HA       GLU  52 -13.152   4.142  -0.206
  338   1HB   GLU  52          2HB       GLU  52 -14.694   5.746  -2.259
  339   1HG   GLU  52          2HG       GLU  52 -15.363   5.074   0.595
  340    H    LEU  53           H        LEU  53 -11.563   2.886  -0.981
  341    HA   LEU  53           HA       LEU  53 -11.126   2.857  -3.873
  342   1HB   LEU  53          2HB       LEU  53  -9.455   1.980  -1.547
  343    HG   LEU  53           HG       LEU  53  -8.859   3.614  -4.009
  344   1HD1  LEU  53          1HD1      LEU  53  -9.836   4.417  -1.619
  345   2HD1  LEU  53          2HD1      LEU  53  -8.102   4.516  -1.311
  346   3HD1  LEU  53          3HD1      LEU  53  -8.812   5.412  -2.655
  347   1HD2  LEU  53          1HD2      LEU  53  -6.878   2.736  -1.915
  348   2HD2  LEU  53          2HD2      LEU  53  -7.053   1.957  -3.488
  349   3HD2  LEU  53          3HD2      LEU  53  -6.558   3.647  -3.391
  350    H    THR  54           H        THR  54 -11.829   1.224  -5.059
  351    HA   THR  54           HA       THR  54 -12.624  -1.288  -3.724
  352    HB   THR  54           HB       THR  54 -13.775  -0.261  -6.317
  353    HG1  THR  54           1HG      THR  54 -14.170   0.767  -3.914
  354   1HG2  THR  54          1HG2      THR  54 -14.203  -2.555  -6.136
  355   2HG2  THR  54          2HG2      THR  54 -15.670  -1.810  -5.504
  356   3HG2  THR  54          3HG2      THR  54 -14.466  -2.463  -4.395
  357    H    GLY  55           H        GLY  55 -11.043  -2.763  -4.204
  358   1HA   GLY  55          1HA       GLY  55 -10.342  -3.204  -6.957
  359   2HA   GLY  55          2HA       GLY  55  -9.070  -2.416  -6.043
  360    H    THR  56           H        THR  56  -8.640  -4.785  -7.257
  361    HA   THR  56           HA       THR  56  -8.596  -6.761  -5.082
  362    HB   THR  56           HB       THR  56  -9.593  -7.544  -7.211
  363    HG1  THR  56           1HG      THR  56  -8.794  -9.390  -6.602
  364   1HG2  THR  56          1HG2      THR  56  -8.697  -7.113  -9.203
  365   2HG2  THR  56          2HG2      THR  56  -7.167  -7.848  -8.727
  366   3HG2  THR  56          3HG2      THR  56  -7.471  -6.144  -8.391
  367    H    TRP  57           H        TRP  57  -6.626  -7.608  -4.390
  368    HA   TRP  57           HA       TRP  57  -4.220  -6.227  -5.396
  369   1HB   TRP  57          2HB       TRP  57  -4.939  -5.423  -3.162
  370    HD1  TRP  57           HD       TRP  57  -2.427  -7.958  -1.926
  371    HE1  TRP  57           1HE      TRP  57  -0.118  -6.846  -1.745
  372    HE3  TRP  57           3HE      TRP  57  -3.457  -3.553  -4.301
  373    HZ2  TRP  57           2HZ      TRP  57   1.109  -4.423  -2.507
  374    HZ3  TRP  57           3HZ      TRP  57  -1.663  -1.889  -4.531
  375    HH2  TRP  57           HH       TRP  57   0.575  -2.317  -3.654
  376    H    THR  58           H        THR  58  -2.419  -7.443  -5.780
  377    HA   THR  58           HA       THR  58  -2.394 -10.224  -4.851
  378    HB   THR  58           HB       THR  58  -1.521 -10.984  -7.044
  379    HG1  THR  58           1HG      THR  58  -0.938  -8.717  -7.662
  380   1HG2  THR  58          1HG2      THR  58  -3.609 -11.230  -8.089
  381   2HG2  THR  58          2HG2      THR  58  -4.193  -9.683  -7.476
  382   3HG2  THR  58          3HG2      THR  58  -3.986 -11.047  -6.376
  383    H    MET  59           H        MET  59  -0.326 -11.094  -4.561
  384    HA   MET  59           HA       MET  59   1.941  -9.338  -5.138
  385   1HB   MET  59          2HB       MET  59   1.482  -8.973  -2.784
  386   1HG   MET  59          2HG       MET  59   3.819 -10.840  -3.113
  387   1HE   MET  59          1HE       MET  59   5.943  -8.694  -0.874
  388   2HE   MET  59          2HE       MET  59   5.921 -10.377  -0.350
  389   3HE   MET  59          3HE       MET  59   5.893  -9.988  -2.071
  390    H    GLU  60           H        GLU  60   3.127 -10.443  -6.509
  391    HA   GLU  60           HA       GLU  60   3.313 -13.363  -6.244
  392   1HB   GLU  60          2HB       GLU  60   2.594 -12.489  -8.432
  393   1HG   GLU  60          2HG       GLU  60   5.375 -13.624  -8.549
  394    H    GLY  61           H        GLY  61   4.937 -13.861  -4.890
  395   1HA   GLY  61          1HA       GLY  61   7.084 -14.118  -4.116
  396   2HA   GLY  61          2HA       GLY  61   7.641 -13.429  -5.633
  397    H    ASN  62           H        ASN  62   7.653 -11.108  -5.820
  398    HA   ASN  62           HA       ASN  62   7.537  -9.571  -3.354
  399   1HB   ASN  62          2HB       ASN  62   9.766  -8.480  -3.953
  400   1HD2  ASN  62          1HD2      ASN  62  11.281 -11.339  -4.189
  401   2HD2  ASN  62          2HD2      ASN  62  11.748 -11.291  -5.862
  402    H    LYS  63           H        LYS  63   5.825  -9.626  -5.473
  403    HA   LYS  63           HA       LYS  63   6.284  -7.029  -6.750
  404   1HB   LYS  63          2HB       LYS  63   5.109  -9.546  -7.919
  405   1HG   LYS  63          2HG       LYS  63   7.528  -9.169  -8.231
  406   1HD   LYS  63          2HD       LYS  63   6.509  -6.608  -9.372
  407   1HE   LYS  63          2HE       LYS  63   8.759  -6.340 -10.409
  408   1HZ   LYS  63          1HZ       LYS  63   7.761  -6.889 -12.296
  409   2HZ   LYS  63          2HZ       LYS  63   6.556  -7.699 -11.422
  410   3HZ   LYS  63          3HZ       LYS  63   7.920  -8.544 -11.959
  411    H    LEU  64           H        LEU  64   4.916  -5.628  -6.001
  412    HA   LEU  64           HA       LEU  64   2.332  -6.530  -4.933
  413   1HB   LEU  64          2HB       LEU  64   3.925  -3.981  -4.570
  414    HG   LEU  64           HG       LEU  64   4.827  -6.011  -3.373
  415   1HD1  LEU  64          1HD1      LEU  64   3.751  -3.681  -1.772
  416   2HD1  LEU  64          2HD1      LEU  64   4.940  -4.838  -1.167
  417   3HD1  LEU  64          3HD1      LEU  64   5.332  -3.809  -2.546
  418   1HD2  LEU  64          1HD2      LEU  64   2.040  -5.973  -2.334
  419   2HD2  LEU  64          2HD2      LEU  64   3.104  -7.336  -2.689
  420   3HD2  LEU  64          3HD2      LEU  64   3.335  -6.397  -1.213
  421    H    VAL  65           H        VAL  65   0.854  -6.486  -6.508
  422    HA   VAL  65           HA       VAL  65   0.566  -4.053  -8.129
  423    HB   VAL  65           HB       VAL  65   0.498  -6.836  -9.315
  424   1HG1  VAL  65          1HG1      VAL  65  -0.501  -4.378 -10.230
  425   2HG1  VAL  65          2HG1      VAL  65   0.935  -4.723 -11.193
  426   3HG1  VAL  65          3HG1      VAL  65  -0.379  -5.897 -11.120
  427   1HG2  VAL  65          1HG2      VAL  65   2.794  -6.094  -8.567
  428   2HG2  VAL  65          2HG2      VAL  65   2.628  -6.496 -10.277
  429   3HG2  VAL  65          3HG2      VAL  65   2.670  -4.808  -9.769
  430    H    GLY  66           H        GLY  66  -1.522  -3.574  -8.698
  431   1HA   GLY  66          1HA       GLY  66  -3.603  -5.493  -8.730
  432   2HA   GLY  66          2HA       GLY  66  -3.692  -4.529  -7.261
  433    H    LYS  67           H        LYS  67  -5.602  -3.528  -7.828
  434    HA   LYS  67           HA       LYS  67  -5.257  -1.110  -9.252
  435   1HB   LYS  67          2HB       LYS  67  -5.638  -2.425 -11.246
  436   1HG   LYS  67          2HG       LYS  67  -8.313  -1.195 -10.647
  437   1HD   LYS  67          2HD       LYS  67  -7.972  -2.399 -12.809
  438   1HE   LYS  67          2HE       LYS  67  -5.943  -0.212 -13.239
  439   1HZ   LYS  67          1HZ       LYS  67  -5.735  -1.679 -15.396
  440   2HZ   LYS  67          2HZ       LYS  67  -6.799  -0.357 -15.317
  441   3HZ   LYS  67          3HZ       LYS  67  -7.387  -1.933 -15.107
  442    H    PHE  68           H        PHE  68  -6.299   0.258  -7.974
  443    HA   PHE  68           HA       PHE  68  -8.783  -0.667  -6.701
  444   1HB   PHE  68          2HB       PHE  68  -6.551   1.009  -5.564
  445    HD1  PHE  68           1HD      PHE  68  -8.411  -0.351  -3.035
  446    HD2  PHE  68           2HD      PHE  68  -5.673  -1.527  -6.069
  447    HE1  PHE  68           1HE      PHE  68  -7.817  -2.343  -1.720
  448    HE2  PHE  68           2HE      PHE  68  -5.078  -3.525  -4.766
  449    HZ   PHE  68           HZ       PHE  68  -6.149  -3.935  -2.585
  450    H    LYS  69           H        LYS  69 -10.484   0.663  -6.665
  451    HA   LYS  69           HA       LYS  69 -10.320   2.980  -8.449
  452   1HB   LYS  69          2HB       LYS  69 -11.820   1.114  -9.074
  453   1HG   LYS  69          2HG       LYS  69 -13.685   3.286  -8.235
  454   1HD   LYS  69          2HD       LYS  69 -13.393   1.477 -10.624
  455   1HE   LYS  69          2HE       LYS  69 -14.033   3.775 -11.305
  456   1HZ   LYS  69          1HZ       LYS  69 -16.616   4.006 -10.573
  457   2HZ   LYS  69          2HZ       LYS  69 -15.332   4.852  -9.857
  458   3HZ   LYS  69          3HZ       LYS  69 -15.916   3.427  -9.141
  459    H    ARG  70           H        ARG  70 -10.223   4.873  -7.488
  460    HA   ARG  70           HA       ARG  70 -11.272   5.249  -4.784
  461   1HB   ARG  70          2HB       ARG  70  -8.969   5.901  -5.167
  462   1HG   ARG  70          2HG       ARG  70  -8.994   8.346  -4.747
  463   1HD   ARG  70          2HD       ARG  70 -11.030   6.888  -3.087
  464    HE   ARG  70           HE       ARG  70 -10.887   8.855  -1.947
  465   1HH1  ARG  70          2HH1      ARG  70  -7.657   8.050  -3.069
  466   2HH1  ARG  70          1HH1      ARG  70  -6.929   9.461  -2.370
  467   1HH2  ARG  70          2HH2      ARG  70  -9.935  10.713  -1.053
  468   2HH2  ARG  70          1HH2      ARG  70  -8.226  11.001  -1.270
  469    H    VAL  71           H        VAL  71 -13.468   5.146  -5.696
  470    HA   VAL  71           HA       VAL  71 -14.371   6.882  -7.670
  471    HB   VAL  71           HB       VAL  71 -15.600   4.879  -7.033
  472   1HG1  VAL  71          1HG1      VAL  71 -17.131   5.069  -4.987
  473   2HG1  VAL  71          2HG1      VAL  71 -15.427   4.696  -4.713
  474   3HG1  VAL  71          3HG1      VAL  71 -16.027   6.333  -4.446
  475   1HG2  VAL  71          1HG2      VAL  71 -17.784   6.629  -6.439
  476   2HG2  VAL  71          2HG2      VAL  71 -16.718   7.388  -7.622
  477   3HG2  VAL  71          3HG2      VAL  71 -17.400   5.793  -7.943
  478    H    ASP  72           H        ASP  72 -14.295   7.360  -4.156
  479    HA   ASP  72           HA       ASP  72 -15.732   9.853  -4.307
  480   1HB   ASP  72          2HB       ASP  72 -15.718   8.259  -2.314
  481    H    ASN  73           H        ASN  73 -13.403   9.837  -5.973
  482    HA   ASN  73           HA       ASN  73 -12.346  12.358  -5.208
  483   1HB   ASN  73          2HB       ASN  73 -10.937  10.923  -3.749
  484   1HD2  ASN  73          1HD2      ASN  73  -8.343  10.684  -5.588
  485   2HD2  ASN  73          2HD2      ASN  73  -7.739  12.308  -5.529
  486    H    GLY  74           H        GLY  74 -11.852   9.456  -7.164
  487   1HA   GLY  74          1HA       GLY  74 -12.031  11.082  -9.552
  488   2HA   GLY  74          2HA       GLY  74 -10.475  10.294  -9.316
  489    H    LYS  75           H        LYS  75 -10.334   8.046  -9.430
  490    HA   LYS  75           HA       LYS  75 -12.564   6.370  -9.679
  491   1HB   LYS  75          2HB       LYS  75 -12.486   5.747 -12.009
  492   1HG   LYS  75          2HG       LYS  75 -10.595   8.021 -12.522
  493   1HD   LYS  75          2HD       LYS  75 -11.654   5.765 -14.221
  494   1HE   LYS  75          2HE       LYS  75  -9.757   7.991 -14.946
  495   1HZ   LYS  75          1HZ       LYS  75 -10.452   5.669 -16.631
  496   2HZ   LYS  75          2HZ       LYS  75  -9.753   7.147 -17.085
  497   3HZ   LYS  75          3HZ       LYS  75 -11.399   7.078 -16.667
  498    H    GLU  76           H        GLU  76  -9.125   6.879 -10.147
  499    HA   GLU  76           HA       GLU  76  -8.710   4.044  -9.557
  500   1HB   GLU  76          2HB       GLU  76  -7.776   5.523 -11.997
  501   1HG   GLU  76          2HG       GLU  76  -8.789   2.708 -11.737
  502    H    LEU  77           H        LEU  77  -7.435   3.949  -7.899
  503    HA   LEU  77           HA       LEU  77  -4.993   5.527  -7.916
  504   1HB   LEU  77          2HB       LEU  77  -6.426   6.645  -6.313
  505    HG   LEU  77           HG       LEU  77  -4.410   4.938  -4.839
  506   1HD1  LEU  77          1HD1      LEU  77  -3.937   6.823  -6.758
  507   2HD1  LEU  77          2HD1      LEU  77  -3.855   7.770  -5.273
  508   3HD1  LEU  77          3HD1      LEU  77  -2.813   6.362  -5.480
  509   1HD2  LEU  77          1HD2      LEU  77  -4.580   6.435  -3.019
  510   2HD2  LEU  77          2HD2      LEU  77  -5.613   7.538  -3.930
  511   3HD2  LEU  77          3HD2      LEU  77  -6.229   5.963  -3.429
  512    H    ILE  78           H        ILE  78  -3.594   3.972  -8.363
  513    HA   ILE  78           HA       ILE  78  -3.929   1.333  -7.096
  514    HB   ILE  78           HB       ILE  78  -2.445   2.035  -9.634
  515   1HG1  ILE  78          2HG1      ILE  78  -5.181   0.767  -9.366
  516   1HG2  ILE  78          1HG2      ILE  78  -1.786  -0.043  -8.366
  517   2HG2  ILE  78          2HG2      ILE  78  -3.398  -0.666  -8.719
  518   3HG2  ILE  78          3HG2      ILE  78  -2.290  -0.287 -10.038
  519   1HD1  ILE  78          1HD1      ILE  78  -5.391   0.967 -11.701
  520   2HD1  ILE  78          2HD1      ILE  78  -3.919   1.927 -11.829
  521   3HD1  ILE  78          3HD1      ILE  78  -3.821   0.216 -11.412
  522    H    ALA  79           H        ALA  79  -2.220   0.341  -6.070
  523    HA   ALA  79           HA       ALA  79   0.275   1.908  -5.859
  524   1HB   ALA  79          1HB       ALA  79  -1.175   1.292  -3.749
  525   2HB   ALA  79          2HB       ALA  79  -0.385  -0.274  -3.926
  526   3HB   ALA  79          3HB       ALA  79   0.585   1.179  -3.696
  527    H    VAL  80           H        VAL  80   2.031   1.006  -6.759
  528    HA   VAL  80           HA       VAL  80   2.118  -1.895  -7.200
  529    HB   VAL  80           HB       VAL  80   2.644   0.146  -9.381
  530   1HG1  VAL  80          1HG1      VAL  80   2.743  -2.848  -9.644
  531   2HG1  VAL  80          2HG1      VAL  80   3.267  -1.631 -10.807
  532   3HG1  VAL  80          3HG1      VAL  80   4.172  -1.868  -9.311
  533   1HG2  VAL  80          1HG2      VAL  80   0.623  -0.274 -10.252
  534   2HG2  VAL  80          2HG2      VAL  80   0.716  -1.997  -9.884
  535   3HG2  VAL  80          3HG2      VAL  80   0.218  -0.855  -8.636
  536    H    ARG  81           H        ARG  81   4.066  -2.708  -6.666
  537    HA   ARG  81           HA       ARG  81   6.480  -1.343  -7.232
  538   1HB   ARG  81          2HB       ARG  81   5.768  -0.074  -5.222
  539   1HG   ARG  81          2HG       ARG  81   7.828  -0.368  -3.897
  540   1HD   ARG  81          2HD       ARG  81   7.973  -0.237  -6.886
  541    HE   ARG  81           HE       ARG  81  10.212  -0.670  -5.219
  542   1HH1  ARG  81          2HH1      ARG  81   9.129   1.412  -7.830
  543   2HH1  ARG  81          1HH1      ARG  81  10.731   1.687  -8.438
  544   1HH2  ARG  81          2HH2      ARG  81  12.311  -0.352  -6.057
  545   2HH2  ARG  81          1HH2      ARG  81  12.539   0.703  -7.426
  546    H    GLU  82           H        GLU  82   8.308  -2.602  -6.999
  547    HA   GLU  82           HA       GLU  82   7.821  -5.382  -6.188
  548   1HB   GLU  82          2HB       GLU  82   9.668  -6.026  -7.587
  549   1HG   GLU  82          2HG       GLU  82  10.891  -3.711  -7.111
  550    H    ILE  83           H        ILE  83   9.374  -6.383  -4.808
  551    HA   ILE  83           HA       ILE  83  10.810  -4.441  -3.118
  552    HB   ILE  83           HB       ILE  83   9.976  -7.291  -2.512
  553   1HG1  ILE  83          2HG1      ILE  83   8.642  -5.957  -0.693
  554   1HG2  ILE  83          1HG2      ILE  83  10.837  -7.013  -0.324
  555   2HG2  ILE  83          2HG2      ILE  83  12.114  -6.520  -1.435
  556   3HG2  ILE  83          3HG2      ILE  83  11.157  -5.300  -0.592
  557   1HD1  ILE  83          1HD1      ILE  83   6.694  -5.919  -1.979
  558   2HD1  ILE  83          2HD1      ILE  83   7.585  -5.686  -3.482
  559   3HD1  ILE  83          3HD1      ILE  83   7.657  -7.236  -2.644
  560    H    SER  84           H        SER  84  12.936  -4.299  -3.499
  561    HA   SER  84           HA       SER  84  14.339  -6.628  -4.623
  562   1HB   SER  84          2HB       SER  84  15.314  -3.769  -4.515
  563    HG   SER  84           HG       SER  84  13.884  -5.114  -6.579
  564    H    GLY  85           H        GLY  85  15.747  -7.724  -3.376
  565   1HA   GLY  85          1HA       GLY  85  16.999  -8.315  -1.531
  566   2HA   GLY  85          2HA       GLY  85  17.436  -6.613  -1.394
  567    H    ASN  86           H        ASN  86  16.891  -5.742   0.487
  568    HA   ASN  86           HA       ASN  86  14.182  -6.269   1.397
  569   1HB   ASN  86          2HB       ASN  86  15.007  -5.973   3.825
  570   1HD2  ASN  86          1HD2      ASN  86  17.125  -8.412   3.415
  571   2HD2  ASN  86          2HD2      ASN  86  18.613  -7.571   3.692
  572    H    GLU  87           H        GLU  87  13.431  -4.464   0.632
  573    HA   GLU  87           HA       GLU  87  13.606  -2.133   2.160
  574   1HB   GLU  87          2HB       GLU  87  14.376  -0.571   0.342
  575   1HG   GLU  87          2HG       GLU  87  16.177  -1.780  -1.130
  576    H    LEU  88           H        LEU  88  12.114  -0.402   1.082
  577    HA   LEU  88           HA       LEU  88  10.353  -1.608  -0.876
  578   1HB   LEU  88          2HB       LEU  88   9.423  -2.382   1.254
  579    HG   LEU  88           HG       LEU  88   7.809  -0.345  -0.249
  580   1HD1  LEU  88          1HD1      LEU  88   6.972  -3.149  -0.051
  581   2HD1  LEU  88          2HD1      LEU  88   7.029  -2.068  -1.442
  582   3HD1  LEU  88          3HD1      LEU  88   8.498  -2.869  -0.889
  583   1HD2  LEU  88          1HD2      LEU  88   7.297  -1.144   2.401
  584   2HD2  LEU  88          2HD2      LEU  88   6.249  -0.234   1.314
  585   3HD2  LEU  88          3HD2      LEU  88   6.144  -1.993   1.371
  586    H    ILE  89           H        ILE  89   9.858  -0.175  -2.304
  587    HA   ILE  89           HA       ILE  89   9.630   2.662  -1.549
  588    HB   ILE  89           HB       ILE  89   9.965   1.434  -4.305
  589   1HG1  ILE  89          2HG1      ILE  89  11.890   3.018  -2.592
  590   1HG2  ILE  89          1HG2      ILE  89  10.339   3.831  -4.995
  591   2HG2  ILE  89          2HG2      ILE  89   8.681   3.403  -4.572
  592   3HG2  ILE  89          3HG2      ILE  89   9.680   4.297  -3.427
  593   1HD1  ILE  89          1HD1      ILE  89  12.328   1.911  -5.355
  594   2HD1  ILE  89          2HD1      ILE  89  12.183   3.621  -4.939
  595   3HD1  ILE  89          3HD1      ILE  89  13.541   2.677  -4.328
  596    H    GLN  90           H        GLN  90   7.674   3.726  -2.517
  597    HA   GLN  90           HA       GLN  90   5.520   1.792  -3.026
  598   1HB   GLN  90          2HB       GLN  90   5.488   2.378  -0.652
  599   1HG   GLN  90          2HG       GLN  90   3.241   3.315  -0.420
  600   1HE2  GLN  90          1HE2      GLN  90   2.259   1.512   0.071
  601   2HE2  GLN  90          2HE2      GLN  90   2.016   0.162  -0.988
  602    H    THR  91           H        THR  91   4.449   2.283  -4.808
  603    HA   THR  91           HA       THR  91   4.493   5.068  -5.767
  604    HB   THR  91           HB       THR  91   3.644   2.912  -7.609
  605    HG1  THR  91           1HG      THR  91   5.396   1.788  -7.109
  606   1HG2  THR  91          1HG2      THR  91   3.741   4.948  -8.669
  607   2HG2  THR  91          2HG2      THR  91   5.348   4.316  -9.026
  608   3HG2  THR  91          3HG2      THR  91   5.132   5.494  -7.732
  609    H    TYR  92           H        TYR  92   2.657   6.122  -5.795
  610    HA   TYR  92           HA       TYR  92   0.142   4.610  -5.771
  611   1HB   TYR  92          2HB       TYR  92   0.631   7.489  -4.963
  612    HD1  TYR  92           1HD      TYR  92   2.370   6.651  -3.331
  613    HD2  TYR  92           2HD      TYR  92  -1.702   5.429  -3.175
  614    HE1  TYR  92           1HE      TYR  92   2.683   5.921  -1.007
  615    HE2  TYR  92           2HE      TYR  92  -1.398   4.693  -0.851
  616    HH   TYR  92           HH       TYR  92   0.373   5.495   1.098
  617    H    THR  93           H        THR  93  -0.612   4.400  -7.731
  618    HA   THR  93           HA       THR  93  -0.101   6.506  -9.712
  619    HB   THR  93           HB       THR  93  -1.224   3.748 -10.227
  620    HG1  THR  93           1HG      THR  93   1.069   4.069  -9.246
  621   1HG2  THR  93          1HG2      THR  93  -0.584   6.065 -11.863
  622   2HG2  THR  93          2HG2      THR  93  -1.497   4.613 -12.274
  623   3HG2  THR  93          3HG2      THR  93   0.263   4.616 -12.407
  624    H    TYR  94           H        TYR  94  -1.673   7.989  -9.542
  625    HA   TYR  94           HA       TYR  94  -4.446   7.024  -9.437
  626   1HB   TYR  94          2HB       TYR  94  -4.114   8.474  -7.577
  627    HD1  TYR  94           1HD      TYR  94  -4.395  11.590  -8.966
  628    HD2  TYR  94           2HD      TYR  94  -6.589   7.942  -8.699
  629    HE1  TYR  94           1HE      TYR  94  -6.474  12.811  -9.437
  630    HE2  TYR  94           2HE      TYR  94  -8.671   9.166  -9.172
  631    HH   TYR  94           HH       TYR  94  -8.981  11.763 -10.584
  632    H    GLU  95           H        GLU  95  -5.562   7.139 -11.210
  633    HA   GLU  95           HA       GLU  95  -6.241   7.641 -13.320
  634   1HB   GLU  95          2HB       GLU  95  -6.680   9.758 -11.868
  635   1HG   GLU  95          2HG       GLU  95  -6.599  10.077 -14.860
  636    H    GLY  96           H        GLY  96  -3.799   6.518 -13.419
  637   1HA   GLY  96          1HA       GLY  96  -2.273   6.147 -15.121
  638   2HA   GLY  96          2HA       GLY  96  -2.781   7.650 -15.868
  639    H    VAL  97           H        VAL  97  -2.139   8.758 -12.942
  640    HA   VAL  97           HA       VAL  97   0.653   9.347 -13.658
  641    HB   VAL  97           HB       VAL  97  -0.972  10.756 -11.556
  642   1HG1  VAL  97          1HG1      VAL  97   1.221  11.375 -11.247
  643   2HG1  VAL  97          2HG1      VAL  97   1.608  11.273 -12.965
  644   3HG1  VAL  97          3HG1      VAL  97   0.658  12.628 -12.355
  645   1HG2  VAL  97          1HG2      VAL  97  -1.248  10.894 -14.454
  646   2HG2  VAL  97          2HG2      VAL  97  -2.306  11.509 -13.183
  647   3HG2  VAL  97          3HG2      VAL  97  -0.920  12.462 -13.713
  648    H    GLU  98           H        GLU  98   2.194   8.297 -12.580
  649    HA   GLU  98           HA       GLU  98   1.527   7.248  -9.923
  650   1HB   GLU  98          2HB       GLU  98   3.410   5.686 -10.234
  651   1HG   GLU  98          2HG       GLU  98   3.588   6.770 -13.036
  652    H    ALA  99           H        ALA  99   2.580   7.834  -8.168
  653    HA   ALA  99           HA       ALA  99   5.067   9.375  -8.416
  654   1HB   ALA  99          1HB       ALA  99   3.795  11.184  -7.871
  655   2HB   ALA  99          2HB       ALA  99   2.540  10.211  -7.106
  656   3HB   ALA  99          3HB       ALA  99   4.039  10.554  -6.244
  657    H    LYS 100           H        LYS 100   6.613   8.744  -6.937
  658    HA   LYS 100           HA       LYS 100   5.744   6.834  -4.887
  659   1HB   LYS 100          2HB       LYS 100   7.650   5.357  -5.484
  660   1HG   LYS 100          2HG       LYS 100   7.775   6.882  -8.069
  661   1HD   LYS 100          2HD       LYS 100   9.455   4.654  -6.926
  662   1HE   LYS 100          2HE       LYS 100  10.622   6.291  -8.435
  663   1HZ   LYS 100          1HZ       LYS 100   8.910   6.821  -9.976
  664   2HZ   LYS 100          2HZ       LYS 100   8.686   5.191 -10.396
  665   3HZ   LYS 100          3HZ       LYS 100  10.119   5.989 -10.826
  666    H    ARG 101           H        ARG 101   6.907   6.665  -3.088
  667    HA   ARG 101           HA       ARG 101   9.228   8.446  -2.766
  668   1HB   ARG 101          2HB       ARG 101   7.208   9.307  -1.568
  669   1HG   ARG 101          2HG       ARG 101   9.327   8.303   0.320
  670   1HD   ARG 101          2HD       ARG 101   7.416  10.621   0.541
  671    HE   ARG 101           HE       ARG 101   9.813  10.255   1.888
  672   1HH1  ARG 101          2HH1      ARG 101   6.422  10.589   2.727
  673   2HH1  ARG 101          1HH1      ARG 101   6.746  11.413   4.229
  674   1HH2  ARG 101          2HH2      ARG 101  10.243  11.310   3.850
  675   2HH2  ARG 101          1HH2      ARG 101   8.934  11.801   4.886
  676    H    ILE 102           H        ILE 102  10.902   7.578  -1.428
  677    HA   ILE 102           HA       ILE 102  10.829   4.665  -1.481
  678    HB   ILE 102           HB       ILE 102  12.610   5.688  -2.737
  679   1HG1  ILE 102          2HG1      ILE 102  13.007   3.585  -1.190
  680   1HG2  ILE 102          1HG2      ILE 102  14.434   6.816  -1.090
  681   2HG2  ILE 102          2HG2      ILE 102  13.240   7.707  -2.034
  682   3HG2  ILE 102          3HG2      ILE 102  12.923   7.331  -0.339
  683   1HD1  ILE 102          1HD1      ILE 102  13.952   5.375   0.606
  684   2HD1  ILE 102          2HD1      ILE 102  14.441   3.682   0.514
  685   3HD1  ILE 102          3HD1      ILE 102  15.428   4.930  -0.250
  686    H    PHE 103           H        PHE 103  11.038   3.388   0.208
  687    HA   PHE 103           HA       PHE 103  11.687   4.522   2.834
  688   1HB   PHE 103          2HB       PHE 103   9.506   2.471   2.370
  689    HD1  PHE 103           1HD      PHE 103   7.844   3.354   1.023
  690    HD2  PHE 103           2HD      PHE 103   9.627   5.805   4.012
  691    HE1  PHE 103           1HE      PHE 103   6.191   5.115   0.559
  692    HE2  PHE 103           2HE      PHE 103   7.973   7.567   3.556
  693    HZ   PHE 103           HZ       PHE 103   6.251   7.224   1.829
  694    H    LYS 104           H        LYS 104  12.258   2.683   4.392
  695    HA   LYS 104           HA       LYS 104  13.374   0.369   3.027
  696   1HB   LYS 104          2HB       LYS 104  15.614   0.863   4.194
  697   1HG   LYS 104          2HG       LYS 104  16.229   3.196   4.417
  698   1HD   LYS 104          2HD       LYS 104  13.754   2.728   6.076
  699   1HE   LYS 104          2HE       LYS 104  16.290   4.269   6.627
  700   1HZ   LYS 104          1HZ       LYS 104  15.053   4.993   8.612
  701   2HZ   LYS 104          2HZ       LYS 104  15.399   3.333   8.631
  702   3HZ   LYS 104          3HZ       LYS 104  13.835   3.866   8.253
  703    H    LYS 105           H        LYS 105  14.445  -1.153   4.577
  704    HA   LYS 105           HA       LYS 105  12.636  -1.917   6.573
  705   1HB   LYS 105          2HB       LYS 105  13.997  -3.582   5.590
  706   1HG   LYS 105          2HG       LYS 105  15.285  -4.636   7.361
  707   1HD   LYS 105          2HD       LYS 105  12.774  -3.378   8.457
  708   1HE   LYS 105          2HE       LYS 105  12.633  -5.335   9.851
  709   1HZ   LYS 105          1HZ       LYS 105  15.299  -4.031   9.968
  710   2HZ   LYS 105          2HZ       LYS 105  14.742  -5.107  11.152
  711   3HZ   LYS 105          3HZ       LYS 105  13.916  -3.651  10.874
  712    H    GLU 106           H        GLU 106  12.382  -1.352   8.637
  713    HA   GLU 106           HA       GLU 106  14.320   0.492   9.826
  714   1HB   GLU 106          2HB       GLU 106  12.019   1.291   9.722
  715   1HG   GLU 106          2HG       GLU 106  11.486   1.668  12.099
  Start of MODEL    5
    1   1H    ALA   1          1H        ALA   1   9.814 -12.418   3.144
    2   2H    ALA   1          2H        ALA   1   8.895 -13.760   3.617
    3   3H    ALA   1          3H        ALA   1   9.623 -12.776   4.791
    4    HA   ALA   1           HA       ALA   1   7.651 -11.698   2.889
    5   1HB   ALA   1          1HB       ALA   1   6.136 -11.981   5.055
    6   2HB   ALA   1          2HB       ALA   1   6.238 -13.226   3.810
    7   3HB   ALA   1          3HB       ALA   1   7.186 -13.379   5.289
    8    H    PHE   2           H        PHE   2   6.342 -10.494   5.285
    9    HA   PHE   2           HA       PHE   2   8.359  -8.415   5.748
   10   1HB   PHE   2          2HB       PHE   2   5.343  -8.305   5.845
   11    HD1  PHE   2           1HD      PHE   2   6.909  -5.301   4.964
   12    HD2  PHE   2           2HD      PHE   2   5.841  -9.103   3.380
   13    HE1  PHE   2           1HE      PHE   2   7.001  -4.375   2.686
   14    HE2  PHE   2           2HE      PHE   2   5.942  -8.187   1.099
   15    HZ   PHE   2           HZ       PHE   2   6.521  -5.820   0.751
   16    H    ASP   3           H        ASP   3   5.632  -8.369   7.797
   17    HA   ASP   3           HA       ASP   3   5.346  -8.605  10.036
   18   1HB   ASP   3          2HB       ASP   3   6.048 -11.050   9.421
   19    H    GLY   4           H        GLY   4   6.673  -6.481   9.383
   20   1HA   GLY   4          1HA       GLY   4   8.518  -6.025  11.541
   21   2HA   GLY   4          2HA       GLY   4   9.290  -6.075   9.961
   22    H    THR   5           H        THR   5   9.444  -3.794  11.424
   23    HA   THR   5           HA       THR   5   7.441  -1.999  10.243
   24    HB   THR   5           HB       THR   5   8.458  -0.278  11.762
   25    HG1  THR   5           1HG      THR   5  10.458  -1.723  11.947
   26   1HG2  THR   5          1HG2      THR   5   7.211  -2.780  12.850
   27   2HG2  THR   5          2HG2      THR   5   6.483  -1.191  12.605
   28   3HG2  THR   5          3HG2      THR   5   7.636  -1.441  13.917
   29    H    TRP   6           H        TRP   6   7.973  -0.890   8.501
   30    HA   TRP   6           HA       TRP   6  10.830  -0.668   7.777
   31   1HB   TRP   6          2HB       TRP   6   8.378  -0.880   6.002
   32    HD1  TRP   6           HD       TRP   6   9.385  -3.225   8.125
   33    HE1  TRP   6           1HE      TRP   6   9.897  -5.552   7.141
   34    HE3  TRP   6           3HE      TRP   6  10.066  -1.903   3.233
   35    HZ2  TRP   6           2HZ      TRP   6  10.494  -6.670   4.626
   36    HZ3  TRP   6           3HZ      TRP   6  10.599  -3.667   1.604
   37    HH2  TRP   6           HH       TRP   6  10.808  -5.999   2.286
   38    H    LYS   7           H        LYS   7  11.409   1.396   8.356
   39    HA   LYS   7           HA       LYS   7  10.270   3.575   6.946
   40   1HB   LYS   7          2HB       LYS   7   9.341   3.105   9.700
   41   1HG   LYS   7          2HG       LYS   7   7.644   3.194   8.083
   42   1HD   LYS   7          2HD       LYS   7   9.118   4.405   6.390
   43   1HE   LYS   7          2HE       LYS   7   7.729   6.853   7.397
   44   1HZ   LYS   7          1HZ       LYS   7   9.789   7.789   6.169
   45   2HZ   LYS   7          2HZ       LYS   7   8.443   7.273   5.281
   46   3HZ   LYS   7          3HZ       LYS   7   9.807   6.274   5.403
   47    H    VAL   8           H        VAL   8  11.069   5.673   7.717
   48    HA   VAL   8           HA       VAL   8  13.878   5.558   8.554
   49    HB   VAL   8           HB       VAL   8  12.312   7.863   7.347
   50   1HG1  VAL   8          1HG1      VAL   8  14.030   9.024   8.217
   51   2HG1  VAL   8          2HG1      VAL   8  15.039   7.591   8.418
   52   3HG1  VAL   8          3HG1      VAL   8  14.932   8.381   6.844
   53   1HG2  VAL   8          1HG2      VAL   8  13.232   7.388   5.243
   54   2HG2  VAL   8          2HG2      VAL   8  14.408   6.255   5.909
   55   3HG2  VAL   8          3HG2      VAL   8  12.700   5.823   5.855
   56    H    GLY   9           H        GLY   9  14.492   6.692  10.388
   57   1HA   GLY   9          1HA       GLY   9  12.905   6.759  12.561
   58   2HA   GLY   9          2HA       GLY   9  14.277   7.839  12.387
   59    H    GLY  10           H        GLY  10  11.219   7.808  13.268
   60   1HA   GLY  10          1HA       GLY  10  10.357  10.137  13.744
   61   2HA   GLY  10          2HA       GLY  10  10.565  10.401  12.017
   62    H    LEU  11           H        LEU  11   9.619   8.124  10.915
   63    HA   LEU  11           HA       LEU  11   6.791   8.122  11.754
   64   1HB   LEU  11          2HB       LEU  11   7.567   7.075   9.085
   65    HG   LEU  11           HG       LEU  11   8.794   9.159   8.929
   66   1HD1  LEU  11          1HD1      LEU  11   6.154   8.976   7.537
   67   2HD1  LEU  11          2HD1      LEU  11   7.221  10.352   7.252
   68   3HD1  LEU  11          3HD1      LEU  11   7.782   8.716   6.909
   69   1HD2  LEU  11          1HD2      LEU  11   6.244  10.443   9.932
   70   2HD2  LEU  11          2HD2      LEU  11   7.803  10.405  10.753
   71   3HD2  LEU  11          3HD2      LEU  11   7.617  11.323   9.259
   72    H    LYS  12           H        LYS  12   5.666   6.004  11.294
   73    HA   LYS  12           HA       LYS  12   7.505   3.737  11.380
   74   1HB   LYS  12          2HB       LYS  12   6.199   2.592  13.094
   75   1HG   LYS  12          2HG       LYS  12   4.715   5.173  13.522
   76   1HD   LYS  12          2HD       LYS  12   3.447   3.880  15.154
   77   1HE   LYS  12          2HE       LYS  12   6.425   3.685  15.582
   78   1HZ   LYS  12          1HZ       LYS  12   5.791   3.836  17.955
   79   2HZ   LYS  12          2HZ       LYS  12   5.332   2.372  17.225
   80   3HZ   LYS  12          3HZ       LYS  12   4.175   3.577  17.513
   81    H    LEU  13           H        LEU  13   6.922   2.047  10.211
   82    HA   LEU  13           HA       LEU  13   4.195   1.907   9.147
   83   1HB   LEU  13          2HB       LEU  13   5.981   2.896   7.522
   84    HG   LEU  13           HG       LEU  13   3.773   2.059   6.693
   85   1HD1  LEU  13          1HD1      LEU  13   6.077   2.661   5.306
   86   2HD1  LEU  13          2HD1      LEU  13   5.514   1.171   4.547
   87   3HD1  LEU  13          3HD1      LEU  13   4.448   2.574   4.636
   88   1HD2  LEU  13          1HD2      LEU  13   5.118  -0.431   5.759
   89   2HD2  LEU  13          2HD2      LEU  13   4.458  -0.387   7.394
   90   3HD2  LEU  13          3HD2      LEU  13   3.403  -0.098   6.010
   91    H    THR  14           H        THR  14   3.399  -0.126   9.307
   92    HA   THR  14           HA       THR  14   5.300  -2.289   9.892
   93    HB   THR  14           HB       THR  14   2.732  -1.899  11.413
   94    HG1  THR  14           1HG      THR  14   5.111  -0.577  11.643
   95   1HG2  THR  14          1HG2      THR  14   3.874  -3.395  13.044
   96   2HG2  THR  14          2HG2      THR  14   5.203  -3.570  11.898
   97   3HG2  THR  14          3HG2      THR  14   3.594  -4.159  11.479
   98    H    ILE  15           H        ILE  15   4.934  -4.038   8.738
   99    HA   ILE  15           HA       ILE  15   2.206  -4.558   7.761
  100    HB   ILE  15           HB       ILE  15   4.753  -5.116   6.227
  101   1HG1  ILE  15          2HG1      ILE  15   2.572  -3.096   5.651
  102   1HG2  ILE  15          1HG2      ILE  15   2.022  -5.288   5.048
  103   2HG2  ILE  15          2HG2      ILE  15   3.499  -6.141   4.601
  104   3HG2  ILE  15          3HG2      ILE  15   2.609  -6.617   6.047
  105   1HD1  ILE  15          1HD1      ILE  15   3.668  -3.963   3.624
  106   2HD1  ILE  15          2HD1      ILE  15   3.986  -2.251   3.910
  107   3HD1  ILE  15          3HD1      ILE  15   5.223  -3.454   4.279
  108    H    THR  16           H        THR  16   1.498  -6.392   8.626
  109    HA   THR  16           HA       THR  16   3.438  -8.544   9.102
  110    HB   THR  16           HB       THR  16   1.153  -7.861  10.966
  111    HG1  THR  16           1HG      THR  16   2.465  -6.362  11.673
  112   1HG2  THR  16          1HG2      THR  16   3.537  -9.587  11.567
  113   2HG2  THR  16          2HG2      THR  16   2.085 -10.250  10.816
  114   3HG2  THR  16          3HG2      THR  16   1.991  -9.503  12.412
  115    H    GLN  17           H        GLN  17   2.813 -10.463   8.290
  116    HA   GLN  17           HA       GLN  17   0.021 -10.675   7.409
  117   1HB   GLN  17          2HB       GLN  17   0.736 -12.158   5.631
  118   1HG   GLN  17          2HG       GLN  17   2.739 -13.128   6.780
  119   1HE2  GLN  17          1HE2      GLN  17   4.516 -12.754   7.876
  120   2HE2  GLN  17          2HE2      GLN  17   5.561 -11.388   7.674
  121    H    GLU  18           H        GLU  18  -1.174 -12.327   8.005
  122    HA   GLU  18           HA       GLU  18   0.050 -14.408   9.679
  123   1HB   GLU  18          2HB       GLU  18  -2.487 -14.707  10.337
  124   1HG   GLU  18          2HG       GLU  18  -2.390 -11.865   9.365
  125    H    GLY  19           H        GLY  19   0.675 -15.718   8.027
  126   1HA   GLY  19          1HA       GLY  19   0.341 -17.484   6.527
  127   2HA   GLY  19          2HA       GLY  19  -1.398 -17.201   6.602
  128    H    ASN  20           H        ASN  20  -2.328 -16.039   5.061
  129    HA   ASN  20           HA       ASN  20  -0.645 -14.248   3.468
  130   1HB   ASN  20          2HB       ASN  20  -2.841 -16.030   2.379
  131   1HD2  ASN  20          1HD2      ASN  20  -0.685 -15.349   0.058
  132   2HD2  ASN  20          2HD2      ASN  20   0.384 -16.703   0.218
  133    H    LYS  21           H        LYS  21  -1.271 -12.480   4.516
  134    HA   LYS  21           HA       LYS  21  -3.781 -11.310   3.924
  135   1HB   LYS  21          2HB       LYS  21  -4.495 -12.822   5.757
  136   1HG   LYS  21          2HG       LYS  21  -4.430 -10.024   6.843
  137   1HD   LYS  21          2HD       LYS  21  -6.691 -11.983   6.973
  138   1HE   LYS  21          2HE       LYS  21  -6.917  -9.550   7.626
  139   1HZ   LYS  21          1HZ       LYS  21  -5.944  -8.794   9.590
  140   2HZ   LYS  21          2HZ       LYS  21  -4.667  -9.562   8.781
  141   3HZ   LYS  21          3HZ       LYS  21  -5.448 -10.345  10.064
  142    H    PHE  22           H        PHE  22  -2.848  -9.433   3.335
  143    HA   PHE  22           HA       PHE  22  -0.630  -8.469   4.974
  144   1HB   PHE  22          2HB       PHE  22  -1.382  -8.107   2.095
  145    HD1  PHE  22           1HD      PHE  22   1.829  -7.359   2.090
  146    HD2  PHE  22           2HD      PHE  22  -0.603 -10.705   3.119
  147    HE1  PHE  22           1HE      PHE  22   3.722  -8.866   1.656
  148    HE2  PHE  22           2HE      PHE  22   1.290 -12.214   2.680
  149    HZ   PHE  22           HZ       PHE  22   3.455 -11.295   1.951
  150    H    THR  23           H        THR  23  -0.450  -6.350   5.613
  151    HA   THR  23           HA       THR  23  -2.544  -4.477   5.078
  152    HB   THR  23           HB       THR  23  -3.525  -5.827   6.930
  153    HG1  THR  23           1HG      THR  23  -3.716  -3.391   6.613
  154   1HG2  THR  23          1HG2      THR  23  -0.919  -5.510   8.060
  155   2HG2  THR  23          2HG2      THR  23  -2.272  -6.477   8.646
  156   3HG2  THR  23          3HG2      THR  23  -2.111  -4.792   9.143
  157    H    VAL  24           H        VAL  24  -1.730  -2.503   5.070
  158    HA   VAL  24           HA       VAL  24   1.043  -2.181   5.976
  159    HB   VAL  24           HB       VAL  24  -0.557  -0.561   3.977
  160   1HG1  VAL  24          1HG1      VAL  24   1.014   0.997   4.094
  161   2HG1  VAL  24          2HG1      VAL  24   1.795   0.106   5.400
  162   3HG1  VAL  24          3HG1      VAL  24   2.255  -0.201   3.724
  163   1HG2  VAL  24          1HG2      VAL  24   0.356  -1.772   2.280
  164   2HG2  VAL  24          2HG2      VAL  24   1.818  -2.155   3.190
  165   3HG2  VAL  24          3HG2      VAL  24   0.321  -3.025   3.519
  166    H    LYS  25           H        LYS  25   1.397  -1.001   7.724
  167    HA   LYS  25           HA       LYS  25  -0.703   0.822   8.671
  168   1HB   LYS  25          2HB       LYS  25   0.044  -0.875  10.262
  169   1HG   LYS  25          2HG       LYS  25   1.051   1.868  10.977
  170   1HD   LYS  25          2HD       LYS  25   0.742  -0.610  12.661
  171   1HE   LYS  25          2HE       LYS  25   1.294   2.212  13.570
  172   1HZ   LYS  25          1HZ       LYS  25   2.392   0.384  14.828
  173   2HZ   LYS  25          2HZ       LYS  25   0.858  -0.232  15.193
  174   3HZ   LYS  25          3HZ       LYS  25   1.304   1.303  15.750
  175    H    GLU  26           H        GLU  26  -0.387   2.759   7.722
  176    HA   GLU  26           HA       GLU  26   2.364   3.751   7.502
  177   1HB   GLU  26          2HB       GLU  26   0.897   3.594   5.458
  178   1HG   GLU  26          2HG       GLU  26   2.719   5.547   6.060
  179    H    SER  27           H        SER  27   3.045   5.474   8.582
  180    HA   SER  27           HA       SER  27   1.127   7.197   9.971
  181   1HB   SER  27          2HB       SER  27   3.591   6.097  11.341
  182    HG   SER  27           HG       SER  27   2.125   4.390  10.951
  183    H    SER  28           H        SER  28   1.785   9.329  10.068
  184    HA   SER  28           HA       SER  28   4.526  10.086   9.618
  185   1HB   SER  28          2HB       SER  28   2.448  10.713   7.503
  186    HG   SER  28           HG       SER  28   3.994   8.652   7.676
  187    H    ASN  29           H        ASN  29   4.928  11.930  10.595
  188    HA   ASN  29           HA       ASN  29   4.755  13.956  11.560
  189   1HB   ASN  29          2HB       ASN  29   2.274  14.103   9.856
  190   1HD2  ASN  29          1HD2      ASN  29   3.927  16.903   9.828
  191   2HD2  ASN  29          2HD2      ASN  29   4.945  16.639   8.449
  192    H    PHE  30           H        PHE  30   1.361  12.808  11.501
  193    HA   PHE  30           HA       PHE  30   1.258  12.340  14.295
  194   1HB   PHE  30          2HB       PHE  30   1.364  14.869  14.213
  195    HD1  PHE  30           1HD      PHE  30  -1.794  15.648  14.816
  196    HD2  PHE  30           2HD      PHE  30   1.130  12.952  16.332
  197    HE1  PHE  30           1HE      PHE  30  -2.935  15.641  16.996
  198    HE2  PHE  30           2HE      PHE  30  -0.009  12.940  18.511
  199    HZ   PHE  30           HZ       PHE  30  -2.040  14.287  18.848
  200    H    ARG  31           H        ARG  31   0.562  10.634  12.513
  201    HA   ARG  31           HA       ARG  31  -2.259  10.274  12.812
  202   1HB   ARG  31          2HB       ARG  31  -2.862  10.321  10.455
  203   1HG   ARG  31          2HG       ARG  31   0.000  11.113  10.027
  204   1HD   ARG  31          2HD       ARG  31  -2.329  11.316   8.127
  205    HE   ARG  31           HE       ARG  31   0.108  12.266   7.082
  206   1HH1  ARG  31          2HH1      ARG  31  -1.663   9.282   7.620
  207   2HH1  ARG  31          1HH1      ARG  31  -0.655   8.340   6.545
  208   1HH2  ARG  31          2HH2      ARG  31   1.406  11.027   5.635
  209   2HH2  ARG  31          1HH2      ARG  31   1.091   9.318   5.450
  210    H    ASN  32           H        ASN  32  -2.976   8.239  11.711
  211    HA   ASN  32           HA       ASN  32  -0.947   6.479  10.718
  212   1HB   ASN  32          2HB       ASN  32  -1.285   4.700  12.438
  213   1HD2  ASN  32          1HD2      ASN  32  -3.760   6.734  12.715
  214   2HD2  ASN  32          2HD2      ASN  32  -4.196   6.469  14.369
  215    H    ILE  33           H        ILE  33  -1.772   4.899   9.466
  216    HA   ILE  33           HA       ILE  33  -4.617   4.277   9.548
  217    HB   ILE  33           HB       ILE  33  -4.630   6.330   8.281
  218   1HG1  ILE  33          2HG1      ILE  33  -4.842   3.980   6.389
  219   1HG2  ILE  33          1HG2      ILE  33  -2.145   6.013   7.625
  220   2HG2  ILE  33          2HG2      ILE  33  -2.804   5.208   6.202
  221   3HG2  ILE  33          3HG2      ILE  33  -3.224   6.887   6.539
  222   1HD1  ILE  33          1HD1      ILE  33  -5.568   5.386   4.855
  223   2HD1  ILE  33          2HD1      ILE  33  -6.863   5.887   5.944
  224   3HD1  ILE  33          3HD1      ILE  33  -5.323   6.748   5.948
  225    H    ASP  34           H        ASP  34  -5.019   2.263   8.806
  226    HA   ASP  34           HA       ASP  34  -2.750   0.843   7.614
  227   1HB   ASP  34          2HB       ASP  34  -3.847  -1.247   8.378
  228    H    VAL  35           H        VAL  35  -2.888  -0.238   5.780
  229    HA   VAL  35           HA       VAL  35  -5.432  -0.138   4.286
  230    HB   VAL  35           HB       VAL  35  -2.643  -0.546   3.173
  231   1HG1  VAL  35          1HG1      VAL  35  -5.075  -1.181   2.056
  232   2HG1  VAL  35          2HG1      VAL  35  -4.720   0.408   1.374
  233   3HG1  VAL  35          3HG1      VAL  35  -3.568  -0.913   1.177
  234   1HG2  VAL  35          1HG2      VAL  35  -2.360   1.646   3.471
  235   2HG2  VAL  35          2HG2      VAL  35  -3.565   1.860   2.200
  236   3HG2  VAL  35          3HG2      VAL  35  -4.056   1.890   3.892
  237    H    VAL  36           H        VAL  36  -6.454  -2.068   4.445
  238    HA   VAL  36           HA       VAL  36  -4.805  -4.458   4.841
  239    HB   VAL  36           HB       VAL  36  -6.506  -4.012   6.564
  240   1HG1  VAL  36          1HG1      VAL  36  -8.305  -2.957   5.623
  241   2HG1  VAL  36          2HG1      VAL  36  -8.338  -4.025   4.218
  242   3HG1  VAL  36          3HG1      VAL  36  -8.933  -4.598   5.776
  243   1HG2  VAL  36          1HG2      VAL  36  -6.013  -6.432   5.264
  244   2HG2  VAL  36          2HG2      VAL  36  -6.656  -6.202   6.890
  245   3HG2  VAL  36          3HG2      VAL  36  -7.757  -6.388   5.525
  246    H    PHE  37           H        PHE  37  -4.757  -6.107   3.413
  247    HA   PHE  37           HA       PHE  37  -6.748  -6.476   1.402
  248   1HB   PHE  37          2HB       PHE  37  -5.211  -6.061  -0.548
  249    HD1  PHE  37           1HD      PHE  37  -3.668  -4.882   2.629
  250    HD2  PHE  37           2HD      PHE  37  -3.379  -5.028  -1.613
  251    HE1  PHE  37           1HE      PHE  37  -1.335  -4.112   2.761
  252    HE2  PHE  37           2HE      PHE  37  -1.044  -4.278  -1.490
  253    HZ   PHE  37           HZ       PHE  37  -0.021  -3.807   0.703
  254    H    GLU  38           H        GLU  38  -6.757  -8.488   0.682
  255    HA   GLU  38           HA       GLU  38  -4.526 -10.226   1.482
  256   1HB   GLU  38          2HB       GLU  38  -7.387 -10.948   0.820
  257   1HG   GLU  38          2HG       GLU  38  -5.993 -10.790   3.482
  258    H    LEU  39           H        LEU  39  -3.495 -11.483   0.030
  259    HA   LEU  39           HA       LEU  39  -3.037 -10.506  -2.456
  260   1HB   LEU  39          2HB       LEU  39  -2.683 -13.355  -1.532
  261    HG   LEU  39           HG       LEU  39  -0.790 -11.014  -1.521
  262   1HD1  LEU  39          1HD1      LEU  39  -1.987 -12.817   0.515
  263   2HD1  LEU  39          2HD1      LEU  39  -0.353 -12.208   0.784
  264   3HD1  LEU  39          3HD1      LEU  39  -1.693 -11.080   0.573
  265   1HD2  LEU  39          1HD2      LEU  39  -0.089 -13.476  -2.484
  266   2HD2  LEU  39          2HD2      LEU  39   1.013 -12.310  -1.749
  267   3HD2  LEU  39          3HD2      LEU  39   0.321 -13.607  -0.775
  268    H    GLY  40           H        GLY  40  -4.161 -10.362  -4.267
  269   1HA   GLY  40          1HA       GLY  40  -5.507 -10.940  -6.027
  270   2HA   GLY  40          2HA       GLY  40  -5.374 -12.609  -5.492
  271    H    VAL  41           H        VAL  41  -6.680  -9.933  -3.601
  272    HA   VAL  41           HA       VAL  41  -9.370 -11.073  -3.948
  273    HB   VAL  41           HB       VAL  41  -8.208 -10.136  -1.312
  274   1HG1  VAL  41          1HG1      VAL  41 -10.274 -10.799  -0.310
  275   2HG1  VAL  41          2HG1      VAL  41 -10.647  -9.718  -1.654
  276   3HG1  VAL  41          3HG1      VAL  41 -10.862 -11.460  -1.835
  277   1HG2  VAL  41          1HG2      VAL  41  -8.283 -12.431  -0.591
  278   2HG2  VAL  41          2HG2      VAL  41  -8.974 -12.932  -2.134
  279   3HG2  VAL  41          3HG2      VAL  41  -7.321 -12.322  -2.065
  280    H    ASP  42           H        ASP  42 -11.036  -9.562  -3.925
  281    HA   ASP  42           HA       ASP  42 -10.139  -6.798  -4.266
  282   1HB   ASP  42          2HB       ASP  42 -12.304  -6.410  -5.383
  283    H    PHE  43           H        PHE  43 -11.037  -5.137  -3.173
  284    HA   PHE  43           HA       PHE  43 -12.821  -5.717  -0.931
  285   1HB   PHE  43          2HB       PHE  43 -11.086  -4.573   0.558
  286    HD1  PHE  43           1HD      PHE  43  -8.822  -6.607  -1.432
  287    HD2  PHE  43           2HD      PHE  43  -9.947  -2.625  -0.431
  288    HE1  PHE  43           1HE      PHE  43  -6.693  -5.783  -2.353
  289    HE2  PHE  43           2HE      PHE  43  -7.824  -1.793  -1.353
  290    HZ   PHE  43           HZ       PHE  43  -6.200  -3.372  -2.315
  291    H    ALA  44           H        ALA  44 -13.783  -3.870  -0.030
  292    HA   ALA  44           HA       ALA  44 -13.306  -1.338  -1.439
  293   1HB   ALA  44          1HB       ALA  44 -15.356  -2.873  -2.194
  294   2HB   ALA  44          2HB       ALA  44 -16.123  -2.037  -0.844
  295   3HB   ALA  44          3HB       ALA  44 -15.443  -1.111  -2.182
  296    H    TYR  45           H        TYR  45 -13.031   0.264  -0.032
  297    HA   TYR  45           HA       TYR  45 -14.682   0.624   2.243
  298   1HB   TYR  45          2HB       TYR  45 -12.853   0.491   3.957
  299    HD1  TYR  45           1HD      TYR  45 -11.791  -2.568   2.565
  300    HD2  TYR  45           2HD      TYR  45 -10.725   1.535   2.866
  301    HE1  TYR  45           1HE      TYR  45  -9.453  -3.152   2.095
  302    HE2  TYR  45           2HE      TYR  45  -8.385   0.969   2.392
  303    HH   TYR  45           HH       TYR  45  -7.374  -2.409   1.908
  304    H    SER  46           H        SER  46 -14.011   2.532   3.539
  305    HA   SER  46           HA       SER  46 -12.654   4.464   1.786
  306   1HB   SER  46          2HB       SER  46 -13.837   6.186   3.132
  307    HG   SER  46           HG       SER  46 -14.020   4.701   4.993
  308    H    LEU  47           H        LEU  47 -10.763   5.242   2.380
  309    HA   LEU  47           HA       LEU  47  -9.784   4.666   5.085
  310   1HB   LEU  47          2HB       LEU  47  -8.360   5.184   2.487
  311    HG   LEU  47           HG       LEU  47  -8.940   2.829   2.887
  312   1HD1  LEU  47          1HD1      LEU  47  -6.960   3.174   1.648
  313   2HD1  LEU  47          2HD1      LEU  47  -6.045   3.611   3.090
  314   3HD1  LEU  47          3HD1      LEU  47  -6.571   1.945   2.850
  315   1HD2  LEU  47          1HD2      LEU  47  -8.397   3.441   5.552
  316   2HD2  LEU  47          2HD2      LEU  47  -8.786   1.856   4.884
  317   3HD2  LEU  47          3HD2      LEU  47  -7.102   2.349   5.060
  318    H    ALA  48           H        ALA  48  -9.528   6.249   6.476
  319    HA   ALA  48           HA       ALA  48  -9.528   8.312   7.430
  320   1HB   ALA  48          1HB       ALA  48  -8.115  10.045   6.272
  321   2HB   ALA  48          2HB       ALA  48  -7.317   8.505   6.594
  322   3HB   ALA  48          3HB       ALA  48  -7.892   8.878   4.969
  323    H    ASP  49           H        ASP  49 -11.773   7.626   5.765
  324    HA   ASP  49           HA       ASP  49 -13.613   8.489   4.737
  325   1HB   ASP  49          2HB       ASP  49 -13.447   9.630   7.087
  326    H    GLY  50           H        GLY  50 -11.406   8.652   3.097
  327   1HA   GLY  50          1HA       GLY  50 -12.020  11.085   1.568
  328   2HA   GLY  50          2HA       GLY  50 -10.352  10.771   2.025
  329    H    THR  51           H        THR  51  -9.838   8.258   1.524
  330    HA   THR  51           HA       THR  51 -10.335   8.019  -1.350
  331    HB   THR  51           HB       THR  51  -8.512   6.382  -1.356
  332    HG1  THR  51           1HG      THR  51  -8.811   5.501   0.730
  333   1HG2  THR  51          1HG2      THR  51  -8.026   9.039  -0.064
  334   2HG2  THR  51          2HG2      THR  51  -7.639   8.504  -1.699
  335   3HG2  THR  51          3HG2      THR  51  -6.687   7.924  -0.335
  336    H    GLU  52           H        GLU  52 -11.814   6.581  -2.096
  337    HA   GLU  52           HA       GLU  52 -12.438   4.293  -0.348
  338   1HB   GLU  52          2HB       GLU  52 -14.342   5.657  -2.268
  339   1HG   GLU  52          2HG       GLU  52 -14.274   5.707   0.737
  340    H    LEU  53           H        LEU  53 -10.928   2.986  -1.335
  341    HA   LEU  53           HA       LEU  53 -11.115   2.729  -4.246
  342   1HB   LEU  53          2HB       LEU  53  -8.967   2.061  -2.262
  343    HG   LEU  53           HG       LEU  53  -8.975   3.705  -4.798
  344   1HD1  LEU  53          1HD1      LEU  53  -9.720   4.585  -2.452
  345   2HD1  LEU  53          2HD1      LEU  53  -7.985   4.617  -2.138
  346   3HD1  LEU  53          3HD1      LEU  53  -8.657   5.551  -3.475
  347   1HD2  LEU  53          1HD2      LEU  53  -6.572   3.218  -3.071
  348   2HD2  LEU  53          2HD2      LEU  53  -6.948   2.173  -4.440
  349   3HD2  LEU  53          3HD2      LEU  53  -6.653   3.892  -4.698
  350    H    THR  54           H        THR  54 -12.142   1.141  -5.095
  351    HA   THR  54           HA       THR  54 -12.480  -1.390  -3.626
  352    HB   THR  54           HB       THR  54 -13.930  -0.549  -6.137
  353    HG1  THR  54           1HG      THR  54 -14.293   0.295  -3.539
  354   1HG2  THR  54          1HG2      THR  54 -15.135  -2.378  -4.149
  355   2HG2  THR  54          2HG2      THR  54 -13.747  -2.998  -5.044
  356   3HG2  THR  54          3HG2      THR  54 -15.174  -2.432  -5.912
  357    H    GLY  55           H        GLY  55 -10.860  -2.757  -4.192
  358   1HA   GLY  55          1HA       GLY  55 -10.320  -3.210  -6.994
  359   2HA   GLY  55          2HA       GLY  55  -9.059  -2.334  -6.148
  360    H    THR  56           H        THR  56  -8.477  -4.617  -7.373
  361    HA   THR  56           HA       THR  56  -7.784  -6.361  -5.125
  362    HB   THR  56           HB       THR  56  -9.483  -7.687  -6.062
  363    HG1  THR  56           1HG      THR  56  -8.388  -9.438  -6.796
  364   1HG2  THR  56          1HG2      THR  56  -8.467  -6.904  -8.795
  365   2HG2  THR  56          2HG2      THR  56  -9.979  -6.396  -8.046
  366   3HG2  THR  56          3HG2      THR  56  -9.743  -8.085  -8.496
  367    H    TRP  57           H        TRP  57  -5.688  -7.044  -5.196
  368    HA   TRP  57           HA       TRP  57  -4.233  -6.649  -7.720
  369   1HB   TRP  57          2HB       TRP  57  -2.556  -5.380  -6.826
  370    HD1  TRP  57           HD       TRP  57  -0.318  -6.033  -5.645
  371    HE1  TRP  57           1HE      TRP  57   0.268  -7.097  -3.363
  372    HE3  TRP  57           3HE      TRP  57  -4.969  -6.543  -3.922
  373    HZ2  TRP  57           2HZ      TRP  57  -1.148  -8.100  -1.105
  374    HZ3  TRP  57           3HZ      TRP  57  -5.357  -7.581  -1.683
  375    HH2  TRP  57           HH       TRP  57  -3.468  -8.337  -0.313
  376    H    THR  58           H        THR  58  -2.328  -8.045  -7.904
  377    HA   THR  58           HA       THR  58  -2.575 -10.385  -6.151
  378    HB   THR  58           HB       THR  58  -1.866 -11.795  -8.058
  379    HG1  THR  58           1HG      THR  58  -0.827 -10.239  -9.346
  380   1HG2  THR  58          1HG2      THR  58  -4.096 -10.900  -9.458
  381   2HG2  THR  58          2HG2      THR  58  -4.398 -10.406  -7.791
  382   3HG2  THR  58          3HG2      THR  58  -4.077 -12.102  -8.166
  383    H    MET  59           H        MET  59  -0.698 -11.321  -5.423
  384    HA   MET  59           HA       MET  59   1.745  -9.765  -5.958
  385   1HB   MET  59          2HB       MET  59   1.015  -9.583  -3.644
  386   1HG   MET  59          2HG       MET  59   3.379 -11.434  -3.859
  387   1HE   MET  59          1HE       MET  59   5.278  -9.683  -2.152
  388   2HE   MET  59          2HE       MET  59   5.101 -10.255  -0.494
  389   3HE   MET  59          3HE       MET  59   5.240 -11.414  -1.816
  390    H    GLU  60           H        GLU  60   3.178 -10.791  -7.176
  391    HA   GLU  60           HA       GLU  60   3.619 -13.645  -6.684
  392   1HB   GLU  60          2HB       GLU  60   2.135 -13.507  -8.653
  393   1HG   GLU  60          2HG       GLU  60   3.485 -14.740 -10.270
  394    H    GLY  61           H        GLY  61   5.669 -14.016  -6.317
  395   1HA   GLY  61          1HA       GLY  61   7.946 -13.815  -6.262
  396   2HA   GLY  61          2HA       GLY  61   7.812 -13.199  -7.902
  397    H    ASN  62           H        ASN  62   6.640 -11.865  -4.853
  398    HA   ASN  62           HA       ASN  62   7.023  -9.921  -3.762
  399   1HB   ASN  62          2HB       ASN  62   9.677  -9.811  -5.204
  400   1HD2  ASN  62          1HD2      ASN  62   9.450 -10.006  -1.807
  401   2HD2  ASN  62          2HD2      ASN  62  10.025 -11.630  -1.645
  402    H    LYS  63           H        LYS  63   5.462  -9.736  -5.938
  403    HA   LYS  63           HA       LYS  63   6.000  -7.000  -6.791
  404   1HB   LYS  63          2HB       LYS  63   5.291  -9.289  -8.594
  405   1HG   LYS  63          2HG       LYS  63   6.634  -7.799 -10.205
  406   1HD   LYS  63          2HD       LYS  63   7.867  -9.231  -7.867
  407   1HE   LYS  63          2HE       LYS  63   9.524  -7.707  -8.769
  408   1HZ   LYS  63          1HZ       LYS  63  10.107  -8.547 -11.256
  409   2HZ   LYS  63          2HZ       LYS  63   9.261  -7.124 -10.887
  410   3HZ   LYS  63          3HZ       LYS  63   8.410  -8.538 -11.296
  411    H    LEU  64           H        LEU  64   4.350  -5.716  -6.498
  412    HA   LEU  64           HA       LEU  64   1.781  -6.890  -5.667
  413   1HB   LEU  64          2HB       LEU  64   3.056  -4.250  -4.907
  414    HG   LEU  64           HG       LEU  64   4.212  -6.268  -3.892
  415   1HD1  LEU  64          1HD1      LEU  64   3.068  -4.965  -1.553
  416   2HD1  LEU  64          2HD1      LEU  64   4.718  -4.931  -2.174
  417   3HD1  LEU  64          3HD1      LEU  64   3.511  -3.817  -2.815
  418   1HD2  LEU  64          1HD2      LEU  64   2.407  -6.806  -1.810
  419   2HD2  LEU  64          2HD2      LEU  64   1.484  -6.950  -3.306
  420   3HD2  LEU  64          3HD2      LEU  64   2.951  -7.901  -3.080
  421    H    VAL  65           H        VAL  65   0.521  -6.776  -7.484
  422    HA   VAL  65           HA       VAL  65   0.119  -4.127  -8.695
  423    HB   VAL  65           HB       VAL  65   0.625  -6.616 -10.343
  424   1HG1  VAL  65          1HG1      VAL  65   0.689  -4.983 -12.229
  425   2HG1  VAL  65          2HG1      VAL  65  -0.892  -5.159 -11.469
  426   3HG1  VAL  65          3HG1      VAL  65   0.107  -3.751 -11.109
  427   1HG2  VAL  65          1HG2      VAL  65   2.439  -4.258 -10.439
  428   2HG2  VAL  65          2HG2      VAL  65   2.621  -5.414  -9.119
  429   3HG2  VAL  65          3HG2      VAL  65   2.769  -5.954 -10.792
  430    H    GLY  66           H        GLY  66  -2.012  -3.734  -8.691
  431   1HA   GLY  66          1HA       GLY  66  -3.816  -5.867  -9.571
  432   2HA   GLY  66          2HA       GLY  66  -4.160  -5.043  -8.048
  433    H    LYS  67           H        LYS  67  -5.963  -3.943  -8.509
  434    HA   LYS  67           HA       LYS  67  -5.833  -1.670 -10.288
  435   1HB   LYS  67          2HB       LYS  67  -6.518  -3.744 -11.678
  436   1HG   LYS  67          2HG       LYS  67  -8.490  -2.545 -12.750
  437   1HD   LYS  67          2HD       LYS  67  -7.021  -0.633 -13.530
  438   1HE   LYS  67          2HE       LYS  67  -7.059  -2.964 -14.537
  439   1HZ   LYS  67          1HZ       LYS  67  -4.827  -3.258 -12.677
  440   2HZ   LYS  67          2HZ       LYS  67  -4.621  -3.895 -14.230
  441   3HZ   LYS  67          3HZ       LYS  67  -5.910  -4.426 -13.264
  442    H    PHE  68           H        PHE  68  -6.726  -0.102  -9.037
  443    HA   PHE  68           HA       PHE  68  -8.917  -0.870  -7.213
  444   1HB   PHE  68          2HB       PHE  68  -6.683   1.119  -6.723
  445    HD1  PHE  68           1HD      PHE  68  -6.706   0.415  -3.763
  446    HD2  PHE  68           2HD      PHE  68  -6.269  -1.953  -7.266
  447    HE1  PHE  68           1HE      PHE  68  -5.370  -1.210  -2.494
  448    HE2  PHE  68           2HE      PHE  68  -4.943  -3.592  -5.997
  449    HZ   PHE  68           HZ       PHE  68  -4.485  -3.216  -3.612
  450    H    LYS  69           H        LYS  69 -10.614   0.560  -6.999
  451    HA   LYS  69           HA       LYS  69 -10.706   2.726  -8.979
  452   1HB   LYS  69          2HB       LYS  69 -12.373   1.009  -9.329
  453   1HG   LYS  69          2HG       LYS  69 -13.774   3.321  -8.012
  454   1HD   LYS  69          2HD       LYS  69 -15.181   1.342  -8.540
  455   1HE   LYS  69          2HE       LYS  69 -15.685   1.166 -11.076
  456   1HZ   LYS  69          1HZ       LYS  69 -14.033  -0.573 -11.351
  457   2HZ   LYS  69          2HZ       LYS  69 -14.752  -0.668  -9.816
  458   3HZ   LYS  69          3HZ       LYS  69 -13.191  -0.031  -9.985
  459    H    ARG  70           H        ARG  70 -10.758   4.764  -8.302
  460    HA   ARG  70           HA       ARG  70 -11.510   5.312  -5.512
  461   1HB   ARG  70          2HB       ARG  70  -9.061   5.681  -6.313
  462   1HG   ARG  70          2HG       ARG  70 -10.099   6.669  -4.200
  463   1HD   ARG  70          2HD       ARG  70 -10.062   9.154  -5.898
  464    HE   ARG  70           HE       ARG  70 -11.320   9.427  -3.392
  465   1HH1  ARG  70          2HH1      ARG  70  -8.125   9.313  -4.844
  466   2HH1  ARG  70          1HH1      ARG  70  -7.374  10.209  -3.555
  467   1HH2  ARG  70          2HH2      ARG  70 -10.367  10.669  -1.765
  468   2HH2  ARG  70          1HH2      ARG  70  -8.662  10.998  -1.807
  469    H    VAL  71           H        VAL  71 -13.712   5.502  -6.264
  470    HA   VAL  71           HA       VAL  71 -14.511   7.141  -8.389
  471    HB   VAL  71           HB       VAL  71 -15.914   5.357  -7.427
  472   1HG1  VAL  71          1HG1      VAL  71 -17.296   5.913  -5.408
  473   2HG1  VAL  71          2HG1      VAL  71 -15.587   5.617  -5.087
  474   3HG1  VAL  71          3HG1      VAL  71 -16.205   7.269  -5.121
  475   1HG2  VAL  71          1HG2      VAL  71 -16.899   8.088  -7.950
  476   2HG2  VAL  71          2HG2      VAL  71 -17.299   6.562  -8.741
  477   3HG2  VAL  71          3HG2      VAL  71 -18.045   6.979  -7.197
  478    H    ASP  72           H        ASP  72 -14.012   7.932  -5.010
  479    HA   ASP  72           HA       ASP  72 -15.479  10.269  -4.827
  480   1HB   ASP  72          2HB       ASP  72 -14.706   9.452  -2.800
  481    H    ASN  73           H        ASN  73 -12.224   9.846  -6.085
  482    HA   ASN  73           HA       ASN  73 -12.122  12.721  -6.669
  483   1HB   ASN  73          2HB       ASN  73 -10.244  11.873  -5.341
  484   1HD2  ASN  73          1HD2      ASN  73  -8.066  11.288  -7.546
  485   2HD2  ASN  73          2HD2      ASN  73  -7.667  12.888  -8.077
  486    H    GLY  74           H        GLY  74 -11.839   9.514  -8.126
  487   1HA   GLY  74          1HA       GLY  74 -12.488  10.689 -10.697
  488   2HA   GLY  74          2HA       GLY  74 -10.916   9.909 -10.603
  489    H    LYS  75           H        LYS  75 -10.800   7.777 -10.893
  490    HA   LYS  75           HA       LYS  75 -13.151   6.110 -10.513
  491   1HB   LYS  75          2HB       LYS  75 -13.324   7.097 -12.805
  492   1HG   LYS  75          2HG       LYS  75 -12.812   4.129 -12.812
  493   1HD   LYS  75          2HD       LYS  75 -14.482   4.162 -14.663
  494   1HE   LYS  75          2HE       LYS  75 -12.933   5.062 -16.394
  495   1HZ   LYS  75          1HZ       LYS  75 -12.142   3.016 -16.128
  496   2HZ   LYS  75          2HZ       LYS  75 -12.305   3.062 -14.442
  497   3HZ   LYS  75          3HZ       LYS  75 -10.917   3.704 -15.177
  498    H    GLU  76           H        GLU  76  -9.722   6.428 -11.219
  499    HA   GLU  76           HA       GLU  76  -9.315   3.704 -10.237
  500   1HB   GLU  76          2HB       GLU  76  -8.419   4.766 -12.904
  501   1HG   GLU  76          2HG       GLU  76  -9.651   2.123 -12.164
  502    H    LEU  77           H        LEU  77  -7.861   3.710  -8.761
  503    HA   LEU  77           HA       LEU  77  -5.454   5.316  -9.057
  504   1HB   LEU  77          2HB       LEU  77  -6.828   6.601  -7.521
  505    HG   LEU  77           HG       LEU  77  -4.744   5.079  -5.946
  506   1HD1  LEU  77          1HD1      LEU  77  -3.462   7.233  -6.332
  507   2HD1  LEU  77          2HD1      LEU  77  -3.648   6.159  -7.719
  508   3HD1  LEU  77          3HD1      LEU  77  -4.659   7.597  -7.577
  509   1HD2  LEU  77          1HD2      LEU  77  -6.708   6.563  -4.854
  510   2HD2  LEU  77          2HD2      LEU  77  -5.089   6.421  -4.173
  511   3HD2  LEU  77          3HD2      LEU  77  -5.506   7.813  -5.173
  512    H    ILE  78           H        ILE  78  -4.126   3.675  -9.427
  513    HA   ILE  78           HA       ILE  78  -4.619   1.127  -8.108
  514    HB   ILE  78           HB       ILE  78  -2.721   1.682 -10.389
  515   1HG1  ILE  78          2HG1      ILE  78  -5.601   0.804 -10.642
  516   1HG2  ILE  78          1HG2      ILE  78  -3.357  -0.732 -10.909
  517   2HG2  ILE  78          2HG2      ILE  78  -2.308  -0.454  -9.519
  518   3HG2  ILE  78          3HG2      ILE  78  -4.025  -0.782  -9.277
  519   1HD1  ILE  78          1HD1      ILE  78  -5.397   1.006 -12.921
  520   2HD1  ILE  78          2HD1      ILE  78  -3.981   2.051 -12.809
  521   3HD1  ILE  78          3HD1      ILE  78  -3.833   0.325 -12.475
  522    H    ALA  79           H        ALA  79  -3.101  -0.025  -6.970
  523    HA   ALA  79           HA       ALA  79  -0.665   1.443  -6.191
  524   1HB   ALA  79          1HB       ALA  79  -2.025  -0.917  -4.854
  525   2HB   ALA  79          2HB       ALA  79  -0.593  -0.073  -4.262
  526   3HB   ALA  79          3HB       ALA  79  -2.142   0.766  -4.338
  527    H    VAL  80           H        VAL  80   1.103   0.822  -7.244
  528    HA   VAL  80           HA       VAL  80   1.452  -2.010  -7.964
  529    HB   VAL  80           HB       VAL  80   1.943   0.339  -9.813
  530   1HG1  VAL  80          1HG1      VAL  80   3.664  -1.504  -9.890
  531   2HG1  VAL  80          2HG1      VAL  80   2.372  -2.569 -10.447
  532   3HG1  VAL  80          3HG1      VAL  80   2.832  -1.164 -11.408
  533   1HG2  VAL  80          1HG2      VAL  80   0.319  -0.877 -11.282
  534   2HG2  VAL  80          2HG2      VAL  80  -0.036  -1.929  -9.912
  535   3HG2  VAL  80          3HG2      VAL  80  -0.379  -0.202  -9.809
  536    H    ARG  81           H        ARG  81   3.361  -2.765  -7.311
  537    HA   ARG  81           HA       ARG  81   5.766  -1.247  -7.504
  538   1HB   ARG  81          2HB       ARG  81   4.750  -0.279  -5.426
  539   1HG   ARG  81          2HG       ARG  81   6.721  -0.496  -4.009
  540   1HD   ARG  81          2HD       ARG  81   7.031  -0.185  -6.958
  541    HE   ARG  81           HE       ARG  81   9.257  -0.602  -5.178
  542   1HH1  ARG  81          2HH1      ARG  81   8.145   1.017  -8.084
  543   2HH1  ARG  81          1HH1      ARG  81   9.751   1.298  -8.695
  544   1HH2  ARG  81          2HH2      ARG  81  11.365  -0.251  -5.980
  545   2HH2  ARG  81          1HH2      ARG  81  11.587   0.585  -7.488
  546    H    GLU  82           H        GLU  82   7.623  -2.482  -7.085
  547    HA   GLU  82           HA       GLU  82   7.146  -5.297  -6.428
  548   1HB   GLU  82          2HB       GLU  82   9.184  -5.812  -7.839
  549   1HG   GLU  82          2HG       GLU  82   8.659  -3.057  -8.926
  550    H    ILE  83           H        ILE  83   8.774  -6.266  -5.128
  551    HA   ILE  83           HA       ILE  83  10.210  -4.258  -3.529
  552    HB   ILE  83           HB       ILE  83   9.527  -7.140  -2.876
  553   1HG1  ILE  83          2HG1      ILE  83   8.164  -5.850  -1.040
  554   1HG2  ILE  83          1HG2      ILE  83  11.653  -6.006  -1.873
  555   2HG2  ILE  83          2HG2      ILE  83  10.483  -5.169  -0.850
  556   3HG2  ILE  83          3HG2      ILE  83  10.564  -6.931  -0.836
  557   1HD1  ILE  83          1HD1      ILE  83   6.456  -6.701  -2.141
  558   2HD1  ILE  83          2HD1      ILE  83   6.525  -5.351  -3.273
  559   3HD1  ILE  83          3HD1      ILE  83   7.433  -6.825  -3.605
  560    H    SER  84           H        SER  84  12.366  -4.121  -3.680
  561    HA   SER  84           HA       SER  84  13.835  -6.446  -4.750
  562   1HB   SER  84          2HB       SER  84  13.773  -4.480  -6.299
  563    HG   SER  84           HG       SER  84  16.376  -4.864  -5.224
  564    H    GLY  85           H        GLY  85  15.422  -7.252  -3.512
  565   1HA   GLY  85          1HA       GLY  85  16.785  -7.556  -1.679
  566   2HA   GLY  85          2HA       GLY  85  16.994  -5.807  -1.648
  567    H    ASN  86           H        ASN  86  16.514  -5.050   0.307
  568    HA   ASN  86           HA       ASN  86  13.881  -5.810   1.350
  569   1HB   ASN  86          2HB       ASN  86  16.322  -5.276   3.062
  570   1HD2  ASN  86          1HD2      ASN  86  17.549  -6.994   3.003
  571   2HD2  ASN  86          2HD2      ASN  86  17.010  -8.639   3.053
  572    H    GLU  87           H        GLU  87  12.951  -4.102   0.454
  573    HA   GLU  87           HA       GLU  87  12.900  -1.706   1.891
  574   1HB   GLU  87          2HB       GLU  87  13.652  -0.106   0.248
  575   1HG   GLU  87          2HG       GLU  87  14.419  -2.443  -1.484
  576    H    LEU  88           H        LEU  88  11.238  -0.184   0.768
  577    HA   LEU  88           HA       LEU  88   9.681  -1.512  -1.261
  578   1HB   LEU  88          2HB       LEU  88   8.807  -2.562   0.759
  579    HG   LEU  88           HG       LEU  88   6.886  -0.550  -0.412
  580   1HD1  LEU  88          1HD1      LEU  88   6.530  -3.364  -1.039
  581   2HD1  LEU  88          2HD1      LEU  88   6.586  -1.960  -2.104
  582   3HD1  LEU  88          3HD1      LEU  88   8.084  -2.728  -1.582
  583   1HD2  LEU  88          1HD2      LEU  88   5.512  -2.801   0.557
  584   2HD2  LEU  88          2HD2      LEU  88   6.575  -2.268   1.859
  585   3HD2  LEU  88          3HD2      LEU  88   5.422  -1.140   1.146
  586    H    ILE  89           H        ILE  89   8.852  -0.125  -2.576
  587    HA   ILE  89           HA       ILE  89   8.428   2.657  -1.707
  588    HB   ILE  89           HB       ILE  89   8.412   1.674  -4.563
  589   1HG1  ILE  89          2HG1      ILE  89  10.612   1.133  -3.663
  590   1HG2  ILE  89          1HG2      ILE  89   7.428   3.768  -4.519
  591   2HG2  ILE  89          2HG2      ILE  89   8.504   4.360  -3.252
  592   3HG2  ILE  89          3HG2      ILE  89   9.112   4.141  -4.895
  593   1HD1  ILE  89          1HD1      ILE  89  10.513   2.964  -1.851
  594   2HD1  ILE  89          2HD1      ILE  89  12.059   2.570  -2.604
  595   3HD1  ILE  89          3HD1      ILE  89  11.173   4.008  -3.111
  596    H    GLN  90           H        GLN  90   6.342   3.572  -2.646
  597    HA   GLN  90           HA       GLN  90   4.335   1.501  -3.160
  598   1HB   GLN  90          2HB       GLN  90   4.339   1.961  -0.732
  599   1HG   GLN  90          2HG       GLN  90   1.894   3.108  -2.060
  600   1HE2  GLN  90          1HE2      GLN  90   3.518   2.878   0.780
  601   2HE2  GLN  90          2HE2      GLN  90   2.185   2.810   1.875
  602    H    THR  91           H        THR  91   3.657   2.067  -5.119
  603    HA   THR  91           HA       THR  91   3.388   4.905  -5.751
  604    HB   THR  91           HB       THR  91   3.020   2.885  -7.882
  605    HG1  THR  91           1HG      THR  91   4.869   1.923  -7.490
  606   1HG2  THR  91          1HG2      THR  91   5.003   5.070  -8.047
  607   2HG2  THR  91          2HG2      THR  91   3.315   5.549  -7.870
  608   3HG2  THR  91          3HG2      THR  91   3.806   4.529  -9.224
  609    H    TYR  92           H        TYR  92   1.520   5.815  -6.022
  610    HA   TYR  92           HA       TYR  92  -0.895   4.189  -6.397
  611   1HB   TYR  92          2HB       TYR  92  -0.677   7.088  -5.529
  612    HD1  TYR  92           1HD      TYR  92   1.038   6.187  -3.782
  613    HD2  TYR  92           2HD      TYR  92  -3.079   5.116  -3.852
  614    HE1  TYR  92           1HE      TYR  92   1.171   5.553  -1.412
  615    HE2  TYR  92           2HE      TYR  92  -2.958   4.477  -1.482
  616    HH   TYR  92           HH       TYR  92  -0.488   3.717   0.102
  617    H    THR  93           H        THR  93  -1.297   4.017  -8.500
  618    HA   THR  93           HA       THR  93  -0.584   6.229 -10.290
  619    HB   THR  93           HB       THR  93  -1.450   3.444 -11.081
  620    HG1  THR  93           1HG      THR  93   0.595   3.810  -9.689
  621   1HG2  THR  93          1HG2      THR  93  -1.568   4.836 -12.966
  622   2HG2  THR  93          2HG2      THR  93   0.023   4.089 -13.094
  623   3HG2  THR  93          3HG2      THR  93  -0.128   5.744 -12.499
  624    H    TYR  94           H        TYR  94  -2.201   7.639 -10.461
  625    HA   TYR  94           HA       TYR  94  -4.964   6.649 -10.597
  626   1HB   TYR  94          2HB       TYR  94  -4.676   8.286  -8.871
  627    HD1  TYR  94           1HD      TYR  94  -7.148   7.636  -9.960
  628    HD2  TYR  94           2HD      TYR  94  -4.935  11.232 -10.557
  629    HE1  TYR  94           1HE      TYR  94  -9.224   8.831 -10.531
  630    HE2  TYR  94           2HE      TYR  94  -7.003  12.421 -11.129
  631    HH   TYR  94           HH       TYR  94  -9.352  11.629 -12.131
  632    H    GLU  95           H        GLU  95  -5.955   6.615 -12.456
  633    HA   GLU  95           HA       GLU  95  -6.569   6.959 -14.603
  634   1HB   GLU  95          2HB       GLU  95  -6.808   9.305 -13.809
  635   1HG   GLU  95          2HG       GLU  95  -5.796   9.152 -16.637
  636    H    GLY  96           H        GLY  96  -3.435   8.662 -14.608
  637   1HA   GLY  96          1HA       GLY  96  -2.127   6.479 -15.944
  638   2HA   GLY  96          2HA       GLY  96  -2.425   7.847 -17.008
  639    H    VAL  97           H        VAL  97  -1.877   8.384 -13.638
  640    HA   VAL  97           HA       VAL  97   0.939   9.055 -14.115
  641    HB   VAL  97           HB       VAL  97   0.689  11.061 -12.644
  642   1HG1  VAL  97          1HG1      VAL  97   0.732  12.157 -14.572
  643   2HG1  VAL  97          2HG1      VAL  97   0.011  10.770 -15.388
  644   3HG1  VAL  97          3HG1      VAL  97  -1.023  12.018 -14.691
  645   1HG2  VAL  97          1HG2      VAL  97  -1.792  11.960 -12.760
  646   2HG2  VAL  97          2HG2      VAL  97  -2.163  10.238 -12.788
  647   3HG2  VAL  97          3HG2      VAL  97  -1.249  10.920 -11.443
  648    H    GLU  98           H        GLU  98   2.287   8.637 -12.376
  649    HA   GLU  98           HA       GLU  98   0.940   7.302 -10.128
  650   1HB   GLU  98          2HB       GLU  98   2.923   5.821  -9.992
  651   1HG   GLU  98          2HG       GLU  98   3.691   7.051 -12.629
  652    H    ALA  99           H        ALA  99   1.281   8.018  -8.191
  653    HA   ALA  99           HA       ALA  99   3.616   9.744  -7.655
  654   1HB   ALA  99          1HB       ALA  99   2.224  11.154  -6.631
  655   2HB   ALA  99          2HB       ALA  99   0.862  10.124  -7.072
  656   3HB   ALA  99          3HB       ALA  99   1.703   9.867  -5.543
  657    H    LYS 100           H        LYS 100   5.062   9.017  -6.129
  658    HA   LYS 100           HA       LYS 100   4.306   6.500  -4.799
  659   1HB   LYS 100          2HB       LYS 100   6.625   5.705  -5.214
  660   1HG   LYS 100          2HG       LYS 100   6.793   8.215  -6.844
  661   1HD   LYS 100          2HD       LYS 100   8.885   7.167  -7.800
  662   1HE   LYS 100          2HE       LYS 100   6.246   5.915  -8.552
  663   1HZ   LYS 100          1HZ       LYS 100   8.547   5.091  -9.503
  664   2HZ   LYS 100          2HZ       LYS 100   8.349   6.446 -10.508
  665   3HZ   LYS 100          3HZ       LYS 100   7.166   5.230 -10.483
  666    H    ARG 101           H        ARG 101   4.971   6.085  -2.850
  667    HA   ARG 101           HA       ARG 101   6.439   8.178  -1.382
  668   1HB   ARG 101          2HB       ARG 101   4.069   7.522  -0.658
  669   1HG   ARG 101          2HG       ARG 101   4.711   7.176   1.785
  670   1HD   ARG 101          2HD       ARG 101   5.901   9.541   0.347
  671    HE   ARG 101           HE       ARG 101   6.282  10.233   2.472
  672   1HH1  ARG 101          2HH1      ARG 101   3.292   8.400   2.486
  673   2HH1  ARG 101          1HH1      ARG 101   3.075   8.509   4.211
  674   1HH2  ARG 101          2HH2      ARG 101   5.987  10.421   4.722
  675   2HH2  ARG 101          1HH2      ARG 101   4.603   9.683   5.482
  676    H    ILE 102           H        ILE 102   8.325   7.571  -0.302
  677    HA   ILE 102           HA       ILE 102   9.344   4.944  -1.103
  678    HB   ILE 102           HB       ILE 102  10.844   7.394  -0.168
  679   1HG1  ILE 102          2HG1      ILE 102  10.536   6.226  -2.944
  680   1HG2  ILE 102          1HG2      ILE 102  12.799   6.265  -0.355
  681   2HG2  ILE 102          2HG2      ILE 102  11.765   4.891   0.036
  682   3HG2  ILE 102          3HG2      ILE 102  12.199   5.219  -1.641
  683   1HD1  ILE 102          1HD1      ILE 102  11.493   8.951  -2.754
  684   2HD1  ILE 102          2HD1      ILE 102  12.604   7.789  -2.032
  685   3HD1  ILE 102          3HD1      ILE 102  12.097   7.598  -3.709
  686    H    PHE 103           H        PHE 103   9.954   3.415   0.307
  687    HA   PHE 103           HA       PHE 103  10.304   4.104   3.127
  688   1HB   PHE 103          2HB       PHE 103   8.566   1.817   2.168
  689    HD1  PHE 103           1HD      PHE 103   6.582   2.587   1.300
  690    HD2  PHE 103           2HD      PHE 103   8.310   4.595   4.626
  691    HE1  PHE 103           1HE      PHE 103   4.600   4.039   1.451
  692    HE2  PHE 103           2HE      PHE 103   6.335   6.048   4.793
  693    HZ   PHE 103           HZ       PHE 103   4.472   5.768   3.200
  694    H    LYS 104           H        LYS 104  11.354   2.335   4.343
  695    HA   LYS 104           HA       LYS 104  12.678   0.272   2.842
  696   1HB   LYS 104          2HB       LYS 104  14.969   0.958   3.553
  697   1HG   LYS 104          2HG       LYS 104  15.316   3.439   3.913
  698   1HD   LYS 104          2HD       LYS 104  13.934   2.055   6.199
  699   1HE   LYS 104          2HE       LYS 104  16.211   4.025   6.117
  700   1HZ   LYS 104          1HZ       LYS 104  16.347   3.856   8.369
  701   2HZ   LYS 104          2HZ       LYS 104  15.945   2.249   8.006
  702   3HZ   LYS 104          3HZ       LYS 104  14.751   3.319   8.557
  703    H    LYS 105           H        LYS 105  13.683  -1.300   4.233
  704    HA   LYS 105           HA       LYS 105  12.181  -1.818   6.535
  705   1HB   LYS 105          2HB       LYS 105  13.640  -3.370   4.973
  706   1HG   LYS 105          2HG       LYS 105  12.187  -4.191   6.820
  707   1HD   LYS 105          2HD       LYS 105  14.718  -4.163   8.447
  708   1HE   LYS 105          2HE       LYS 105  11.871  -4.898   9.097
  709   1HZ   LYS 105          1HZ       LYS 105  13.798  -5.525  11.081
  710   2HZ   LYS 105          2HZ       LYS 105  12.353  -4.649  11.230
  711   3HZ   LYS 105          3HZ       LYS 105  13.784  -3.851  10.786
  712    H    GLU 106           H        GLU 106  12.366  -1.163   8.587
  713    HA   GLU 106           HA       GLU 106  14.510   0.598   9.381
  714   1HB   GLU 106          2HB       GLU 106  12.285   1.091  10.186
  715   1HG   GLU 106          2HG       GLU 106  13.956   0.027  12.449
  Start of MODEL    6
    1   1H    ALA   1          1H        ALA   1  10.528 -13.822   5.992
    2   2H    ALA   1          2H        ALA   1  10.436 -13.024   4.501
    3   3H    ALA   1          3H        ALA   1   9.850 -14.610   4.651
    4    HA   ALA   1           HA       ALA   1   8.042 -13.023   4.605
    5   1HB   ALA   1          1HB       ALA   1   7.264 -14.799   5.777
    6   2HB   ALA   1          2HB       ALA   1   8.595 -14.757   6.935
    7   3HB   ALA   1          3HB       ALA   1   7.253 -13.623   7.093
    8    H    PHE   2           H        PHE   2   7.019 -11.202   5.449
    9    HA   PHE   2           HA       PHE   2   8.806  -9.220   6.443
   10   1HB   PHE   2          2HB       PHE   2   5.858  -9.208   5.823
   11    HD1  PHE   2           1HD      PHE   2   7.234 -10.159   3.684
   12    HD2  PHE   2           2HD      PHE   2   7.280  -6.158   5.133
   13    HE1  PHE   2           1HE      PHE   2   7.908  -9.363   1.455
   14    HE2  PHE   2           2HE      PHE   2   7.943  -5.352   2.907
   15    HZ   PHE   2           HZ       PHE   2   8.264  -6.956   1.064
   16    H    ASP   3           H        ASP   3   5.799  -8.752   7.879
   17    HA   ASP   3           HA       ASP   3   5.125  -8.496  10.021
   18   1HB   ASP   3          2HB       ASP   3   5.427 -11.002  10.116
   19    H    GLY   4           H        GLY   4   6.689  -6.630   9.278
   20   1HA   GLY   4          1HA       GLY   4   8.365  -5.985  11.544
   21   2HA   GLY   4          2HA       GLY   4   9.225  -6.263  10.033
   22    H    THR   5           H        THR   5   9.427  -3.851  11.236
   23    HA   THR   5           HA       THR   5   7.538  -2.082   9.865
   24    HB   THR   5           HB       THR   5   8.728  -0.303  11.287
   25    HG1  THR   5           1HG      THR   5  10.321  -0.966  12.519
   26   1HG2  THR   5          1HG2      THR   5   7.081  -2.526  12.467
   27   2HG2  THR   5          2HG2      THR   5   6.547  -0.929  11.941
   28   3HG2  THR   5          3HG2      THR   5   7.531  -1.096  13.395
   29    H    TRP   6           H        TRP   6   8.110  -0.940   8.154
   30    HA   TRP   6           HA       TRP   6  10.976  -0.692   7.452
   31   1HB   TRP   6          2HB       TRP   6   8.647  -1.283   5.592
   32    HD1  TRP   6           HD       TRP   6   9.674  -3.397   7.936
   33    HE1  TRP   6           1HE      TRP   6  10.413  -5.734   7.156
   34    HE3  TRP   6           3HE      TRP   6  10.564  -2.363   3.012
   35    HZ2  TRP   6           2HZ      TRP   6  11.244  -6.978   4.768
   36    HZ3  TRP   6           3HZ      TRP   6  11.314  -4.188   1.545
   37    HH2  TRP   6           HH       TRP   6  11.648  -6.447   2.404
   38    H    LYS   7           H        LYS   7  11.292   1.517   7.848
   39    HA   LYS   7           HA       LYS   7   9.843   3.367   6.215
   40   1HB   LYS   7          2HB       LYS   7   8.404   2.737   8.322
   41   1HG   LYS   7          2HG       LYS   7   7.560   5.095   8.459
   42   1HD   LYS   7          2HD       LYS   7   7.900   4.242   5.613
   43   1HE   LYS   7          2HE       LYS   7   5.700   5.441   7.269
   44   1HZ   LYS   7          1HZ       LYS   7   4.228   5.194   5.498
   45   2HZ   LYS   7          2HZ       LYS   7   4.943   3.669   5.659
   46   3HZ   LYS   7          3HZ       LYS   7   5.442   4.704   4.424
   47    H    VAL   8           H        VAL   8  10.304   5.609   6.701
   48    HA   VAL   8           HA       VAL   8  13.004   6.056   7.778
   49    HB   VAL   8           HB       VAL   8  11.399   7.876   5.960
   50   1HG1  VAL   8          1HG1      VAL   8  13.140   9.334   5.962
   51   2HG1  VAL   8          2HG1      VAL   8  13.382   8.640   7.565
   52   3HG1  VAL   8          3HG1      VAL   8  14.346   8.069   6.203
   53   1HG2  VAL   8          1HG2      VAL   8  13.766   6.231   5.111
   54   2HG2  VAL   8          2HG2      VAL   8  12.105   5.662   4.938
   55   3HG2  VAL   8          3HG2      VAL   8  12.628   7.124   4.100
   56    H    GLY   9           H        GLY   9  13.201   7.581   9.431
   57   1HA   GLY   9          1HA       GLY   9  11.215   7.805  11.288
   58   2HA   GLY   9          2HA       GLY   9  12.565   8.919  11.194
   59    H    GLY  10           H        GLY  10   9.624   9.198  11.882
   60   1HA   GLY  10          1HA       GLY  10   8.613  11.440  11.713
   61   2HA   GLY  10          2HA       GLY  10   9.029  11.410  10.004
   62    H    LEU  11           H        LEU  11   8.340   8.670   9.667
   63    HA   LEU  11           HA       LEU  11   5.476   8.504  10.205
   64   1HB   LEU  11          2HB       LEU  11   5.257   7.585   7.785
   65    HG   LEU  11           HG       LEU  11   7.734   7.865   7.185
   66   1HD1  LEU  11          1HD1      LEU  11   5.535   9.063   5.507
   67   2HD1  LEU  11          2HD1      LEU  11   7.149   8.698   4.897
   68   3HD1  LEU  11          3HD1      LEU  11   6.115   7.398   5.490
   69   1HD2  LEU  11          1HD2      LEU  11   8.482  10.027   6.465
   70   2HD2  LEU  11          2HD2      LEU  11   6.910  10.745   6.820
   71   3HD2  LEU  11          3HD2      LEU  11   7.936  10.173   8.136
   72    H    LYS  12           H        LYS  12   4.772   6.135   9.750
   73    HA   LYS  12           HA       LYS  12   7.058   4.313   9.926
   74   1HB   LYS  12          2HB       LYS  12   6.153   3.163  11.874
   75   1HG   LYS  12          2HG       LYS  12   4.058   5.319  11.913
   76   1HD   LYS  12          2HD       LYS  12   4.944   5.031  14.151
   77   1HE   LYS  12          2HE       LYS  12   4.413   2.089  13.753
   78   1HZ   LYS  12          1HZ       LYS  12   4.042   3.176  16.042
   79   2HZ   LYS  12          2HZ       LYS  12   5.733   3.284  16.101
   80   3HZ   LYS  12          3HZ       LYS  12   4.983   1.768  15.949
   81    H    LEU  13           H        LEU  13   6.633   2.138   9.453
   82    HA   LEU  13           HA       LEU  13   4.040   1.545   8.229
   83   1HB   LEU  13          2HB       LEU  13   6.003   2.479   6.649
   84    HG   LEU  13           HG       LEU  13   3.752   1.824   5.805
   85   1HD1  LEU  13          1HD1      LEU  13   5.202   2.582   4.152
   86   2HD1  LEU  13          2HD1      LEU  13   6.251   1.170   4.286
   87   3HD1  LEU  13          3HD1      LEU  13   4.662   1.021   3.538
   88   1HD2  LEU  13          1HD2      LEU  13   3.186  -0.317   6.163
   89   2HD2  LEU  13          2HD2      LEU  13   4.094  -0.634   4.684
   90   3HD2  LEU  13          3HD2      LEU  13   4.865  -0.849   6.257
   91    H    THR  14           H        THR  14   3.449  -0.503   8.528
   92    HA   THR  14           HA       THR  14   5.453  -2.482   9.339
   93    HB   THR  14           HB       THR  14   2.789  -2.187  10.729
   94    HG1  THR  14           1HG      THR  14   5.000  -0.680  11.007
   95   1HG2  THR  14          1HG2      THR  14   5.284  -3.644  11.603
   96   2HG2  THR  14          2HG2      THR  14   3.939  -4.415  10.764
   97   3HG2  THR  14          3HG2      THR  14   3.693  -3.702  12.358
   98    H    ILE  15           H        ILE  15   5.176  -4.376   8.308
   99    HA   ILE  15           HA       ILE  15   2.557  -4.895   7.046
  100    HB   ILE  15           HB       ILE  15   5.261  -5.620   5.906
  101   1HG1  ILE  15          2HG1      ILE  15   3.276  -3.525   4.988
  102   1HG2  ILE  15          1HG2      ILE  15   2.688  -6.687   5.433
  103   2HG2  ILE  15          2HG2      ILE  15   3.124  -5.729   4.016
  104   3HG2  ILE  15          3HG2      ILE  15   4.187  -7.026   4.564
  105   1HD1  ILE  15          1HD1      ILE  15   4.256  -3.573   3.014
  106   2HD1  ILE  15          2HD1      ILE  15   5.776  -3.131   3.791
  107   3HD1  ILE  15          3HD1      ILE  15   5.370  -4.830   3.555
  108    H    THR  16           H        THR  16   1.671  -6.762   7.680
  109    HA   THR  16           HA       THR  16   3.432  -8.902   8.652
  110    HB   THR  16           HB       THR  16   0.905  -8.005  10.061
  111    HG1  THR  16           1HG      THR  16   3.322  -7.830  11.394
  112   1HG2  THR  16          1HG2      THR  16   2.041 -10.484  10.115
  113   2HG2  THR  16          2HG2      THR  16   1.091  -9.787  11.427
  114   3HG2  THR  16          3HG2      THR  16   2.851  -9.695  11.470
  115    H    GLN  17           H        GLN  17   2.619 -11.002   8.388
  116    HA   GLN  17           HA       GLN  17   0.135 -11.229   6.857
  117   1HB   GLN  17          2HB       GLN  17   1.318 -13.103   5.563
  118   1HG   GLN  17          2HG       GLN  17   3.728 -12.649   5.142
  119   1HE2  GLN  17          1HE2      GLN  17   4.787 -12.606   8.122
  120   2HE2  GLN  17          2HE2      GLN  17   4.584 -14.257   8.583
  121    H    GLU  18           H        GLU  18  -0.666 -13.443   6.743
  122    HA   GLU  18           HA       GLU  18   0.129 -15.237   8.880
  123   1HB   GLU  18          2HB       GLU  18  -2.347 -15.402   9.549
  124   1HG   GLU  18          2HG       GLU  18  -2.393 -12.700   8.222
  125    H    GLY  19           H        GLY  19   0.806 -16.347   6.972
  126   1HA   GLY  19          1HA       GLY  19   0.389 -18.178   5.508
  127   2HA   GLY  19          2HA       GLY  19  -1.337 -17.818   5.597
  128    H    ASN  20           H        ASN  20  -2.221 -16.483   4.155
  129    HA   ASN  20           HA       ASN  20  -0.494 -14.575   2.829
  130   1HB   ASN  20          2HB       ASN  20  -2.443 -16.330   1.320
  131   1HD2  ASN  20          1HD2      ASN  20  -1.522 -17.873   0.185
  132   2HD2  ASN  20          2HD2      ASN  20   0.178 -18.017  -0.138
  133    H    LYS  21           H        LYS  21  -1.255 -13.042   4.068
  134    HA   LYS  21           HA       LYS  21  -3.609 -11.711   3.298
  135   1HB   LYS  21          2HB       LYS  21  -4.637 -13.387   4.875
  136   1HG   LYS  21          2HG       LYS  21  -4.666 -10.518   5.780
  137   1HD   LYS  21          2HD       LYS  21  -5.438 -11.983   7.598
  138   1HE   LYS  21          2HE       LYS  21  -7.857 -12.951   6.919
  139   1HZ   LYS  21          1HZ       LYS  21  -6.974 -15.003   7.286
  140   2HZ   LYS  21          2HZ       LYS  21  -5.722 -14.051   7.926
  141   3HZ   LYS  21          3HZ       LYS  21  -5.578 -14.713   6.370
  142    H    PHE  22           H        PHE  22  -2.523  -9.815   3.125
  143    HA   PHE  22           HA       PHE  22  -0.574  -9.230   5.231
  144   1HB   PHE  22          2HB       PHE  22  -0.741  -8.352   2.352
  145    HD1  PHE  22           1HD      PHE  22  -0.571 -11.088   2.509
  146    HD2  PHE  22           2HD      PHE  22   2.511  -8.289   3.389
  147    HE1  PHE  22           1HE      PHE  22   1.122 -12.813   2.053
  148    HE2  PHE  22           2HE      PHE  22   4.208 -10.010   2.941
  149    HZ   PHE  22           HZ       PHE  22   3.515 -12.276   2.268
  150    H    THR  23           H        THR  23  -0.757  -7.543   6.502
  151    HA   THR  23           HA       THR  23  -2.737  -5.497   5.776
  152    HB   THR  23           HB       THR  23  -3.270  -6.850   7.888
  153    HG1  THR  23           1HG      THR  23  -3.650  -4.355   7.283
  154   1HG2  THR  23          1HG2      THR  23  -1.957  -5.498   9.843
  155   2HG2  THR  23          2HG2      THR  23  -0.682  -5.675   8.638
  156   3HG2  THR  23          3HG2      THR  23  -1.503  -7.103   9.268
  157    H    VAL  24           H        VAL  24  -2.068  -3.402   5.857
  158    HA   VAL  24           HA       VAL  24   0.823  -3.027   6.265
  159    HB   VAL  24           HB       VAL  24  -0.997  -1.864   4.148
  160   1HG1  VAL  24          1HG1      VAL  24   1.097  -0.522   5.352
  161   2HG1  VAL  24          2HG1      VAL  24   1.822  -1.210   3.896
  162   3HG1  VAL  24          3HG1      VAL  24   0.402  -0.170   3.769
  163   1HG2  VAL  24          1HG2      VAL  24   0.199  -3.099   2.593
  164   2HG2  VAL  24          2HG2      VAL  24   1.582  -3.307   3.667
  165   3HG2  VAL  24          3HG2      VAL  24   0.094  -4.208   3.958
  166    H    LYS  25           H        LYS  25   1.377  -1.523   7.647
  167    HA   LYS  25           HA       LYS  25  -0.669   0.356   8.598
  168   1HB   LYS  25          2HB       LYS  25   0.537  -1.132  10.247
  169   1HG   LYS  25          2HG       LYS  25   0.431   1.805  10.435
  170   1HD   LYS  25          2HD       LYS  25   2.098   0.108  12.287
  171   1HE   LYS  25          2HE       LYS  25   0.575   1.437  13.632
  172   1HZ   LYS  25          1HZ       LYS  25  -0.139   3.194  12.330
  173   2HZ   LYS  25          2HZ       LYS  25   1.427   3.631  11.853
  174   3HZ   LYS  25          3HZ       LYS  25   0.904   3.953  13.432
  175    H    GLU  26           H        GLU  26  -0.605   2.097   7.372
  176    HA   GLU  26           HA       GLU  26   1.996   3.330   6.774
  177   1HB   GLU  26          2HB       GLU  26  -0.509   3.141   5.291
  178   1HG   GLU  26          2HG       GLU  26   1.748   2.587   4.385
  179    H    SER  27           H        SER  27   1.889   5.793   6.961
  180    HA   SER  27           HA       SER  27  -0.046   6.769   8.869
  181   1HB   SER  27          2HB       SER  27   2.850   6.408   9.673
  182    HG   SER  27           HG       SER  27   0.442   5.204  10.333
  183    H    SER  28           H        SER  28  -0.556   8.657   8.035
  184    HA   SER  28           HA       SER  28   1.541  10.609   7.596
  185   1HB   SER  28          2HB       SER  28  -0.525  10.034   5.442
  186    HG   SER  28           HG       SER  28   2.145   9.238   5.770
  187    H    ASN  29           H        ASN  29   0.893  11.953   9.066
  188    HA   ASN  29           HA       ASN  29  -1.042  13.843   8.971
  189   1HB   ASN  29          2HB       ASN  29  -2.704  11.915   9.112
  190   1HD2  ASN  29          1HD2      ASN  29  -2.004  14.882  10.176
  191   2HD2  ASN  29          2HD2      ASN  29  -3.498  15.290  10.952
  192    H    PHE  30           H        PHE  30  -0.483  11.499  11.531
  193    HA   PHE  30           HA       PHE  30   1.789  13.047  12.423
  194   1HB   PHE  30          2HB       PHE  30  -0.150  11.668  14.321
  195    HD1  PHE  30           1HD      PHE  30   1.490  14.688  15.297
  196    HD2  PHE  30           2HD      PHE  30  -2.005  13.124  13.446
  197    HE1  PHE  30           1HE      PHE  30   0.316  16.804  15.733
  198    HE2  PHE  30           2HE      PHE  30  -3.184  15.240  13.872
  199    HZ   PHE  30           HZ       PHE  30  -2.020  17.084  15.015
  200    H    ARG  31           H        ARG  31  -0.167  10.184  12.880
  201    HA   ARG  31           HA       ARG  31   1.357   8.568  11.224
  202   1HB   ARG  31          2HB       ARG  31   2.208   6.921  12.922
  203   1HG   ARG  31          2HG       ARG  31   0.687   8.085  14.712
  204   1HD   ARG  31          2HD       ARG  31   1.733  10.240  14.701
  205    HE   ARG  31           HE       ARG  31   3.983  10.296  14.380
  206   1HH1  ARG  31          2HH1      ARG  31   3.336   7.894  16.868
  207   2HH1  ARG  31          1HH1      ARG  31   5.023   7.580  17.159
  208   1HH2  ARG  31          2HH2      ARG  31   6.168   9.894  14.775
  209   2HH2  ARG  31          1HH2      ARG  31   6.634   8.717  15.977
  210    H    ASN  32           H        ASN  32  -0.686   7.853  10.385
  211    HA   ASN  32           HA       ASN  32  -1.944   5.783  11.842
  212   1HB   ASN  32          2HB       ASN  32  -2.808   7.684  13.103
  213   1HD2  ASN  32          1HD2      ASN  32  -5.635   8.023  11.598
  214   2HD2  ASN  32          2HD2      ASN  32  -6.471   6.616  12.166
  215    H    ILE  33           H        ILE  33  -2.183   4.440  10.296
  216    HA   ILE  33           HA       ILE  33  -4.347   4.685   8.517
  217    HB   ILE  33           HB       ILE  33  -1.643   5.142   7.331
  218   1HG1  ILE  33          2HG1      ILE  33  -3.277   6.974   7.429
  219   1HG2  ILE  33          1HG2      ILE  33  -2.361   2.949   6.447
  220   2HG2  ILE  33          2HG2      ILE  33  -3.813   3.715   5.806
  221   3HG2  ILE  33          3HG2      ILE  33  -2.226   4.194   5.205
  222   1HD1  ILE  33          1HD1      ILE  33  -5.187   6.817   5.721
  223   2HD1  ILE  33          2HD1      ILE  33  -5.015   5.072   5.924
  224   3HD1  ILE  33          3HD1      ILE  33  -5.406   6.086   7.312
  225    H    ASP  34           H        ASP  34  -4.962   2.629   7.726
  226    HA   ASP  34           HA       ASP  34  -3.032   0.485   7.847
  227   1HB   ASP  34          2HB       ASP  34  -4.866  -1.031   8.926
  228    H    VAL  35           H        VAL  35  -3.284  -0.979   6.338
  229    HA   VAL  35           HA       VAL  35  -5.784  -1.005   4.773
  230    HB   VAL  35           HB       VAL  35  -2.971  -1.216   3.658
  231   1HG1  VAL  35          1HG1      VAL  35  -4.701  -0.751   1.561
  232   2HG1  VAL  35          2HG1      VAL  35  -3.968  -2.299   1.983
  233   3HG1  VAL  35          3HG1      VAL  35  -5.579  -1.896   2.575
  234   1HG2  VAL  35          1HG2      VAL  35  -3.224   0.935   2.726
  235   2HG2  VAL  35          2HG2      VAL  35  -4.938   0.995   3.132
  236   3HG2  VAL  35          3HG2      VAL  35  -3.725   1.081   4.410
  237    H    VAL  36           H        VAL  36  -6.660  -2.985   4.972
  238    HA   VAL  36           HA       VAL  36  -4.829  -5.266   5.301
  239    HB   VAL  36           HB       VAL  36  -6.282  -4.926   7.247
  240   1HG1  VAL  36          1HG1      VAL  36  -8.262  -3.975   6.647
  241   2HG1  VAL  36          2HG1      VAL  36  -8.417  -4.947   5.183
  242   3HG1  VAL  36          3HG1      VAL  36  -8.774  -5.658   6.757
  243   1HG2  VAL  36          1HG2      VAL  36  -6.761  -7.388   5.595
  244   2HG2  VAL  36          2HG2      VAL  36  -5.606  -7.156   6.905
  245   3HG2  VAL  36          3HG2      VAL  36  -7.332  -7.228   7.255
  246    H    PHE  37           H        PHE  37  -4.863  -6.874   3.835
  247    HA   PHE  37           HA       PHE  37  -7.112  -7.161   2.020
  248   1HB   PHE  37          2HB       PHE  37  -5.557  -6.965   0.032
  249    HD1  PHE  37           1HD      PHE  37  -3.324  -7.977   0.280
  250    HD2  PHE  37           2HD      PHE  37  -4.273  -4.177   1.940
  251    HE1  PHE  37           1HE      PHE  37  -0.927  -7.489   0.526
  252    HE2  PHE  37           2HE      PHE  37  -1.879  -3.685   2.196
  253    HZ   PHE  37           HZ       PHE  37  -0.201  -5.342   1.485
  254    H    GLU  38           H        GLU  38  -7.202  -9.068   0.947
  255    HA   GLU  38           HA       GLU  38  -5.255 -11.119   1.753
  256   1HB   GLU  38          2HB       GLU  38  -8.078 -11.455   0.713
  257   1HG   GLU  38          2HG       GLU  38  -7.054 -12.030   3.478
  258    H    LEU  39           H        LEU  39  -4.323 -12.392   0.127
  259    HA   LEU  39           HA       LEU  39  -3.823 -11.062  -2.288
  260   1HB   LEU  39          2HB       LEU  39  -3.247 -13.837  -1.313
  261    HG   LEU  39           HG       LEU  39  -1.424 -11.552  -2.075
  262   1HD1  LEU  39          1HD1      LEU  39  -0.979 -12.622   0.530
  263   2HD1  LEU  39          2HD1      LEU  39  -1.442 -10.985   0.067
  264   3HD1  LEU  39          3HD1      LEU  39  -2.683 -12.204   0.360
  265   1HD2  LEU  39          1HD2      LEU  39   0.221 -13.006  -2.377
  266   2HD2  LEU  39          2HD2      LEU  39  -0.084 -13.716  -0.790
  267   3HD2  LEU  39          3HD2      LEU  39  -0.937 -14.325  -2.208
  268    H    GLY  40           H        GLY  40  -4.992 -10.877  -4.039
  269   1HA   GLY  40          1HA       GLY  40  -6.394 -11.433  -5.791
  270   2HA   GLY  40          2HA       GLY  40  -6.460 -13.076  -5.174
  271    H    VAL  41           H        VAL  41  -7.324 -10.106  -3.450
  272    HA   VAL  41           HA       VAL  41 -10.137 -10.958  -3.538
  273    HB   VAL  41           HB       VAL  41  -8.585 -10.124  -1.083
  274   1HG1  VAL  41          1HG1      VAL  41 -10.435  -9.467  -0.019
  275   2HG1  VAL  41          2HG1      VAL  41 -11.190  -9.368  -1.610
  276   3HG1  VAL  41          3HG1      VAL  41 -11.369 -10.830  -0.639
  277   1HG2  VAL  41          1HG2      VAL  41  -8.322 -12.369  -1.112
  278   2HG2  VAL  41          2HG2      VAL  41  -9.929 -12.328  -0.383
  279   3HG2  VAL  41          3HG2      VAL  41  -9.752 -12.635  -2.113
  280    H    ASP  42           H        ASP  42 -11.604  -9.394  -3.766
  281    HA   ASP  42           HA       ASP  42 -10.628  -6.655  -4.195
  282   1HB   ASP  42          2HB       ASP  42 -11.790  -7.602  -6.094
  283    H    PHE  43           H        PHE  43 -11.386  -4.974  -3.023
  284    HA   PHE  43           HA       PHE  43 -13.595  -5.279  -1.164
  285   1HB   PHE  43          2HB       PHE  43 -12.107  -4.641   0.775
  286    HD1  PHE  43           1HD      PHE  43 -10.464  -2.865   0.319
  287    HD2  PHE  43           2HD      PHE  43  -9.802  -6.895  -0.870
  288    HE1  PHE  43           1HE      PHE  43  -8.080  -2.370  -0.015
  289    HE2  PHE  43           2HE      PHE  43  -7.417  -6.411  -1.202
  290    HZ   PHE  43           HZ       PHE  43  -6.550  -4.144  -0.770
  291    H    ALA  44           H        ALA  44 -13.940  -3.218   0.084
  292    HA   ALA  44           HA       ALA  44 -12.837  -0.851  -1.227
  293   1HB   ALA  44          1HB       ALA  44 -14.685  -1.194  -2.629
  294   2HB   ALA  44          2HB       ALA  44 -15.725  -1.666  -1.284
  295   3HB   ALA  44          3HB       ALA  44 -15.226   0.017  -1.467
  296    H    TYR  45           H        TYR  45 -12.541   0.768   0.159
  297    HA   TYR  45           HA       TYR  45 -14.323   1.387   2.238
  298   1HB   TYR  45          2HB       TYR  45 -12.645   1.183   4.135
  299    HD1  TYR  45           1HD      TYR  45 -10.310   1.640   2.884
  300    HD2  TYR  45           2HD      TYR  45 -12.132  -2.160   3.449
  301    HE1  TYR  45           1HE      TYR  45  -8.108   0.567   2.712
  302    HE2  TYR  45           2HE      TYR  45  -9.940  -3.249   3.267
  303    HH   TYR  45           HH       TYR  45  -7.766  -2.921   2.578
  304    H    SER  46           H        SER  46 -13.418   3.171   3.665
  305    HA   SER  46           HA       SER  46 -12.020   5.003   1.858
  306   1HB   SER  46          2HB       SER  46 -14.168   5.810   2.607
  307    HG   SER  46           HG       SER  46 -12.431   7.177   4.347
  308    H    LEU  47           H        LEU  47 -10.048   5.604   2.236
  309    HA   LEU  47           HA       LEU  47  -8.799   4.853   4.766
  310   1HB   LEU  47          2HB       LEU  47  -7.685   5.345   2.018
  311    HG   LEU  47           HG       LEU  47  -8.609   3.050   2.541
  312   1HD1  LEU  47          1HD1      LEU  47  -5.759   2.530   2.175
  313   2HD1  LEU  47          2HD1      LEU  47  -7.118   2.215   1.096
  314   3HD1  LEU  47          3HD1      LEU  47  -6.378   3.815   1.137
  315   1HD2  LEU  47          1HD2      LEU  47  -7.585   3.311   4.962
  316   2HD2  LEU  47          2HD2      LEU  47  -7.746   1.733   4.193
  317   3HD2  LEU  47          3HD2      LEU  47  -6.188   2.557   4.194
  318    H    ALA  48           H        ALA  48  -7.767   6.213   6.034
  319    HA   ALA  48           HA       ALA  48  -7.042   8.121   6.996
  320   1HB   ALA  48          1HB       ALA  48  -6.268   9.980   5.693
  321   2HB   ALA  48          2HB       ALA  48  -5.781   8.488   4.895
  322   3HB   ALA  48          3HB       ALA  48  -7.151   9.412   4.278
  323    H    ASP  49           H        ASP  49  -9.201   9.289   4.452
  324    HA   ASP  49           HA       ASP  49 -11.483   9.661   5.967
  325   1HB   ASP  49          2HB       ASP  49  -9.980  11.250   7.258
  326    H    GLY  50           H        GLY  50 -10.189   9.304   3.201
  327   1HA   GLY  50          1HA       GLY  50 -12.198  10.902   1.801
  328   2HA   GLY  50          2HA       GLY  50 -10.519  11.211   1.404
  329    H    THR  51           H        THR  51  -9.252   9.190   0.726
  330    HA   THR  51           HA       THR  51 -10.392   8.336  -1.641
  331    HB   THR  51           HB       THR  51  -8.549   6.733  -1.844
  332    HG1  THR  51           1HG      THR  51  -8.546   6.061   0.382
  333   1HG2  THR  51          1HG2      THR  51  -8.313   9.355  -1.953
  334   2HG2  THR  51          2HG2      THR  51  -6.896   8.311  -2.067
  335   3HG2  THR  51          3HG2      THR  51  -7.291   9.099  -0.539
  336    H    GLU  52           H        GLU  52 -11.893   6.876  -2.155
  337    HA   GLU  52           HA       GLU  52 -12.288   4.615  -0.311
  338   1HB   GLU  52          2HB       GLU  52 -14.380   5.732  -2.186
  339   1HG   GLU  52          2HG       GLU  52 -13.975   6.315   0.732
  340    H    LEU  53           H        LEU  53 -10.782   3.353  -1.363
  341    HA   LEU  53           HA       LEU  53 -11.096   3.013  -4.238
  342   1HB   LEU  53          2HB       LEU  53  -8.913   2.449  -2.283
  343    HG   LEU  53           HG       LEU  53  -8.862   3.740  -5.024
  344   1HD1  LEU  53          1HD1      LEU  53  -9.789   4.905  -2.815
  345   2HD1  LEU  53          2HD1      LEU  53  -8.064   5.157  -2.544
  346   3HD1  LEU  53          3HD1      LEU  53  -8.825   5.772  -4.011
  347   1HD2  LEU  53          1HD2      LEU  53  -6.835   2.341  -4.031
  348   2HD2  LEU  53          2HD2      LEU  53  -6.595   3.856  -4.902
  349   3HD2  LEU  53          3HD2      LEU  53  -6.569   3.839  -3.139
  350    H    THR  54           H        THR  54 -12.062   1.384  -5.111
  351    HA   THR  54           HA       THR  54 -12.506  -1.093  -3.576
  352    HB   THR  54           HB       THR  54 -13.843  -0.308  -6.166
  353    HG1  THR  54           1HG      THR  54 -14.262   0.657  -3.618
  354   1HG2  THR  54          1HG2      THR  54 -15.212  -1.970  -4.154
  355   2HG2  THR  54          2HG2      THR  54 -13.803  -2.703  -4.917
  356   3HG2  THR  54          3HG2      THR  54 -15.146  -2.136  -5.909
  357    H    GLY  55           H        GLY  55 -10.924  -2.572  -4.045
  358   1HA   GLY  55          1HA       GLY  55 -10.419  -3.231  -6.797
  359   2HA   GLY  55          2HA       GLY  55  -9.089  -2.367  -6.039
  360    H    THR  56           H        THR  56  -8.718  -4.822  -7.083
  361    HA   THR  56           HA       THR  56  -8.568  -6.633  -4.779
  362    HB   THR  56           HB       THR  56  -9.634  -7.631  -6.733
  363    HG1  THR  56           1HG      THR  56  -8.553  -9.466  -6.520
  364   1HG2  THR  56          1HG2      THR  56  -7.140  -6.737  -8.150
  365   2HG2  THR  56          2HG2      THR  56  -8.823  -6.437  -8.581
  366   3HG2  THR  56          3HG2      THR  56  -8.139  -8.051  -8.768
  367    H    TRP  57           H        TRP  57  -6.592  -7.522  -4.178
  368    HA   TRP  57           HA       TRP  57  -4.216  -6.188  -5.302
  369   1HB   TRP  57          2HB       TRP  57  -4.935  -5.355  -3.027
  370    HD1  TRP  57           HD       TRP  57  -2.014  -7.751  -2.343
  371    HE1  TRP  57           1HE      TRP  57   0.147  -6.367  -2.190
  372    HE3  TRP  57           3HE      TRP  57  -3.863  -3.192  -3.727
  373    HZ2  TRP  57           2HZ      TRP  57   0.962  -3.692  -2.592
  374    HZ3  TRP  57           3HZ      TRP  57  -2.331  -1.273  -3.811
  375    HH2  TRP  57           HH       TRP  57   0.033  -1.516  -3.254
  376    H    THR  58           H        THR  58  -2.472  -7.454  -5.726
  377    HA   THR  58           HA       THR  58  -2.480 -10.217  -4.727
  378    HB   THR  58           HB       THR  58  -1.460 -10.904  -6.948
  379    HG1  THR  58           1HG      THR  58  -0.991  -9.018  -7.970
  380   1HG2  THR  58          1HG2      THR  58  -3.478 -11.658  -7.613
  381   2HG2  THR  58          2HG2      THR  58  -4.189 -10.044  -7.632
  382   3HG2  THR  58          3HG2      THR  58  -4.040 -10.923  -6.111
  383    H    MET  59           H        MET  59  -0.454 -11.052  -4.259
  384    HA   MET  59           HA       MET  59   1.828  -9.262  -4.714
  385   1HB   MET  59          2HB       MET  59   1.190  -8.990  -2.378
  386   1HG   MET  59          2HG       MET  59   3.635 -10.732  -2.612
  387   1HE   MET  59          1HE       MET  59   5.562  -9.040  -1.365
  388   2HE   MET  59          2HE       MET  59   5.484  -8.905   0.392
  389   3HE   MET  59          3HE       MET  59   5.605 -10.494  -0.365
  390    H    GLU  60           H        GLU  60   2.976 -10.331  -6.151
  391    HA   GLU  60           HA       GLU  60   3.229 -13.243  -5.894
  392   1HB   GLU  60          2HB       GLU  60   3.954 -11.470  -8.237
  393   1HG   GLU  60          2HG       GLU  60   1.488 -13.171  -7.962
  394    H    GLY  61           H        GLY  61   4.904 -13.719  -4.596
  395   1HA   GLY  61          1HA       GLY  61   7.100 -14.004  -3.960
  396   2HA   GLY  61          2HA       GLY  61   7.584 -13.183  -5.436
  397    H    ASN  62           H        ASN  62   7.636 -10.892  -5.451
  398    HA   ASN  62           HA       ASN  62   7.379  -9.498  -2.923
  399   1HB   ASN  62          2HB       ASN  62   9.634  -8.425  -3.161
  400   1HD2  ASN  62          1HD2      ASN  62  11.070 -11.302  -3.887
  401   2HD2  ASN  62          2HD2      ASN  62  11.704 -10.910  -5.459
  402    H    LYS  63           H        LYS  63   5.815  -9.461  -5.146
  403    HA   LYS  63           HA       LYS  63   6.279  -6.764  -6.182
  404   1HB   LYS  63          2HB       LYS  63   5.358  -9.193  -7.705
  405   1HG   LYS  63          2HG       LYS  63   6.831  -8.108  -9.482
  406   1HD   LYS  63          2HD       LYS  63   8.097  -9.186  -6.968
  407   1HE   LYS  63          2HE       LYS  63   9.120  -8.986  -9.797
  408   1HZ   LYS  63          1HZ       LYS  63   9.726 -10.885  -7.803
  409   2HZ   LYS  63          2HZ       LYS  63  11.078  -9.893  -8.051
  410   3HZ   LYS  63          3HZ       LYS  63  10.384 -10.723  -9.357
  411    H    LEU  64           H        LEU  64   4.703  -5.453  -5.721
  412    HA   LEU  64           HA       LEU  64   2.181  -6.574  -4.727
  413   1HB   LEU  64          2HB       LEU  64   3.578  -3.942  -4.265
  414    HG   LEU  64           HG       LEU  64   4.447  -5.985  -3.021
  415   1HD1  LEU  64          1HD1      LEU  64   4.472  -3.471  -2.306
  416   2HD1  LEU  64          2HD1      LEU  64   3.294  -3.992  -1.100
  417   3HD1  LEU  64          3HD1      LEU  64   4.901  -4.720  -1.136
  418   1HD2  LEU  64          1HD2      LEU  64   2.483  -5.966  -0.966
  419   2HD2  LEU  64          2HD2      LEU  64   1.669  -6.282  -2.498
  420   3HD2  LEU  64          3HD2      LEU  64   3.006  -7.309  -1.981
  421    H    VAL  65           H        VAL  65   0.672  -6.590  -6.260
  422    HA   VAL  65           HA       VAL  65   0.398  -4.216  -7.982
  423    HB   VAL  65           HB       VAL  65   0.253  -7.095  -8.916
  424   1HG1  VAL  65          1HG1      VAL  65   0.259  -4.785 -10.790
  425   2HG1  VAL  65          2HG1      VAL  65  -0.446  -6.390 -10.976
  426   3HG1  VAL  65          3HG1      VAL  65  -1.242  -5.191  -9.960
  427   1HG2  VAL  65          1HG2      VAL  65   2.172  -5.359 -10.240
  428   2HG2  VAL  65          2HG2      VAL  65   2.515  -5.567  -8.524
  429   3HG2  VAL  65          3HG2      VAL  65   2.382  -6.977  -9.573
  430    H    GLY  66           H        GLY  66  -1.671  -3.620  -8.478
  431   1HA   GLY  66          1HA       GLY  66  -3.878  -5.411  -8.125
  432   2HA   GLY  66          2HA       GLY  66  -3.806  -4.175  -6.875
  433    H    LYS  67           H        LYS  67  -5.863  -3.491  -7.729
  434    HA   LYS  67           HA       LYS  67  -5.550  -1.261  -9.479
  435   1HB   LYS  67          2HB       LYS  67  -5.779  -3.160 -11.122
  436   1HG   LYS  67          2HG       LYS  67  -8.061  -1.194 -11.091
  437   1HD   LYS  67          2HD       LYS  67  -7.923  -1.598 -13.606
  438   1HE   LYS  67          2HE       LYS  67  -9.329  -3.659 -13.481
  439   1HZ   LYS  67          1HZ       LYS  67 -10.006  -1.208 -12.759
  440   2HZ   LYS  67          2HZ       LYS  67 -10.307  -2.003 -11.291
  441   3HZ   LYS  67          3HZ       LYS  67 -11.092  -2.511 -12.706
  442    H    PHE  68           H        PHE  68  -6.674   0.171  -8.323
  443    HA   PHE  68           HA       PHE  68  -9.165  -0.739  -7.049
  444   1HB   PHE  68          2HB       PHE  68  -7.110   1.254  -6.083
  445    HD1  PHE  68           1HD      PHE  68  -8.689  -0.206  -3.422
  446    HD2  PHE  68           2HD      PHE  68  -5.855  -1.142  -6.452
  447    HE1  PHE  68           1HE      PHE  68  -7.763  -1.985  -2.004
  448    HE2  PHE  68           2HE      PHE  68  -4.929  -2.929  -5.042
  449    HZ   PHE  68           HZ       PHE  68  -5.884  -3.353  -2.813
  450    H    LYS  69           H        LYS  69 -10.890   0.689  -6.915
  451    HA   LYS  69           HA       LYS  69 -10.857   2.809  -8.937
  452   1HB   LYS  69          2HB       LYS  69 -12.551   1.180  -9.393
  453   1HG   LYS  69          2HG       LYS  69 -13.989   3.409  -7.976
  454   1HD   LYS  69          2HD       LYS  69 -15.399   1.530  -8.727
  455   1HE   LYS  69          2HE       LYS  69 -14.233   2.211 -11.419
  456   1HZ   LYS  69          1HZ       LYS  69 -16.529   0.443 -10.761
  457   2HZ   LYS  69          2HZ       LYS  69 -15.776   0.550 -12.279
  458   3HZ   LYS  69          3HZ       LYS  69 -16.597   1.887 -11.644
  459    H    ARG  70           H        ARG  70 -10.959   4.817  -8.339
  460    HA   ARG  70           HA       ARG  70 -11.753   5.500  -5.585
  461   1HB   ARG  70          2HB       ARG  70  -9.405   5.728  -5.728
  462   1HG   ARG  70          2HG       ARG  70  -8.845   7.991  -5.526
  463   1HD   ARG  70          2HD       ARG  70 -11.755   7.853  -4.785
  464    HE   ARG  70           HE       ARG  70  -9.716   9.798  -4.285
  465   1HH1  ARG  70          2HH1      ARG  70 -12.639   8.351  -2.980
  466   2HH1  ARG  70          1HH1      ARG  70 -12.901   9.628  -1.828
  467   1HH2  ARG  70          2HH2      ARG  70 -10.105  11.499  -2.842
  468   2HH2  ARG  70          1HH2      ARG  70 -11.480  11.436  -1.774
  469    H    VAL  71           H        VAL  71 -13.870   5.911  -6.302
  470    HA   VAL  71           HA       VAL  71 -14.543   7.252  -8.621
  471    HB   VAL  71           HB       VAL  71 -16.116   5.849  -7.362
  472   1HG1  VAL  71          1HG1      VAL  71 -15.589   6.665  -5.102
  473   2HG1  VAL  71          2HG1      VAL  71 -16.402   8.183  -5.481
  474   3HG1  VAL  71          3HG1      VAL  71 -17.319   6.677  -5.442
  475   1HG2  VAL  71          1HG2      VAL  71 -18.088   7.578  -7.497
  476   2HG2  VAL  71          2HG2      VAL  71 -16.853   8.596  -8.236
  477   3HG2  VAL  71          3HG2      VAL  71 -17.255   7.036  -8.955
  478    H    ASP  72           H        ASP  72 -14.009   8.635  -5.396
  479    HA   ASP  72           HA       ASP  72 -14.856  11.259  -6.257
  480   1HB   ASP  72          2HB       ASP  72 -15.073  10.360  -3.889
  481    H    ASN  73           H        ASN  73 -12.975  10.384  -7.982
  482    HA   ASN  73           HA       ASN  73 -11.102  12.516  -7.936
  483   1HB   ASN  73          2HB       ASN  73  -9.864  11.048  -6.422
  484   1HD2  ASN  73          1HD2      ASN  73  -8.095   9.389  -8.534
  485   2HD2  ASN  73          2HD2      ASN  73  -6.975  10.607  -9.029
  486    H    GLY  74           H        GLY  74 -11.591   9.240  -9.229
  487   1HA   GLY  74          1HA       GLY  74 -12.392  10.074 -11.765
  488   2HA   GLY  74          2HA       GLY  74 -10.654   9.817 -11.838
  489    H    LYS  75           H        LYS  75 -12.970   8.084  -9.893
  490    HA   LYS  75           HA       LYS  75 -13.296   5.891  -9.516
  491   1HB   LYS  75          2HB       LYS  75 -14.304   4.663 -11.322
  492   1HG   LYS  75          2HG       LYS  75 -13.436   6.861 -13.187
  493   1HD   LYS  75          2HD       LYS  75 -14.960   4.306 -13.680
  494   1HE   LYS  75          2HE       LYS  75 -14.211   6.530 -15.569
  495   1HZ   LYS  75          1HZ       LYS  75 -15.021   4.121 -16.781
  496   2HZ   LYS  75          2HZ       LYS  75 -15.695   5.667 -16.944
  497   3HZ   LYS  75          3HZ       LYS  75 -16.233   4.633 -15.711
  498    H    GLU  76           H        GLU  76 -10.478   6.501  -9.870
  499    HA   GLU  76           HA       GLU  76  -9.544   3.810 -10.015
  500   1HB   GLU  76          2HB       GLU  76  -9.077   5.633 -12.317
  501   1HG   GLU  76          2HG       GLU  76  -9.095   2.634 -12.076
  502    H    LEU  77           H        LEU  77  -7.655   3.523  -9.034
  503    HA   LEU  77           HA       LEU  77  -5.606   5.400  -8.830
  504   1HB   LEU  77          2HB       LEU  77  -7.119   6.418  -7.141
  505    HG   LEU  77           HG       LEU  77  -4.639   5.231  -5.877
  506   1HD1  LEU  77          1HD1      LEU  77  -3.404   6.743  -6.954
  507   2HD1  LEU  77          2HD1      LEU  77  -4.780   6.932  -8.038
  508   3HD1  LEU  77          3HD1      LEU  77  -4.577   8.027  -6.673
  509   1HD2  LEU  77          1HD2      LEU  77  -6.639   7.240  -4.985
  510   2HD2  LEU  77          2HD2      LEU  77  -5.725   6.057  -4.049
  511   3HD2  LEU  77          3HD2      LEU  77  -4.942   7.534  -4.609
  512    H    ILE  78           H        ILE  78  -4.047   3.958  -9.214
  513    HA   ILE  78           HA       ILE  78  -4.299   1.304  -7.974
  514    HB   ILE  78           HB       ILE  78  -2.751   2.147 -10.430
  515   1HG1  ILE  78          2HG1      ILE  78  -5.309   0.547 -10.178
  516   1HG2  ILE  78          1HG2      ILE  78  -3.320  -0.653  -9.487
  517   2HG2  ILE  78          2HG2      ILE  78  -2.267  -0.144 -10.807
  518   3HG2  ILE  78          3HG2      ILE  78  -1.820   0.206  -9.138
  519   1HD1  ILE  78          1HD1      ILE  78  -3.775   0.031 -12.146
  520   2HD1  ILE  78          2HD1      ILE  78  -5.449   0.463 -12.500
  521   3HD1  ILE  78          3HD1      ILE  78  -4.167   1.656 -12.711
  522    H    ALA  79           H        ALA  79  -2.821   0.560  -6.586
  523    HA   ALA  79           HA       ALA  79  -0.278   2.035  -6.342
  524   1HB   ALA  79          1HB       ALA  79  -1.406   0.229  -4.215
  525   2HB   ALA  79          2HB       ALA  79  -0.168   1.477  -4.064
  526   3HB   ALA  79          3HB       ALA  79  -1.852   1.932  -4.322
  527    H    VAL  80           H        VAL  80   1.441   0.973  -7.082
  528    HA   VAL  80           HA       VAL  80   1.563  -1.954  -6.950
  529    HB   VAL  80           HB       VAL  80   1.845  -0.343  -9.501
  530   1HG1  VAL  80          1HG1      VAL  80   2.256  -3.256  -9.631
  531   2HG1  VAL  80          2HG1      VAL  80   3.052  -1.952 -10.514
  532   3HG1  VAL  80          3HG1      VAL  80   3.554  -2.338  -8.868
  533   1HG2  VAL  80          1HG2      VAL  80   0.308  -2.821  -9.554
  534   2HG2  VAL  80          2HG2      VAL  80  -0.350  -1.607  -8.455
  535   3HG2  VAL  80          3HG2      VAL  80  -0.104  -1.215 -10.156
  536    H    ARG  81           H        ARG  81   3.582  -2.647  -6.404
  537    HA   ARG  81           HA       ARG  81   5.919  -1.331  -7.289
  538   1HB   ARG  81          2HB       ARG  81   5.084   0.136  -5.335
  539   1HG   ARG  81          2HG       ARG  81   7.408   0.397  -4.436
  540   1HD   ARG  81          2HD       ARG  81   6.850   0.340  -7.383
  541    HE   ARG  81           HE       ARG  81   9.434   0.634  -6.285
  542   1HH1  ARG  81          2HH1      ARG  81   7.265   2.013  -8.658
  543   2HH1  ARG  81          1HH1      ARG  81   8.531   2.781  -9.567
  544   1HH2  ARG  81          2HH2      ARG  81  11.117   1.614  -7.486
  545   2HH2  ARG  81          1HH2      ARG  81  10.732   2.525  -8.921
  546    H    GLU  82           H        GLU  82   7.826  -2.452  -6.848
  547    HA   GLU  82           HA       GLU  82   7.423  -5.145  -5.745
  548   1HB   GLU  82          2HB       GLU  82   9.397  -5.783  -7.062
  549   1HG   GLU  82          2HG       GLU  82   9.397  -2.894  -7.877
  550    H    ILE  83           H        ILE  83   9.211  -6.024  -4.473
  551    HA   ILE  83           HA       ILE  83  10.476  -3.916  -2.853
  552    HB   ILE  83           HB       ILE  83   9.882  -6.817  -2.220
  553   1HG1  ILE  83          2HG1      ILE  83   8.644  -5.690  -0.278
  554   1HG2  ILE  83          1HG2      ILE  83  11.492  -4.810  -0.660
  555   2HG2  ILE  83          2HG2      ILE  83  10.805  -6.268   0.053
  556   3HG2  ILE  83          3HG2      ILE  83  11.998  -6.396  -1.239
  557   1HD1  ILE  83          1HD1      ILE  83   7.067  -6.495  -1.683
  558   2HD1  ILE  83          2HD1      ILE  83   6.791  -4.770  -1.923
  559   3HD1  ILE  83          3HD1      ILE  83   7.745  -5.679  -3.094
  560    H    SER  84           H        SER  84  12.562  -3.557  -3.200
  561    HA   SER  84           HA       SER  84  14.187  -5.700  -4.401
  562   1HB   SER  84          2HB       SER  84  13.996  -3.579  -5.699
  563    HG   SER  84           HG       SER  84  16.559  -3.234  -5.213
  564    H    GLY  85           H        GLY  85  15.619  -6.678  -3.104
  565   1HA   GLY  85          1HA       GLY  85  16.997  -7.098  -1.300
  566   2HA   GLY  85          2HA       GLY  85  17.235  -5.358  -1.158
  567    H    ASN  86           H        ASN  86  16.594  -4.573   0.725
  568    HA   ASN  86           HA       ASN  86  13.927  -5.368   1.607
  569   1HB   ASN  86          2HB       ASN  86  16.340  -5.129   3.396
  570   1HD2  ASN  86          1HD2      ASN  86  14.394  -7.187   1.690
  571   2HD2  ASN  86          2HD2      ASN  86  14.506  -8.573   2.710
  572    H    GLU  87           H        GLU  87  13.072  -3.651   0.694
  573    HA   GLU  87           HA       GLU  87  12.953  -1.298   2.198
  574   1HB   GLU  87          2HB       GLU  87  13.799   0.346   0.640
  575   1HG   GLU  87          2HG       GLU  87  14.523  -1.968  -1.129
  576    H    LEU  88           H        LEU  88  11.134  -0.015   1.473
  577    HA   LEU  88           HA       LEU  88   9.633  -1.352  -0.665
  578   1HB   LEU  88          2HB       LEU  88   8.693  -1.955   1.518
  579    HG   LEU  88           HG       LEU  88   6.968  -0.102  -0.116
  580   1HD1  LEU  88          1HD1      LEU  88   7.903  -2.351  -0.984
  581   2HD1  LEU  88          2HD1      LEU  88   6.685  -3.061   0.076
  582   3HD1  LEU  88          3HD1      LEU  88   6.196  -1.963  -1.215
  583   1HD2  LEU  88          1HD2      LEU  88   5.392  -0.163   1.434
  584   2HD2  LEU  88          2HD2      LEU  88   5.417  -1.926   1.401
  585   3HD2  LEU  88          3HD2      LEU  88   6.477  -1.050   2.506
  586    H    ILE  89           H        ILE  89   8.719  -0.128  -2.129
  587    HA   ILE  89           HA       ILE  89   8.606   2.778  -1.702
  588    HB   ILE  89           HB       ILE  89   8.688   1.477  -4.430
  589   1HG1  ILE  89          2HG1      ILE  89  10.788   0.899  -3.278
  590   1HG2  ILE  89          1HG2      ILE  89   8.733   4.247  -3.373
  591   2HG2  ILE  89          2HG2      ILE  89   9.679   3.911  -4.822
  592   3HG2  ILE  89          3HG2      ILE  89   7.945   3.591  -4.808
  593   1HD1  ILE  89          1HD1      ILE  89  11.947   3.538  -3.215
  594   2HD1  ILE  89          2HD1      ILE  89  10.620   3.376  -2.065
  595   3HD1  ILE  89          3HD1      ILE  89  11.981   2.255  -2.006
  596    H    GLN  90           H        GLN  90   6.620   3.740  -2.633
  597    HA   GLN  90           HA       GLN  90   4.508   1.787  -3.212
  598   1HB   GLN  90          2HB       GLN  90   4.454   2.276  -0.790
  599   1HG   GLN  90          2HG       GLN  90   2.146   3.535  -2.248
  600   1HE2  GLN  90          1HE2      GLN  90   3.673   3.307   0.665
  601   2HE2  GLN  90          2HE2      GLN  90   2.312   3.460   1.716
  602    H    THR  91           H        THR  91   3.823   2.380  -5.161
  603    HA   THR  91           HA       THR  91   3.785   5.230  -5.840
  604    HB   THR  91           HB       THR  91   3.346   3.107  -7.890
  605    HG1  THR  91           1HG      THR  91   5.417   2.482  -7.881
  606   1HG2  THR  91          1HG2      THR  91   3.843   4.751  -9.327
  607   2HG2  THR  91          2HG2      THR  91   5.268   5.236  -8.408
  608   3HG2  THR  91          3HG2      THR  91   3.677   5.845  -7.952
  609    H    TYR  92           H        TYR  92   1.970   6.266  -6.240
  610    HA   TYR  92           HA       TYR  92  -0.537   4.749  -6.480
  611   1HB   TYR  92          2HB       TYR  92  -0.064   7.657  -5.759
  612    HD1  TYR  92           1HD      TYR  92   1.421   6.387  -3.945
  613    HD2  TYR  92           2HD      TYR  92  -2.826   6.227  -4.166
  614    HE1  TYR  92           1HE      TYR  92   1.326   5.741  -1.575
  615    HE2  TYR  92           2HE      TYR  92  -2.928   5.585  -1.797
  616    HH   TYR  92           HH       TYR  92  -0.447   4.404  -0.098
  617    H    THR  93           H        THR  93  -0.868   4.342  -8.546
  618    HA   THR  93           HA       THR  93  -0.121   6.342 -10.558
  619    HB   THR  93           HB       THR  93  -0.904   3.456 -10.998
  620    HG1  THR  93           1HG      THR  93   1.160   4.194  -9.689
  621   1HG2  THR  93          1HG2      THR  93   0.904   5.005 -12.789
  622   2HG2  THR  93          2HG2      THR  93  -0.825   5.342 -12.856
  623   3HG2  THR  93          3HG2      THR  93  -0.232   3.713 -13.177
  624    H    TYR  94           H        TYR  94  -1.599   7.268 -11.872
  625    HA   TYR  94           HA       TYR  94  -4.249   6.214 -12.197
  626   1HB   TYR  94          2HB       TYR  94  -4.689   7.252 -10.089
  627    HD1  TYR  94           1HD      TYR  94  -6.794   6.727 -11.528
  628    HD2  TYR  94           2HD      TYR  94  -4.899  10.538 -11.386
  629    HE1  TYR  94           1HE      TYR  94  -8.826   7.775 -12.447
  630    HE2  TYR  94           2HE      TYR  94  -6.933  11.593 -12.271
  631    HH   TYR  94           HH       TYR  94  -9.167  10.170 -13.884
  632    H    GLU  95           H        GLU  95  -5.116   6.883 -14.069
  633    HA   GLU  95           HA       GLU  95  -5.465   7.965 -16.019
  634   1HB   GLU  95          2HB       GLU  95  -5.897   9.863 -14.545
  635   1HG   GLU  95          2HG       GLU  95  -4.309  10.804 -16.917
  636    H    GLY  96           H        GLY  96  -2.362   9.429 -15.042
  637   1HA   GLY  96          1HA       GLY  96  -0.825   7.889 -16.869
  638   2HA   GLY  96          2HA       GLY  96  -1.178   9.470 -17.554
  639    H    VAL  97           H        VAL  97  -0.829   8.971 -14.138
  640    HA   VAL  97           HA       VAL  97   1.908   9.978 -14.166
  641    HB   VAL  97           HB       VAL  97   1.307  11.513 -12.215
  642   1HG1  VAL  97          1HG1      VAL  97   0.097  13.096 -14.110
  643   2HG1  VAL  97          2HG1      VAL  97   1.832  12.915 -13.861
  644   3HG1  VAL  97          3HG1      VAL  97   1.009  11.934 -15.073
  645   1HG2  VAL  97          1HG2      VAL  97  -1.280  12.235 -13.039
  646   2HG2  VAL  97          2HG2      VAL  97  -1.298  10.485 -12.823
  647   3HG2  VAL  97          3HG2      VAL  97  -0.795  11.532 -11.495
  648    H    GLU  98           H        GLU  98   3.102   9.445 -12.338
  649    HA   GLU  98           HA       GLU  98   1.819   7.529 -10.500
  650   1HB   GLU  98          2HB       GLU  98   3.947   6.242 -10.528
  651   1HG   GLU  98          2HG       GLU  98   4.687   7.833 -12.963
  652    H    ALA  99           H        ALA  99   2.079   8.016  -8.419
  653    HA   ALA  99           HA       ALA  99   4.287   9.833  -7.679
  654   1HB   ALA  99          1HB       ALA  99   2.936  10.952  -6.195
  655   2HB   ALA  99          2HB       ALA  99   1.758  10.540  -7.441
  656   3HB   ALA  99          3HB       ALA  99   1.858   9.575  -5.969
  657    H    LYS 100           H        LYS 100   5.837   8.749  -6.596
  658    HA   LYS 100           HA       LYS 100   4.940   6.547  -4.876
  659   1HB   LYS 100          2HB       LYS 100   7.190   5.494  -5.282
  660   1HG   LYS 100          2HG       LYS 100   7.263   7.292  -7.688
  661   1HD   LYS 100          2HD       LYS 100   9.323   5.331  -6.698
  662   1HE   LYS 100          2HE       LYS 100  10.035   7.181  -8.220
  663   1HZ   LYS 100          1HZ       LYS 100   9.371   6.984 -10.550
  664   2HZ   LYS 100          2HZ       LYS 100   8.049   7.374  -9.558
  665   3HZ   LYS 100          3HZ       LYS 100   8.242   5.791 -10.136
  666    H    ARG 101           H        ARG 101   5.657   6.386  -2.911
  667    HA   ARG 101           HA       ARG 101   7.474   8.482  -1.924
  668   1HB   ARG 101          2HB       ARG 101   5.067   8.323  -1.037
  669   1HG   ARG 101          2HG       ARG 101   7.025   7.962   1.197
  670   1HD   ARG 101          2HD       ARG 101   5.680   9.709   2.227
  671    HE   ARG 101           HE       ARG 101   4.667   7.194   1.776
  672   1HH1  ARG 101          2HH1      ARG 101   3.287  10.373   2.219
  673   2HH1  ARG 101          1HH1      ARG 101   1.894   9.792   3.069
  674   1HH2  ARG 101          2HH2      ARG 101   2.817   6.411   2.898
  675   2HH2  ARG 101          1HH2      ARG 101   1.608   7.546   3.427
  676    H    ILE 102           H        ILE 102   9.311   7.860  -0.848
  677    HA   ILE 102           HA       ILE 102  10.007   5.058  -1.286
  678    HB   ILE 102           HB       ILE 102  11.695   7.534  -0.912
  679   1HG1  ILE 102          2HG1      ILE 102  12.523   6.726  -3.226
  680   1HG2  ILE 102          1HG2      ILE 102  12.874   5.771   0.195
  681   2HG2  ILE 102          2HG2      ILE 102  12.600   4.674  -1.160
  682   3HG2  ILE 102          3HG2      ILE 102  13.653   6.074  -1.359
  683   1HD1  ILE 102          1HD1      ILE 102   9.719   7.770  -2.938
  684   2HD1  ILE 102          2HD1      ILE 102  11.196   8.713  -3.134
  685   3HD1  ILE 102          3HD1      ILE 102  10.616   7.698  -4.454
  686    H    PHE 103           H        PHE 103  10.534   3.655   0.262
  687    HA   PHE 103           HA       PHE 103  11.152   4.633   2.955
  688   1HB   PHE 103          2HB       PHE 103   9.406   2.208   2.630
  689    HD1  PHE 103           1HD      PHE 103   7.584   2.487   1.253
  690    HD2  PHE 103           2HD      PHE 103   8.681   5.621   3.913
  691    HE1  PHE 103           1HE      PHE 103   5.528   3.698   0.665
  692    HE2  PHE 103           2HE      PHE 103   6.623   6.836   3.330
  693    HZ   PHE 103           HZ       PHE 103   5.044   5.873   1.708
  694    H    LYS 104           H        LYS 104  12.084   2.832   4.300
  695    HA   LYS 104           HA       LYS 104  13.278   0.666   2.776
  696   1HB   LYS 104          2HB       LYS 104  15.525   1.218   3.946
  697   1HG   LYS 104          2HG       LYS 104  16.006   3.640   4.087
  698   1HD   LYS 104          2HD       LYS 104  13.848   2.832   6.028
  699   1HE   LYS 104          2HE       LYS 104  16.245   4.641   6.317
  700   1HZ   LYS 104          1HZ       LYS 104  15.739   3.540   8.376
  701   2HZ   LYS 104          2HZ       LYS 104  14.095   3.926   8.234
  702   3HZ   LYS 104          3HZ       LYS 104  15.233   5.158   8.475
  703    H    LYS 105           H        LYS 105  14.057  -1.064   4.141
  704    HA   LYS 105           HA       LYS 105  12.356  -1.603   6.279
  705   1HB   LYS 105          2HB       LYS 105  13.501  -3.382   5.051
  706   1HG   LYS 105          2HG       LYS 105  14.170  -3.295   7.981
  707   1HD   LYS 105          2HD       LYS 105  14.230  -5.704   6.176
  708   1HE   LYS 105          2HE       LYS 105  13.600  -6.201   8.470
  709   1HZ   LYS 105          1HZ       LYS 105  15.584  -5.746  10.114
  710   2HZ   LYS 105          2HZ       LYS 105  14.364  -4.595   9.874
  711   3HZ   LYS 105          3HZ       LYS 105  15.852  -4.426   9.084
  712    H    GLU 106           H        GLU 106  12.438  -1.271   8.433
  713    HA   GLU 106           HA       GLU 106  14.529   0.429   9.500
  714   1HB   GLU 106          2HB       GLU 106  12.229   0.828  10.225
  715   1HG   GLU 106          2HG       GLU 106  13.728  -0.402  12.522
  Start of MODEL    7
    1   1H    ALA   1          1H        ALA   1   9.305 -13.344   6.216
    2   2H    ALA   1          2H        ALA   1  10.348 -12.180   6.870
    3   3H    ALA   1          3H        ALA   1  10.967 -13.420   5.891
    4    HA   ALA   1           HA       ALA   1  10.929 -11.678   4.437
    5   1HB   ALA   1          1HB       ALA   1   8.914 -13.659   4.146
    6   2HB   ALA   1          2HB       ALA   1   8.283 -12.133   3.523
    7   3HB   ALA   1          3HB       ALA   1   9.793 -12.789   2.889
    8    H    PHE   2           H        PHE   2   7.893 -11.645   6.298
    9    HA   PHE   2           HA       PHE   2   8.077  -8.740   6.466
   10   1HB   PHE   2          2HB       PHE   2   5.713 -10.203   5.284
   11    HD1  PHE   2           1HD      PHE   2   6.285  -6.665   4.856
   12    HD2  PHE   2           2HD      PHE   2   7.035 -10.517   3.219
   13    HE1  PHE   2           1HE      PHE   2   6.866  -5.626   2.704
   14    HE2  PHE   2           2HE      PHE   2   7.627  -9.488   1.064
   15    HZ   PHE   2           HZ       PHE   2   7.540  -7.043   0.801
   16    H    ASP   3           H        ASP   3   6.521  -7.880   8.071
   17    HA   ASP   3           HA       ASP   3   4.927  -9.423   9.704
   18   1HB   ASP   3          2HB       ASP   3   6.819 -10.504  10.616
   19    H    GLY   4           H        GLY   4   7.224  -6.714  10.309
   20   1HA   GLY   4          1HA       GLY   4   5.561  -4.939   9.475
   21   2HA   GLY   4          2HA       GLY   4   5.023  -5.050  11.140
   22    H    THR   5           H        THR   5   7.576  -4.057   9.001
   23    HA   THR   5           HA       THR   5   7.514  -1.725  10.179
   24    HB   THR   5           HB       THR   5  10.169  -1.833  10.953
   25    HG1  THR   5           1HG      THR   5   9.270  -3.619  12.745
   26   1HG2  THR   5          1HG2      THR   5   7.559  -1.290  12.131
   27   2HG2  THR   5          2HG2      THR   5   9.092  -0.433  12.325
   28   3HG2  THR   5          3HG2      THR   5   8.749  -1.853  13.310
   29    H    TRP   6           H        TRP   6   7.629  -0.765   8.211
   30    HA   TRP   6           HA       TRP   6  10.277  -0.759   6.938
   31   1HB   TRP   6          2HB       TRP   6   7.724  -1.058   5.319
   32    HD1  TRP   6           HD       TRP   6   7.715  -3.426   7.158
   33    HE1  TRP   6           1HE      TRP   6   8.370  -5.796   6.411
   34    HE3  TRP   6           3HE      TRP   6  10.486  -2.235   3.028
   35    HZ2  TRP   6           2HZ      TRP   6   9.849  -7.005   4.334
   36    HZ3  TRP   6           3HZ      TRP   6  11.475  -4.066   1.708
   37    HH2  TRP   6           HH       TRP   6  11.164  -6.398   2.351
   38    H    LYS   7           H        LYS   7  10.636   1.404   7.544
   39    HA   LYS   7           HA       LYS   7   9.267   3.371   6.041
   40   1HB   LYS   7          2HB       LYS   7   7.729   2.668   8.066
   41   1HG   LYS   7          2HG       LYS   7   6.889   5.007   8.285
   42   1HD   LYS   7          2HD       LYS   7   7.365   4.282   5.408
   43   1HE   LYS   7          2HE       LYS   7   5.056   5.515   6.915
   44   1HZ   LYS   7          1HZ       LYS   7   4.715   5.845   4.207
   45   2HZ   LYS   7          2HZ       LYS   7   3.785   4.872   5.237
   46   3HZ   LYS   7          3HZ       LYS   7   5.100   4.208   4.399
   47    H    VAL   8           H        VAL   8   9.851   5.603   6.676
   48    HA   VAL   8           HA       VAL   8  12.694   5.664   7.393
   49    HB   VAL   8           HB       VAL   8  11.046   7.764   5.978
   50   1HG1  VAL   8          1HG1      VAL   8  13.631   7.842   7.083
   51   2HG1  VAL   8          2HG1      VAL   8  13.841   7.773   5.332
   52   3HG1  VAL   8          3HG1      VAL   8  12.855   9.047   6.054
   53   1HG2  VAL   8          1HG2      VAL   8  11.807   5.252   4.987
   54   2HG2  VAL   8          2HG2      VAL   8  11.184   6.627   4.072
   55   3HG2  VAL   8          3HG2      VAL   8  12.925   6.412   4.268
   56    H    GLY   9           H        GLY   9  13.450   6.918   9.007
   57   1HA   GLY   9          1HA       GLY   9  13.493   8.264  10.860
   58   2HA   GLY   9          2HA       GLY   9  12.474   9.300   9.880
   59    H    GLY  10           H        GLY  10  11.017  10.076  11.242
   60   1HA   GLY  10          1HA       GLY  10   9.953   8.501  13.403
   61   2HA   GLY  10          2HA       GLY  10   9.544  10.165  13.021
   62    H    LEU  11           H        LEU  11   9.320   7.470  10.788
   63    HA   LEU  11           HA       LEU  11   6.382   7.588  10.990
   64   1HB   LEU  11          2HB       LEU  11   7.828   6.835   8.458
   65    HG   LEU  11           HG       LEU  11   8.449   9.166   8.725
   66   1HD1  LEU  11          1HD1      LEU  11   6.144   9.145   6.810
   67   2HD1  LEU  11          2HD1      LEU  11   7.716   9.925   6.654
   68   3HD1  LEU  11          3HD1      LEU  11   7.586   8.171   6.523
   69   1HD2  LEU  11          1HD2      LEU  11   5.695  10.189   8.638
   70   2HD2  LEU  11          2HD2      LEU  11   6.156   9.443  10.168
   71   3HD2  LEU  11          3HD2      LEU  11   7.099  10.785   9.521
   72    H    LYS  12           H        LYS  12   5.368   5.578  11.010
   73    HA   LYS  12           HA       LYS  12   7.191   3.273  10.996
   74   1HB   LYS  12          2HB       LYS  12   5.740   2.206  12.691
   75   1HG   LYS  12          2HG       LYS  12   4.464   4.912  13.019
   76   1HD   LYS  12          2HD       LYS  12   3.081   3.799  14.678
   77   1HE   LYS  12          2HE       LYS  12   6.005   3.275  15.186
   78   1HZ   LYS  12          1HZ       LYS  12   5.507   3.316  17.439
   79   2HZ   LYS  12          2HZ       LYS  12   4.275   2.349  16.784
   80   3HZ   LYS  12          3HZ       LYS  12   3.958   3.961  17.201
   81    H    LEU  13           H        LEU  13   6.546   1.448  10.001
   82    HA   LEU  13           HA       LEU  13   3.857   1.311   8.866
   83   1HB   LEU  13          2HB       LEU  13   5.676   2.305   7.246
   84    HG   LEU  13           HG       LEU  13   3.446   1.638   6.392
   85   1HD1  LEU  13          1HD1      LEU  13   5.465   0.605   4.444
   86   2HD1  LEU  13          2HD1      LEU  13   4.067   1.646   4.167
   87   3HD1  LEU  13          3HD1      LEU  13   5.508   2.295   4.953
   88   1HD2  LEU  13          1HD2      LEU  13   4.458  -0.957   5.425
   89   2HD2  LEU  13          2HD2      LEU  13   4.038  -0.876   7.136
   90   3HD2  LEU  13          3HD2      LEU  13   2.831  -0.481   5.912
   91    H    THR  14           H        THR  14   3.104  -0.699   9.003
   92    HA   THR  14           HA       THR  14   4.957  -2.869   9.663
   93    HB   THR  14           HB       THR  14   2.364  -2.104  10.984
   94    HG1  THR  14           1HG      THR  14   4.864  -1.619  11.558
   95   1HG2  THR  14          1HG2      THR  14   2.992  -4.244  12.405
   96   2HG2  THR  14          2HG2      THR  14   3.698  -4.765  10.874
   97   3HG2  THR  14          3HG2      THR  14   1.982  -4.362  10.964
   98    H    ILE  15           H        ILE  15   4.697  -4.642   8.483
   99    HA   ILE  15           HA       ILE  15   2.252  -4.931   6.850
  100    HB   ILE  15           HB       ILE  15   5.093  -5.713   6.209
  101   1HG1  ILE  15          2HG1      ILE  15   3.397  -3.444   5.096
  102   1HG2  ILE  15          1HG2      ILE  15   4.332  -6.542   4.153
  103   2HG2  ILE  15          2HG2      ILE  15   3.039  -7.024   5.252
  104   3HG2  ILE  15          3HG2      ILE  15   2.836  -5.611   4.218
  105   1HD1  ILE  15          1HD1      ILE  15   5.572  -2.768   4.008
  106   2HD1  ILE  15          2HD1      ILE  15   6.120  -4.417   4.309
  107   3HD1  ILE  15          3HD1      ILE  15   4.718  -4.127   3.282
  108    H    THR  16           H        THR  16   1.247  -6.488   8.137
  109    HA   THR  16           HA       THR  16   2.882  -8.753   9.016
  110    HB   THR  16           HB       THR  16   0.057  -8.047   9.863
  111    HG1  THR  16           1HG      THR  16   2.560  -7.056  10.642
  112   1HG2  THR  16          1HG2      THR  16   0.712  -9.358  11.897
  113   2HG2  THR  16          2HG2      THR  16   2.175  -9.844  11.043
  114   3HG2  THR  16          3HG2      THR  16   0.594 -10.315  10.421
  115    H    GLN  17           H        GLN  17   2.462 -10.864   8.453
  116    HA   GLN  17           HA       GLN  17   0.019 -11.454   7.007
  117   1HB   GLN  17          2HB       GLN  17   1.420 -12.614   5.172
  118   1HG   GLN  17          2HG       GLN  17   3.397 -11.188   4.525
  119   1HE2  GLN  17          1HE2      GLN  17   4.874 -11.547   7.357
  120   2HE2  GLN  17          2HE2      GLN  17   5.359 -13.201   7.254
  121    H    GLU  18           H        GLU  18  -0.579 -13.542   6.971
  122    HA   GLU  18           HA       GLU  18   1.001 -15.377   8.617
  123   1HB   GLU  18          2HB       GLU  18  -1.182 -16.704   8.661
  124   1HG   GLU  18          2HG       GLU  18  -2.322 -14.084   7.704
  125    H    GLY  19           H        GLY  19  -1.246 -17.093   6.771
  126   1HA   GLY  19          1HA       GLY  19   0.771 -18.257   5.086
  127   2HA   GLY  19          2HA       GLY  19  -0.961 -18.554   4.998
  128    H    ASN  20           H        ASN  20  -2.083 -16.275   4.494
  129    HA   ASN  20           HA       ASN  20  -0.659 -14.559   2.756
  130   1HB   ASN  20          2HB       ASN  20  -2.388 -14.833   0.850
  131   1HD2  ASN  20          1HD2      ASN  20  -4.226 -15.759   0.320
  132   2HD2  ASN  20          2HD2      ASN  20  -4.718 -17.365   0.751
  133    H    LYS  21           H        LYS  21  -1.279 -12.982   4.031
  134    HA   LYS  21           HA       LYS  21  -3.755 -11.742   3.578
  135   1HB   LYS  21          2HB       LYS  21  -4.530 -13.444   5.219
  136   1HG   LYS  21          2HG       LYS  21  -4.466 -10.687   6.414
  137   1HD   LYS  21          2HD       LYS  21  -6.690 -12.662   6.690
  138   1HE   LYS  21          2HE       LYS  21  -6.885 -10.267   7.396
  139   1HZ   LYS  21          1HZ       LYS  21  -5.028 -11.064   9.571
  140   2HZ   LYS  21          2HZ       LYS  21  -5.750  -9.547   9.343
  141   3HZ   LYS  21          3HZ       LYS  21  -4.567 -10.094   8.258
  142    H    PHE  22           H        PHE  22  -3.023  -9.680   3.460
  143    HA   PHE  22           HA       PHE  22  -0.769  -9.005   5.224
  144   1HB   PHE  22          2HB       PHE  22  -1.436  -8.136   2.426
  145    HD1  PHE  22           1HD      PHE  22   1.863  -7.570   2.952
  146    HD2  PHE  22           2HD      PHE  22  -0.846 -10.837   2.627
  147    HE1  PHE  22           1HE      PHE  22   3.716  -9.033   2.261
  148    HE2  PHE  22           2HE      PHE  22   1.003 -12.305   1.942
  149    HZ   PHE  22           HZ       PHE  22   3.286 -11.404   1.758
  150    H    THR  23           H        THR  23  -0.634  -7.016   6.177
  151    HA   THR  23           HA       THR  23  -2.858  -5.174   5.899
  152    HB   THR  23           HB       THR  23  -3.454  -6.615   7.844
  153    HG1  THR  23           1HG      THR  23  -4.201  -4.893   8.890
  154   1HG2  THR  23          1HG2      THR  23  -2.074  -7.066   9.555
  155   2HG2  THR  23          2HG2      THR  23  -1.475  -5.409   9.629
  156   3HG2  THR  23          3HG2      THR  23  -0.788  -6.544   8.468
  157    H    VAL  24           H        VAL  24  -2.211  -3.100   6.021
  158    HA   VAL  24           HA       VAL  24   0.675  -2.680   6.415
  159    HB   VAL  24           HB       VAL  24  -1.277  -1.233   4.608
  160   1HG1  VAL  24          1HG1      VAL  24   1.338  -0.443   5.628
  161   2HG1  VAL  24          2HG1      VAL  24   1.241  -0.430   3.869
  162   3HG1  VAL  24          3HG1      VAL  24   0.100   0.517   4.821
  163   1HG2  VAL  24          1HG2      VAL  24  -0.407  -2.383   2.843
  164   2HG2  VAL  24          2HG2      VAL  24   1.170  -2.584   3.608
  165   3HG2  VAL  24          3HG2      VAL  24  -0.184  -3.599   4.101
  166    H    LYS  25           H        LYS  25   1.317  -1.293   7.910
  167    HA   LYS  25           HA       LYS  25  -0.713   0.337   9.277
  168   1HB   LYS  25          2HB       LYS  25   0.495  -1.025  10.825
  169   1HG   LYS  25          2HG       LYS  25   1.728   1.720  10.842
  170   1HD   LYS  25          2HD       LYS  25   3.108   0.114  12.126
  171   1HE   LYS  25          2HE       LYS  25   0.489  -0.373  13.539
  172   1HZ   LYS  25          1HZ       LYS  25   3.250  -0.697  14.494
  173   2HZ   LYS  25          2HZ       LYS  25   2.084  -1.844  14.942
  174   3HZ   LYS  25          3HZ       LYS  25   1.860  -0.209  15.340
  175    H    GLU  26           H        GLU  26  -0.872   2.300   8.426
  176    HA   GLU  26           HA       GLU  26   1.599   3.607   7.519
  177   1HB   GLU  26          2HB       GLU  26  -1.230   3.748   6.609
  178   1HG   GLU  26          2HG       GLU  26   0.475   2.519   5.324
  179    H    SER  27           H        SER  27   2.313   5.390   8.437
  180    HA   SER  27           HA       SER  27   0.558   7.010  10.108
  181   1HB   SER  27          2HB       SER  27   3.211   5.962  11.140
  182    HG   SER  27           HG       SER  27   1.157   4.556  11.051
  183    H    SER  28           H        SER  28   0.819   9.014   9.398
  184    HA   SER  28           HA       SER  28   3.418  10.175   9.005
  185   1HB   SER  28          2HB       SER  28   1.580   9.800   6.621
  186    HG   SER  28           HG       SER  28   3.593   8.338   7.522
  187    H    ASN  29           H        ASN  29   3.379  12.372   9.066
  188    HA   ASN  29           HA       ASN  29   2.655  14.464   9.514
  189   1HB   ASN  29          2HB       ASN  29   0.071  13.494   8.281
  190   1HD2  ASN  29          1HD2      ASN  29   3.263  13.934   7.668
  191   2HD2  ASN  29          2HD2      ASN  29   3.164  14.428   6.013
  192    H    PHE  30           H        PHE  30  -0.407  12.734  10.098
  193    HA   PHE  30           HA       PHE  30  -0.077  12.644  12.917
  194   1HB   PHE  30          2HB       PHE  30  -0.470  15.107  12.589
  195    HD1  PHE  30           1HD      PHE  30  -0.222  13.387  14.888
  196    HD2  PHE  30           2HD      PHE  30  -3.647  15.435  13.411
  197    HE1  PHE  30           1HE      PHE  30  -1.182  13.407  17.153
  198    HE2  PHE  30           2HE      PHE  30  -4.615  15.453  15.673
  199    HZ   PHE  30           HZ       PHE  30  -3.381  14.441  17.548
  200    H    ARG  31           H        ARG  31  -0.644  10.579  11.482
  201    HA   ARG  31           HA       ARG  31  -3.332   9.862  12.209
  202   1HB   ARG  31          2HB       ARG  31  -4.121   9.321   9.962
  203   1HG   ARG  31          2HG       ARG  31  -1.462  10.399   9.110
  204   1HD   ARG  31          2HD       ARG  31  -3.893  10.064   7.369
  205    HE   ARG  31           HE       ARG  31  -1.323   9.941   6.554
  206   1HH1  ARG  31          2HH1      ARG  31  -3.833  12.346   6.192
  207   2HH1  ARG  31          1HH1      ARG  31  -3.265  12.907   4.647
  208   1HH2  ARG  31          2HH2      ARG  31  -0.538  10.688   4.518
  209   2HH2  ARG  31          1HH2      ARG  31  -1.396  11.961   3.693
  210    H    ASN  32           H        ASN  32  -3.619   7.701  12.366
  211    HA   ASN  32           HA       ASN  32  -1.508   5.924  11.339
  212   1HB   ASN  32          2HB       ASN  32  -1.204   6.202  13.777
  213   1HD2  ASN  32          1HD2      ASN  32   0.221   4.680  14.116
  214   2HD2  ASN  32          2HD2      ASN  32  -0.040   2.979  13.969
  215    H    ILE  33           H        ILE  33  -2.324   4.298  10.141
  216    HA   ILE  33           HA       ILE  33  -5.050   3.375  10.541
  217    HB   ILE  33           HB       ILE  33  -5.418   5.325   9.149
  218   1HG1  ILE  33          2HG1      ILE  33  -5.629   2.794   7.504
  219   1HG2  ILE  33          1HG2      ILE  33  -4.106   5.998   7.477
  220   2HG2  ILE  33          2HG2      ILE  33  -2.947   4.815   8.085
  221   3HG2  ILE  33          3HG2      ILE  33  -4.034   4.387   6.761
  222   1HD1  ILE  33          1HD1      ILE  33  -7.819   4.669   7.315
  223   2HD1  ILE  33          2HD1      ILE  33  -6.302   5.348   6.725
  224   3HD1  ILE  33          3HD1      ILE  33  -6.917   3.842   6.043
  225    H    ASP  34           H        ASP  34  -5.376   1.329   9.789
  226    HA   ASP  34           HA       ASP  34  -3.043   0.042   8.537
  227   1HB   ASP  34          2HB       ASP  34  -5.202  -1.237  10.222
  228    H    VAL  35           H        VAL  35  -3.281  -0.993   6.658
  229    HA   VAL  35           HA       VAL  35  -5.996  -1.147   5.507
  230    HB   VAL  35           HB       VAL  35  -3.402  -1.176   3.962
  231   1HG1  VAL  35          1HG1      VAL  35  -5.480  -2.112   2.919
  232   2HG1  VAL  35          2HG1      VAL  35  -6.178  -0.494   3.013
  233   3HG1  VAL  35          3HG1      VAL  35  -4.736  -0.780   2.036
  234   1HG2  VAL  35          1HG2      VAL  35  -4.705   1.065   5.233
  235   2HG2  VAL  35          2HG2      VAL  35  -3.156   0.989   4.393
  236   3HG2  VAL  35          3HG2      VAL  35  -4.639   1.269   3.482
  237    H    VAL  36           H        VAL  36  -6.734  -3.191   5.738
  238    HA   VAL  36           HA       VAL  36  -4.788  -5.370   5.528
  239    HB   VAL  36           HB       VAL  36  -6.194  -5.271   7.577
  240   1HG1  VAL  36          1HG1      VAL  36  -8.244  -4.419   6.428
  241   2HG1  VAL  36          2HG1      VAL  36  -8.497  -6.048   5.803
  242   3HG1  VAL  36          3HG1      VAL  36  -8.526  -5.756   7.542
  243   1HG2  VAL  36          1HG2      VAL  36  -7.218  -7.768   6.716
  244   2HG2  VAL  36          2HG2      VAL  36  -5.665  -7.517   5.918
  245   3HG2  VAL  36          3HG2      VAL  36  -5.775  -7.446   7.677
  246    H    PHE  37           H        PHE  37  -4.927  -6.947   4.020
  247    HA   PHE  37           HA       PHE  37  -7.208  -7.202   2.274
  248   1HB   PHE  37          2HB       PHE  37  -5.756  -6.762   0.221
  249    HD1  PHE  37           1HD      PHE  37  -4.744  -3.904   2.182
  250    HD2  PHE  37           2HD      PHE  37  -3.404  -7.532   0.411
  251    HE1  PHE  37           1HE      PHE  37  -2.419  -3.129   2.361
  252    HE2  PHE  37           2HE      PHE  37  -1.076  -6.765   0.597
  253    HZ   PHE  37           HZ       PHE  37  -0.579  -4.560   1.571
  254    H    GLU  38           H        GLU  38  -7.218  -9.057   1.099
  255    HA   GLU  38           HA       GLU  38  -5.084 -10.970   1.724
  256   1HB   GLU  38          2HB       GLU  38  -7.962 -11.382   0.906
  257   1HG   GLU  38          2HG       GLU  38  -6.549 -12.322   3.386
  258    H    LEU  39           H        LEU  39  -4.216 -12.246   0.062
  259    HA   LEU  39           HA       LEU  39  -3.697 -10.848  -2.312
  260   1HB   LEU  39          2HB       LEU  39  -3.173 -13.687  -1.465
  261    HG   LEU  39           HG       LEU  39  -1.285 -11.381  -1.968
  262   1HD1  LEU  39          1HD1      LEU  39  -1.043 -12.699   0.574
  263   2HD1  LEU  39          2HD1      LEU  39  -1.316 -10.994   0.213
  264   3HD1  LEU  39          3HD1      LEU  39  -2.685 -12.100   0.336
  265   1HD2  LEU  39          1HD2      LEU  39  -0.667 -13.865  -2.619
  266   2HD2  LEU  39          2HD2      LEU  39   0.496 -12.788  -1.846
  267   3HD2  LEU  39          3HD2      LEU  39  -0.372 -13.986  -0.885
  268    H    GLY  40           H        GLY  40  -4.799 -10.672  -4.113
  269   1HA   GLY  40          1HA       GLY  40  -6.178 -11.184  -5.878
  270   2HA   GLY  40          2HA       GLY  40  -6.245 -12.838  -5.290
  271    H    VAL  41           H        VAL  41  -7.172  -9.935  -3.485
  272    HA   VAL  41           HA       VAL  41  -9.974 -10.825  -3.682
  273    HB   VAL  41           HB       VAL  41  -8.543  -9.833  -1.209
  274   1HG1  VAL  41          1HG1      VAL  41 -10.712  -8.772  -1.285
  275   2HG1  VAL  41          2HG1      VAL  41 -11.488 -10.313  -1.649
  276   3HG1  VAL  41          3HG1      VAL  41 -10.734 -10.056  -0.075
  277   1HG2  VAL  41          1HG2      VAL  41  -8.167 -12.067  -1.117
  278   2HG2  VAL  41          2HG2      VAL  41  -9.806 -12.080  -0.471
  279   3HG2  VAL  41          3HG2      VAL  41  -9.526 -12.448  -2.172
  280    H    ASP  42           H        ASP  42 -11.461  -9.275  -4.092
  281    HA   ASP  42           HA       ASP  42 -10.454  -6.523  -4.401
  282   1HB   ASP  42          2HB       ASP  42 -12.165  -6.139  -6.037
  283    H    PHE  43           H        PHE  43 -11.438  -4.863  -3.369
  284    HA   PHE  43           HA       PHE  43 -13.863  -5.228  -1.838
  285   1HB   PHE  43          2HB       PHE  43 -12.693  -4.839   0.340
  286    HD1  PHE  43           1HD      PHE  43 -10.099  -6.837  -1.254
  287    HD2  PHE  43           2HD      PHE  43 -11.038  -3.062   0.472
  288    HE1  PHE  43           1HE      PHE  43  -7.704  -6.308  -1.132
  289    HE2  PHE  43           2HE      PHE  43  -8.641  -2.520   0.597
  290    HZ   PHE  43           HZ       PHE  43  -6.972  -4.141  -0.204
  291    H    ALA  44           H        ALA  44 -14.525  -3.301  -0.752
  292    HA   ALA  44           HA       ALA  44 -13.281  -0.865  -1.845
  293   1HB   ALA  44          1HB       ALA  44 -15.523   0.168  -1.091
  294   2HB   ALA  44          2HB       ALA  44 -15.504  -0.825  -2.550
  295   3HB   ALA  44          3HB       ALA  44 -16.095  -1.498  -1.030
  296    H    TYR  45           H        TYR  45 -12.504   0.658  -0.455
  297    HA   TYR  45           HA       TYR  45 -13.081   0.479   2.388
  298   1HB   TYR  45          2HB       TYR  45 -11.203  -1.175   1.750
  299    HD1  TYR  45           1HD      TYR  45  -8.690   0.453   3.224
  300    HD2  TYR  45           2HD      TYR  45 -12.692  -0.671   4.133
  301    HE1  TYR  45           1HE      TYR  45  -8.150   0.482   5.622
  302    HE2  TYR  45           2HE      TYR  45 -12.162  -0.638   6.532
  303    HH   TYR  45           HH       TYR  45 -10.321  -0.771   8.013
  304    H    SER  46           H        SER  46 -12.675   2.366   3.472
  305    HA   SER  46           HA       SER  46 -11.821   4.627   1.805
  306   1HB   SER  46          2HB       SER  46 -14.023   4.960   2.725
  307    HG   SER  46           HG       SER  46 -12.568   6.428   4.596
  308    H    LEU  47           H        LEU  47  -9.976   5.613   2.201
  309    HA   LEU  47           HA       LEU  47  -8.513   4.857   4.634
  310   1HB   LEU  47          2HB       LEU  47  -7.506   5.654   1.906
  311    HG   LEU  47           HG       LEU  47  -8.225   3.294   2.023
  312   1HD1  LEU  47          1HD1      LEU  47  -6.058   4.241   0.853
  313   2HD1  LEU  47          2HD1      LEU  47  -5.254   3.186   2.017
  314   3HD1  LEU  47          3HD1      LEU  47  -6.414   2.512   0.871
  315   1HD2  LEU  47          1HD2      LEU  47  -7.910   2.932   4.410
  316   2HD2  LEU  47          2HD2      LEU  47  -7.011   1.742   3.469
  317   3HD2  LEU  47          3HD2      LEU  47  -6.166   3.098   4.215
  318    H    ALA  48           H        ALA  48  -8.064   6.347   6.056
  319    HA   ALA  48           HA       ALA  48  -7.880   8.329   7.136
  320   1HB   ALA  48          1HB       ALA  48  -6.513   8.782   4.554
  321   2HB   ALA  48          2HB       ALA  48  -6.902  10.216   5.505
  322   3HB   ALA  48          3HB       ALA  48  -5.909   8.936   6.205
  323    H    ASP  49           H        ASP  49 -10.374   7.688   5.837
  324    HA   ASP  49           HA       ASP  49 -12.382   8.567   5.240
  325   1HB   ASP  49          2HB       ASP  49 -11.993   9.437   7.599
  326    H    GLY  50           H        GLY  50 -10.724   8.874   3.173
  327   1HA   GLY  50          1HA       GLY  50 -11.681  11.355   1.988
  328   2HA   GLY  50          2HA       GLY  50  -9.936  11.181   2.102
  329    H    THR  51           H        THR  51  -9.402   8.660   1.411
  330    HA   THR  51           HA       THR  51 -10.304   8.582  -1.365
  331    HB   THR  51           HB       THR  51  -8.516   6.939  -1.720
  332    HG1  THR  51           1HG      THR  51  -8.537   5.965   0.351
  333   1HG2  THR  51          1HG2      THR  51  -7.586   8.984  -2.113
  334   2HG2  THR  51          2HG2      THR  51  -6.584   8.483  -0.754
  335   3HG2  THR  51          3HG2      THR  51  -7.939   9.579  -0.492
  336    H    GLU  52           H        GLU  52 -11.857   7.218  -1.996
  337    HA   GLU  52           HA       GLU  52 -12.429   4.897  -0.284
  338   1HB   GLU  52          2HB       GLU  52 -14.346   6.302  -2.166
  339   1HG   GLU  52          2HG       GLU  52 -14.141   6.410   0.827
  340    H    LEU  53           H        LEU  53 -11.079   3.486  -1.233
  341    HA   LEU  53           HA       LEU  53 -11.167   3.247  -4.146
  342   1HB   LEU  53          2HB       LEU  53  -9.156   2.532  -2.057
  343    HG   LEU  53           HG       LEU  53  -8.827   3.863  -4.759
  344   1HD1  LEU  53          1HD1      LEU  53  -9.914   5.150  -2.817
  345   2HD1  LEU  53          2HD1      LEU  53  -8.311   5.105  -2.080
  346   3HD1  LEU  53          3HD1      LEU  53  -8.542   5.883  -3.646
  347   1HD2  LEU  53          1HD2      LEU  53  -6.975   2.462  -3.116
  348   2HD2  LEU  53          2HD2      LEU  53  -6.675   3.350  -4.610
  349   3HD2  LEU  53          3HD2      LEU  53  -6.584   4.181  -3.057
  350    H    THR  54           H        THR  54 -12.158   1.646  -5.087
  351    HA   THR  54           HA       THR  54 -12.716  -0.829  -3.581
  352    HB   THR  54           HB       THR  54 -13.937  -0.044  -6.230
  353    HG1  THR  54           1HG      THR  54 -14.405   1.066  -3.795
  354   1HG2  THR  54          1HG2      THR  54 -14.226  -2.262  -4.341
  355   2HG2  THR  54          2HG2      THR  54 -14.651  -2.167  -6.052
  356   3HG2  THR  54          3HG2      THR  54 -15.760  -1.541  -4.830
  357    H    GLY  55           H        GLY  55 -11.153  -2.355  -4.022
  358   1HA   GLY  55          1HA       GLY  55 -10.403  -2.840  -6.775
  359   2HA   GLY  55          2HA       GLY  55  -9.166  -2.045  -5.827
  360    H    THR  56           H        THR  56  -8.652  -4.378  -7.032
  361    HA   THR  56           HA       THR  56  -8.600  -6.367  -4.864
  362    HB   THR  56           HB       THR  56  -9.590  -7.210  -6.963
  363    HG1  THR  56           1HG      THR  56  -8.666  -9.050  -6.516
  364   1HG2  THR  56          1HG2      THR  56  -6.891  -6.786  -8.237
  365   2HG2  THR  56          2HG2      THR  56  -8.260  -5.698  -8.468
  366   3HG2  THR  56          3HG2      THR  56  -8.366  -7.376  -9.000
  367    H    TRP  57           H        TRP  57  -6.587  -7.302  -4.314
  368    HA   TRP  57           HA       TRP  57  -4.221  -5.861  -5.324
  369   1HB   TRP  57          2HB       TRP  57  -4.890  -5.131  -3.026
  370    HD1  TRP  57           HD       TRP  57  -2.173  -7.549  -2.002
  371    HE1  TRP  57           1HE      TRP  57   0.088  -6.322  -1.965
  372    HE3  TRP  57           3HE      TRP  57  -3.576  -3.166  -4.226
  373    HZ2  TRP  57           2HZ      TRP  57   1.135  -3.829  -2.757
  374    HZ3  TRP  57           3HZ      TRP  57  -1.889  -1.408  -4.539
  375    HH2  TRP  57           HH       TRP  57   0.420  -1.735  -3.819
  376    H    THR  58           H        THR  58  -2.404  -7.048  -5.710
  377    HA   THR  58           HA       THR  58  -2.450  -9.920  -5.069
  378    HB   THR  58           HB       THR  58  -1.339 -10.292  -7.327
  379    HG1  THR  58           1HG      THR  58  -0.997  -7.929  -7.663
  380   1HG2  THR  58          1HG2      THR  58  -4.115  -9.992  -6.662
  381   2HG2  THR  58          2HG2      THR  58  -3.355 -11.137  -7.769
  382   3HG2  THR  58          3HG2      THR  58  -3.856  -9.546  -8.349
  383    H    MET  59           H        MET  59  -0.457 -10.830  -4.607
  384    HA   MET  59           HA       MET  59   1.888  -9.101  -4.931
  385   1HB   MET  59          2HB       MET  59   1.382  -9.112  -2.526
  386   1HG   MET  59          2HG       MET  59   3.778 -10.806  -3.232
  387   1HE   MET  59          1HE       MET  59   5.797  -9.031  -1.611
  388   2HE   MET  59          2HE       MET  59   5.917  -9.829  -0.042
  389   3HE   MET  59          3HE       MET  59   5.934 -10.788  -1.522
  390    H    GLU  60           H        GLU  60   2.867 -10.043  -6.555
  391    HA   GLU  60           HA       GLU  60   3.064 -12.972  -6.598
  392   1HB   GLU  60          2HB       GLU  60   2.109 -11.849  -8.591
  393   1HG   GLU  60          2HG       GLU  60   4.807 -12.957  -9.292
  394    H    GLY  61           H        GLY  61   4.823 -13.648  -5.567
  395   1HA   GLY  61          1HA       GLY  61   7.034 -13.897  -4.994
  396   2HA   GLY  61          2HA       GLY  61   7.447 -12.895  -6.378
  397    H    ASN  62           H        ASN  62   8.063 -10.876  -6.059
  398    HA   ASN  62           HA       ASN  62   7.614  -9.643  -3.439
  399   1HB   ASN  62          2HB       ASN  62   9.842  -8.510  -3.675
  400   1HD2  ASN  62          1HD2      ASN  62  11.426 -11.182  -4.581
  401   2HD2  ASN  62          2HD2      ASN  62  11.957 -10.703  -6.155
  402    H    LYS  63           H        LYS  63   5.949  -9.391  -5.581
  403    HA   LYS  63           HA       LYS  63   6.389  -6.602  -6.338
  404   1HB   LYS  63          2HB       LYS  63   5.457  -8.850  -8.091
  405   1HG   LYS  63          2HG       LYS  63   6.688  -7.291  -9.783
  406   1HD   LYS  63          2HD       LYS  63   8.867  -8.344  -9.193
  407   1HE   LYS  63          2HE       LYS  63   6.537 -10.239  -8.981
  408   1HZ   LYS  63          1HZ       LYS  63   8.789 -11.193  -8.702
  409   2HZ   LYS  63          2HZ       LYS  63   9.191 -10.623 -10.252
  410   3HZ   LYS  63          3HZ       LYS  63   7.966 -11.785 -10.064
  411    H    LEU  64           H        LEU  64   4.868  -5.327  -5.768
  412    HA   LEU  64           HA       LEU  64   2.347  -6.430  -4.752
  413   1HB   LEU  64          2HB       LEU  64   3.820  -3.862  -4.139
  414    HG   LEU  64           HG       LEU  64   4.789  -6.017  -3.165
  415   1HD1  LEU  64          1HD1      LEU  64   4.239  -3.461  -1.974
  416   2HD1  LEU  64          2HD1      LEU  64   4.204  -4.706  -0.725
  417   3HD1  LEU  64          3HD1      LEU  64   5.633  -4.517  -1.742
  418   1HD2  LEU  64          1HD2      LEU  64   2.480  -6.981  -2.750
  419   2HD2  LEU  64          2HD2      LEU  64   3.632  -7.117  -1.421
  420   3HD2  LEU  64          3HD2      LEU  64   2.369  -5.887  -1.370
  421    H    VAL  65           H        VAL  65   0.635  -6.054  -5.959
  422    HA   VAL  65           HA       VAL  65   0.369  -3.645  -7.576
  423    HB   VAL  65           HB       VAL  65   1.793  -4.978  -8.965
  424   1HG1  VAL  65          1HG1      VAL  65   0.018  -7.198  -8.182
  425   2HG1  VAL  65          2HG1      VAL  65   0.822  -7.261  -9.752
  426   3HG1  VAL  65          3HG1      VAL  65   1.778  -7.119  -8.275
  427   1HG2  VAL  65          1HG2      VAL  65  -1.004  -5.291 -10.023
  428   2HG2  VAL  65          2HG2      VAL  65  -0.053  -3.809 -10.107
  429   3HG2  VAL  65          3HG2      VAL  65   0.484  -5.251 -10.970
  430    H    GLY  66           H        GLY  66  -1.727  -3.427  -8.507
  431   1HA   GLY  66          1HA       GLY  66  -3.706  -5.431  -8.317
  432   2HA   GLY  66          2HA       GLY  66  -3.853  -4.319  -6.960
  433    H    LYS  67           H        LYS  67  -5.835  -3.541  -7.665
  434    HA   LYS  67           HA       LYS  67  -5.606  -1.308  -9.432
  435   1HB   LYS  67          2HB       LYS  67  -5.995  -3.119 -11.085
  436   1HG   LYS  67          2HG       LYS  67  -8.364  -1.293 -10.730
  437   1HD   LYS  67          2HD       LYS  67  -8.757  -3.236 -12.273
  438   1HE   LYS  67          2HE       LYS  67  -7.676  -2.974 -14.541
  439   1HZ   LYS  67          1HZ       LYS  67  -5.447  -3.674 -12.857
  440   2HZ   LYS  67          2HZ       LYS  67  -6.266  -4.603 -14.016
  441   3HZ   LYS  67          3HZ       LYS  67  -6.887  -4.473 -12.447
  442    H    PHE  68           H        PHE  68  -6.470   0.089  -8.063
  443    HA   PHE  68           HA       PHE  68  -9.059  -0.576  -6.833
  444   1HB   PHE  68          2HB       PHE  68  -6.819   1.159  -5.769
  445    HD1  PHE  68           1HD      PHE  68  -5.802  -1.330  -6.107
  446    HD2  PHE  68           2HD      PHE  68  -8.684  -0.155  -3.206
  447    HE1  PHE  68           1HE      PHE  68  -5.157  -3.238  -4.694
  448    HE2  PHE  68           2HE      PHE  68  -8.035  -2.054  -1.785
  449    HZ   PHE  68           HZ       PHE  68  -6.268  -3.598  -2.528
  450    H    LYS  69           H        LYS  69 -10.620   1.093  -6.769
  451    HA   LYS  69           HA       LYS  69  -9.993   3.294  -8.601
  452   1HB   LYS  69          2HB       LYS  69 -12.187   3.185  -9.533
  453   1HG   LYS  69          2HG       LYS  69 -12.802   0.904  -7.677
  454   1HD   LYS  69          2HD       LYS  69 -14.940   0.851  -8.747
  455   1HE   LYS  69          2HE       LYS  69 -14.330   0.405 -11.142
  456   1HZ   LYS  69          1HZ       LYS  69 -12.330  -0.819  -9.337
  457   2HZ   LYS  69          2HZ       LYS  69 -13.106  -1.505 -10.671
  458   3HZ   LYS  69          3HZ       LYS  69 -13.976  -1.224  -9.243
  459    H    ARG  70           H        ARG  70 -10.239   5.233  -7.906
  460    HA   ARG  70           HA       ARG  70 -11.409   5.731  -5.277
  461   1HB   ARG  70          2HB       ARG  70  -9.100   6.520  -6.260
  462   1HG   ARG  70          2HG       ARG  70 -10.054   7.237  -4.035
  463   1HD   ARG  70          2HD       ARG  70 -10.854   9.648  -5.654
  464    HE   ARG  70           HE       ARG  70 -11.665   9.629  -2.928
  465   1HH1  ARG  70          2HH1      ARG  70  -8.891  10.366  -4.977
  466   2HH1  ARG  70          1HH1      ARG  70  -8.281  11.586  -3.905
  467   1HH2  ARG  70          2HH2      ARG  70 -10.823  11.222  -1.531
  468   2HH2  ARG  70          1HH2      ARG  70  -9.366  12.074  -1.967
  469    H    VAL  71           H        VAL  71 -13.567   6.045  -5.402
  470    HA   VAL  71           HA       VAL  71 -14.913   6.836  -7.704
  471    HB   VAL  71           HB       VAL  71 -16.039   5.557  -6.013
  472   1HG1  VAL  71          1HG1      VAL  71 -14.899   6.550  -4.060
  473   2HG1  VAL  71          2HG1      VAL  71 -15.927   7.976  -4.221
  474   3HG1  VAL  71          3HG1      VAL  71 -16.645   6.407  -3.850
  475   1HG2  VAL  71          1HG2      VAL  71 -17.819   6.450  -7.020
  476   2HG2  VAL  71          2HG2      VAL  71 -17.974   7.441  -5.570
  477   3HG2  VAL  71          3HG2      VAL  71 -17.142   8.078  -6.989
  478    H    ASP  72           H        ASP  72 -13.938   8.847  -4.933
  479    HA   ASP  72           HA       ASP  72 -15.337  11.156  -5.680
  480   1HB   ASP  72          2HB       ASP  72 -14.323  10.902  -3.464
  481    H    ASN  73           H        ASN  73 -12.195   9.965  -6.692
  482    HA   ASN  73           HA       ASN  73 -11.447  12.315  -8.172
  483   1HB   ASN  73          2HB       ASN  73 -10.442   9.474  -8.108
  484   1HD2  ASN  73          1HD2      ASN  73 -10.290  12.718  -7.024
  485   2HD2  ASN  73          2HD2      ASN  73  -8.823  12.564  -6.108
  486    H    GLY  74           H        GLY  74 -12.724   9.142  -8.927
  487   1HA   GLY  74          1HA       GLY  74 -14.545   9.871 -10.857
  488   2HA   GLY  74          2HA       GLY  74 -13.040   9.541 -11.717
  489    H    LYS  75           H        LYS  75 -11.902   7.520 -10.885
  490    HA   LYS  75           HA       LYS  75 -13.099   5.549  -9.437
  491   1HB   LYS  75          2HB       LYS  75 -13.786   3.895 -11.146
  492   1HG   LYS  75          2HG       LYS  75 -13.908   6.222 -13.049
  493   1HD   LYS  75          2HD       LYS  75 -14.422   4.480 -14.703
  494   1HE   LYS  75          2HE       LYS  75 -16.296   4.414 -12.340
  495   1HZ   LYS  75          1HZ       LYS  75 -16.709   2.799 -14.187
  496   2HZ   LYS  75          2HZ       LYS  75 -16.940   4.128 -15.217
  497   3HZ   LYS  75          3HZ       LYS  75 -17.973   3.892 -13.894
  498    H    GLU  76           H        GLU  76 -10.569   6.301  -9.452
  499    HA   GLU  76           HA       GLU  76  -9.228   3.866  -9.924
  500   1HB   GLU  76          2HB       GLU  76  -9.171   5.707 -12.108
  501   1HG   GLU  76          2HG       GLU  76  -7.626   3.150 -11.774
  502    H    LEU  77           H        LEU  77  -7.456   3.634  -8.777
  503    HA   LEU  77           HA       LEU  77  -5.532   5.586  -8.295
  504   1HB   LEU  77          2HB       LEU  77  -7.395   6.191  -6.584
  505    HG   LEU  77           HG       LEU  77  -5.021   7.059  -6.422
  506   1HD1  LEU  77          1HD1      LEU  77  -7.025   6.798  -4.304
  507   2HD1  LEU  77          2HD1      LEU  77  -5.409   7.223  -3.735
  508   3HD1  LEU  77          3HD1      LEU  77  -6.216   8.233  -4.936
  509   1HD2  LEU  77          1HD2      LEU  77  -4.703   5.016  -4.242
  510   2HD2  LEU  77          2HD2      LEU  77  -4.096   4.747  -5.877
  511   3HD2  LEU  77          3HD2      LEU  77  -3.487   6.100  -4.922
  512    H    ILE  78           H        ILE  78  -3.999   4.134  -8.857
  513    HA   ILE  78           HA       ILE  78  -4.168   1.454  -7.632
  514    HB   ILE  78           HB       ILE  78  -2.959   2.228 -10.295
  515   1HG1  ILE  78          2HG1      ILE  78  -5.578   0.826  -9.699
  516   1HG2  ILE  78          1HG2      ILE  78  -2.399   0.047 -10.634
  517   2HG2  ILE  78          2HG2      ILE  78  -2.236   0.107  -8.879
  518   3HG2  ILE  78          3HG2      ILE  78  -3.696  -0.563  -9.606
  519   1HD1  ILE  78          1HD1      ILE  78  -5.591   0.146 -11.797
  520   2HD1  ILE  78          2HD1      ILE  78  -5.500   1.827 -12.324
  521   3HD1  ILE  78          3HD1      ILE  78  -4.021   0.898 -12.079
  522    H    ALA  79           H        ALA  79  -2.491   0.656  -6.538
  523    HA   ALA  79           HA       ALA  79   0.061   2.135  -6.598
  524   1HB   ALA  79          1HB       ALA  79  -0.521   0.160  -4.450
  525   2HB   ALA  79          2HB       ALA  79   0.400   1.662  -4.390
  526   3HB   ALA  79          3HB       ALA  79  -1.361   1.708  -4.400
  527    H    VAL  80           H        VAL  80   1.793   1.100  -7.406
  528    HA   VAL  80           HA       VAL  80   1.817  -1.830  -7.587
  529    HB   VAL  80           HB       VAL  80   2.432  -0.027  -9.948
  530   1HG1  VAL  80          1HG1      VAL  80   3.128  -2.770  -9.331
  531   2HG1  VAL  80          2HG1      VAL  80   2.218  -2.642 -10.835
  532   3HG1  VAL  80          3HG1      VAL  80   3.707  -1.721 -10.624
  533   1HG2  VAL  80          1HG2      VAL  80  -0.059  -0.830  -9.114
  534   2HG2  VAL  80          2HG2      VAL  80   0.372  -0.342 -10.753
  535   3HG2  VAL  80          3HG2      VAL  80   0.369  -2.050 -10.314
  536    H    ARG  81           H        ARG  81   3.789  -2.633  -6.998
  537    HA   ARG  81           HA       ARG  81   6.224  -1.228  -7.557
  538   1HB   ARG  81          2HB       ARG  81   5.222   0.032  -5.574
  539   1HG   ARG  81          2HG       ARG  81   7.357   0.121  -4.340
  540   1HD   ARG  81          2HD       ARG  81   7.237   0.238  -7.315
  541    HE   ARG  81           HE       ARG  81   9.715   0.123  -5.880
  542   1HH1  ARG  81          2HH1      ARG  81   8.068   1.463  -8.662
  543   2HH1  ARG  81          1HH1      ARG  81   9.543   1.932  -9.465
  544   1HH2  ARG  81          2HH2      ARG  81  11.649   0.728  -6.929
  545   2HH2  ARG  81          1HH2      ARG  81  11.571   1.568  -8.453
  546    H    GLU  82           H        GLU  82   8.075  -2.416  -7.080
  547    HA   GLU  82           HA       GLU  82   7.611  -5.150  -6.098
  548   1HB   GLU  82          2HB       GLU  82   9.657  -5.796  -7.269
  549   1HG   GLU  82          2HG       GLU  82   9.769  -2.940  -8.217
  550    H    ILE  83           H        ILE  83   9.527  -6.022  -4.852
  551    HA   ILE  83           HA       ILE  83  10.495  -3.935  -2.996
  552    HB   ILE  83           HB       ILE  83  10.701  -6.930  -2.616
  553   1HG1  ILE  83          2HG1      ILE  83   8.347  -6.512  -2.876
  554   1HG2  ILE  83          1HG2      ILE  83  11.004  -4.540  -0.846
  555   2HG2  ILE  83          2HG2      ILE  83  10.642  -6.130  -0.174
  556   3HG2  ILE  83          3HG2      ILE  83  12.117  -5.881  -1.108
  557   1HD1  ILE  83          1HD1      ILE  83   7.117  -4.931  -1.499
  558   2HD1  ILE  83          2HD1      ILE  83   8.637  -4.300  -0.865
  559   3HD1  ILE  83          3HD1      ILE  83   8.251  -4.114  -2.579
  560    H    SER  84           H        SER  84  12.607  -3.332  -3.206
  561    HA   SER  84           HA       SER  84  14.445  -5.156  -4.604
  562   1HB   SER  84          2HB       SER  84  15.820  -2.955  -4.805
  563    HG   SER  84           HG       SER  84  14.802  -1.468  -3.641
  564    H    GLY  85           H        GLY  85  15.958  -6.145  -3.409
  565   1HA   GLY  85          1HA       GLY  85  17.261  -6.711  -1.592
  566   2HA   GLY  85          2HA       GLY  85  17.468  -4.981  -1.333
  567    H    ASN  86           H        ASN  86  16.870  -4.364   0.613
  568    HA   ASN  86           HA       ASN  86  14.244  -5.287   1.485
  569   1HB   ASN  86          2HB       ASN  86  14.853  -5.184   3.858
  570   1HD2  ASN  86          1HD2      ASN  86  16.011  -4.303   5.390
  571   2HD2  ASN  86          2HD2      ASN  86  17.657  -3.776   5.265
  572    H    GLU  87           H        GLU  87  13.262  -3.588   0.698
  573    HA   GLU  87           HA       GLU  87  13.206  -1.190   2.182
  574   1HB   GLU  87          2HB       GLU  87  14.012   0.409   0.636
  575   1HG   GLU  87          2HG       GLU  87  14.276  -1.791  -1.395
  576    H    LEU  88           H        LEU  88  11.519   0.324   1.105
  577    HA   LEU  88           HA       LEU  88   9.857  -1.167  -0.762
  578   1HB   LEU  88          2HB       LEU  88   8.926  -1.700   1.425
  579    HG   LEU  88           HG       LEU  88   7.246   0.203  -0.192
  580   1HD1  LEU  88          1HD1      LEU  88   8.096  -2.194  -0.921
  581   2HD1  LEU  88          2HD1      LEU  88   6.677  -2.680   0.007
  582   3HD1  LEU  88          3HD1      LEU  88   6.503  -1.569  -1.353
  583   1HD2  LEU  88          1HD2      LEU  88   6.677  -1.168   2.371
  584   2HD2  LEU  88          2HD2      LEU  88   6.040   0.345   1.731
  585   3HD2  LEU  88          3HD2      LEU  88   5.411  -1.195   1.145
  586    H    ILE  89           H        ILE  89   9.166   0.042  -2.332
  587    HA   ILE  89           HA       ILE  89   9.101   2.962  -2.004
  588    HB   ILE  89           HB       ILE  89   9.122   1.418  -4.602
  589   1HG1  ILE  89          2HG1      ILE  89  11.239   1.061  -3.421
  590   1HG2  ILE  89          1HG2      ILE  89   9.552   3.524  -5.667
  591   2HG2  ILE  89          2HG2      ILE  89   8.122   3.689  -4.646
  592   3HG2  ILE  89          3HG2      ILE  89   9.674   4.339  -4.106
  593   1HD1  ILE  89          1HD1      ILE  89  11.128   3.982  -3.016
  594   2HD1  ILE  89          2HD1      ILE  89  11.791   2.711  -1.989
  595   3HD1  ILE  89          3HD1      ILE  89  12.699   3.272  -3.392
  596    H    GLN  90           H        GLN  90   7.143   3.996  -2.724
  597    HA   GLN  90           HA       GLN  90   4.897   2.128  -3.105
  598   1HB   GLN  90          2HB       GLN  90   5.091   2.969  -0.754
  599   1HG   GLN  90          2HG       GLN  90   2.798   3.686  -0.447
  600   1HE2  GLN  90          1HE2      GLN  90   2.259   1.743   0.301
  601   2HE2  GLN  90          2HE2      GLN  90   1.980   0.343  -0.685
  602    H    THR  91           H        THR  91   4.063   2.501  -5.030
  603    HA   THR  91           HA       THR  91   4.195   5.208  -6.148
  604    HB   THR  91           HB       THR  91   3.355   2.870  -7.796
  605    HG1  THR  91           1HG      THR  91   5.179   1.867  -7.435
  606   1HG2  THR  91          1HG2      THR  91   5.057   5.316  -8.271
  607   2HG2  THR  91          2HG2      THR  91   3.412   5.040  -8.839
  608   3HG2  THR  91          3HG2      THR  91   4.738   4.072  -9.482
  609    H    TYR  92           H        TYR  92   2.429   6.368  -6.370
  610    HA   TYR  92           HA       TYR  92  -0.183   5.035  -6.297
  611   1HB   TYR  92          2HB       TYR  92   0.540   7.912  -5.689
  612    HD1  TYR  92           1HD      TYR  92   2.062   6.643  -3.949
  613    HD2  TYR  92           2HD      TYR  92  -2.190   6.621  -3.895
  614    HE1  TYR  92           1HE      TYR  92   2.104   6.024  -1.571
  615    HE2  TYR  92           2HE      TYR  92  -2.164   5.998  -1.516
  616    HH   TYR  92           HH       TYR  92   0.160   4.678   0.018
  617    H    THR  93           H        THR  93  -0.734   4.595  -8.307
  618    HA   THR  93           HA       THR  93  -0.075   6.497 -10.445
  619    HB   THR  93           HB       THR  93  -1.119   3.683 -10.789
  620    HG1  THR  93           1HG      THR  93   0.992   4.084  -9.516
  621   1HG2  THR  93          1HG2      THR  93  -1.182   5.091 -12.782
  622   2HG2  THR  93          2HG2      THR  93   0.051   3.843 -12.954
  623   3HG2  THR  93          3HG2      THR  93   0.520   5.498 -12.568
  624    H    TYR  94           H        TYR  94  -1.649   7.547 -11.552
  625    HA   TYR  94           HA       TYR  94  -4.414   6.651 -11.305
  626   1HB   TYR  94          2HB       TYR  94  -4.164   8.192  -9.439
  627    HD1  TYR  94           1HD      TYR  94  -6.507   7.217 -10.657
  628    HD2  TYR  94           2HD      TYR  94  -4.941  11.175 -10.800
  629    HE1  TYR  94           1HE      TYR  94  -8.756   8.092 -11.116
  630    HE2  TYR  94           2HE      TYR  94  -7.192  12.058 -11.250
  631    HH   TYR  94           HH       TYR  94  -9.921   9.893 -11.821
  632    H    GLU  95           H        GLU  95  -5.306   6.649 -13.200
  633    HA   GLU  95           HA       GLU  95  -5.960   7.162 -15.299
  634   1HB   GLU  95          2HB       GLU  95  -6.186   9.477 -14.326
  635   1HG   GLU  95          2HG       GLU  95  -6.346  10.657 -16.435
  636    H    GLY  96           H        GLY  96  -2.746   8.659 -14.920
  637   1HA   GLY  96          1HA       GLY  96  -1.424   6.706 -16.482
  638   2HA   GLY  96          2HA       GLY  96  -1.771   8.119 -17.471
  639    H    VAL  97           H        VAL  97  -1.123   8.279 -14.043
  640    HA   VAL  97           HA       VAL  97   1.567   9.336 -14.584
  641    HB   VAL  97           HB       VAL  97  -0.307  10.533 -12.539
  642   1HG1  VAL  97          1HG1      VAL  97   2.301  11.573 -13.626
  643   2HG1  VAL  97          2HG1      VAL  97   1.332  12.277 -12.332
  644   3HG1  VAL  97          3HG1      VAL  97   2.118  10.717 -12.095
  645   1HG2  VAL  97          1HG2      VAL  97  -0.844  10.858 -15.090
  646   2HG2  VAL  97          2HG2      VAL  97  -0.933  12.217 -13.968
  647   3HG2  VAL  97          3HG2      VAL  97   0.483  12.017 -14.999
  648    H    GLU  98           H        GLU  98   3.087   8.467 -13.290
  649    HA   GLU  98           HA       GLU  98   2.144   7.054 -10.887
  650   1HB   GLU  98          2HB       GLU  98   4.234   5.676 -11.091
  651   1HG   GLU  98          2HG       GLU  98   4.433   6.128 -13.964
  652    H    ALA  99           H        ALA  99   2.804   7.798  -9.007
  653    HA   ALA  99           HA       ALA  99   5.326   9.298  -8.862
  654   1HB   ALA  99          1HB       ALA  99   4.354  11.153  -8.094
  655   2HB   ALA  99          2HB       ALA  99   2.793  10.444  -8.510
  656   3HB   ALA  99          3HB       ALA  99   3.451  10.239  -6.887
  657    H    LYS 100           H        LYS 100   6.647   8.444  -7.379
  658    HA   LYS 100           HA       LYS 100   5.456   6.686  -5.344
  659   1HB   LYS 100          2HB       LYS 100   7.516   5.218  -5.750
  660   1HG   LYS 100          2HG       LYS 100   7.518   6.756  -8.335
  661   1HD   LYS 100          2HD       LYS 100   9.119   4.318  -7.583
  662   1HE   LYS 100          2HE       LYS 100  10.180   5.870  -9.181
  663   1HZ   LYS 100          1HZ       LYS 100   7.786   5.303 -10.856
  664   2HZ   LYS 100          2HZ       LYS 100   9.198   6.072 -11.393
  665   3HZ   LYS 100          3HZ       LYS 100   8.229   6.811 -10.218
  666    H    ARG 101           H        ARG 101   6.298   6.683  -3.366
  667    HA   ARG 101           HA       ARG 101   8.502   8.562  -2.846
  668   1HB   ARG 101          2HB       ARG 101   6.188   8.851  -1.742
  669   1HG   ARG 101          2HG       ARG 101   8.690   8.722  -0.081
  670   1HD   ARG 101          2HD       ARG 101   5.996   9.897   0.579
  671    HE   ARG 101           HE       ARG 101   7.117  11.287   1.962
  672   1HH1  ARG 101          2HH1      ARG 101   9.170   8.460   1.512
  673   2HH1  ARG 101          1HH1      ARG 101  10.407   9.044   2.581
  674   1HH2  ARG 101          2HH2      ARG 101   8.708  11.991   3.414
  675   2HH2  ARG 101          1HH2      ARG 101  10.126  11.021   3.693
  676    H    ILE 102           H        ILE 102  10.126   7.928  -1.303
  677    HA   ILE 102           HA       ILE 102  10.681   5.073  -1.549
  678    HB   ILE 102           HB       ILE 102  12.359   6.534  -2.464
  679   1HG1  ILE 102          2HG1      ILE 102  13.389   5.373   0.133
  680   1HG2  ILE 102          1HG2      ILE 102  12.275   7.845   0.226
  681   2HG2  ILE 102          2HG2      ILE 102  13.694   7.979  -0.812
  682   3HG2  ILE 102          3HG2      ILE 102  12.131   8.573  -1.374
  683   1HD1  ILE 102          1HD1      ILE 102  14.728   6.148  -2.417
  684   2HD1  ILE 102          2HD1      ILE 102  15.223   6.447  -0.751
  685   3HD1  ILE 102          3HD1      ILE 102  15.361   4.828  -1.434
  686    H    PHE 103           H        PHE 103  11.013   3.722   0.080
  687    HA   PHE 103           HA       PHE 103  11.299   4.646   2.828
  688   1HB   PHE 103          2HB       PHE 103   9.209   2.575   2.097
  689    HD1  PHE 103           1HD      PHE 103   8.961   5.602   4.190
  690    HD2  PHE 103           2HD      PHE 103   7.715   3.626   0.634
  691    HE1  PHE 103           1HE      PHE 103   7.209   7.298   3.865
  692    HE2  PHE 103           2HE      PHE 103   5.964   5.320   0.300
  693    HZ   PHE 103           HZ       PHE 103   5.710   7.160   1.916
  694    H    LYS 104           H        LYS 104  11.795   2.644   4.247
  695    HA   LYS 104           HA       LYS 104  13.027   0.508   2.692
  696   1HB   LYS 104          2HB       LYS 104  15.122   0.741   4.150
  697   1HG   LYS 104          2HG       LYS 104  15.743   3.030   4.773
  698   1HD   LYS 104          2HD       LYS 104  13.221   2.297   6.239
  699   1HE   LYS 104          2HE       LYS 104  15.848   3.461   7.161
  700   1HZ   LYS 104          1HZ       LYS 104  14.635   3.791   9.251
  701   2HZ   LYS 104          2HZ       LYS 104  14.811   2.148   8.877
  702   3HZ   LYS 104          3HZ       LYS 104  13.320   2.921   8.628
  703    H    LYS 105           H        LYS 105  13.810  -1.306   4.090
  704    HA   LYS 105           HA       LYS 105  11.824  -1.998   6.028
  705   1HB   LYS 105          2HB       LYS 105  12.836  -3.755   4.690
  706   1HG   LYS 105          2HG       LYS 105  13.568  -5.363   6.334
  707   1HD   LYS 105          2HD       LYS 105  11.465  -3.518   7.456
  708   1HE   LYS 105          2HE       LYS 105  10.637  -5.342   8.732
  709   1HZ   LYS 105          1HZ       LYS 105  12.923  -4.184   9.404
  710   2HZ   LYS 105          2HZ       LYS 105  13.469  -5.784   9.288
  711   3HZ   LYS 105          3HZ       LYS 105  12.201  -5.397  10.345
  712    H    GLU 106           H        GLU 106  11.864  -1.724   8.174
  713    HA   GLU 106           HA       GLU 106  13.691   0.062   9.347
  714   1HB   GLU 106          2HB       GLU 106  11.272  -0.555  10.028
  715   1HG   GLU 106          2HG       GLU 106  11.686  -0.095  12.434
  Start of MODEL    8
    1   1H    ALA   1          1H        ALA   1   7.740 -12.910   4.311
    2   2H    ALA   1          2H        ALA   1   7.615 -13.759   2.850
    3   3H    ALA   1          3H        ALA   1   6.242 -13.541   3.823
    4    HA   ALA   1           HA       ALA   1   7.316 -11.862   1.817
    5   1HB   ALA   1          1HB       ALA   1   5.153 -11.361   1.531
    6   2HB   ALA   1          2HB       ALA   1   4.848 -12.638   2.705
    7   3HB   ALA   1          3HB       ALA   1   4.922 -10.956   3.232
    8    H    PHE   2           H        PHE   2   5.562  -9.821   3.745
    9    HA   PHE   2           HA       PHE   2   7.861  -8.211   4.360
   10   1HB   PHE   2          2HB       PHE   2   4.913  -7.916   4.833
   11    HD1  PHE   2           1HD      PHE   2   7.009  -5.036   4.568
   12    HD2  PHE   2           2HD      PHE   2   4.879  -7.956   2.323
   13    HE1  PHE   2           1HE      PHE   2   7.048  -3.551   2.611
   14    HE2  PHE   2           2HE      PHE   2   4.918  -6.479   0.357
   15    HZ   PHE   2           HZ       PHE   2   6.000  -4.273   0.502
   16    H    ASP   3           H        ASP   3   5.220  -9.081   6.561
   17    HA   ASP   3           HA       ASP   3   5.225  -9.317   8.825
   18   1HB   ASP   3          2HB       ASP   3   6.606 -11.386   9.555
   19    H    GLY   4           H        GLY   4   6.654  -7.224   8.250
   20   1HA   GLY   4          1HA       GLY   4   8.566  -6.992  10.386
   21   2HA   GLY   4          2HA       GLY   4   9.278  -6.960   8.774
   22    H    THR   5           H        THR   5   9.575  -4.761  10.338
   23    HA   THR   5           HA       THR   5   7.486  -2.880   9.506
   24    HB   THR   5           HB       THR   5   8.636  -1.303  11.063
   25    HG1  THR   5           1HG      THR   5  10.178  -2.422  12.536
   26   1HG2  THR   5          1HG2      THR   5   8.105  -3.892  12.489
   27   2HG2  THR   5          2HG2      THR   5   6.808  -2.967  11.730
   28   3HG2  THR   5          3HG2      THR   5   7.765  -2.247  13.025
   29    H    TRP   6           H        TRP   6   7.815  -1.437   7.923
   30    HA   TRP   6           HA       TRP   6  10.567  -0.926   6.985
   31   1HB   TRP   6          2HB       TRP   6   8.220  -1.708   5.228
   32    HD1  TRP   6           HD       TRP   6   8.817  -4.054   6.965
   33    HE1  TRP   6           1HE      TRP   6  10.190  -6.099   6.214
   34    HE3  TRP   6           3HE      TRP   6  11.341  -1.939   3.052
   35    HZ2  TRP   6           2HZ      TRP   6  12.070  -6.729   4.217
   36    HZ3  TRP   6           3HZ      TRP   6  12.907  -3.340   1.750
   37    HH2  TRP   6           HH       TRP   6  13.256  -5.689   2.338
   38    H    LYS   7           H        LYS   7  10.713   1.221   7.480
   39    HA   LYS   7           HA       LYS   7   9.173   3.072   5.986
   40   1HB   LYS   7          2HB       LYS   7   7.699   2.348   8.012
   41   1HG   LYS   7          2HG       LYS   7   6.862   4.661   8.361
   42   1HD   LYS   7          2HD       LYS   7   7.399   4.048   5.459
   43   1HE   LYS   7          2HE       LYS   7   5.250   5.543   6.948
   44   1HZ   LYS   7          1HZ       LYS   7   5.002   4.073   4.525
   45   2HZ   LYS   7          2HZ       LYS   7   4.710   5.722   4.276
   46   3HZ   LYS   7          3HZ       LYS   7   3.811   4.868   5.434
   47    H    VAL   8           H        VAL   8   9.683   5.358   6.622
   48    HA   VAL   8           HA       VAL   8  12.540   5.544   7.263
   49    HB   VAL   8           HB       VAL   8  10.782   7.684   6.040
   50   1HG1  VAL   8          1HG1      VAL   8  13.713   7.412   5.559
   51   2HG1  VAL   8          2HG1      VAL   8  12.698   8.854   5.553
   52   3HG1  VAL   8          3HG1      VAL   8  13.150   8.100   7.083
   53   1HG2  VAL   8          1HG2      VAL   8  11.374   6.979   3.868
   54   2HG2  VAL   8          2HG2      VAL   8  12.557   5.824   4.479
   55   3HG2  VAL   8          3HG2      VAL   8  10.834   5.528   4.712
   56    H    GLY   9           H        GLY   9  13.261   7.296   8.649
   57   1HA   GLY   9          1HA       GLY   9  12.122   7.376  11.117
   58   2HA   GLY   9          2HA       GLY   9  13.183   8.637  10.513
   59    H    GLY  10           H        GLY  10  10.693   8.536  12.255
   60   1HA   GLY  10          1HA       GLY  10   9.224  10.369  12.664
   61   2HA   GLY  10          2HA       GLY  10   9.306  10.774  10.952
   62    H    LEU  11           H        LEU  11   8.910   8.108  10.003
   63    HA   LEU  11           HA       LEU  11   6.061   7.762  10.680
   64   1HB   LEU  11          2HB       LEU  11   7.352   6.805   8.140
   65    HG   LEU  11           HG       LEU  11   7.756   9.205   8.074
   66   1HD1  LEU  11          1HD1      LEU  11   7.320   8.628   5.936
   67   2HD1  LEU  11          2HD1      LEU  11   5.755   7.916   6.331
   68   3HD1  LEU  11          3HD1      LEU  11   5.917   9.666   6.191
   69   1HD2  LEU  11          1HD2      LEU  11   5.947   9.767   9.741
   70   2HD2  LEU  11          2HD2      LEU  11   6.062  10.842   8.345
   71   3HD2  LEU  11          3HD2      LEU  11   4.794   9.616   8.416
   72    H    LYS  12           H        LYS  12   5.300   5.473  10.362
   73    HA   LYS  12           HA       LYS  12   7.363   3.452  10.662
   74   1HB   LYS  12          2HB       LYS  12   6.182   2.383  12.585
   75   1HG   LYS  12          2HG       LYS  12   4.056   3.848  12.248
   76   1HD   LYS  12          2HD       LYS  12   5.220   6.008  12.544
   77   1HE   LYS  12          2HE       LYS  12   6.832   5.204  14.272
   78   1HZ   LYS  12          1HZ       LYS  12   5.512   4.014  15.783
   79   2HZ   LYS  12          2HZ       LYS  12   4.405   5.285  15.965
   80   3HZ   LYS  12          3HZ       LYS  12   5.965   5.425  16.610
   81    H    LEU  13           H        LEU  13   6.685   1.375  10.083
   82    HA   LEU  13           HA       LEU  13   3.979   1.047   9.032
   83   1HB   LEU  13          2HB       LEU  13   5.607   2.173   7.334
   84    HG   LEU  13           HG       LEU  13   3.406   1.156   6.629
   85   1HD1  LEU  13          1HD1      LEU  13   3.900   1.338   4.346
   86   2HD1  LEU  13          2HD1      LEU  13   5.102   2.354   5.145
   87   3HD1  LEU  13          3HD1      LEU  13   5.550   0.748   4.565
   88   1HD2  LEU  13          1HD2      LEU  13   3.201  -1.050   6.437
   89   2HD2  LEU  13          2HD2      LEU  13   4.471  -1.066   5.211
   90   3HD2  LEU  13          3HD2      LEU  13   4.887  -1.252   6.916
   91    H    THR  14           H        THR  14   3.323  -0.981   9.210
   92    HA   THR  14           HA       THR  14   5.260  -3.150   9.447
   93    HB   THR  14           HB       THR  14   3.009  -2.777  11.423
   94    HG1  THR  14           1HG      THR  14   5.302  -1.467  11.372
   95   1HG2  THR  14          1HG2      THR  14   5.068  -4.851  10.943
   96   2HG2  THR  14          2HG2      THR  14   3.425  -5.010  11.565
   97   3HG2  THR  14          3HG2      THR  14   4.718  -4.448  12.624
   98    H    ILE  15           H        ILE  15   4.550  -4.997   8.533
   99    HA   ILE  15           HA       ILE  15   1.703  -5.275   7.865
  100    HB   ILE  15           HB       ILE  15   3.939  -5.984   5.948
  101   1HG1  ILE  15          2HG1      ILE  15   1.989  -3.671   5.823
  102   1HG2  ILE  15          1HG2      ILE  15   1.280  -5.702   4.842
  103   2HG2  ILE  15          2HG2      ILE  15   2.414  -7.046   4.716
  104   3HG2  ILE  15          3HG2      ILE  15   1.337  -6.928   6.108
  105   1HD1  ILE  15          1HD1      ILE  15   4.216  -4.412   3.941
  106   2HD1  ILE  15          2HD1      ILE  15   2.489  -4.464   3.592
  107   3HD1  ILE  15          3HD1      ILE  15   3.278  -2.918   3.892
  108    H    THR  16           H        THR  16   0.921  -7.358   8.098
  109    HA   THR  16           HA       THR  16   2.856  -9.468   8.754
  110    HB   THR  16           HB       THR  16   0.328  -8.990  10.340
  111    HG1  THR  16           1HG      THR  16   2.816  -7.828  10.509
  112   1HG2  THR  16          1HG2      THR  16   2.493 -10.464  11.595
  113   2HG2  THR  16          2HG2      THR  16   1.942 -11.235  10.108
  114   3HG2  THR  16          3HG2      THR  16   0.796 -10.901  11.405
  115    H    GLN  17           H        GLN  17   2.434 -11.363   7.817
  116    HA   GLN  17           HA       GLN  17  -0.178 -12.143   6.792
  117   1HB   GLN  17          2HB       GLN  17   1.682 -12.177   4.563
  118   1HG   GLN  17          2HG       GLN  17   1.479  -9.788   3.974
  119   1HE2  GLN  17          1HE2      GLN  17   3.283 -12.007   5.154
  120   2HE2  GLN  17          2HE2      GLN  17   4.696 -11.146   5.659
  121    H    GLU  18           H        GLU  18   0.147 -14.205   5.445
  122    HA   GLU  18           HA       GLU  18   2.562 -15.700   5.580
  123   1HB   GLU  18          2HB       GLU  18   1.479 -17.531   7.027
  124   1HG   GLU  18          2HG       GLU  18  -0.202 -15.196   7.924
  125    H    GLY  19           H        GLY  19   1.382 -15.203   3.321
  126   1HA   GLY  19          1HA       GLY  19   0.238 -16.089   1.471
  127   2HA   GLY  19          2HA       GLY  19  -0.057 -17.569   2.396
  128    H    ASN  20           H        ASN  20  -0.730 -14.177   2.503
  129    HA   ASN  20           HA       ASN  20  -3.190 -14.731   3.922
  130   1HB   ASN  20          2HB       ASN  20  -0.774 -14.317   5.072
  131   1HD2  ASN  20          1HD2      ASN  20  -3.945 -14.970   5.134
  132   2HD2  ASN  20          2HD2      ASN  20  -4.219 -15.020   6.849
  133    H    LYS  21           H        LYS  21  -3.500 -12.556   5.203
  134    HA   LYS  21           HA       LYS  21  -4.513 -10.667   3.241
  135   1HB   LYS  21          2HB       LYS  21  -6.081 -11.794   4.858
  136   1HG   LYS  21          2HG       LYS  21  -5.871  -8.937   5.721
  137   1HD   LYS  21          2HD       LYS  21  -8.291  -9.062   5.695
  138   1HE   LYS  21          2HE       LYS  21  -7.041 -11.424   7.086
  139   1HZ   LYS  21          1HZ       LYS  21  -9.632 -10.072   7.614
  140   2HZ   LYS  21          2HZ       LYS  21  -8.943 -11.299   8.564
  141   3HZ   LYS  21          3HZ       LYS  21  -9.443 -11.635   6.978
  142    H    PHE  22           H        PHE  22  -3.397  -8.862   3.121
  143    HA   PHE  22           HA       PHE  22  -1.215  -8.559   5.010
  144   1HB   PHE  22          2HB       PHE  22  -1.659  -7.436   2.229
  145    HD1  PHE  22           1HD      PHE  22   1.410  -7.927   1.778
  146    HD2  PHE  22           2HD      PHE  22  -1.837 -10.382   3.003
  147    HE1  PHE  22           1HE      PHE  22   2.576  -9.910   0.901
  148    HE2  PHE  22           2HE      PHE  22  -0.696 -12.374   2.142
  149    HZ   PHE  22           HZ       PHE  22   1.529 -12.135   1.078
  150    H    THR  23           H        THR  23  -1.376  -7.133   6.526
  151    HA   THR  23           HA       THR  23  -3.157  -4.842   6.146
  152    HB   THR  23           HB       THR  23  -2.622  -6.651   8.401
  153    HG1  THR  23           1HG      THR  23  -4.687  -5.254   7.250
  154   1HG2  THR  23          1HG2      THR  23  -3.025  -3.721   9.041
  155   2HG2  THR  23          2HG2      THR  23  -1.474  -4.553   9.191
  156   3HG2  THR  23          3HG2      THR  23  -2.846  -5.055  10.181
  157    H    VAL  24           H        VAL  24  -2.285  -2.925   5.974
  158    HA   VAL  24           HA       VAL  24   0.585  -2.656   6.497
  159    HB   VAL  24           HB       VAL  24  -1.246  -0.932   4.812
  160   1HG1  VAL  24          1HG1      VAL  24   0.888   0.065   5.921
  161   2HG1  VAL  24          2HG1      VAL  24   1.734  -0.853   4.677
  162   3HG1  VAL  24          3HG1      VAL  24   0.557   0.376   4.218
  163   1HG2  VAL  24          1HG2      VAL  24  -0.480  -2.016   2.917
  164   2HG2  VAL  24          2HG2      VAL  24   0.943  -2.662   3.736
  165   3HG2  VAL  24          3HG2      VAL  24  -0.651  -3.343   4.067
  166    H    LYS  25           H        LYS  25   1.336  -1.256   7.955
  167    HA   LYS  25           HA       LYS  25  -0.620   0.298   9.488
  168   1HB   LYS  25          2HB       LYS  25   0.653  -1.179  10.873
  169   1HG   LYS  25          2HG       LYS  25   1.817   1.586  11.048
  170   1HD   LYS  25          2HD       LYS  25   1.937  -0.618  13.098
  171   1HE   LYS  25          2HE       LYS  25   3.076   2.165  12.982
  172   1HZ   LYS  25          1HZ       LYS  25   3.720  -0.114  14.744
  173   2HZ   LYS  25          2HZ       LYS  25   3.846   1.483  15.306
  174   3HZ   LYS  25          3HZ       LYS  25   4.773   0.972  13.980
  175    H    GLU  26           H        GLU  26  -0.827   2.256   8.588
  176    HA   GLU  26           HA       GLU  26   1.597   3.626   7.660
  177   1HB   GLU  26          2HB       GLU  26  -0.261   3.322   6.030
  178   1HG   GLU  26          2HG       GLU  26  -0.437   5.583   5.210
  179    H    SER  27           H        SER  27   2.208   5.526   8.515
  180    HA   SER  27           HA       SER  27   0.514   6.936  10.406
  181   1HB   SER  27          2HB       SER  27   3.231   5.897  11.249
  182    HG   SER  27           HG       SER  27   0.900   4.629  11.225
  183    H    SER  28           H        SER  28   0.931   9.084  10.360
  184    HA   SER  28           HA       SER  28   3.501  10.055   9.435
  185   1HB   SER  28          2HB       SER  28   0.965  10.635   7.885
  186    HG   SER  28           HG       SER  28   2.806   8.702   7.642
  187    H    ASN  29           H        ASN  29   3.985  11.474  10.887
  188    HA   ASN  29           HA       ASN  29   4.030  13.332  12.150
  189   1HB   ASN  29          2HB       ASN  29   1.679  14.115  10.425
  190   1HD2  ASN  29          1HD2      ASN  29   2.265  14.563   8.438
  191   2HD2  ASN  29          2HD2      ASN  29   3.868  14.964   7.909
  192    H    PHE  30           H        PHE  30   0.525  12.679  11.795
  193    HA   PHE  30           HA       PHE  30   0.272  12.167  14.619
  194   1HB   PHE  30          2HB       PHE  30  -1.442  14.076  14.859
  195    HD1  PHE  30           1HD      PHE  30  -2.034  13.876  12.026
  196    HD2  PHE  30           2HD      PHE  30   0.490  16.616  14.082
  197    HE1  PHE  30           1HE      PHE  30  -2.373  15.524  10.235
  198    HE2  PHE  30           2HE      PHE  30   0.157  18.267  12.291
  199    HZ   PHE  30           HZ       PHE  30  -1.273  17.722  10.364
  200    H    ARG  31           H        ARG  31  -0.307  10.506  12.564
  201    HA   ARG  31           HA       ARG  31  -3.090  10.008  13.002
  202   1HB   ARG  31          2HB       ARG  31  -3.848  10.112  10.711
  203   1HG   ARG  31          2HG       ARG  31  -1.009  10.771  10.068
  204   1HD   ARG  31          2HD       ARG  31  -2.205  12.638   9.148
  205    HE   ARG  31           HE       ARG  31  -4.400  12.309   8.654
  206   1HH1  ARG  31          2HH1      ARG  31  -2.560   9.719   7.148
  207   2HH1  ARG  31          1HH1      ARG  31  -3.963   9.013   6.397
  208   1HH2  ARG  31          2HH2      ARG  31  -6.229  11.326   7.721
  209   2HH2  ARG  31          1HH2      ARG  31  -6.032   9.899   6.747
  210    H    ASN  32           H        ASN  32  -3.514   7.889  12.863
  211    HA   ASN  32           HA       ASN  32  -1.473   6.162  11.621
  212   1HB   ASN  32          2HB       ASN  32  -2.861   5.829  14.288
  213   1HD2  ASN  32          1HD2      ASN  32  -0.037   4.230  14.244
  214   2HD2  ASN  32          2HD2      ASN  32   1.022   5.459  14.861
  215    H    ILE  33           H        ILE  33  -2.232   4.697  10.249
  216    HA   ILE  33           HA       ILE  33  -5.061   3.938  10.311
  217    HB   ILE  33           HB       ILE  33  -5.182   5.827   8.901
  218   1HG1  ILE  33          2HG1      ILE  33  -4.872   3.394   7.126
  219   1HG2  ILE  33          1HG2      ILE  33  -3.549   6.654   7.608
  220   2HG2  ILE  33          2HG2      ILE  33  -2.517   5.544   8.510
  221   3HG2  ILE  33          3HG2      ILE  33  -3.144   5.076   6.930
  222   1HD1  ILE  33          1HD1      ILE  33  -6.081   4.403   5.461
  223   2HD1  ILE  33          2HD1      ILE  33  -6.740   5.635   6.538
  224   3HD1  ILE  33          3HD1      ILE  33  -5.060   5.731   6.014
  225    H    ASP  34           H        ASP  34  -5.427   1.889   9.632
  226    HA   ASP  34           HA       ASP  34  -3.131   0.425   8.523
  227   1HB   ASP  34          2HB       ASP  34  -4.233  -1.636   9.353
  228    H    VAL  35           H        VAL  35  -3.307  -0.688   6.680
  229    HA   VAL  35           HA       VAL  35  -5.883  -0.523   5.249
  230    HB   VAL  35           HB       VAL  35  -3.151  -0.817   3.983
  231   1HG1  VAL  35          1HG1      VAL  35  -5.223  -1.618   2.764
  232   2HG1  VAL  35          2HG1      VAL  35  -5.717   0.073   2.693
  233   3HG1  VAL  35          3HG1      VAL  35  -4.222  -0.440   1.914
  234   1HG2  VAL  35          1HG2      VAL  35  -4.767   1.717   4.042
  235   2HG2  VAL  35          2HG2      VAL  35  -3.499   1.369   5.216
  236   3HG2  VAL  35          3HG2      VAL  35  -3.105   1.491   3.501
  237    H    VAL  36           H        VAL  36  -6.851  -2.459   5.424
  238    HA   VAL  36           HA       VAL  36  -5.150  -4.845   5.374
  239    HB   VAL  36           HB       VAL  36  -6.449  -4.730   7.374
  240   1HG1  VAL  36          1HG1      VAL  36  -8.822  -4.334   5.558
  241   2HG1  VAL  36          2HG1      VAL  36  -8.962  -4.772   7.262
  242   3HG1  VAL  36          3HG1      VAL  36  -8.211  -3.243   6.804
  243   1HG2  VAL  36          1HG2      VAL  36  -8.160  -6.738   6.704
  244   2HG2  VAL  36          2HG2      VAL  36  -6.980  -6.818   5.396
  245   3HG2  VAL  36          3HG2      VAL  36  -6.446  -6.943   7.072
  246    H    PHE  37           H        PHE  37  -5.273  -6.299   3.807
  247    HA   PHE  37           HA       PHE  37  -7.562  -6.509   2.036
  248   1HB   PHE  37          2HB       PHE  37  -5.970  -6.327   0.021
  249    HD1  PHE  37           1HD      PHE  37  -4.893  -3.606   2.272
  250    HD2  PHE  37           2HD      PHE  37  -3.692  -6.980  -0.024
  251    HE1  PHE  37           1HE      PHE  37  -2.542  -2.946   2.541
  252    HE2  PHE  37           2HE      PHE  37  -1.336  -6.331   0.254
  253    HZ   PHE  37           HZ       PHE  37  -0.758  -4.310   1.535
  254    H    GLU  38           H        GLU  38  -7.687  -8.548   1.103
  255    HA   GLU  38           HA       GLU  38  -5.772 -10.442   2.247
  256   1HB   GLU  38          2HB       GLU  38  -8.285 -10.612   2.604
  257   1HG   GLU  38          2HG       GLU  38  -6.907 -12.983   1.369
  258    H    LEU  39           H        LEU  39  -4.701 -11.950   1.099
  259    HA   LEU  39           HA       LEU  39  -3.620 -11.247  -1.305
  260   1HB   LEU  39          2HB       LEU  39  -3.441 -13.411   0.526
  261    HG   LEU  39           HG       LEU  39  -1.494 -12.124  -0.063
  262   1HD1  LEU  39          1HD1      LEU  39   0.078 -13.902  -0.326
  263   2HD1  LEU  39          2HD1      LEU  39  -1.271 -14.499   0.643
  264   3HD1  LEU  39          3HD1      LEU  39  -1.140 -14.942  -1.061
  265   1HD2  LEU  39          1HD2      LEU  39  -2.369 -12.674  -2.755
  266   2HD2  LEU  39          2HD2      LEU  39  -1.232 -11.463  -2.160
  267   3HD2  LEU  39          3HD2      LEU  39  -0.671 -13.093  -2.529
  268    H    GLY  40           H        GLY  40  -4.566 -10.983  -3.196
  269   1HA   GLY  40          1HA       GLY  40  -5.627 -11.513  -5.159
  270   2HA   GLY  40          2HA       GLY  40  -5.748 -13.167  -4.578
  271    H    VAL  41           H        VAL  41  -7.101 -10.238  -3.077
  272    HA   VAL  41           HA       VAL  41  -9.778 -11.325  -3.685
  273    HB   VAL  41           HB       VAL  41  -8.840 -10.031  -1.118
  274   1HG1  VAL  41          1HG1      VAL  41 -11.633 -10.827  -1.934
  275   2HG1  VAL  41          2HG1      VAL  41 -11.147 -10.352  -0.308
  276   3HG1  VAL  41          3HG1      VAL  41 -11.054  -9.188  -1.630
  277   1HG2  VAL  41          1HG2      VAL  41 -10.138 -12.392  -0.541
  278   2HG2  VAL  41          2HG2      VAL  41  -9.238 -12.766  -2.009
  279   3HG2  VAL  41          3HG2      VAL  41  -8.392 -12.151  -0.589
  280    H    ASP  42           H        ASP  42 -11.312  -9.896  -4.378
  281    HA   ASP  42           HA       ASP  42 -10.426  -7.107  -4.750
  282   1HB   ASP  42          2HB       ASP  42 -11.658  -6.944  -6.723
  283    H    PHE  43           H        PHE  43 -11.586  -5.525  -3.835
  284    HA   PHE  43           HA       PHE  43 -14.215  -5.982  -2.693
  285   1HB   PHE  43          2HB       PHE  43 -13.392  -5.698  -0.363
  286    HD1  PHE  43           1HD      PHE  43 -10.438  -7.362  -1.735
  287    HD2  PHE  43           2HD      PHE  43 -11.921  -3.858   0.170
  288    HE1  PHE  43           1HE      PHE  43  -8.134  -6.656  -1.258
  289    HE2  PHE  43           2HE      PHE  43  -9.620  -3.143   0.655
  290    HZ   PHE  43           HZ       PHE  43  -7.724  -4.540  -0.057
  291    H    ALA  44           H        ALA  44 -14.896  -4.106  -1.351
  292    HA   ALA  44           HA       ALA  44 -13.651  -1.613  -2.313
  293   1HB   ALA  44          1HB       ALA  44 -16.380  -2.416  -2.184
  294   2HB   ALA  44          2HB       ALA  44 -16.136  -1.086  -1.054
  295   3HB   ALA  44          3HB       ALA  44 -15.709  -0.887  -2.753
  296    H    TYR  45           H        TYR  45 -12.719  -0.308  -0.834
  297    HA   TYR  45           HA       TYR  45 -13.303  -0.723   2.008
  298   1HB   TYR  45          2HB       TYR  45 -11.319  -2.149   1.269
  299    HD1  TYR  45           1HD      TYR  45  -8.777  -0.602   2.567
  300    HD2  TYR  45           2HD      TYR  45 -12.760  -1.493   3.772
  301    HE1  TYR  45           1HE      TYR  45  -8.081  -0.516   4.925
  302    HE2  TYR  45           2HE      TYR  45 -12.073  -1.404   6.128
  303    HH   TYR  45           HH       TYR  45  -9.738   0.003   7.314
  304    H    SER  46           H        SER  46 -13.099   1.107   3.240
  305    HA   SER  46           HA       SER  46 -12.425   3.545   1.756
  306   1HB   SER  46          2HB       SER  46 -14.686   3.486   2.745
  307    HG   SER  46           HG       SER  46 -12.969   5.398   2.959
  308    H    LEU  47           H        LEU  47 -10.691   4.658   2.249
  309    HA   LEU  47           HA       LEU  47  -9.209   3.927   4.675
  310   1HB   LEU  47          2HB       LEU  47  -8.278   4.906   1.989
  311    HG   LEU  47           HG       LEU  47  -8.455   2.469   2.187
  312   1HD1  LEU  47          1HD1      LEU  47  -6.761   3.073   0.733
  313   2HD1  LEU  47          2HD1      LEU  47  -5.763   3.755   2.017
  314   3HD1  LEU  47          3HD1      LEU  47  -5.932   2.006   1.867
  315   1HD2  LEU  47          1HD2      LEU  47  -8.085   2.553   4.723
  316   2HD2  LEU  47          2HD2      LEU  47  -7.368   1.211   3.831
  317   3HD2  LEU  47          3HD2      LEU  47  -6.364   2.570   4.335
  318    H    ALA  48           H        ALA  48  -8.635   5.430   6.107
  319    HA   ALA  48           HA       ALA  48  -8.697   7.356   7.299
  320   1HB   ALA  48          1HB       ALA  48  -8.542   9.510   5.768
  321   2HB   ALA  48          2HB       ALA  48  -7.153   8.453   6.027
  322   3HB   ALA  48          3HB       ALA  48  -8.106   8.313   4.549
  323    H    ASP  49           H        ASP  49 -11.143   6.104   6.201
  324    HA   ASP  49           HA       ASP  49 -13.384   6.427   6.035
  325   1HB   ASP  49          2HB       ASP  49 -12.646   8.596   8.004
  326    H    GLY  50           H        GLY  50 -11.923   7.618   3.934
  327   1HA   GLY  50          1HA       GLY  50 -13.841   9.687   3.154
  328   2HA   GLY  50          2HA       GLY  50 -12.137  10.116   3.149
  329    H    THR  51           H        THR  51 -10.845   8.070   2.043
  330    HA   THR  51           HA       THR  51 -11.771   8.104  -0.691
  331    HB   THR  51           HB       THR  51  -9.759   6.862  -1.231
  332    HG1  THR  51           1HG      THR  51  -9.461   5.428   0.393
  333   1HG2  THR  51          1HG2      THR  51  -9.786   9.378   0.029
  334   2HG2  THR  51          2HG2      THR  51  -8.588   8.750  -1.103
  335   3HG2  THR  51          3HG2      THR  51  -8.364   8.528   0.633
  336    H    GLU  52           H        GLU  52 -12.676   6.381  -1.826
  337    HA   GLU  52           HA       GLU  52 -13.152   3.937  -0.247
  338   1HB   GLU  52          2HB       GLU  52 -15.105   5.191  -2.189
  339   1HG   GLU  52          2HG       GLU  52 -15.114   5.205   0.817
  340    H    LEU  53           H        LEU  53 -11.671   2.650  -1.194
  341    HA   LEU  53           HA       LEU  53 -11.515   2.657  -4.120
  342   1HB   LEU  53          2HB       LEU  53  -9.640   1.806  -1.939
  343    HG   LEU  53           HG       LEU  53  -9.182   3.527  -4.390
  344   1HD1  LEU  53          1HD1      LEU  53  -8.987   5.360  -2.916
  345   2HD1  LEU  53          2HD1      LEU  53 -10.451   4.515  -2.414
  346   3HD1  LEU  53          3HD1      LEU  53  -8.961   4.320  -1.493
  347   1HD2  LEU  53          1HD2      LEU  53  -7.065   3.674  -2.520
  348   2HD2  LEU  53          2HD2      LEU  53  -7.376   1.966  -2.829
  349   3HD2  LEU  53          3HD2      LEU  53  -7.027   3.055  -4.171
  350    H    THR  54           H        THR  54 -12.344   1.073  -5.265
  351    HA   THR  54           HA       THR  54 -12.872  -1.532  -3.981
  352    HB   THR  54           HB       THR  54 -13.977  -0.651  -6.647
  353    HG1  THR  54           1HG      THR  54 -14.582   0.532  -4.437
  354   1HG2  THR  54          1HG2      THR  54 -13.992  -3.060  -6.099
  355   2HG2  THR  54          2HG2      THR  54 -15.618  -2.393  -6.250
  356   3HG2  THR  54          3HG2      THR  54 -14.938  -2.705  -4.652
  357    H    GLY  55           H        GLY  55 -11.222  -2.928  -4.399
  358   1HA   GLY  55          1HA       GLY  55 -10.307  -3.293  -7.106
  359   2HA   GLY  55          2HA       GLY  55  -9.141  -2.466  -6.090
  360    H    THR  56           H        THR  56  -8.492  -4.795  -7.277
  361    HA   THR  56           HA       THR  56  -8.524  -6.764  -5.092
  362    HB   THR  56           HB       THR  56  -9.428  -7.542  -7.306
  363    HG1  THR  56           1HG      THR  56  -8.380  -8.967  -5.742
  364   1HG2  THR  56          1HG2      THR  56  -7.464  -8.173  -8.928
  365   2HG2  THR  56          2HG2      THR  56  -6.673  -6.787  -8.173
  366   3HG2  THR  56          3HG2      THR  56  -8.214  -6.576  -9.005
  367    H    TRP  57           H        TRP  57  -6.548  -7.637  -4.389
  368    HA   TRP  57           HA       TRP  57  -4.130  -6.275  -5.385
  369   1HB   TRP  57          2HB       TRP  57  -4.954  -5.355  -3.200
  370    HD1  TRP  57           HD       TRP  57  -2.105  -7.798  -2.317
  371    HE1  TRP  57           1HE      TRP  57   0.059  -6.433  -2.047
  372    HE3  TRP  57           3HE      TRP  57  -3.840  -3.221  -3.789
  373    HZ2  TRP  57           2HZ      TRP  57   0.912  -3.773  -2.395
  374    HZ3  TRP  57           3HZ      TRP  57  -2.287  -1.317  -3.779
  375    HH2  TRP  57           HH       TRP  57   0.042  -1.590  -3.092
  376    H    THR  58           H        THR  58  -2.361  -7.543  -5.707
  377    HA   THR  58           HA       THR  58  -2.386 -10.266  -4.593
  378    HB   THR  58           HB       THR  58  -1.367 -11.108  -6.711
  379    HG1  THR  58           1HG      THR  58  -1.013  -8.677  -7.314
  380   1HG2  THR  58          1HG2      THR  58  -4.105 -10.451  -6.213
  381   2HG2  THR  58          2HG2      THR  58  -3.439 -11.817  -7.104
  382   3HG2  THR  58          3HG2      THR  58  -3.781 -10.303  -7.940
  383    H    MET  59           H        MET  59  -0.532 -10.797  -3.624
  384    HA   MET  59           HA       MET  59   1.877  -9.193  -4.173
  385   1HB   MET  59          2HB       MET  59   1.317  -8.976  -1.862
  386   1HG   MET  59          2HG       MET  59   3.044 -10.239  -0.621
  387   1HE   MET  59          1HE       MET  59   6.514  -9.200  -1.748
  388   2HE   MET  59          2HE       MET  59   5.646  -8.584  -0.343
  389   3HE   MET  59          3HE       MET  59   5.508 -10.286  -0.786
  390    H    GLU  60           H        GLU  60   2.956 -10.282  -5.725
  391    HA   GLU  60           HA       GLU  60   3.047 -13.212  -5.528
  392   1HB   GLU  60          2HB       GLU  60   2.232 -12.153  -7.637
  393   1HG   GLU  60          2HG       GLU  60   3.658 -13.384  -9.230
  394    H    GLY  61           H        GLY  61   4.703 -13.803  -4.265
  395   1HA   GLY  61          1HA       GLY  61   6.883 -14.272  -3.708
  396   2HA   GLY  61          2HA       GLY  61   7.373 -13.492  -5.204
  397    H    ASN  62           H        ASN  62   7.107 -11.055  -5.128
  398    HA   ASN  62           HA       ASN  62   7.530  -9.703  -2.642
  399   1HB   ASN  62          2HB       ASN  62   9.887  -8.998  -3.224
  400   1HD2  ASN  62          1HD2      ASN  62  11.067  -8.641  -4.957
  401   2HD2  ASN  62          2HD2      ASN  62  11.394  -9.785  -6.220
  402    H    LYS  63           H        LYS  63   5.740  -9.401  -4.671
  403    HA   LYS  63           HA       LYS  63   6.420  -6.774  -5.718
  404   1HB   LYS  63          2HB       LYS  63   5.567  -9.130  -7.398
  405   1HG   LYS  63          2HG       LYS  63   7.352  -7.260  -8.641
  406   1HD   LYS  63          2HD       LYS  63   7.745 -10.125  -7.786
  407   1HE   LYS  63          2HE       LYS  63   9.081  -8.533  -9.968
  408   1HZ   LYS  63          1HZ       LYS  63   9.532 -11.296  -8.971
  409   2HZ   LYS  63          2HZ       LYS  63  10.553 -10.488 -10.053
  410   3HZ   LYS  63          3HZ       LYS  63   8.963 -10.859 -10.508
  411    H    LEU  64           H        LEU  64   4.854  -5.440  -5.350
  412    HA   LEU  64           HA       LEU  64   2.256  -6.470  -4.480
  413   1HB   LEU  64          2HB       LEU  64   3.688  -3.844  -4.073
  414    HG   LEU  64           HG       LEU  64   4.385  -5.909  -2.677
  415   1HD1  LEU  64          1HD1      LEU  64   4.688  -4.521  -0.715
  416   2HD1  LEU  64          2HD1      LEU  64   4.931  -3.545  -2.163
  417   3HD1  LEU  64          3HD1      LEU  64   3.423  -3.417  -1.257
  418   1HD2  LEU  64          1HD2      LEU  64   2.403  -5.468  -0.675
  419   2HD2  LEU  64          2HD2      LEU  64   1.589  -5.883  -2.186
  420   3HD2  LEU  64          3HD2      LEU  64   2.812  -6.967  -1.516
  421    H    VAL  65           H        VAL  65   0.929  -6.593  -6.188
  422    HA   VAL  65           HA       VAL  65   0.636  -4.206  -7.883
  423    HB   VAL  65           HB       VAL  65   0.621  -7.056  -8.906
  424   1HG1  VAL  65          1HG1      VAL  65  -0.781  -5.216 -10.048
  425   2HG1  VAL  65          2HG1      VAL  65   0.773  -4.578 -10.586
  426   3HG1  VAL  65          3HG1      VAL  65   0.282  -6.208 -11.046
  427   1HG2  VAL  65          1HG2      VAL  65   2.877  -6.240  -8.197
  428   2HG2  VAL  65          2HG2      VAL  65   2.746  -6.641  -9.910
  429   3HG2  VAL  65          3HG2      VAL  65   2.723  -4.954  -9.395
  430    H    GLY  66           H        GLY  66  -1.402  -3.639  -8.350
  431   1HA   GLY  66          1HA       GLY  66  -3.569  -5.467  -8.447
  432   2HA   GLY  66          2HA       GLY  66  -3.610  -4.532  -6.956
  433    H    LYS  67           H        LYS  67  -5.601  -3.620  -7.718
  434    HA   LYS  67           HA       LYS  67  -5.166  -1.092  -8.933
  435   1HB   LYS  67          2HB       LYS  67  -5.246  -2.392 -11.005
  436   1HG   LYS  67          2HG       LYS  67  -7.876  -0.964 -10.693
  437   1HD   LYS  67          2HD       LYS  67  -7.579  -2.222 -12.783
  438   1HE   LYS  67          2HE       LYS  67  -5.139  -0.477 -13.082
  439   1HZ   LYS  67          1HZ       LYS  67  -6.377  -2.323 -15.052
  440   2HZ   LYS  67          2HZ       LYS  67  -4.911  -1.491 -15.248
  441   3HZ   LYS  67          3HZ       LYS  67  -6.366  -0.631 -15.157
  442    H    PHE  68           H        PHE  68  -6.441   0.206  -7.830
  443    HA   PHE  68           HA       PHE  68  -9.045  -0.816  -6.919
  444   1HB   PHE  68          2HB       PHE  68  -7.070   0.948  -5.473
  445    HD1  PHE  68           1HD      PHE  68  -9.176  -0.579  -3.238
  446    HD2  PHE  68           2HD      PHE  68  -5.940  -1.506  -5.841
  447    HE1  PHE  68           1HE      PHE  68  -8.621  -2.529  -1.848
  448    HE2  PHE  68           2HE      PHE  68  -5.385  -3.463  -4.457
  449    HZ   PHE  68           HZ       PHE  68  -6.724  -3.974  -2.457
  450    H    LYS  69           H        LYS  69 -10.777   0.612  -6.934
  451    HA   LYS  69           HA       LYS  69 -10.415   2.929  -8.695
  452   1HB   LYS  69          2HB       LYS  69 -11.973   1.339  -9.586
  453   1HG   LYS  69          2HG       LYS  69 -13.703   3.424  -8.276
  454   1HD   LYS  69          2HD       LYS  69 -14.902   1.648  -9.475
  455   1HE   LYS  69          2HE       LYS  69 -13.221   2.541 -11.813
  456   1HZ   LYS  69          1HZ       LYS  69 -15.706   1.994 -12.177
  457   2HZ   LYS  69          2HZ       LYS  69 -15.216   0.385 -11.937
  458   3HZ   LYS  69          3HZ       LYS  69 -14.541   1.298 -13.197
  459    H    ARG  70           H        ARG  70 -10.665   4.922  -7.909
  460    HA   ARG  70           HA       ARG  70 -12.042   5.265  -5.323
  461   1HB   ARG  70          2HB       ARG  70  -9.591   5.468  -5.113
  462   1HG   ARG  70          2HG       ARG  70 -11.338   7.814  -4.645
  463   1HD   ARG  70          2HD       ARG  70  -8.338   7.896  -4.357
  464    HE   ARG  70           HE       ARG  70 -10.261   9.373  -2.935
  465   1HH1  ARG  70          2HH1      ARG  70  -7.339   9.853  -4.799
  466   2HH1  ARG  70          1HH1      ARG  70  -6.918  11.340  -4.002
  467   1HH2  ARG  70          2HH2      ARG  70  -9.742  11.334  -1.897
  468   2HH2  ARG  70          1HH2      ARG  70  -8.285  12.184  -2.351
  469    H    VAL  71           H        VAL  71 -13.951   6.108  -6.048
  470    HA   VAL  71           HA       VAL  71 -14.132   8.027  -8.156
  471    HB   VAL  71           HB       VAL  71 -15.999   6.506  -7.480
  472   1HG1  VAL  71          1HG1      VAL  71 -17.344   6.909  -5.591
  473   2HG1  VAL  71          2HG1      VAL  71 -15.680   6.906  -5.007
  474   3HG1  VAL  71          3HG1      VAL  71 -16.531   8.434  -5.239
  475   1HG2  VAL  71          1HG2      VAL  71 -17.742   8.490  -7.478
  476   2HG2  VAL  71          2HG2      VAL  71 -16.303   9.436  -7.859
  477   3HG2  VAL  71          3HG2      VAL  71 -16.783   8.100  -8.905
  478    H    ASP  72           H        ASP  72 -13.251   8.186  -4.896
  479    HA   ASP  72           HA       ASP  72 -14.051  10.826  -4.211
  480   1HB   ASP  72          2HB       ASP  72 -13.394   8.993  -2.628
  481    H    ASN  73           H        ASN  73 -12.576  10.502  -6.803
  482    HA   ASN  73           HA       ASN  73 -11.164  12.913  -6.784
  483   1HB   ASN  73          2HB       ASN  73  -9.399  11.642  -5.629
  484   1HD2  ASN  73          1HD2      ASN  73  -7.568  10.699  -7.995
  485   2HD2  ASN  73          2HD2      ASN  73  -6.887  12.196  -8.540
  486    H    GLY  74           H        GLY  74 -11.494   9.734  -8.247
  487   1HA   GLY  74          1HA       GLY  74 -12.527  10.905 -10.648
  488   2HA   GLY  74          2HA       GLY  74 -10.945  10.168 -10.895
  489    H    LYS  75           H        LYS  75 -10.687   7.939 -10.502
  490    HA   LYS  75           HA       LYS  75 -12.678   6.289  -9.485
  491   1HB   LYS  75          2HB       LYS  75 -13.408   5.060 -11.450
  492   1HG   LYS  75          2HG       LYS  75 -12.050   7.193 -13.085
  493   1HD   LYS  75          2HD       LYS  75 -13.807   4.865 -13.853
  494   1HE   LYS  75          2HE       LYS  75 -12.240   6.753 -15.599
  495   1HZ   LYS  75          1HZ       LYS  75 -13.149   5.441 -17.415
  496   2HZ   LYS  75          2HZ       LYS  75 -14.386   6.212 -16.552
  497   3HZ   LYS  75          3HZ       LYS  75 -14.105   4.556 -16.326
  498    H    GLU  76           H        GLU  76  -9.840   6.694  -9.344
  499    HA   GLU  76           HA       GLU  76  -9.049   3.957  -9.356
  500   1HB   GLU  76          2HB       GLU  76  -8.022   5.762 -11.493
  501   1HG   GLU  76          2HG       GLU  76  -8.353   2.779 -11.306
  502    H    LEU  77           H        LEU  77  -7.294   3.562  -8.119
  503    HA   LEU  77           HA       LEU  77  -5.351   5.461  -7.439
  504   1HB   LEU  77          2HB       LEU  77  -7.168   6.309  -5.977
  505    HG   LEU  77           HG       LEU  77  -4.916   5.058  -4.391
  506   1HD1  LEU  77          1HD1      LEU  77  -3.955   7.379  -4.592
  507   2HD1  LEU  77          2HD1      LEU  77  -3.947   6.417  -6.070
  508   3HD1  LEU  77          3HD1      LEU  77  -5.158   7.680  -5.846
  509   1HD2  LEU  77          1HD2      LEU  77  -5.469   7.227  -3.007
  510   2HD2  LEU  77          2HD2      LEU  77  -7.069   6.997  -3.714
  511   3HD2  LEU  77          3HD2      LEU  77  -6.346   5.721  -2.734
  512    H    ILE  78           H        ILE  78  -3.812   4.057  -7.800
  513    HA   ILE  78           HA       ILE  78  -4.066   1.341  -6.699
  514    HB   ILE  78           HB       ILE  78  -2.402   2.279  -9.047
  515   1HG1  ILE  78          2HG1      ILE  78  -5.050   0.822  -9.116
  516   1HG2  ILE  78          1HG2      ILE  78  -3.184  -0.505  -9.022
  517   2HG2  ILE  78          2HG2      ILE  78  -1.582   0.215  -9.180
  518   3HG2  ILE  78          3HG2      ILE  78  -2.266  -0.074  -7.581
  519   1HD1  ILE  78          1HD1      ILE  78  -4.298   2.275 -11.488
  520   2HD1  ILE  78          2HD1      ILE  78  -3.114   1.034 -11.082
  521   3HD1  ILE  78          3HD1      ILE  78  -4.808   0.599 -11.302
  522    H    ALA  79           H        ALA  79  -2.240   0.320  -5.805
  523    HA   ALA  79           HA       ALA  79   0.095   2.053  -5.354
  524   1HB   ALA  79          1HB       ALA  79   0.363   1.382  -3.142
  525   2HB   ALA  79          2HB       ALA  79  -1.383   1.587  -3.268
  526   3HB   ALA  79          3HB       ALA  79  -0.679  -0.026  -3.335
  527    H    VAL  80           H        VAL  80   1.942   1.139  -6.058
  528    HA   VAL  80           HA       VAL  80   2.065  -1.759  -6.445
  529    HB   VAL  80           HB       VAL  80   1.025  -0.889  -8.474
  530   1HG1  VAL  80          1HG1      VAL  80   1.841   0.780  -9.819
  531   2HG1  VAL  80          2HG1      VAL  80   2.249   1.384  -8.213
  532   3HG1  VAL  80          3HG1      VAL  80   3.486   0.617  -9.207
  533   1HG2  VAL  80          1HG2      VAL  80   2.106  -2.402  -9.698
  534   2HG2  VAL  80          2HG2      VAL  80   3.595  -1.456  -9.681
  535   3HG2  VAL  80          3HG2      VAL  80   3.233  -2.554  -8.349
  536    H    ARG  81           H        ARG  81   4.012  -2.521  -5.922
  537    HA   ARG  81           HA       ARG  81   6.376  -1.363  -6.838
  538   1HB   ARG  81          2HB       ARG  81   5.737   0.162  -4.840
  539   1HG   ARG  81          2HG       ARG  81   8.126   0.337  -4.152
  540   1HD   ARG  81          2HD       ARG  81   7.435   0.170  -7.072
  541    HE   ARG  81           HE       ARG  81  10.038   0.445  -6.067
  542   1HH1  ARG  81          2HH1      ARG  81   7.825   1.989  -8.297
  543   2HH1  ARG  81          1HH1      ARG  81   9.078   2.708  -9.264
  544   1HH2  ARG  81          2HH2      ARG  81  11.711   1.443  -7.304
  545   2HH2  ARG  81          1HH2      ARG  81  11.283   2.446  -8.670
  546    H    GLU  82           H        GLU  82   8.358  -2.463  -5.930
  547    HA   GLU  82           HA       GLU  82   7.704  -5.148  -4.956
  548   1HB   GLU  82          2HB       GLU  82   9.658  -5.930  -6.371
  549   1HG   GLU  82          2HG       GLU  82   9.209  -3.355  -7.865
  550    H    ILE  83           H        ILE  83   9.239  -6.043  -3.555
  551    HA   ILE  83           HA       ILE  83  11.408  -4.206  -2.740
  552    HB   ILE  83           HB       ILE  83  11.544  -6.401  -1.032
  553   1HG1  ILE  83          2HG1      ILE  83   9.195  -6.977  -1.507
  554   1HG2  ILE  83          1HG2      ILE  83  10.942  -4.674   0.692
  555   2HG2  ILE  83          2HG2      ILE  83  12.295  -4.318  -0.391
  556   3HG2  ILE  83          3HG2      ILE  83  10.719  -3.561  -0.660
  557   1HD1  ILE  83          1HD1      ILE  83   8.269  -4.748  -1.949
  558   2HD1  ILE  83          2HD1      ILE  83   7.373  -5.634  -0.714
  559   3HD1  ILE  83          3HD1      ILE  83   8.485  -4.348  -0.246
  560    H    SER  84           H        SER  84  13.421  -4.906  -3.361
  561    HA   SER  84           HA       SER  84  13.733  -7.789  -3.884
  562   1HB   SER  84          2HB       SER  84  14.204  -5.753  -6.080
  563    HG   SER  84           HG       SER  84  12.349  -6.374  -6.891
  564    H    GLY  85           H        GLY  85  15.283  -7.940  -2.347
  565   1HA   GLY  85          1HA       GLY  85  17.378  -7.778  -1.382
  566   2HA   GLY  85          2HA       GLY  85  17.995  -7.445  -3.004
  567    H    ASN  86           H        ASN  86  15.589  -5.785  -1.175
  568    HA   ASN  86           HA       ASN  86  16.992  -3.308  -0.983
  569   1HB   ASN  86          2HB       ASN  86  16.248  -3.865  -3.479
  570   1HD2  ASN  86          1HD2      ASN  86  17.255  -2.321  -4.500
  571   2HD2  ASN  86          2HD2      ASN  86  17.212  -0.629  -4.108
  572    H    GLU  87           H        GLU  87  15.212  -1.687  -0.725
  573    HA   GLU  87           HA       GLU  87  13.449  -2.585   1.388
  574   1HB   GLU  87          2HB       GLU  87  14.342   0.227   0.949
  575   1HG   GLU  87          2HG       GLU  87  16.245  -1.684   0.991
  576    H    LEU  88           H        LEU  88  11.458  -1.170   1.463
  577    HA   LEU  88           HA       LEU  88  10.341  -1.446  -1.156
  578   1HB   LEU  88          2HB       LEU  88   9.198  -2.565   0.598
  579    HG   LEU  88           HG       LEU  88   7.703  -0.153  -0.343
  580   1HD1  LEU  88          1HD1      LEU  88   6.545  -2.730  -0.866
  581   2HD1  LEU  88          2HD1      LEU  88   7.025  -1.454  -1.985
  582   3HD1  LEU  88          3HD1      LEU  88   8.213  -2.636  -1.436
  583   1HD2  LEU  88          1HD2      LEU  88   5.756  -0.724   0.810
  584   2HD2  LEU  88          2HD2      LEU  88   6.393  -2.297   1.286
  585   3HD2  LEU  88          3HD2      LEU  88   7.028  -0.829   2.024
  586    H    ILE  89           H        ILE  89   9.655   0.008  -2.430
  587    HA   ILE  89           HA       ILE  89   9.404   2.810  -1.560
  588    HB   ILE  89           HB       ILE  89   9.727   1.617  -4.341
  589   1HG1  ILE  89          2HG1      ILE  89  11.797   3.179  -4.279
  590   1HG2  ILE  89          1HG2      ILE  89   9.684   4.555  -3.740
  591   2HG2  ILE  89          2HG2      ILE  89   9.595   3.746  -5.304
  592   3HG2  ILE  89          3HG2      ILE  89   8.230   3.663  -4.189
  593   1HD1  ILE  89          1HD1      ILE  89  13.130   1.431  -3.881
  594   2HD1  ILE  89          2HD1      ILE  89  12.357   1.055  -2.342
  595   3HD1  ILE  89          3HD1      ILE  89  11.618   0.524  -3.852
  596    H    GLN  90           H        GLN  90   7.407   3.905  -2.560
  597    HA   GLN  90           HA       GLN  90   5.259   1.945  -2.988
  598   1HB   GLN  90          2HB       GLN  90   5.355   2.577  -0.598
  599   1HG   GLN  90          2HG       GLN  90   2.934   3.670  -2.013
  600   1HE2  GLN  90          1HE2      GLN  90   2.132   1.487   0.250
  601   2HE2  GLN  90          2HE2      GLN  90   1.817   2.532   1.595
  602    H    THR  91           H        THR  91   4.231   2.392  -4.778
  603    HA   THR  91           HA       THR  91   4.185   5.146  -5.779
  604    HB   THR  91           HB       THR  91   3.422   2.661  -7.323
  605    HG1  THR  91           1HG      THR  91   5.568   2.562  -8.008
  606   1HG2  THR  91          1HG2      THR  91   2.714   4.456  -8.564
  607   2HG2  THR  91          2HG2      THR  91   4.361   4.273  -9.165
  608   3HG2  THR  91          3HG2      THR  91   3.991   5.518  -7.973
  609    H    TYR  92           H        TYR  92   2.351   6.231  -6.001
  610    HA   TYR  92           HA       TYR  92  -0.195   4.789  -5.714
  611   1HB   TYR  92          2HB       TYR  92   0.544   7.644  -5.095
  612    HD1  TYR  92           1HD      TYR  92  -2.452   7.102  -3.629
  613    HD2  TYR  92           2HD      TYR  92   1.562   5.720  -3.319
  614    HE1  TYR  92           1HE      TYR  92  -2.852   6.484  -1.287
  615    HE2  TYR  92           2HE      TYR  92   1.164   5.089  -0.974
  616    HH   TYR  92           HH       TYR  92  -0.263   5.410   0.809
  617    H    THR  93           H        THR  93  -0.803   4.222  -7.665
  618    HA   THR  93           HA       THR  93  -0.193   5.947  -9.950
  619    HB   THR  93           HB       THR  93  -1.202   3.093  -9.913
  620    HG1  THR  93           1HG      THR  93   1.145   3.969  -9.200
  621   1HG2  THR  93          1HG2      THR  93  -1.329   4.781 -12.002
  622   2HG2  THR  93          2HG2      THR  93  -1.043   3.049 -12.175
  623   3HG2  THR  93          3HG2      THR  93   0.314   4.174 -12.208
  624    H    TYR  94           H        TYR  94  -1.714   6.917 -11.153
  625    HA   TYR  94           HA       TYR  94  -4.509   6.125 -10.946
  626   1HB   TYR  94          2HB       TYR  94  -4.394   7.779  -9.190
  627    HD1  TYR  94           1HD      TYR  94  -4.687  10.653 -11.098
  628    HD2  TYR  94           2HD      TYR  94  -6.742   7.015 -10.287
  629    HE1  TYR  94           1HE      TYR  94  -6.788  11.684 -11.850
  630    HE2  TYR  94           2HE      TYR  94  -8.847   8.036 -11.052
  631    HH   TYR  94           HH       TYR  94  -8.924  11.107 -12.660
  632    H    GLU  95           H        GLU  95  -5.278   6.033 -12.942
  633    HA   GLU  95           HA       GLU  95  -5.524   6.304 -15.176
  634   1HB   GLU  95          2HB       GLU  95  -6.249   8.567 -14.327
  635   1HG   GLU  95          2HG       GLU  95  -4.970   8.674 -17.051
  636    H    GLY  96           H        GLY  96  -3.177   5.140 -14.455
  637   1HA   GLY  96          1HA       GLY  96  -1.221   4.450 -15.436
  638   2HA   GLY  96          2HA       GLY  96  -1.627   5.475 -16.802
  639    H    VAL  97           H        VAL  97  -1.484   7.150 -13.837
  640    HA   VAL  97           HA       VAL  97   1.164   8.215 -14.565
  641    HB   VAL  97           HB       VAL  97  -0.827   9.430 -12.658
  642   1HG1  VAL  97          1HG1      VAL  97   1.813  10.269 -13.745
  643   2HG1  VAL  97          2HG1      VAL  97   0.606  11.505 -13.387
  644   3HG1  VAL  97          3HG1      VAL  97   1.163  10.420 -12.111
  645   1HG2  VAL  97          1HG2      VAL  97  -0.771  11.064 -14.866
  646   2HG2  VAL  97          2HG2      VAL  97  -0.741   9.452 -15.577
  647   3HG2  VAL  97          3HG2      VAL  97  -2.045   9.907 -14.481
  648    H    GLU  98           H        GLU  98   2.843   8.051 -13.177
  649    HA   GLU  98           HA       GLU  98   2.309   6.555 -10.724
  650   1HB   GLU  98          2HB       GLU  98   3.806   5.246 -11.885
  651   1HG   GLU  98          2HG       GLU  98   5.751   7.114 -10.557
  652    H    ALA  99           H        ALA  99   2.790   7.313  -8.796
  653    HA   ALA  99           HA       ALA  99   4.546   9.627  -8.487
  654   1HB   ALA  99          1HB       ALA  99   2.845  10.999  -8.001
  655   2HB   ALA  99          2HB       ALA  99   1.683   9.675  -8.088
  656   3HB   ALA  99          3HB       ALA  99   2.535  10.003  -6.577
  657    H    LYS 100           H        LYS 100   6.098   8.851  -7.204
  658    HA   LYS 100           HA       LYS 100   5.313   6.858  -5.177
  659   1HB   LYS 100          2HB       LYS 100   7.422   5.686  -5.701
  660   1HG   LYS 100          2HG       LYS 100   7.675   7.807  -7.809
  661   1HD   LYS 100          2HD       LYS 100   9.138   5.175  -7.691
  662   1HE   LYS 100          2HE       LYS 100   9.312   7.579  -9.489
  663   1HZ   LYS 100          1HZ       LYS 100   9.197   5.518 -10.812
  664   2HZ   LYS 100          2HZ       LYS 100  10.556   4.931  -9.982
  665   3HZ   LYS 100          3HZ       LYS 100  10.688   6.321 -10.947
  666    H    ARG 101           H        ARG 101   6.482   6.646  -3.341
  667    HA   ARG 101           HA       ARG 101   8.480   8.714  -2.720
  668   1HB   ARG 101          2HB       ARG 101   6.344   9.171  -1.509
  669   1HG   ARG 101          2HG       ARG 101   7.211   9.004   0.868
  670   1HD   ARG 101          2HD       ARG 101   9.104  10.286  -1.095
  671    HE   ARG 101           HE       ARG 101   8.483  11.641   1.359
  672   1HH1  ARG 101          2HH1      ARG 101  10.677   9.428  -0.220
  673   2HH1  ARG 101          1HH1      ARG 101  11.873   9.504   1.037
  674   1HH2  ARG 101          2HH2      ARG 101  10.069  11.793   3.004
  675   2HH2  ARG 101          1HH2      ARG 101  11.530  10.851   2.872
  676    H    ILE 102           H        ILE 102  10.300   7.909  -1.645
  677    HA   ILE 102           HA       ILE 102  10.520   5.006  -1.820
  678    HB   ILE 102           HB       ILE 102  12.664   7.121  -1.546
  679   1HG1  ILE 102          2HG1      ILE 102  11.812   5.469  -3.935
  680   1HG2  ILE 102          1HG2      ILE 102  13.867   4.869  -2.547
  681   2HG2  ILE 102          2HG2      ILE 102  13.941   5.413  -0.871
  682   3HG2  ILE 102          3HG2      ILE 102  12.745   4.211  -1.355
  683   1HD1  ILE 102          1HD1      ILE 102  13.813   5.938  -4.757
  684   2HD1  ILE 102          2HD1      ILE 102  13.277   7.620  -4.830
  685   3HD1  ILE 102          3HD1      ILE 102  14.184   7.043  -3.432
  686    H    PHE 103           H        PHE 103  10.664   3.728  -0.150
  687    HA   PHE 103           HA       PHE 103  11.288   4.849   2.490
  688   1HB   PHE 103          2HB       PHE 103   9.342   2.595   1.947
  689    HD1  PHE 103           1HD      PHE 103   8.842   5.543   4.062
  690    HD2  PHE 103           2HD      PHE 103   7.889   3.664   0.366
  691    HE1  PHE 103           1HE      PHE 103   6.994   7.134   3.731
  692    HE2  PHE 103           2HE      PHE 103   6.041   5.249   0.030
  693    HZ   PHE 103           HZ       PHE 103   5.592   6.988   1.714
  694    H    LYS 104           H        LYS 104  11.901   3.026   4.034
  695    HA   LYS 104           HA       LYS 104  13.284   0.858   2.731
  696   1HB   LYS 104          2HB       LYS 104  15.434   1.338   3.464
  697   1HG   LYS 104          2HG       LYS 104  14.900   1.821   5.827
  698   1HD   LYS 104          2HD       LYS 104  14.357   4.600   4.789
  699   1HE   LYS 104          2HE       LYS 104  15.728   4.627   6.825
  700   1HZ   LYS 104          1HZ       LYS 104  15.386   2.804   8.098
  701   2HZ   LYS 104          2HZ       LYS 104  13.735   2.697   7.721
  702   3HZ   LYS 104          3HZ       LYS 104  14.267   3.828   8.861
  703    H    LYS 105           H        LYS 105  14.149  -0.706   4.447
  704    HA   LYS 105           HA       LYS 105  12.051  -1.448   6.125
  705   1HB   LYS 105          2HB       LYS 105  13.882  -2.941   5.333
  706   1HG   LYS 105          2HG       LYS 105  12.499  -3.231   7.636
  707   1HD   LYS 105          2HD       LYS 105  15.393  -3.611   8.381
  708   1HE   LYS 105          2HE       LYS 105  13.706  -5.143   9.399
  709   1HZ   LYS 105          1HZ       LYS 105  12.690  -2.649  10.661
  710   2HZ   LYS 105          2HZ       LYS 105  12.189  -4.230  11.019
  711   3HZ   LYS 105          3HZ       LYS 105  11.854  -3.559   9.500
  712    H    GLU 106           H        GLU 106  11.471  -0.955   8.175
  713    HA   GLU 106           HA       GLU 106  12.409   1.480   9.268
  714   1HB   GLU 106          2HB       GLU 106  10.068   0.331   9.418
  715   1HG   GLU 106          2HG       GLU 106  11.271   1.781  11.758
  Start of MODEL    9
    1   1H    ALA   1          1H        ALA   1   7.322 -14.533   5.489
    2   2H    ALA   1          2H        ALA   1   8.850 -13.834   5.729
    3   3H    ALA   1          3H        ALA   1   8.572 -14.816   4.375
    4    HA   ALA   1           HA       ALA   1   8.236 -12.946   3.279
    5   1HB   ALA   1          1HB       ALA   1   5.774 -12.068   4.398
    6   2HB   ALA   1          2HB       ALA   1   6.051 -12.971   2.908
    7   3HB   ALA   1          3HB       ALA   1   5.805 -13.831   4.427
    8    H    PHE   2           H        PHE   2   6.309 -10.862   4.736
    9    HA   PHE   2           HA       PHE   2   8.482  -9.133   5.471
   10   1HB   PHE   2          2HB       PHE   2   5.496  -8.735   5.376
   11    HD1  PHE   2           1HD      PHE   2   7.249  -5.889   4.485
   12    HD2  PHE   2           2HD      PHE   2   6.233  -9.744   2.997
   13    HE1  PHE   2           1HE      PHE   2   7.589  -5.086   2.186
   14    HE2  PHE   2           2HE      PHE   2   6.573  -8.948   0.696
   15    HZ   PHE   2           HZ       PHE   2   7.252  -6.617   0.286
   16    H    ASP   3           H        ASP   3   5.685  -8.648   7.382
   17    HA   ASP   3           HA       ASP   3   5.324  -8.609   9.619
   18   1HB   ASP   3          2HB       ASP   3   5.480 -11.043   9.580
   19    H    GLY   4           H        GLY   4   6.686  -6.642   8.885
   20   1HA   GLY   4          1HA       GLY   4   8.672  -6.120  10.905
   21   2HA   GLY   4          2HA       GLY   4   9.331  -6.286   9.284
   22    H    THR   5           H        THR   5   9.643  -3.930  10.623
   23    HA   THR   5           HA       THR   5   7.575  -2.136   9.573
   24    HB   THR   5           HB       THR   5   9.130  -0.463  10.948
   25    HG1  THR   5           1HG      THR   5  10.716  -1.974  11.541
   26   1HG2  THR   5          1HG2      THR   5   7.741  -1.695  13.015
   27   2HG2  THR   5          2HG2      THR   5   6.812  -2.082  11.568
   28   3HG2  THR   5          3HG2      THR   5   7.149  -0.399  11.975
   29    H    TRP   6           H        TRP   6   7.936  -0.899   7.830
   30    HA   TRP   6           HA       TRP   6  10.722  -0.461   6.923
   31   1HB   TRP   6          2HB       TRP   6   8.360  -1.121   5.135
   32    HD1  TRP   6           HD       TRP   6   8.986  -3.334   7.352
   33    HE1  TRP   6           1HE      TRP   6   9.822  -5.656   6.612
   34    HE3  TRP   6           3HE      TRP   6  10.773  -2.126   2.712
   35    HZ2  TRP   6           2HZ      TRP   6  11.051  -6.816   4.370
   36    HZ3  TRP   6           3HZ      TRP   6  11.750  -3.909   1.332
   37    HH2  TRP   6           HH       TRP   6  11.888  -6.207   2.144
   38    H    LYS   7           H        LYS   7  10.873   1.744   7.363
   39    HA   LYS   7           HA       LYS   7   9.330   3.549   5.786
   40   1HB   LYS   7          2HB       LYS   7   7.852   2.793   7.818
   41   1HG   LYS   7          2HG       LYS   7   6.885   5.075   8.074
   42   1HD   LYS   7          2HD       LYS   7   7.433   4.522   5.175
   43   1HE   LYS   7          2HE       LYS   7   5.012   5.431   6.735
   44   1HZ   LYS   7          1HZ       LYS   7   5.264   4.404   4.040
   45   2HZ   LYS   7          2HZ       LYS   7   4.414   5.862   4.175
   46   3HZ   LYS   7          3HZ       LYS   7   3.898   4.497   5.042
   47    H    VAL   8           H        VAL   8   9.708   5.875   6.515
   48    HA   VAL   8           HA       VAL   8  12.552   6.185   7.172
   49    HB   VAL   8           HB       VAL   8  10.635   8.227   6.016
   50   1HG1  VAL   8          1HG1      VAL   8  12.410   9.426   6.917
   51   2HG1  VAL   8          2HG1      VAL   8  13.598   8.204   6.468
   52   3HG1  VAL   8          3HG1      VAL   8  12.869   9.225   5.228
   53   1HG2  VAL   8          1HG2      VAL   8  10.693   6.739   4.279
   54   2HG2  VAL   8          2HG2      VAL   8  12.120   7.711   3.908
   55   3HG2  VAL   8          3HG2      VAL   8  12.300   6.142   4.696
   56    H    GLY   9           H        GLY   9  13.197   7.610   8.787
   57   1HA   GLY   9          1HA       GLY   9  11.955   7.551  11.176
   58   2HA   GLY   9          2HA       GLY   9  13.084   8.820  10.740
   59    H    GLY  10           H        GLY  10  10.532   8.650  12.371
   60   1HA   GLY  10          1HA       GLY  10   9.101  10.492  12.893
   61   2HA   GLY  10          2HA       GLY  10   9.257  11.045  11.230
   62    H    LEU  11           H        LEU  11   8.822   8.555   9.984
   63    HA   LEU  11           HA       LEU  11   5.952   8.143  10.531
   64   1HB   LEU  11          2HB       LEU  11   7.439   7.312   8.042
   65    HG   LEU  11           HG       LEU  11   7.646   9.742   8.093
   66   1HD1  LEU  11          1HD1      LEU  11   7.269   8.695   5.953
   67   2HD1  LEU  11          2HD1      LEU  11   5.523   8.732   6.205
   68   3HD1  LEU  11          3HD1      LEU  11   6.421  10.239   6.014
   69   1HD2  LEU  11          1HD2      LEU  11   4.847   9.561   9.001
   70   2HD2  LEU  11          2HD2      LEU  11   6.085  10.768   9.356
   71   3HD2  LEU  11          3HD2      LEU  11   5.194  10.840   7.837
   72    H    LYS  12           H        LYS  12   5.237   5.845  10.109
   73    HA   LYS  12           HA       LYS  12   7.327   3.870  10.299
   74   1HB   LYS  12          2HB       LYS  12   6.445   2.703  12.236
   75   1HG   LYS  12          2HG       LYS  12   4.562   5.014  12.640
   76   1HD   LYS  12          2HD       LYS  12   5.477   4.084  14.719
   77   1HE   LYS  12          2HE       LYS  12   4.283   1.469  13.808
   78   1HZ   LYS  12          1HZ       LYS  12   5.878   2.138  16.226
   79   2HZ   LYS  12          2HZ       LYS  12   5.308   0.596  15.798
   80   3HZ   LYS  12          3HZ       LYS  12   4.209   1.823  16.203
   81    H    LEU  13           H        LEU  13   6.766   1.918   9.499
   82    HA   LEU  13           HA       LEU  13   4.010   1.530   8.563
   83   1HB   LEU  13          2HB       LEU  13   5.683   2.592   6.841
   84    HG   LEU  13           HG       LEU  13   3.479   1.698   6.097
   85   1HD1  LEU  13          1HD1      LEU  13   5.390   2.576   4.595
   86   2HD1  LEU  13          2HD1      LEU  13   5.560   0.888   4.108
   87   3HD1  LEU  13          3HD1      LEU  13   4.034   1.733   3.849
   88   1HD2  LEU  13          1HD2      LEU  13   4.857  -0.810   5.250
   89   2HD2  LEU  13          2HD2      LEU  13   4.170  -0.698   6.870
   90   3HD2  LEU  13          3HD2      LEU  13   3.136  -0.485   5.459
   91    H    THR  14           H        THR  14   3.395  -0.574   8.701
   92    HA   THR  14           HA       THR  14   5.450  -2.595   9.230
   93    HB   THR  14           HB       THR  14   2.869  -2.479  10.778
   94    HG1  THR  14           1HG      THR  14   5.214  -1.034  11.129
   95   1HG2  THR  14          1HG2      THR  14   4.265  -4.607  10.581
   96   2HG2  THR  14          2HG2      THR  14   3.870  -4.066  12.213
   97   3HG2  THR  14          3HG2      THR  14   5.476  -3.765  11.551
   98    H    ILE  15           H        ILE  15   5.174  -4.254   7.882
   99    HA   ILE  15           HA       ILE  15   2.479  -4.722   6.786
  100    HB   ILE  15           HB       ILE  15   5.127  -5.529   5.592
  101   1HG1  ILE  15          2HG1      ILE  15   3.192  -3.348   4.771
  102   1HG2  ILE  15          1HG2      ILE  15   2.674  -5.530   3.958
  103   2HG2  ILE  15          2HG2      ILE  15   4.015  -6.675   3.990
  104   3HG2  ILE  15          3HG2      ILE  15   2.752  -6.761   5.218
  105   1HD1  ILE  15          1HD1      ILE  15   4.133  -3.224   2.779
  106   2HD1  ILE  15          2HD1      ILE  15   5.748  -3.206   3.489
  107   3HD1  ILE  15          3HD1      ILE  15   4.961  -4.742   3.124
  108    H    THR  16           H        THR  16   1.540  -6.371   7.737
  109    HA   THR  16           HA       THR  16   3.232  -8.592   8.660
  110    HB   THR  16           HB       THR  16   0.615  -7.757   9.912
  111    HG1  THR  16           1HG      THR  16   3.205  -7.065  10.895
  112   1HG2  THR  16          1HG2      THR  16   1.078  -9.879  10.698
  113   2HG2  THR  16          2HG2      THR  16   1.884  -8.880  11.908
  114   3HG2  THR  16          3HG2      THR  16   2.822  -9.641  10.621
  115    H    GLN  17           H        GLN  17   2.454 -10.700   8.353
  116    HA   GLN  17           HA       GLN  17  -0.077 -10.932   6.902
  117   1HB   GLN  17          2HB       GLN  17   0.825 -12.569   5.375
  118   1HG   GLN  17          2HG       GLN  17   2.651 -13.437   6.890
  119   1HE2  GLN  17          1HE2      GLN  17   4.382 -13.031   8.049
  120   2HE2  GLN  17          2HE2      GLN  17   5.453 -11.684   7.830
  121    H    GLU  18           H        GLU  18  -1.377 -12.468   7.546
  122    HA   GLU  18           HA       GLU  18  -0.399 -14.417   9.518
  123   1HB   GLU  18          2HB       GLU  18  -2.858 -14.703  10.056
  124   1HG   GLU  18          2HG       GLU  18  -3.164 -12.140   8.510
  125    H    GLY  19           H        GLY  19   0.463 -15.807   7.961
  126   1HA   GLY  19          1HA       GLY  19   0.339 -17.632   6.501
  127   2HA   GLY  19          2HA       GLY  19  -1.418 -17.470   6.484
  128    H    ASN  20           H        ASN  20  -2.373 -16.359   4.877
  129    HA   ASN  20           HA       ASN  20  -0.711 -14.506   3.359
  130   1HB   ASN  20          2HB       ASN  20  -2.613 -16.530   2.170
  131   1HD2  ASN  20          1HD2      ASN  20  -0.728 -15.559  -0.193
  132   2HD2  ASN  20          2HD2      ASN  20   0.623 -16.632  -0.016
  133    H    LYS  21           H        LYS  21  -1.486 -12.879   4.484
  134    HA   LYS  21           HA       LYS  21  -3.810 -11.590   3.575
  135   1HB   LYS  21          2HB       LYS  21  -3.909 -12.771   6.352
  136   1HG   LYS  21          2HG       LYS  21  -6.128 -12.261   4.387
  137   1HD   LYS  21          2HD       LYS  21  -7.203 -14.061   5.891
  138   1HE   LYS  21          2HE       LYS  21  -7.874 -11.640   5.773
  139   1HZ   LYS  21          1HZ       LYS  21  -5.975 -10.595   6.757
  140   2HZ   LYS  21          2HZ       LYS  21  -6.176 -11.453   8.203
  141   3HZ   LYS  21          3HZ       LYS  21  -7.325 -10.296   7.734
  142    H    PHE  22           H        PHE  22  -2.666  -9.745   3.231
  143    HA   PHE  22           HA       PHE  22  -0.637  -9.074   5.225
  144   1HB   PHE  22          2HB       PHE  22  -0.952  -8.351   2.320
  145    HD1  PHE  22           1HD      PHE  22   2.348  -8.235   3.109
  146    HD2  PHE  22           2HD      PHE  22  -0.782 -11.095   2.705
  147    HE1  PHE  22           1HE      PHE  22   4.013  -9.985   2.652
  148    HE2  PHE  22           2HE      PHE  22   0.879 -12.848   2.249
  149    HZ   PHE  22           HZ       PHE  22   3.280 -12.299   2.224
  150    H    THR  23           H        THR  23  -0.739  -7.376   6.464
  151    HA   THR  23           HA       THR  23  -2.694  -5.263   5.816
  152    HB   THR  23           HB       THR  23  -3.345  -6.486   7.850
  153    HG1  THR  23           1HG      THR  23  -3.545  -4.091   7.608
  154   1HG2  THR  23          1HG2      THR  23  -2.025  -6.685   9.764
  155   2HG2  THR  23          2HG2      THR  23  -0.892  -5.443   9.226
  156   3HG2  THR  23          3HG2      THR  23  -0.899  -7.027   8.449
  157    H    VAL  24           H        VAL  24  -1.912  -3.312   5.542
  158    HA   VAL  24           HA       VAL  24   0.933  -2.842   6.109
  159    HB   VAL  24           HB       VAL  24  -0.963  -1.494   4.166
  160   1HG1  VAL  24          1HG1      VAL  24   0.409   0.257   3.915
  161   2HG1  VAL  24          2HG1      VAL  24   1.065  -0.207   5.484
  162   3HG1  VAL  24          3HG1      VAL  24   1.856  -0.746   4.002
  163   1HG2  VAL  24          1HG2      VAL  24   1.325  -3.391   3.899
  164   2HG2  VAL  24          2HG2      VAL  24  -0.243  -3.402   3.094
  165   3HG2  VAL  24          3HG2      VAL  24   0.992  -2.241   2.603
  166    H    LYS  25           H        LYS  25   1.395  -1.529   7.750
  167    HA   LYS  25           HA       LYS  25  -0.778   0.057   8.911
  168   1HB   LYS  25          2HB       LYS  25   0.486  -1.505  10.383
  169   1HG   LYS  25          2HG       LYS  25   0.763   1.425  10.961
  170   1HD   LYS  25          2HD       LYS  25   1.346  -0.915  12.766
  171   1HE   LYS  25          2HE       LYS  25   0.064   0.568  14.081
  172   1HZ   LYS  25          1HZ       LYS  25   1.435   2.683  12.574
  173   2HZ   LYS  25          2HZ       LYS  25   0.914   3.021  14.150
  174   3HZ   LYS  25          3HZ       LYS  25  -0.203   2.530  12.971
  175    H    GLU  26           H        GLU  26  -0.891   2.040   8.134
  176    HA   GLU  26           HA       GLU  26   1.576   3.381   7.312
  177   1HB   GLU  26          2HB       GLU  26  -1.311   3.694   6.558
  178   1HG   GLU  26          2HG       GLU  26   0.329   2.213   5.289
  179    H    SER  27           H        SER  27   2.260   5.204   8.163
  180    HA   SER  27           HA       SER  27   0.564   6.751   9.939
  181   1HB   SER  27          2HB       SER  27   3.316   5.865  10.844
  182    HG   SER  27           HG       SER  27   1.186   4.381  10.763
  183    H    SER  28           H        SER  28   0.656   8.661   8.999
  184    HA   SER  28           HA       SER  28   3.179   9.959   8.427
  185   1HB   SER  28          2HB       SER  28   1.225   9.301   6.201
  186    HG   SER  28           HG       SER  28   3.295   7.948   7.110
  187    H    ASN  29           H        ASN  29   2.941  12.196   8.008
  188    HA   ASN  29           HA       ASN  29   2.046  14.270   8.208
  189   1HB   ASN  29          2HB       ASN  29  -0.587  12.844   7.759
  190   1HD2  ASN  29          1HD2      ASN  29   2.348  13.967   6.440
  191   2HD2  ASN  29          2HD2      ASN  29   1.894  13.868   4.770
  192    H    PHE  30           H        PHE  30  -0.636  12.471   9.641
  193    HA   PHE  30           HA       PHE  30   0.246  12.712  12.315
  194   1HB   PHE  30          2HB       PHE  30  -0.435  15.118  11.811
  195    HD1  PHE  30           1HD      PHE  30  -3.246  15.425  13.415
  196    HD2  PHE  30           2HD      PHE  30   0.514  13.555  14.102
  197    HE1  PHE  30           1HE      PHE  30  -3.589  15.631  15.843
  198    HE2  PHE  30           2HE      PHE  30   0.174  13.751  16.530
  199    HZ   PHE  30           HZ       PHE  30  -1.880  14.788  17.404
  200    H    ARG  31           H        ARG  31  -0.459  10.675  10.826
  201    HA   ARG  31           HA       ARG  31  -3.138   9.865  11.704
  202   1HB   ARG  31          2HB       ARG  31  -2.440  10.747   9.133
  203   1HG   ARG  31          2HG       ARG  31  -4.619  10.287   8.501
  204   1HD   ARG  31          2HD       ARG  31  -4.692  10.540  11.498
  205    HE   ARG  31           HE       ARG  31  -6.824  10.623   9.679
  206   1HH1  ARG  31          2HH1      ARG  31  -5.470  12.444  12.344
  207   2HH1  ARG  31          1HH1      ARG  31  -6.992  13.145  12.809
  208   1HH2  ARG  31          2HH2      ARG  31  -8.807  11.550  10.259
  209   2HH2  ARG  31          1HH2      ARG  31  -8.889  12.660  11.597
  210    H    ASN  32           H        ASN  32  -3.476   7.653  11.827
  211    HA   ASN  32           HA       ASN  32  -1.348   5.871  11.021
  212   1HB   ASN  32          2HB       ASN  32  -1.208   4.734  13.204
  213   1HD2  ASN  32          1HD2      ASN  32  -1.676   7.775  14.669
  214   2HD2  ASN  32          2HD2      ASN  32  -3.006   7.330  15.696
  215    H    ILE  33           H        ILE  33  -2.337   4.456   9.837
  216    HA   ILE  33           HA       ILE  33  -4.842   3.225  10.705
  217    HB   ILE  33           HB       ILE  33  -5.535   5.243   9.534
  218   1HG1  ILE  33          2HG1      ILE  33  -6.637   2.870   9.128
  219   1HG2  ILE  33          1HG2      ILE  33  -4.068   4.244   7.108
  220   2HG2  ILE  33          2HG2      ILE  33  -4.946   5.763   7.286
  221   3HG2  ILE  33          3HG2      ILE  33  -3.460   5.492   8.199
  222   1HD1  ILE  33          1HD1      ILE  33  -5.557   3.555   6.424
  223   2HD1  ILE  33          2HD1      ILE  33  -5.587   1.998   7.252
  224   3HD1  ILE  33          3HD1      ILE  33  -7.081   2.688   6.618
  225    H    ASP  34           H        ASP  34  -5.086   1.172   9.992
  226    HA   ASP  34           HA       ASP  34  -2.874   0.084   8.402
  227   1HB   ASP  34          2HB       ASP  34  -4.842  -1.446  10.122
  228    H    VAL  35           H        VAL  35  -3.190  -1.029   6.562
  229    HA   VAL  35           HA       VAL  35  -5.967  -1.274   5.579
  230    HB   VAL  35           HB       VAL  35  -3.500  -1.111   3.841
  231   1HG1  VAL  35          1HG1      VAL  35  -6.041  -1.932   3.253
  232   2HG1  VAL  35          2HG1      VAL  35  -6.071  -0.235   2.773
  233   3HG1  VAL  35          3HG1      VAL  35  -4.866  -1.326   2.086
  234   1HG2  VAL  35          1HG2      VAL  35  -4.700   1.263   3.409
  235   2HG2  VAL  35          2HG2      VAL  35  -5.027   1.054   5.132
  236   3HG2  VAL  35          3HG2      VAL  35  -3.366   1.028   4.540
  237    H    VAL  36           H        VAL  36  -6.600  -3.362   5.571
  238    HA   VAL  36           HA       VAL  36  -4.501  -5.408   5.312
  239    HB   VAL  36           HB       VAL  36  -5.753  -5.536   7.415
  240   1HG1  VAL  36          1HG1      VAL  36  -7.876  -4.601   6.683
  241   2HG1  VAL  36          2HG1      VAL  36  -8.175  -6.028   5.690
  242   3HG1  VAL  36          3HG1      VAL  36  -8.110  -6.174   7.447
  243   1HG2  VAL  36          1HG2      VAL  36  -6.799  -7.965   6.760
  244   2HG2  VAL  36          2HG2      VAL  36  -5.664  -7.694   5.437
  245   3HG2  VAL  36          3HG2      VAL  36  -5.097  -7.659   7.107
  246    H    PHE  37           H        PHE  37  -4.582  -6.929   3.753
  247    HA   PHE  37           HA       PHE  37  -6.937  -7.184   2.065
  248   1HB   PHE  37          2HB       PHE  37  -5.440  -6.866   0.011
  249    HD1  PHE  37           1HD      PHE  37  -3.127  -7.727   0.210
  250    HD2  PHE  37           2HD      PHE  37  -4.320  -4.043   1.974
  251    HE1  PHE  37           1HE      PHE  37  -0.766  -7.077   0.446
  252    HE2  PHE  37           2HE      PHE  37  -1.964  -3.394   2.222
  253    HZ   PHE  37           HZ       PHE  37  -0.183  -4.907   1.450
  254    H    GLU  38           H        GLU  38  -7.050  -9.097   0.960
  255    HA   GLU  38           HA       GLU  38  -4.969 -11.054   1.633
  256   1HB   GLU  38          2HB       GLU  38  -7.242 -11.615   2.428
  257   1HG   GLU  38          2HG       GLU  38  -6.442 -13.417   0.156
  258    H    LEU  39           H        LEU  39  -4.013 -12.236   0.035
  259    HA   LEU  39           HA       LEU  39  -3.530 -10.911  -2.339
  260   1HB   LEU  39          2HB       LEU  39  -3.029 -13.794  -1.606
  261    HG   LEU  39           HG       LEU  39  -1.246 -11.366  -1.534
  262   1HD1  LEU  39          1HD1      LEU  39  -2.099 -11.537   0.573
  263   2HD1  LEU  39          2HD1      LEU  39  -2.334 -13.282   0.460
  264   3HD1  LEU  39          3HD1      LEU  39  -0.717 -12.621   0.722
  265   1HD2  LEU  39          1HD2      LEU  39  -0.099 -14.019  -0.963
  266   2HD2  LEU  39          2HD2      LEU  39  -0.414 -13.651  -2.659
  267   3HD2  LEU  39          3HD2      LEU  39   0.633 -12.598  -1.709
  268    H    GLY  40           H        GLY  40  -4.644 -10.688  -4.117
  269   1HA   GLY  40          1HA       GLY  40  -5.919 -11.215  -5.955
  270   2HA   GLY  40          2HA       GLY  40  -5.958 -12.882  -5.401
  271    H    VAL  41           H        VAL  41  -7.006 -10.214  -3.387
  272    HA   VAL  41           HA       VAL  41  -9.783 -11.105  -3.802
  273    HB   VAL  41           HB       VAL  41  -8.492 -10.157  -1.235
  274   1HG1  VAL  41          1HG1      VAL  41 -11.080  -9.642  -1.956
  275   2HG1  VAL  41          2HG1      VAL  41 -11.232 -11.177  -1.100
  276   3HG1  VAL  41          3HG1      VAL  41 -10.495  -9.790  -0.298
  277   1HG2  VAL  41          1HG2      VAL  41  -9.686 -12.797  -2.061
  278   2HG2  VAL  41          2HG2      VAL  41  -7.989 -12.458  -1.719
  279   3HG2  VAL  41          3HG2      VAL  41  -9.181 -12.395  -0.420
  280    H    ASP  42           H        ASP  42 -11.305  -9.585  -4.136
  281    HA   ASP  42           HA       ASP  42 -10.377  -6.807  -4.442
  282   1HB   ASP  42          2HB       ASP  42 -12.188  -6.502  -6.017
  283    H    PHE  43           H        PHE  43 -11.443  -5.146  -3.412
  284    HA   PHE  43           HA       PHE  43 -13.848  -5.612  -1.880
  285   1HB   PHE  43          2HB       PHE  43 -12.716  -5.183   0.316
  286    HD1  PHE  43           1HD      PHE  43 -10.075  -7.141  -1.259
  287    HD2  PHE  43           2HD      PHE  43 -11.089  -3.387   0.474
  288    HE1  PHE  43           1HE      PHE  43  -7.689  -6.577  -1.101
  289    HE2  PHE  43           2HE      PHE  43  -8.703  -2.815   0.635
  290    HZ   PHE  43           HZ       PHE  43  -6.999  -4.408  -0.155
  291    H    ALA  44           H        ALA  44 -14.708  -3.764  -0.938
  292    HA   ALA  44           HA       ALA  44 -13.510  -1.234  -1.858
  293   1HB   ALA  44          1HB       ALA  44 -16.317  -1.458  -0.848
  294   2HB   ALA  44          2HB       ALA  44 -15.629  -0.316  -2.003
  295   3HB   ALA  44          3HB       ALA  44 -15.928  -1.986  -2.486
  296    H    TYR  45           H        TYR  45 -12.922   0.294  -0.365
  297    HA   TYR  45           HA       TYR  45 -13.819   0.122   2.376
  298   1HB   TYR  45          2HB       TYR  45 -12.000  -1.609   2.181
  299    HD1  TYR  45           1HD      TYR  45  -9.465   0.165   3.515
  300    HD2  TYR  45           2HD      TYR  45 -13.521  -0.759   4.392
  301    HE1  TYR  45           1HE      TYR  45  -9.033   0.561   5.903
  302    HE2  TYR  45           2HE      TYR  45 -13.101  -0.367   6.780
  303    HH   TYR  45           HH       TYR  45 -11.182   1.222   8.055
  304    H    SER  46           H        SER  46 -13.287   1.951   3.605
  305    HA   SER  46           HA       SER  46 -12.331   4.228   2.017
  306   1HB   SER  46          2HB       SER  46 -14.517   4.628   2.930
  307    HG   SER  46           HG       SER  46 -12.959   5.913   4.879
  308    H    LEU  47           H        LEU  47 -10.427   5.056   2.431
  309    HA   LEU  47           HA       LEU  47  -9.007   4.198   4.858
  310   1HB   LEU  47          2HB       LEU  47  -7.928   5.183   2.216
  311    HG   LEU  47           HG       LEU  47  -8.782   2.841   2.111
  312   1HD1  LEU  47          1HD1      LEU  47  -6.004   3.697   1.628
  313   2HD1  LEU  47          2HD1      LEU  47  -6.291   1.957   1.596
  314   3HD1  LEU  47          3HD1      LEU  47  -7.196   3.019   0.517
  315   1HD2  LEU  47          1HD2      LEU  47  -6.522   2.000   3.852
  316   2HD2  LEU  47          2HD2      LEU  47  -8.026   2.522   4.611
  317   3HD2  LEU  47          3HD2      LEU  47  -8.034   1.170   3.480
  318    H    ALA  48           H        ALA  48  -8.439   5.634   6.321
  319    HA   ALA  48           HA       ALA  48  -8.257   7.575   7.473
  320   1HB   ALA  48          1HB       ALA  48  -6.400   8.521   6.734
  321   2HB   ALA  48          2HB       ALA  48  -6.628   7.755   5.162
  322   3HB   ALA  48          3HB       ALA  48  -7.310   9.352   5.473
  323    H    ASP  49           H        ASP  49 -10.808   7.113   6.193
  324    HA   ASP  49           HA       ASP  49 -12.775   8.144   5.703
  325   1HB   ASP  49          2HB       ASP  49 -11.482   9.974   7.697
  326    H    GLY  50           H        GLY  50 -11.090   8.434   3.612
  327   1HA   GLY  50          1HA       GLY  50 -11.996  10.960   2.500
  328   2HA   GLY  50          2HA       GLY  50 -10.254  10.778   2.646
  329    H    THR  51           H        THR  51  -9.765   8.234   1.888
  330    HA   THR  51           HA       THR  51 -10.565   8.315  -0.926
  331    HB   THR  51           HB       THR  51  -8.783   6.654  -1.280
  332    HG1  THR  51           1HG      THR  51  -8.917   5.636   0.785
  333   1HG2  THR  51          1HG2      THR  51  -7.552   8.767   0.444
  334   2HG2  THR  51          2HG2      THR  51  -8.385   9.215  -1.046
  335   3HG2  THR  51          3HG2      THR  51  -6.999   8.123  -1.103
  336    H    GLU  52           H        GLU  52 -12.092   6.968  -1.727
  337    HA   GLU  52           HA       GLU  52 -12.792   4.604  -0.101
  338   1HB   GLU  52          2HB       GLU  52 -14.535   6.077  -2.089
  339   1HG   GLU  52          2HG       GLU  52 -14.369   6.293   0.888
  340    H    LEU  53           H        LEU  53 -11.314   3.234  -1.063
  341    HA   LEU  53           HA       LEU  53 -11.352   3.113  -3.984
  342   1HB   LEU  53          2HB       LEU  53  -9.373   2.268  -1.887
  343    HG   LEU  53           HG       LEU  53  -8.958   3.794  -4.469
  344   1HD1  LEU  53          1HD1      LEU  53  -8.233   5.559  -2.716
  345   2HD1  LEU  53          2HD1      LEU  53  -9.949   5.341  -3.060
  346   3HD1  LEU  53          3HD1      LEU  53  -9.242   4.630  -1.608
  347   1HD2  LEU  53          1HD2      LEU  53  -7.068   2.961  -2.275
  348   2HD2  LEU  53          2HD2      LEU  53  -7.021   2.483  -3.972
  349   3HD2  LEU  53          3HD2      LEU  53  -6.684   4.155  -3.516
  350    H    THR  54           H        THR  54 -12.223   1.504  -5.032
  351    HA   THR  54           HA       THR  54 -12.820  -1.024  -3.627
  352    HB   THR  54           HB       THR  54 -14.027  -0.127  -6.244
  353    HG1  THR  54           1HG      THR  54 -14.428   1.041  -3.945
  354   1HG2  THR  54          1HG2      THR  54 -14.919  -2.142  -4.179
  355   2HG2  THR  54          2HG2      THR  54 -14.174  -2.514  -5.734
  356   3HG2  THR  54          3HG2      THR  54 -15.765  -1.755  -5.676
  357    H    GLY  55           H        GLY  55 -11.208  -2.463  -4.072
  358   1HA   GLY  55          1HA       GLY  55 -10.450  -2.924  -6.816
  359   2HA   GLY  55          2HA       GLY  55  -9.226  -2.088  -5.878
  360    H    THR  56           H        THR  56  -8.634  -4.409  -7.052
  361    HA   THR  56           HA       THR  56  -8.585  -6.363  -4.851
  362    HB   THR  56           HB       THR  56  -9.650  -7.181  -6.946
  363    HG1  THR  56           1HG      THR  56  -8.205  -8.490  -5.449
  364   1HG2  THR  56          1HG2      THR  56  -8.095  -5.798  -8.438
  365   2HG2  THR  56          2HG2      THR  56  -8.509  -7.426  -8.975
  366   3HG2  THR  56          3HG2      THR  56  -6.940  -7.115  -8.234
  367    H    TRP  57           H        TRP  57  -6.605  -7.198  -4.210
  368    HA   TRP  57           HA       TRP  57  -4.217  -5.860  -5.321
  369   1HB   TRP  57          2HB       TRP  57  -4.906  -5.160  -2.985
  370    HD1  TRP  57           HD       TRP  57  -1.956  -7.630  -2.661
  371    HE1  TRP  57           1HE      TRP  57   0.199  -6.258  -2.383
  372    HE3  TRP  57           3HE      TRP  57  -3.887  -2.943  -3.305
  373    HZ2  TRP  57           2HZ      TRP  57   0.979  -3.551  -2.419
  374    HZ3  TRP  57           3HZ      TRP  57  -2.368  -1.014  -3.160
  375    HH2  TRP  57           HH       TRP  57   0.016  -1.315  -2.723
  376    H    THR  58           H        THR  58  -2.516  -7.157  -5.893
  377    HA   THR  58           HA       THR  58  -2.577  -9.972  -5.050
  378    HB   THR  58           HB       THR  58  -1.826 -10.645  -7.334
  379    HG1  THR  58           1HG      THR  58  -1.338  -8.257  -7.803
  380   1HG2  THR  58          1HG2      THR  58  -4.104 -11.066  -6.816
  381   2HG2  THR  58          2HG2      THR  58  -4.082 -10.354  -8.429
  382   3HG2  THR  58          3HG2      THR  58  -4.540  -9.372  -7.037
  383    H    MET  59           H        MET  59  -0.622 -10.838  -4.595
  384    HA   MET  59           HA       MET  59   1.731  -9.122  -5.047
  385   1HB   MET  59          2HB       MET  59   1.510  -9.559  -2.687
  386   1HG   MET  59          2HG       MET  59   3.562 -11.454  -3.817
  387   1HE   MET  59          1HE       MET  59   4.180  -9.350   0.163
  388   2HE   MET  59          2HE       MET  59   3.772  -8.635  -1.396
  389   3HE   MET  59          3HE       MET  59   2.505  -9.336  -0.388
  390    H    GLU  60           H        GLU  60   2.870  -9.730  -6.718
  391    HA   GLU  60           HA       GLU  60   2.869 -12.558  -7.536
  392   1HB   GLU  60          2HB       GLU  60   2.171 -10.867  -9.214
  393   1HG   GLU  60          2HG       GLU  60   4.845 -12.047  -9.915
  394    H    GLY  61           H        GLY  61   4.474 -13.535  -6.391
  395   1HA   GLY  61          1HA       GLY  61   6.588 -14.017  -5.627
  396   2HA   GLY  61          2HA       GLY  61   7.213 -12.930  -6.862
  397    H    ASN  62           H        ASN  62   8.140 -11.133  -6.193
  398    HA   ASN  62           HA       ASN  62   7.394 -10.057  -3.553
  399   1HB   ASN  62          2HB       ASN  62  10.092 -10.089  -4.907
  400   1HD2  ASN  62          1HD2      ASN  62   7.940 -11.590  -2.905
  401   2HD2  ASN  62          2HD2      ASN  62   9.053 -12.437  -1.888
  402    H    LYS  63           H        LYS  63   5.779  -9.404  -5.440
  403    HA   LYS  63           HA       LYS  63   6.425  -6.648  -6.126
  404   1HB   LYS  63          2HB       LYS  63   5.481  -8.756  -8.059
  405   1HG   LYS  63          2HG       LYS  63   6.976  -7.257  -9.584
  406   1HD   LYS  63          2HD       LYS  63   8.151  -9.109  -7.516
  407   1HE   LYS  63          2HE       LYS  63   9.195  -8.136 -10.168
  408   1HZ   LYS  63          1HZ       LYS  63  11.099  -9.653  -9.598
  409   2HZ   LYS  63          2HZ       LYS  63   9.676 -10.423 -10.109
  410   3HZ   LYS  63          3HZ       LYS  63  10.076 -10.392  -8.464
  411    H    LEU  64           H        LEU  64   4.757  -5.316  -5.876
  412    HA   LEU  64           HA       LEU  64   2.255  -6.488  -4.882
  413   1HB   LEU  64          2HB       LEU  64   3.631  -3.853  -4.346
  414    HG   LEU  64           HG       LEU  64   4.536  -5.957  -3.202
  415   1HD1  LEU  64          1HD1      LEU  64   4.924  -3.652  -2.391
  416   2HD1  LEU  64          2HD1      LEU  64   3.438  -3.747  -1.449
  417   3HD1  LEU  64          3HD1      LEU  64   4.791  -4.814  -1.070
  418   1HD2  LEU  64          1HD2      LEU  64   1.927  -5.700  -1.696
  419   2HD2  LEU  64          2HD2      LEU  64   2.333  -6.996  -2.823
  420   3HD2  LEU  64          3HD2      LEU  64   3.252  -6.807  -1.328
  421    H    VAL  65           H        VAL  65   0.856  -6.535  -6.527
  422    HA   VAL  65           HA       VAL  65   0.548  -4.101  -8.165
  423    HB   VAL  65           HB       VAL  65   0.349  -6.966  -9.136
  424   1HG1  VAL  65          1HG1      VAL  65  -1.068  -5.884 -10.568
  425   2HG1  VAL  65          2HG1      VAL  65  -0.243  -4.336 -10.395
  426   3HG1  VAL  65          3HG1      VAL  65   0.465  -5.605 -11.394
  427   1HG2  VAL  65          1HG2      VAL  65   2.575  -6.869  -9.244
  428   2HG2  VAL  65          2HG2      VAL  65   2.340  -5.748 -10.586
  429   3HG2  VAL  65          3HG2      VAL  65   2.603  -5.129  -8.955
  430    H    GLY  66           H        GLY  66  -1.555  -3.499  -8.634
  431   1HA   GLY  66          1HA       GLY  66  -3.756  -5.286  -8.275
  432   2HA   GLY  66          2HA       GLY  66  -3.627  -4.141  -6.946
  433    H    LYS  67           H        LYS  67  -5.716  -3.382  -7.652
  434    HA   LYS  67           HA       LYS  67  -5.460  -1.067  -9.303
  435   1HB   LYS  67          2HB       LYS  67  -5.731  -2.831 -11.035
  436   1HG   LYS  67          2HG       LYS  67  -8.188  -1.111 -10.816
  437   1HD   LYS  67          2HD       LYS  67  -8.206  -2.950 -12.540
  438   1HE   LYS  67          2HE       LYS  67  -6.881  -2.276 -14.638
  439   1HZ   LYS  67          1HZ       LYS  67  -6.406  -4.280 -13.300
  440   2HZ   LYS  67          2HZ       LYS  67  -5.304  -3.384 -12.379
  441   3HZ   LYS  67          3HZ       LYS  67  -5.026  -3.624 -14.030
  442    H    PHE  68           H        PHE  68  -6.538   0.353  -8.114
  443    HA   PHE  68           HA       PHE  68  -9.078  -0.475  -6.881
  444   1HB   PHE  68          2HB       PHE  68  -6.875   1.219  -5.702
  445    HD1  PHE  68           1HD      PHE  68  -5.856  -1.257  -6.040
  446    HD2  PHE  68           2HD      PHE  68  -8.876  -0.155  -3.252
  447    HE1  PHE  68           1HE      PHE  68  -5.278  -3.199  -4.651
  448    HE2  PHE  68           2HE      PHE  68  -8.303  -2.099  -1.859
  449    HZ   PHE  68           HZ       PHE  68  -6.505  -3.628  -2.560
  450    H    LYS  69           H        LYS  69 -10.717   1.027  -6.803
  451    HA   LYS  69           HA       LYS  69 -10.392   3.323  -8.608
  452   1HB   LYS  69          2HB       LYS  69 -11.936   1.661  -9.443
  453   1HG   LYS  69          2HG       LYS  69 -13.733   3.756  -8.276
  454   1HD   LYS  69          2HD       LYS  69 -14.797   1.968  -9.562
  455   1HE   LYS  69          2HE       LYS  69 -12.916   2.840 -11.756
  456   1HZ   LYS  69          1HZ       LYS  69 -14.049   1.014 -13.007
  457   2HZ   LYS  69          2HZ       LYS  69 -14.985   2.408 -12.771
  458   3HZ   LYS  69          3HZ       LYS  69 -15.266   1.031 -11.827
  459    H    ARG  70           H        ARG  70 -10.600   5.305  -7.801
  460    HA   ARG  70           HA       ARG  70 -12.091   5.665  -5.276
  461   1HB   ARG  70          2HB       ARG  70  -9.699   5.907  -4.805
  462   1HG   ARG  70          2HG       ARG  70  -9.784   7.868  -3.606
  463   1HD   ARG  70          2HD       ARG  70 -12.640   7.472  -4.478
  464    HE   ARG  70           HE       ARG  70 -11.584   9.232  -2.439
  465   1HH1  ARG  70          2HH1      ARG  70 -14.358   7.419  -3.632
  466   2HH1  ARG  70          1HH1      ARG  70 -15.509   8.289  -2.657
  467   1HH2  ARG  70          2HH2      ARG  70 -13.112  10.342  -1.123
  468   2HH2  ARG  70          1HH2      ARG  70 -14.802   9.935  -1.220
  469    H    VAL  71           H        VAL  71 -13.907   6.576  -5.994
  470    HA   VAL  71           HA       VAL  71 -14.091   7.991  -8.395
  471    HB   VAL  71           HB       VAL  71 -15.979   6.822  -7.218
  472   1HG1  VAL  71          1HG1      VAL  71 -17.212   7.833  -5.524
  473   2HG1  VAL  71          2HG1      VAL  71 -15.537   8.091  -5.038
  474   3HG1  VAL  71          3HG1      VAL  71 -16.453   9.404  -5.778
  475   1HG2  VAL  71          1HG2      VAL  71 -17.357   7.849  -8.636
  476   2HG2  VAL  71          2HG2      VAL  71 -17.163   9.408  -7.829
  477   3HG2  VAL  71          3HG2      VAL  71 -15.984   8.883  -9.031
  478    H    ASP  72           H        ASP  72 -13.590   9.267  -5.117
  479    HA   ASP  72           HA       ASP  72 -14.368  11.886  -5.580
  480   1HB   ASP  72          2HB       ASP  72 -13.602  10.849  -3.376
  481    H    ASN  73           H        ASN  73 -11.219  10.418  -6.283
  482    HA   ASN  73           HA       ASN  73 -10.141  12.956  -7.168
  483   1HB   ASN  73          2HB       ASN  73  -8.957  10.177  -7.203
  484   1HD2  ASN  73          1HD2      ASN  73  -8.012   9.590  -5.364
  485   2HD2  ASN  73          2HD2      ASN  73  -7.762  10.620  -3.992
  486    H    GLY  74           H        GLY  74 -10.733   9.813  -8.737
  487   1HA   GLY  74          1HA       GLY  74 -11.829  10.936 -11.078
  488   2HA   GLY  74          2HA       GLY  74 -10.118  10.623 -11.340
  489    H    LYS  75           H        LYS  75 -12.314   8.815  -9.332
  490    HA   LYS  75           HA       LYS  75 -12.750   6.645  -9.111
  491   1HB   LYS  75          2HB       LYS  75 -13.777   5.512 -11.012
  492   1HG   LYS  75          2HG       LYS  75 -12.921   7.919 -12.596
  493   1HD   LYS  75          2HD       LYS  75 -14.855   5.761 -13.424
  494   1HE   LYS  75          2HE       LYS  75 -14.029   8.333 -14.762
  495   1HZ   LYS  75          1HZ       LYS  75 -15.381   6.330 -16.316
  496   2HZ   LYS  75          2HZ       LYS  75 -15.636   8.004 -16.245
  497   3HZ   LYS  75          3HZ       LYS  75 -16.354   6.986 -15.093
  498    H    GLU  76           H        GLU  76 -10.022   7.213  -9.364
  499    HA   GLU  76           HA       GLU  76  -9.084   4.538  -9.760
  500   1HB   GLU  76          2HB       GLU  76  -7.995   6.733 -11.540
  501   1HG   GLU  76          2HG       GLU  76  -9.175   4.051 -12.198
  502    H    LEU  77           H        LEU  77  -7.483   4.116  -8.405
  503    HA   LEU  77           HA       LEU  77  -5.404   5.871  -7.749
  504   1HB   LEU  77          2HB       LEU  77  -7.395   6.720  -6.299
  505    HG   LEU  77           HG       LEU  77  -5.004   7.364  -5.837
  506   1HD1  LEU  77          1HD1      LEU  77  -6.138   8.654  -4.428
  507   2HD1  LEU  77          2HD1      LEU  77  -7.272   7.364  -4.032
  508   3HD1  LEU  77          3HD1      LEU  77  -5.734   7.477  -3.179
  509   1HD2  LEU  77          1HD2      LEU  77  -3.607   6.106  -4.617
  510   2HD2  LEU  77          2HD2      LEU  77  -4.861   5.683  -3.453
  511   3HD2  LEU  77          3HD2      LEU  77  -4.720   4.783  -4.961
  512    H    ILE  78           H        ILE  78  -3.962   4.283  -8.042
  513    HA   ILE  78           HA       ILE  78  -4.468   1.706  -6.697
  514    HB   ILE  78           HB       ILE  78  -2.797   2.112  -9.182
  515   1HG1  ILE  78          2HG1      ILE  78  -5.699   1.259  -8.998
  516   1HG2  ILE  78          1HG2      ILE  78  -3.402  -0.142  -7.473
  517   2HG2  ILE  78          2HG2      ILE  78  -3.873  -0.447  -9.147
  518   3HG2  ILE  78          3HG2      ILE  78  -2.212   0.006  -8.767
  519   1HD1  ILE  78          1HD1      ILE  78  -5.075   1.879 -11.630
  520   2HD1  ILE  78          2HD1      ILE  78  -3.749   0.856 -11.075
  521   3HD1  ILE  78          3HD1      ILE  78  -5.413   0.282 -10.961
  522    H    ALA  79           H        ALA  79  -2.422   0.452  -6.235
  523    HA   ALA  79           HA       ALA  79  -0.075   2.145  -5.837
  524   1HB   ALA  79          1HB       ALA  79   0.136   0.713  -3.591
  525   2HB   ALA  79          2HB       ALA  79  -0.665   2.283  -3.645
  526   3HB   ALA  79          3HB       ALA  79  -1.622   0.803  -3.690
  527    H    VAL  80           H        VAL  80   1.465   1.160  -6.973
  528    HA   VAL  80           HA       VAL  80   1.628  -1.783  -6.898
  529    HB   VAL  80           HB       VAL  80   2.009  -0.067  -9.365
  530   1HG1  VAL  80          1HG1      VAL  80   3.037  -1.789 -10.312
  531   2HG1  VAL  80          2HG1      VAL  80   3.042  -2.598  -8.744
  532   3HG1  VAL  80          3HG1      VAL  80   1.715  -2.871  -9.873
  533   1HG2  VAL  80          1HG2      VAL  80  -0.173  -2.077  -8.837
  534   2HG2  VAL  80          2HG2      VAL  80  -0.367  -0.335  -8.636
  535   3HG2  VAL  80          3HG2      VAL  80  -0.011  -1.004 -10.227
  536    H    ARG  81           H        ARG  81   3.641  -2.530  -6.431
  537    HA   ARG  81           HA       ARG  81   5.982  -1.193  -7.317
  538   1HB   ARG  81          2HB       ARG  81   5.291   0.213  -5.328
  539   1HG   ARG  81          2HG       ARG  81   7.557   0.160  -4.245
  540   1HD   ARG  81          2HD       ARG  81   7.267   0.325  -7.229
  541    HE   ARG  81           HE       ARG  81   9.721   0.457  -5.777
  542   1HH1  ARG  81          2HH1      ARG  81   7.986   1.615  -8.562
  543   2HH1  ARG  81          1HH1      ARG  81   9.373   2.371  -9.292
  544   1HH2  ARG  81          2HH2      ARG  81  11.577   1.441  -6.724
  545   2HH2  ARG  81          1HH2      ARG  81  11.411   2.291  -8.231
  546    H    GLU  82           H        GLU  82   7.871  -2.372  -7.022
  547    HA   GLU  82           HA       GLU  82   7.484  -5.098  -5.998
  548   1HB   GLU  82          2HB       GLU  82   9.479  -5.697  -7.349
  549   1HG   GLU  82          2HG       GLU  82  10.391  -3.319  -7.462
  550    H    ILE  83           H        ILE  83   9.513  -6.035  -4.997
  551    HA   ILE  83           HA       ILE  83  10.671  -4.011  -3.181
  552    HB   ILE  83           HB       ILE  83  10.897  -7.013  -2.887
  553   1HG1  ILE  83          2HG1      ILE  83   8.525  -6.603  -2.971
  554   1HG2  ILE  83          1HG2      ILE  83  11.215  -6.448  -0.511
  555   2HG2  ILE  83          2HG2      ILE  83  12.431  -5.710  -1.553
  556   3HG2  ILE  83          3HG2      ILE  83  11.102  -4.736  -0.923
  557   1HD1  ILE  83          1HD1      ILE  83   7.430  -5.084  -1.340
  558   2HD1  ILE  83          2HD1      ILE  83   9.015  -4.380  -1.016
  559   3HD1  ILE  83          3HD1      ILE  83   8.314  -4.264  -2.630
  560    H    SER  84           H        SER  84  12.730  -3.401  -3.615
  561    HA   SER  84           HA       SER  84  14.424  -5.215  -5.208
  562   1HB   SER  84          2HB       SER  84  13.897  -3.041  -6.294
  563    HG   SER  84           HG       SER  84  16.600  -2.847  -5.562
  564    H    GLY  85           H        GLY  85  16.219  -6.022  -4.278
  565   1HA   GLY  85          1HA       GLY  85  17.746  -6.502  -2.618
  566   2HA   GLY  85          2HA       GLY  85  17.780  -4.777  -2.251
  567    H    ASN  86           H        ASN  86  17.263  -4.393  -0.202
  568    HA   ASN  86           HA       ASN  86  14.709  -5.491   0.613
  569   1HB   ASN  86          2HB       ASN  86  16.489  -6.734   1.905
  570   1HD2  ASN  86          1HD2      ASN  86  15.167  -7.898   3.051
  571   2HD2  ASN  86          2HD2      ASN  86  14.006  -7.319   4.196
  572    H    GLU  87           H        GLU  87  13.769  -3.660   0.050
  573    HA   GLU  87           HA       GLU  87  13.562  -1.651   1.968
  574   1HB   GLU  87          2HB       GLU  87  14.291   0.320   0.760
  575   1HG   GLU  87          2HG       GLU  87  15.436  -1.476  -1.359
  576    H    LEU  88           H        LEU  88  11.736  -0.250   1.443
  577    HA   LEU  88           HA       LEU  88  10.186  -1.351  -0.788
  578   1HB   LEU  88          2HB       LEU  88   9.224  -2.040   1.330
  579    HG   LEU  88           HG       LEU  88   7.632   0.074  -0.105
  580   1HD1  LEU  88          1HD1      LEU  88   6.335  -1.981  -0.794
  581   2HD1  LEU  88          2HD1      LEU  88   7.944  -1.778  -1.487
  582   3HD1  LEU  88          3HD1      LEU  88   7.691  -2.918  -0.164
  583   1HD2  LEU  88          1HD2      LEU  88   6.863  -1.636   2.238
  584   2HD2  LEU  88          2HD2      LEU  88   6.660   0.104   2.032
  585   3HD2  LEU  88          3HD2      LEU  88   5.666  -1.017   1.100
  586    H    ILE  89           H        ILE  89   9.547  -0.011  -2.263
  587    HA   ILE  89           HA       ILE  89   9.488   2.870  -1.691
  588    HB   ILE  89           HB       ILE  89   9.587   1.523  -4.406
  589   1HG1  ILE  89          2HG1      ILE  89  11.873   2.792  -4.450
  590   1HG2  ILE  89          1HG2      ILE  89   9.916   4.443  -3.748
  591   2HG2  ILE  89          2HG2      ILE  89   9.814   3.707  -5.348
  592   3HG2  ILE  89          3HG2      ILE  89   8.404   3.716  -4.289
  593   1HD1  ILE  89          1HD1      ILE  89  12.517   0.670  -4.563
  594   2HD1  ILE  89          2HD1      ILE  89  12.750   0.769  -2.817
  595   3HD1  ILE  89          3HD1      ILE  89  11.239   0.138  -3.470
  596    H    GLN  90           H        GLN  90   7.532   3.949  -2.235
  597    HA   GLN  90           HA       GLN  90   5.273   2.091  -2.624
  598   1HB   GLN  90          2HB       GLN  90   5.516   2.933  -0.317
  599   1HG   GLN  90          2HG       GLN  90   3.119   4.056  -1.745
  600   1HE2  GLN  90          1HE2      GLN  90   2.382   2.282   0.923
  601   2HE2  GLN  90          2HE2      GLN  90   2.176   3.567   2.073
  602    H    THR  91           H        THR  91   4.311   2.441  -4.504
  603    HA   THR  91           HA       THR  91   4.277   5.166  -5.584
  604    HB   THR  91           HB       THR  91   3.451   3.111  -7.459
  605    HG1  THR  91           1HG      THR  91   4.969   1.684  -7.113
  606   1HG2  THR  91          1HG2      THR  91   5.016   5.524  -7.363
  607   2HG2  THR  91          2HG2      THR  91   4.248   4.738  -8.744
  608   3HG2  THR  91          3HG2      THR  91   5.873   4.264  -8.252
  609    H    TYR  92           H        TYR  92   2.453   6.176  -5.949
  610    HA   TYR  92           HA       TYR  92  -0.099   4.735  -5.709
  611   1HB   TYR  92          2HB       TYR  92   0.531   7.696  -5.508
  612    HD1  TYR  92           1HD      TYR  92   1.953   6.242  -3.571
  613    HD2  TYR  92           2HD      TYR  92  -2.203   7.141  -3.614
  614    HE1  TYR  92           1HE      TYR  92   1.891   6.048  -1.120
  615    HE2  TYR  92           2HE      TYR  92  -2.279   6.947  -1.166
  616    HH   TYR  92           HH       TYR  92  -0.447   5.474   0.633
  617    H    THR  93           H        THR  93  -0.891   4.204  -7.576
  618    HA   THR  93           HA       THR  93   0.273   5.373  -9.955
  619    HB   THR  93           HB       THR  93  -0.753   2.782  -9.104
  620    HG1  THR  93           1HG      THR  93   1.386   3.860 -10.415
  621   1HG2  THR  93          1HG2      THR  93  -1.450   2.001 -11.302
  622   2HG2  THR  93          2HG2      THR  93  -1.270   3.632 -11.952
  623   3HG2  THR  93          3HG2      THR  93  -2.502   3.298 -10.734
  624    H    TYR  94           H        TYR  94  -0.778   6.599 -11.361
  625    HA   TYR  94           HA       TYR  94  -3.619   6.585 -11.667
  626   1HB   TYR  94          2HB       TYR  94  -3.181   7.819  -9.509
  627    HD1  TYR  94           1HD      TYR  94  -3.369  10.846 -11.308
  628    HD2  TYR  94           2HD      TYR  94  -5.686   7.450 -10.175
  629    HE1  TYR  94           1HE      TYR  94  -5.425  12.133 -11.689
  630    HE2  TYR  94           2HE      TYR  94  -7.748   8.738 -10.567
  631    HH   TYR  94           HH       TYR  94  -8.315  10.905 -12.158
  632    H    GLU  95           H        GLU  95  -4.368   7.847 -13.384
  633    HA   GLU  95           HA       GLU  95  -4.219   8.554 -15.544
  634   1HB   GLU  95          2HB       GLU  95  -3.672  10.662 -14.238
  635   1HG   GLU  95          2HG       GLU  95  -2.783  11.947 -16.126
  636    H    GLY  96           H        GLY  96  -3.083   6.250 -15.177
  637   1HA   GLY  96          1HA       GLY  96  -1.517   5.141 -16.816
  638   2HA   GLY  96          2HA       GLY  96  -0.378   6.389 -16.317
  639    H    VAL  97           H        VAL  97   0.766   6.110 -14.515
  640    HA   VAL  97           HA       VAL  97   0.118   4.540 -12.315
  641    HB   VAL  97           HB       VAL  97   2.038   2.794 -12.644
  642   1HG1  VAL  97          1HG1      VAL  97  -0.611   2.542 -14.023
  643   2HG1  VAL  97          2HG1      VAL  97   0.557   1.221 -13.990
  644   3HG1  VAL  97          3HG1      VAL  97  -0.095   1.859 -12.482
  645   1HG2  VAL  97          1HG2      VAL  97   1.720   3.852 -15.399
  646   2HG2  VAL  97          2HG2      VAL  97   3.163   3.283 -14.560
  647   3HG2  VAL  97          3HG2      VAL  97   2.001   2.121 -15.204
  648    H    GLU  98           H        GLU  98   1.133   6.575 -11.331
  649    HA   GLU  98           HA       GLU  98   3.451   5.823 -10.230
  650   1HB   GLU  98          2HB       GLU  98   5.262   7.175 -11.036
  651   1HG   GLU  98          2HG       GLU  98   3.716   7.882 -13.492
  652    H    ALA  99           H        ALA  99   3.811   6.694  -8.427
  653    HA   ALA  99           HA       ALA  99   4.216   9.394  -7.974
  654   1HB   ALA  99          1HB       ALA  99   2.371   9.437  -6.026
  655   2HB   ALA  99          2HB       ALA  99   2.057  10.067  -7.643
  656   3HB   ALA  99          3HB       ALA  99   1.507   8.450  -7.204
  657    H    LYS 100           H        LYS 100   6.109   8.793  -6.934
  658    HA   LYS 100           HA       LYS 100   5.778   6.680  -4.915
  659   1HB   LYS 100          2HB       LYS 100   8.158   6.039  -5.655
  660   1HG   LYS 100          2HG       LYS 100   7.405   8.015  -7.732
  661   1HD   LYS 100          2HD       LYS 100   9.114   5.623  -8.367
  662   1HE   LYS 100          2HE       LYS 100   7.947   7.878  -9.982
  663   1HZ   LYS 100          1HZ       LYS 100   7.970   5.491 -10.991
  664   2HZ   LYS 100          2HZ       LYS 100   9.629   5.792 -11.177
  665   3HZ   LYS 100          3HZ       LYS 100   8.497   6.815 -11.908
  666    H    ARG 101           H        ARG 101   6.770   6.619  -3.101
  667    HA   ARG 101           HA       ARG 101   8.783   8.645  -2.416
  668   1HB   ARG 101          2HB       ARG 101   6.618   9.180  -1.295
  669   1HG   ARG 101          2HG       ARG 101   7.338   9.189   1.048
  670   1HD   ARG 101          2HD       ARG 101   9.612   9.830  -0.822
  671    HE   ARG 101           HE       ARG 101   9.297  10.341   1.940
  672   1HH1  ARG 101          2HH1      ARG 101  10.290  11.895  -1.039
  673   2HH1  ARG 101          1HH1      ARG 101  11.340  13.035  -0.249
  674   1HH2  ARG 101          2HH2      ARG 101  10.663  11.857   2.997
  675   2HH2  ARG 101          1HH2      ARG 101  11.555  13.014   2.045
  676    H    ILE 102           H        ILE 102  10.536   7.775  -1.190
  677    HA   ILE 102           HA       ILE 102  10.647   4.859  -1.401
  678    HB   ILE 102           HB       ILE 102  12.922   6.803  -0.988
  679   1HG1  ILE 102          2HG1      ILE 102  11.990   5.461  -3.538
  680   1HG2  ILE 102          1HG2      ILE 102  13.021   4.214  -0.420
  681   2HG2  ILE 102          2HG2      ILE 102  13.286   4.100  -2.161
  682   3HG2  ILE 102          3HG2      ILE 102  14.378   5.058  -1.163
  683   1HD1  ILE 102          1HD1      ILE 102  13.562   7.264  -4.513
  684   2HD1  ILE 102          2HD1      ILE 102  14.316   7.223  -2.920
  685   3HD1  ILE 102          3HD1      ILE 102  14.245   5.758  -3.901
  686    H    PHE 103           H        PHE 103  10.672   3.576   0.293
  687    HA   PHE 103           HA       PHE 103  11.367   4.694   2.922
  688   1HB   PHE 103          2HB       PHE 103   9.320   2.525   2.398
  689    HD1  PHE 103           1HD      PHE 103   9.425   5.844   4.087
  690    HD2  PHE 103           2HD      PHE 103   7.493   3.324   1.257
  691    HE1  PHE 103           1HE      PHE 103   7.695   7.560   3.747
  692    HE2  PHE 103           2HE      PHE 103   5.755   5.034   0.915
  693    HZ   PHE 103           HZ       PHE 103   5.858   7.155   2.158
  694    H    LYS 104           H        LYS 104  12.038   2.877   4.473
  695    HA   LYS 104           HA       LYS 104  13.431   0.729   3.062
  696   1HB   LYS 104          2HB       LYS 104  15.590   1.276   3.914
  697   1HG   LYS 104          2HG       LYS 104  14.789   2.203   6.127
  698   1HD   LYS 104          2HD       LYS 104  13.315   3.972   5.108
  699   1HE   LYS 104          2HE       LYS 104  14.817   6.154   4.849
  700   1HZ   LYS 104          1HZ       LYS 104  14.731   4.504   2.435
  701   2HZ   LYS 104          2HZ       LYS 104  14.277   6.127   2.666
  702   3HZ   LYS 104          3HZ       LYS 104  13.260   4.879   3.189
  703    H    LYS 105           H        LYS 105  14.208  -0.949   4.464
  704    HA   LYS 105           HA       LYS 105  12.343  -1.618   6.435
  705   1HB   LYS 105          2HB       LYS 105  14.077  -3.058   5.034
  706   1HG   LYS 105          2HG       LYS 105  12.277  -4.023   6.421
  707   1HD   LYS 105          2HD       LYS 105  14.328  -4.091   8.626
  708   1HE   LYS 105          2HE       LYS 105  12.382  -4.827   9.971
  709   1HZ   LYS 105          1HZ       LYS 105  12.259  -6.902   8.062
  710   2HZ   LYS 105          2HZ       LYS 105  13.035  -6.879   9.569
  711   3HZ   LYS 105          3HZ       LYS 105  13.855  -6.339   8.187
  712    H    GLU 106           H        GLU 106  12.183  -1.118   8.503
  713    HA   GLU 106           HA       GLU 106  14.477   0.120   9.868
  714   1HB   GLU 106          2HB       GLU 106  12.501   1.580   9.704
  715   1HG   GLU 106          2HG       GLU 106  12.121   2.117  12.023
  Start of MODEL   10
    1   1H    ALA   1          1H        ALA   1   5.030 -10.501   1.838
    2   2H    ALA   1          2H        ALA   1   4.783  -8.855   2.148
    3   3H    ALA   1          3H        ALA   1   3.541  -9.788   1.471
    4    HA   ALA   1           HA       ALA   1   2.877 -10.612   3.424
    5   1HB   ALA   1          1HB       ALA   1   4.473 -11.331   5.157
    6   2HB   ALA   1          2HB       ALA   1   4.871 -11.997   3.572
    7   3HB   ALA   1          3HB       ALA   1   5.792 -10.637   4.214
    8    H    PHE   2           H        PHE   2   1.687  -9.072   4.517
    9    HA   PHE   2           HA       PHE   2   3.131  -6.663   5.441
   10   1HB   PHE   2          2HB       PHE   2   0.318  -6.889   4.362
   11    HD1  PHE   2           1HD      PHE   2  -0.092  -5.920   2.098
   12    HD2  PHE   2           2HD      PHE   2   3.785  -6.301   3.709
   13    HE1  PHE   2           1HE      PHE   2   0.876  -5.479  -0.131
   14    HE2  PHE   2           2HE      PHE   2   4.810  -5.848   1.544
   15    HZ   PHE   2           HZ       PHE   2   3.327  -5.447  -0.422
   16    H    ASP   3           H        ASP   3   2.922  -5.970   7.466
   17    HA   ASP   3           HA       ASP   3   1.355  -5.771   9.525
   18   1HB   ASP   3          2HB       ASP   3   1.462  -8.624   8.886
   19    H    GLY   4           H        GLY   4   3.936  -4.903   8.978
   20   1HA   GLY   4          1HA       GLY   4   5.499  -5.532  11.345
   21   2HA   GLY   4          2HA       GLY   4   6.190  -6.161   9.849
   22    H    THR   5           H        THR   5   7.720  -4.147  11.214
   23    HA   THR   5           HA       THR   5   6.707  -1.698   9.959
   24    HB   THR   5           HB       THR   5   8.542  -0.635  11.480
   25    HG1  THR   5           1HG      THR   5   9.463  -1.930  12.899
   26   1HG2  THR   5          1HG2      THR   5   6.027  -0.597  11.749
   27   2HG2  THR   5          2HG2      THR   5   6.953  -0.466  13.245
   28   3HG2  THR   5          3HG2      THR   5   6.201  -1.999  12.806
   29    H    TRP   6           H        TRP   6   7.479  -0.797   8.217
   30    HA   TRP   6           HA       TRP   6  10.400  -0.632   7.849
   31   1HB   TRP   6          2HB       TRP   6   8.920  -0.394   5.303
   32    HD1  TRP   6           HD       TRP   6   7.261  -2.652   6.913
   33    HE1  TRP   6           1HE      TRP   6   6.989  -4.935   5.722
   34    HE3  TRP   6           3HE      TRP   6  11.235  -2.428   3.685
   35    HZ2  TRP   6           2HZ      TRP   6   8.276  -6.424   3.792
   36    HZ3  TRP   6           3HZ      TRP   6  11.599  -4.348   2.177
   37    HH2  TRP   6           HH       TRP   6  10.161  -6.298   2.239
   38    H    LYS   7           H        LYS   7  10.756   1.587   8.160
   39    HA   LYS   7           HA       LYS   7   9.513   3.397   6.420
   40   1HB   LYS   7          2HB       LYS   7   7.710   2.881   8.267
   41   1HG   LYS   7          2HG       LYS   7   6.741   5.088   8.047
   42   1HD   LYS   7          2HD       LYS   7   8.148   4.428   5.467
   43   1HE   LYS   7          2HE       LYS   7   6.695   6.501   5.643
   44   1HZ   LYS   7          1HZ       LYS   7   4.646   6.329   6.407
   45   2HZ   LYS   7          2HZ       LYS   7   4.851   4.674   6.689
   46   3HZ   LYS   7          3HZ       LYS   7   4.251   5.214   5.195
   47    H    VAL   8           H        VAL   8   9.925   5.719   7.018
   48    HA   VAL   8           HA       VAL   8  12.656   5.947   8.068
   49    HB   VAL   8           HB       VAL   8  11.081   7.989   6.481
   50   1HG1  VAL   8          1HG1      VAL   8  14.065   7.778   6.667
   51   2HG1  VAL   8          2HG1      VAL   8  13.077   9.154   6.184
   52   3HG1  VAL   8          3HG1      VAL   8  13.125   8.653   7.874
   53   1HG2  VAL   8          1HG2      VAL   8  13.190   6.679   5.001
   54   2HG2  VAL   8          2HG2      VAL   8  11.961   5.532   5.532
   55   3HG2  VAL   8          3HG2      VAL   8  11.499   6.936   4.570
   56    H    GLY   9           H        GLY   9  13.123   7.418   9.693
   57   1HA   GLY   9          1HA       GLY   9  11.436   7.658  11.790
   58   2HA   GLY   9          2HA       GLY   9  12.757   8.779  11.513
   59    H    GLY  10           H        GLY  10   9.684   8.704  12.311
   60   1HA   GLY  10          1HA       GLY  10   8.517  10.866  12.489
   61   2HA   GLY  10          2HA       GLY  10   9.017  11.171  10.827
   62    H    LEU  11           H        LEU  11   8.534   8.429   9.996
   63    HA   LEU  11           HA       LEU  11   5.580   8.440  10.008
   64   1HB   LEU  11          2HB       LEU  11   7.273   7.315   7.792
   65    HG   LEU  11           HG       LEU  11   7.815   9.722   7.864
   66   1HD1  LEU  11          1HD1      LEU  11   5.971   9.041   5.583
   67   2HD1  LEU  11          2HD1      LEU  11   7.326  10.172   5.571
   68   3HD1  LEU  11          3HD1      LEU  11   7.624   8.442   5.742
   69   1HD2  LEU  11          1HD2      LEU  11   6.232  11.123   8.578
   70   2HD2  LEU  11          2HD2      LEU  11   5.486  10.948   6.989
   71   3HD2  LEU  11          3HD2      LEU  11   4.958   9.930   8.329
   72    H    LYS  12           H        LYS  12   4.668   6.250   9.533
   73    HA   LYS  12           HA       LYS  12   6.426   4.047  10.307
   74   1HB   LYS  12          2HB       LYS  12   4.457   3.055  11.604
   75   1HG   LYS  12          2HG       LYS  12   3.528   5.906  11.488
   76   1HD   LYS  12          2HD       LYS  12   1.826   5.229  13.116
   77   1HE   LYS  12          2HE       LYS  12   4.611   4.703  14.141
   78   1HZ   LYS  12          1HZ       LYS  12   3.787   5.485  16.215
   79   2HZ   LYS  12          2HZ       LYS  12   2.757   4.241  15.696
   80   3HZ   LYS  12          3HZ       LYS  12   2.272   5.864  15.549
   81    H    LEU  13           H        LEU  13   5.897   2.061   9.362
   82    HA   LEU  13           HA       LEU  13   3.559   1.905   7.654
   83   1HB   LEU  13          2HB       LEU  13   5.607   2.908   6.350
   84    HG   LEU  13           HG       LEU  13   3.618   2.232   5.099
   85   1HD1  LEU  13          1HD1      LEU  13   6.293   2.132   4.152
   86   2HD1  LEU  13          2HD1      LEU  13   5.348   0.913   3.290
   87   3HD1  LEU  13          3HD1      LEU  13   4.829   2.601   3.285
   88   1HD2  LEU  13          1HD2      LEU  13   3.667  -0.146   6.109
   89   2HD2  LEU  13          2HD2      LEU  13   3.110   0.071   4.448
   90   3HD2  LEU  13          3HD2      LEU  13   4.744  -0.516   4.760
   91    H    THR  14           H        THR  14   2.742   0.031   8.018
   92    HA   THR  14           HA       THR  14   4.420  -2.045   9.136
   93    HB   THR  14           HB       THR  14   1.495  -1.486   9.378
   94    HG1  THR  14           1HG      THR  14   3.625  -0.748  10.720
   95   1HG2  THR  14          1HG2      THR  14   1.059  -3.477  10.411
   96   2HG2  THR  14          2HG2      THR  14   2.737  -3.707  10.907
   97   3HG2  THR  14          3HG2      THR  14   2.259  -4.015   9.235
   98    H    ILE  15           H        ILE  15   4.960  -3.672   8.046
   99    HA   ILE  15           HA       ILE  15   3.207  -5.094   6.251
  100    HB   ILE  15           HB       ILE  15   5.676  -3.659   5.438
  101   1HG1  ILE  15          2HG1      ILE  15   3.035  -4.004   4.034
  102   1HG2  ILE  15          1HG2      ILE  15   6.502  -5.353   4.347
  103   2HG2  ILE  15          2HG2      ILE  15   5.074  -6.340   4.708
  104   3HG2  ILE  15          3HG2      ILE  15   5.097  -5.280   3.285
  105   1HD1  ILE  15          1HD1      ILE  15   3.855  -3.011   2.246
  106   2HD1  ILE  15          2HD1      ILE  15   4.511  -1.696   3.222
  107   3HD1  ILE  15          3HD1      ILE  15   5.465  -3.155   2.951
  108    H    THR  16           H        THR  16   3.566  -7.104   7.285
  109    HA   THR  16           HA       THR  16   5.685  -8.500   6.649
  110    HB   THR  16           HB       THR  16   6.456  -7.060   8.915
  111    HG1  THR  16           1HG      THR  16   8.278  -8.728   8.769
  112   1HG2  THR  16          1HG2      THR  16   5.188  -8.696  10.290
  113   2HG2  THR  16          2HG2      THR  16   6.922  -8.672  10.633
  114   3HG2  THR  16          3HG2      THR  16   6.233  -9.974   9.661
  115    H    GLN  17           H        GLN  17   4.598 -10.348   6.226
  116    HA   GLN  17           HA       GLN  17   2.395 -10.956   8.020
  117   1HB   GLN  17          2HB       GLN  17   1.966 -10.635   5.639
  118   1HG   GLN  17          2HG       GLN  17   0.319 -12.365   5.639
  119   1HE2  GLN  17          1HE2      GLN  17   1.063  -9.939   7.285
  120   2HE2  GLN  17          2HE2      GLN  17   0.016 -10.027   8.663
  121    H    GLU  18           H        GLU  18   1.796 -13.099   8.559
  122    HA   GLU  18           HA       GLU  18   3.722 -14.851   9.555
  123   1HB   GLU  18          2HB       GLU  18   1.783 -16.480   9.620
  124   1HG   GLU  18          2HG       GLU  18  -0.483 -15.254   9.424
  125    H    GLY  19           H        GLY  19   2.043 -14.750   6.478
  126   1HA   GLY  19          1HA       GLY  19   4.140 -16.094   5.130
  127   2HA   GLY  19          2HA       GLY  19   2.773 -17.177   5.374
  128    H    ASN  20           H        ASN  20   0.614 -15.676   5.049
  129    HA   ASN  20           HA       ASN  20   0.885 -13.915   2.759
  130   1HB   ASN  20          2HB       ASN  20  -0.654 -16.515   2.564
  131   1HD2  ASN  20          1HD2      ASN  20  -0.142 -15.246  -0.377
  132   2HD2  ASN  20          2HD2      ASN  20   1.357 -16.006  -0.795
  133    H    LYS  21           H        LYS  21   0.111 -12.381   4.179
  134    HA   LYS  21           HA       LYS  21  -2.700 -11.964   4.098
  135   1HB   LYS  21          2HB       LYS  21  -1.468 -12.959   6.660
  136   1HG   LYS  21          2HG       LYS  21  -4.376 -12.808   5.858
  137   1HD   LYS  21          2HD       LYS  21  -2.908 -14.571   7.817
  138   1HE   LYS  21          2HE       LYS  21  -4.953 -15.527   6.719
  139   1HZ   LYS  21          1HZ       LYS  21  -6.998 -14.445   8.031
  140   2HZ   LYS  21          2HZ       LYS  21  -6.588 -14.029   6.439
  141   3HZ   LYS  21          3HZ       LYS  21  -6.081 -13.050   7.728
  142    H    PHE  22           H        PHE  22  -2.864  -9.803   3.926
  143    HA   PHE  22           HA       PHE  22  -0.374  -8.329   4.416
  144   1HB   PHE  22          2HB       PHE  22  -2.397  -8.223   2.180
  145    HD1  PHE  22           1HD      PHE  22  -1.000  -7.936  -0.079
  146    HD2  PHE  22           2HD      PHE  22   0.359  -9.966   3.427
  147    HE1  PHE  22           1HE      PHE  22   0.570  -9.239  -1.445
  148    HE2  PHE  22           2HE      PHE  22   1.922 -11.261   2.048
  149    HZ   PHE  22           HZ       PHE  22   2.033 -10.905  -0.379
  150    H    THR  23           H        THR  23  -0.659  -7.145   6.138
  151    HA   THR  23           HA       THR  23  -2.837  -5.153   6.060
  152    HB   THR  23           HB       THR  23  -1.382  -6.371   8.387
  153    HG1  THR  23           1HG      THR  23  -3.920  -5.761   8.884
  154   1HG2  THR  23          1HG2      THR  23  -2.195  -4.558   9.833
  155   2HG2  THR  23          2HG2      THR  23  -2.750  -3.685   8.403
  156   3HG2  THR  23          3HG2      THR  23  -1.023  -3.984   8.640
  157    H    VAL  24           H        VAL  24  -2.098  -3.337   5.190
  158    HA   VAL  24           HA       VAL  24   0.756  -2.676   5.532
  159    HB   VAL  24           HB       VAL  24  -1.254  -1.553   3.545
  160   1HG1  VAL  24          1HG1      VAL  24   1.717  -1.092   3.574
  161   2HG1  VAL  24          2HG1      VAL  24   0.490  -0.264   2.614
  162   3HG1  VAL  24          3HG1      VAL  24   0.576   0.004   4.355
  163   1HG2  VAL  24          1HG2      VAL  24  -0.390  -2.907   1.929
  164   2HG2  VAL  24          2HG2      VAL  24   1.170  -3.061   2.738
  165   3HG2  VAL  24          3HG2      VAL  24  -0.224  -3.963   3.332
  166    H    LYS  25           H        LYS  25   1.176  -1.157   6.985
  167    HA   LYS  25           HA       LYS  25  -1.036   0.667   7.745
  168   1HB   LYS  25          2HB       LYS  25   0.045  -0.570   9.586
  169   1HG   LYS  25          2HG       LYS  25   0.572   2.390   9.632
  170   1HD   LYS  25          2HD       LYS  25   0.786   0.281  11.762
  171   1HE   LYS  25          2HE       LYS  25   0.991   2.205  13.359
  172   1HZ   LYS  25          1HZ       LYS  25  -0.981   1.101  13.627
  173   2HZ   LYS  25          2HZ       LYS  25  -1.546   1.451  12.070
  174   3HZ   LYS  25          3HZ       LYS  25  -1.543   2.658  13.263
  175    H    GLU  26           H        GLU  26  -1.033   2.475   6.615
  176    HA   GLU  26           HA       GLU  26   1.555   3.591   5.784
  177   1HB   GLU  26          2HB       GLU  26  -0.204   3.071   4.053
  178   1HG   GLU  26          2HG       GLU  26   0.125   5.028   2.750
  179    H    SER  27           H        SER  27   2.117   5.714   6.223
  180    HA   SER  27           HA       SER  27   0.361   7.396   7.807
  181   1HB   SER  27          2HB       SER  27   2.949   6.353   8.984
  182    HG   SER  27           HG       SER  27   0.505   5.303   9.003
  183    H    SER  28           H        SER  28   0.853   9.505   7.604
  184    HA   SER  28           HA       SER  28   3.495  10.422   6.926
  185   1HB   SER  28          2HB       SER  28   1.252  10.789   4.921
  186    HG   SER  28           HG       SER  28   3.221   8.938   5.123
  187    H    ASN  29           H        ASN  29   3.804  12.433   7.656
  188    HA   ASN  29           HA       ASN  29   3.494  14.465   8.590
  189   1HB   ASN  29          2HB       ASN  29   2.258  14.910   6.486
  190   1HD2  ASN  29          1HD2      ASN  29   2.637  16.999   6.454
  191   2HD2  ASN  29          2HD2      ASN  29   2.023  18.168   7.581
  192    H    PHE  30           H        PHE  30   0.156  13.197   8.798
  193    HA   PHE  30           HA       PHE  30   0.365  12.790  11.625
  194   1HB   PHE  30          2HB       PHE  30   0.100  15.312  11.367
  195    HD1  PHE  30           1HD      PHE  30   0.277  13.306  13.534
  196    HD2  PHE  30           2HD      PHE  30  -2.925  15.859  12.377
  197    HE1  PHE  30           1HE      PHE  30  -0.595  13.248  15.833
  198    HE2  PHE  30           2HE      PHE  30  -3.801  15.807  14.674
  199    HZ   PHE  30           HZ       PHE  30  -2.635  14.501  16.406
  200    H    ARG  31           H        ARG  31  -0.225  11.033   9.722
  201    HA   ARG  31           HA       ARG  31  -2.959  10.321  10.397
  202   1HB   ARG  31          2HB       ARG  31  -3.601   9.814   8.124
  203   1HG   ARG  31          2HG       ARG  31  -0.793  10.570   7.450
  204   1HD   ARG  31          2HD       ARG  31  -2.186  12.053   6.128
  205    HE   ARG  31           HE       ARG  31  -4.245  11.204   5.606
  206   1HH1  ARG  31          2HH1      ARG  31  -1.803   8.885   4.598
  207   2HH1  ARG  31          1HH1      ARG  31  -2.961   7.825   3.847
  208   1HH2  ARG  31          2HH2      ARG  31  -5.747   9.781   4.683
  209   2HH2  ARG  31          1HH2      ARG  31  -5.201   8.320   3.912
  210    H    ASN  32           H        ASN  32  -3.301   8.109  10.395
  211    HA   ASN  32           HA       ASN  32  -1.193   6.329   9.516
  212   1HB   ASN  32          2HB       ASN  32  -1.133   5.242  11.838
  213   1HD2  ASN  32          1HD2      ASN  32  -0.602   8.293  13.073
  214   2HD2  ASN  32          2HD2      ASN  32  -1.953   8.377  14.157
  215    H    ILE  33           H        ILE  33  -2.093   4.599   8.675
  216    HA   ILE  33           HA       ILE  33  -4.666   3.621   9.661
  217    HB   ILE  33           HB       ILE  33  -5.367   5.292   8.095
  218   1HG1  ILE  33          2HG1      ILE  33  -6.447   3.913   6.308
  219   1HG2  ILE  33          1HG2      ILE  33  -4.609   5.143   5.678
  220   2HG2  ILE  33          2HG2      ILE  33  -3.446   5.775   6.843
  221   3HG2  ILE  33          3HG2      ILE  33  -3.301   4.116   6.265
  222   1HD1  ILE  33          1HD1      ILE  33  -7.613   2.310   7.820
  223   2HD1  ILE  33          2HD1      ILE  33  -6.526   2.835   9.108
  224   3HD1  ILE  33          3HD1      ILE  33  -7.628   3.990   8.358
  225    H    ASP  34           H        ASP  34  -4.864   1.474   9.475
  226    HA   ASP  34           HA       ASP  34  -2.807   0.044   7.937
  227   1HB   ASP  34          2HB       ASP  34  -4.614  -1.009  10.129
  228    H    VAL  35           H        VAL  35  -3.388  -0.946   6.146
  229    HA   VAL  35           HA       VAL  35  -6.255  -1.423   5.657
  230    HB   VAL  35           HB       VAL  35  -4.090  -1.520   3.562
  231   1HG1  VAL  35          1HG1      VAL  35  -5.973  -1.037   2.043
  232   2HG1  VAL  35          2HG1      VAL  35  -6.189  -2.538   2.944
  233   3HG1  VAL  35          3HG1      VAL  35  -7.069  -1.087   3.424
  234   1HG2  VAL  35          1HG2      VAL  35  -5.305   0.853   4.826
  235   2HG2  VAL  35          2HG2      VAL  35  -3.746   0.667   4.023
  236   3HG2  VAL  35          3HG2      VAL  35  -5.214   0.867   3.066
  237    H    VAL  36           H        VAL  36  -6.845  -3.491   5.979
  238    HA   VAL  36           HA       VAL  36  -4.749  -5.537   5.803
  239    HB   VAL  36           HB       VAL  36  -5.666  -5.515   7.988
  240   1HG1  VAL  36          1HG1      VAL  36  -7.660  -4.392   8.002
  241   2HG1  VAL  36          2HG1      VAL  36  -8.278  -5.242   6.585
  242   3HG1  VAL  36          3HG1      VAL  36  -8.245  -6.049   8.154
  243   1HG2  VAL  36          1HG2      VAL  36  -6.558  -7.736   8.237
  244   2HG2  VAL  36          2HG2      VAL  36  -7.040  -7.775   6.541
  245   3HG2  VAL  36          3HG2      VAL  36  -5.329  -7.745   6.970
  246    H    PHE  37           H        PHE  37  -4.811  -7.037   4.293
  247    HA   PHE  37           HA       PHE  37  -7.268  -7.895   3.026
  248   1HB   PHE  37          2HB       PHE  37  -6.281  -7.286   0.728
  249    HD1  PHE  37           1HD      PHE  37  -3.919  -7.310   0.235
  250    HD2  PHE  37           2HD      PHE  37  -5.593  -4.303   2.740
  251    HE1  PHE  37           1HE      PHE  37  -1.847  -6.005   0.059
  252    HE2  PHE  37           2HE      PHE  37  -3.516  -3.006   2.572
  253    HZ   PHE  37           HZ       PHE  37  -1.642  -3.850   1.224
  254    H    GLU  38           H        GLU  38  -6.984  -9.732   1.690
  255    HA   GLU  38           HA       GLU  38  -4.410 -11.081   2.108
  256   1HB   GLU  38          2HB       GLU  38  -7.199 -12.190   1.831
  257   1HG   GLU  38          2HG       GLU  38  -5.030 -12.570   3.882
  258    H    LEU  39           H        LEU  39  -3.720 -12.497   0.348
  259    HA   LEU  39           HA       LEU  39  -3.610 -11.020  -2.040
  260   1HB   LEU  39          2HB       LEU  39  -2.789 -13.886  -1.529
  261    HG   LEU  39           HG       LEU  39  -1.244 -11.315  -1.287
  262   1HD1  LEU  39          1HD1      LEU  39  -2.392 -12.629   0.662
  263   2HD1  LEU  39          2HD1      LEU  39  -0.990 -13.685   0.502
  264   3HD1  LEU  39          3HD1      LEU  39  -0.766 -11.973   0.859
  265   1HD2  LEU  39          1HD2      LEU  39   0.631 -13.268  -0.995
  266   2HD2  LEU  39          2HD2      LEU  39  -0.334 -13.887  -2.337
  267   3HD2  LEU  39          3HD2      LEU  39   0.404 -12.288  -2.445
  268    H    GLY  40           H        GLY  40  -4.840 -11.011  -3.784
  269   1HA   GLY  40          1HA       GLY  40  -6.265 -11.756  -5.442
  270   2HA   GLY  40          2HA       GLY  40  -6.306 -13.332  -4.664
  271    H    VAL  41           H        VAL  41  -7.093 -10.259  -3.118
  272    HA   VAL  41           HA       VAL  41  -9.916 -11.099  -3.034
  273    HB   VAL  41           HB       VAL  41  -8.385  -9.702  -0.829
  274   1HG1  VAL  41          1HG1      VAL  41 -11.177 -10.777  -0.622
  275   2HG1  VAL  41          2HG1      VAL  41 -10.348  -9.634   0.434
  276   3HG1  VAL  41          3HG1      VAL  41 -10.859  -9.134  -1.177
  277   1HG2  VAL  41          1HG2      VAL  41  -8.201 -11.669   0.294
  278   2HG2  VAL  41          2HG2      VAL  41  -9.665 -12.345  -0.422
  279   3HG2  VAL  41          3HG2      VAL  41  -8.167 -12.301  -1.352
  280    H    ASP  42           H        ASP  42 -11.371  -9.615  -3.631
  281    HA   ASP  42           HA       ASP  42 -10.448  -6.863  -4.156
  282   1HB   ASP  42          2HB       ASP  42 -11.424  -8.038  -6.117
  283    H    PHE  43           H        PHE  43 -11.412  -5.195  -3.078
  284    HA   PHE  43           HA       PHE  43 -13.760  -5.684  -1.431
  285   1HB   PHE  43          2HB       PHE  43 -12.453  -4.938   0.627
  286    HD1  PHE  43           1HD      PHE  43 -10.845  -3.089   0.087
  287    HD2  PHE  43           2HD      PHE  43  -9.935  -7.194  -0.639
  288    HE1  PHE  43           1HE      PHE  43  -8.457  -2.529  -0.092
  289    HE2  PHE  43           2HE      PHE  43  -7.559  -6.631  -0.824
  290    HZ   PHE  43           HZ       PHE  43  -6.811  -4.301  -0.548
  291    H    ALA  44           H        ALA  44 -14.783  -3.846  -0.724
  292    HA   ALA  44           HA       ALA  44 -13.698  -1.293  -1.736
  293   1HB   ALA  44          1HB       ALA  44 -16.590  -2.046  -1.276
  294   2HB   ALA  44          2HB       ALA  44 -16.003  -0.498  -1.883
  295   3HB   ALA  44          3HB       ALA  44 -15.791  -1.961  -2.846
  296    H    TYR  45           H        TYR  45 -13.281   0.247  -0.222
  297    HA   TYR  45           HA       TYR  45 -14.604   0.249   2.347
  298   1HB   TYR  45          2HB       TYR  45 -12.898  -1.613   2.472
  299    HD1  TYR  45           1HD      TYR  45 -14.711  -0.664   4.386
  300    HD2  TYR  45           2HD      TYR  45 -10.524   0.049   4.201
  301    HE1  TYR  45           1HE      TYR  45 -14.683  -0.253   6.808
  302    HE2  TYR  45           2HE      TYR  45 -10.480   0.465   6.621
  303    HH   TYR  45           HH       TYR  45 -12.587   1.327   8.373
  304    H    SER  46           H        SER  46 -14.022   2.026   3.671
  305    HA   SER  46           HA       SER  46 -12.712   4.218   2.218
  306   1HB   SER  46          2HB       SER  46 -14.950   4.788   2.937
  307    HG   SER  46           HG       SER  46 -13.428   5.961   4.987
  308    H    LEU  47           H        LEU  47 -10.769   4.845   2.847
  309    HA   LEU  47           HA       LEU  47  -9.727   3.754   5.368
  310   1HB   LEU  47          2HB       LEU  47  -8.304   4.531   2.824
  311    HG   LEU  47           HG       LEU  47  -9.508   2.301   2.808
  312   1HD1  LEU  47          1HD1      LEU  47  -6.811   1.383   2.572
  313   2HD1  LEU  47          2HD1      LEU  47  -7.979   1.748   1.304
  314   3HD1  LEU  47          3HD1      LEU  47  -6.940   3.023   1.938
  315   1HD2  LEU  47          1HD2      LEU  47  -9.222   1.650   5.101
  316   2HD2  LEU  47          2HD2      LEU  47  -8.375   0.491   4.078
  317   3HD2  LEU  47          3HD2      LEU  47  -7.466   1.726   4.949
  318    H    ALA  48           H        ALA  48  -9.067   5.047   6.903
  319    HA   ALA  48           HA       ALA  48  -8.603   6.903   8.117
  320   1HB   ALA  48          1HB       ALA  48  -6.702   6.699   6.220
  321   2HB   ALA  48          2HB       ALA  48  -7.298   8.328   5.901
  322   3HB   ALA  48          3HB       ALA  48  -6.692   7.909   7.503
  323    H    ASP  49           H        ASP  49 -11.136   6.916   6.846
  324    HA   ASP  49           HA       ASP  49 -12.912   8.274   6.430
  325   1HB   ASP  49          2HB       ASP  49 -11.211  10.189   8.039
  326    H    GLY  50           H        GLY  50 -11.370   8.124   4.216
  327   1HA   GLY  50          1HA       GLY  50 -11.974  10.628   2.939
  328   2HA   GLY  50          2HA       GLY  50 -10.249  10.344   3.111
  329    H    THR  51           H        THR  51  -9.317   8.509   2.051
  330    HA   THR  51           HA       THR  51 -10.275   8.203  -0.580
  331    HB   THR  51           HB       THR  51  -8.498   6.565  -0.887
  332    HG1  THR  51           1HG      THR  51  -8.860   5.588   1.269
  333   1HG2  THR  51          1HG2      THR  51  -7.801   8.984   0.757
  334   2HG2  THR  51          2HG2      THR  51  -7.680   8.769  -0.990
  335   3HG2  THR  51          3HG2      THR  51  -6.563   7.924   0.083
  336    H    GLU  52           H        GLU  52 -11.702   6.807  -1.451
  337    HA   GLU  52           HA       GLU  52 -12.446   4.458   0.148
  338   1HB   GLU  52          2HB       GLU  52 -14.170   6.142  -1.677
  339   1HG   GLU  52          2HG       GLU  52 -14.479   5.426   1.229
  340    H    LEU  53           H        LEU  53 -11.048   3.072  -0.749
  341    HA   LEU  53           HA       LEU  53 -10.901   2.951  -3.664
  342   1HB   LEU  53          2HB       LEU  53  -9.069   2.148  -1.448
  343    HG   LEU  53           HG       LEU  53  -8.549   3.574  -4.064
  344   1HD1  LEU  53          1HD1      LEU  53  -7.738   5.097  -1.858
  345   2HD1  LEU  53          2HD1      LEU  53  -9.081   5.415  -2.958
  346   3HD1  LEU  53          3HD1      LEU  53  -9.353   4.500  -1.475
  347   1HD2  LEU  53          1HD2      LEU  53  -6.441   3.659  -2.083
  348   2HD2  LEU  53          2HD2      LEU  53  -6.784   2.009  -2.605
  349   3HD2  LEU  53          3HD2      LEU  53  -6.367   3.242  -3.795
  350    H    THR  54           H        THR  54 -11.842   1.426  -4.751
  351    HA   THR  54           HA       THR  54 -12.635  -1.085  -3.429
  352    HB   THR  54           HB       THR  54 -13.517  -0.107  -6.150
  353    HG1  THR  54           1HG      THR  54 -14.282   0.783  -3.647
  354   1HG2  THR  54          1HG2      THR  54 -13.842  -2.495  -5.613
  355   2HG2  THR  54          2HG2      THR  54 -15.365  -1.636  -5.844
  356   3HG2  THR  54          3HG2      THR  54 -14.811  -2.027  -4.216
  357    H    GLY  55           H        GLY  55 -10.918  -2.520  -3.690
  358   1HA   GLY  55          1HA       GLY  55  -9.997  -2.972  -6.414
  359   2HA   GLY  55          2HA       GLY  55  -8.829  -2.256  -5.322
  360    H    THR  56           H        THR  56  -8.281  -4.522  -6.603
  361    HA   THR  56           HA       THR  56  -8.374  -6.588  -4.510
  362    HB   THR  56           HB       THR  56  -9.626  -7.275  -6.529
  363    HG1  THR  56           1HG      THR  56  -8.904  -9.207  -6.121
  364   1HG2  THR  56          1HG2      THR  56  -8.581  -7.566  -8.660
  365   2HG2  THR  56          2HG2      THR  56  -7.001  -7.135  -8.007
  366   3HG2  THR  56          3HG2      THR  56  -8.264  -5.912  -8.136
  367    H    TRP  57           H        TRP  57  -6.430  -7.604  -4.016
  368    HA   TRP  57           HA       TRP  57  -4.032  -6.354  -5.203
  369   1HB   TRP  57          2HB       TRP  57  -4.643  -5.616  -2.887
  370    HD1  TRP  57           HD       TRP  57  -2.049  -7.786  -1.488
  371    HE1  TRP  57           1HE      TRP  57   0.248  -6.656  -1.642
  372    HE3  TRP  57           3HE      TRP  57  -3.199  -4.062  -4.782
  373    HZ2  TRP  57           2HZ      TRP  57   1.430  -4.475  -2.991
  374    HZ3  TRP  57           3HZ      TRP  57  -1.428  -2.496  -5.458
  375    HH2  TRP  57           HH       TRP  57   0.838  -2.699  -4.579
  376    H    THR  58           H        THR  58  -2.297  -7.658  -5.725
  377    HA   THR  58           HA       THR  58  -2.293 -10.426  -4.790
  378    HB   THR  58           HB       THR  58  -1.741 -11.277  -7.067
  379    HG1  THR  58           1HG      THR  58  -1.157  -9.177  -7.938
  380   1HG2  THR  58          1HG2      THR  58  -4.320 -10.496  -6.093
  381   2HG2  THR  58          2HG2      THR  58  -3.881 -11.890  -7.082
  382   3HG2  THR  58          3HG2      THR  58  -4.289 -10.357  -7.852
  383    H    MET  59           H        MET  59  -0.279 -11.092  -4.291
  384    HA   MET  59           HA       MET  59   1.978  -9.435  -5.211
  385   1HB   MET  59          2HB       MET  59   1.729  -9.581  -2.743
  386   1HG   MET  59          2HG       MET  59   4.137 -11.131  -3.671
  387   1HE   MET  59          1HE       MET  59   6.455 -10.686  -2.249
  388   2HE   MET  59          2HE       MET  59   6.114  -8.957  -2.336
  389   3HE   MET  59          3HE       MET  59   6.479  -9.707  -0.781
  390    H    GLU  60           H        GLU  60   3.020 -10.307  -6.839
  391    HA   GLU  60           HA       GLU  60   2.975 -13.226  -7.174
  392   1HB   GLU  60          2HB       GLU  60   3.712 -11.112  -9.208
  393   1HG   GLU  60          2HG       GLU  60   1.093 -12.573  -8.946
  394    H    GLY  61           H        GLY  61   4.675 -14.033  -6.127
  395   1HA   GLY  61          1HA       GLY  61   6.875 -14.411  -5.528
  396   2HA   GLY  61          2HA       GLY  61   7.372 -13.354  -6.846
  397    H    ASN  62           H        ASN  62   8.428 -11.630  -6.189
  398    HA   ASN  62           HA       ASN  62   7.616 -10.362  -3.657
  399   1HB   ASN  62          2HB       ASN  62   9.889  -9.321  -3.613
  400   1HD2  ASN  62          1HD2      ASN  62  11.268 -12.135  -4.679
  401   2HD2  ASN  62          2HD2      ASN  62  12.032 -11.538  -6.113
  402    H    LYS  63           H        LYS  63   6.243 -10.006  -6.052
  403    HA   LYS  63           HA       LYS  63   6.815  -7.190  -6.643
  404   1HB   LYS  63          2HB       LYS  63   6.077  -9.404  -8.507
  405   1HG   LYS  63          2HG       LYS  63   7.363  -7.974 -10.119
  406   1HD   LYS  63          2HD       LYS  63   9.587  -8.464  -9.127
  407   1HE   LYS  63          2HE       LYS  63   9.285 -10.888  -8.952
  408   1HZ   LYS  63          1HZ       LYS  63   9.000  -9.578 -11.143
  409   2HZ   LYS  63          2HZ       LYS  63   7.368 -10.029 -11.014
  410   3HZ   LYS  63          3HZ       LYS  63   8.569 -11.217 -11.102
  411    H    LEU  64           H        LEU  64   5.181  -5.838  -6.395
  412    HA   LEU  64           HA       LEU  64   2.628  -6.978  -5.493
  413   1HB   LEU  64          2HB       LEU  64   4.101  -4.454  -4.731
  414    HG   LEU  64           HG       LEU  64   4.768  -6.709  -3.683
  415   1HD1  LEU  64          1HD1      LEU  64   5.261  -4.420  -2.788
  416   2HD1  LEU  64          2HD1      LEU  64   3.794  -4.541  -1.817
  417   3HD1  LEU  64          3HD1      LEU  64   5.122  -5.672  -1.553
  418   1HD2  LEU  64          1HD2      LEU  64   1.936  -6.601  -3.066
  419   2HD2  LEU  64          2HD2      LEU  64   3.077  -7.939  -2.924
  420   3HD2  LEU  64          3HD2      LEU  64   2.921  -6.769  -1.614
  421    H    VAL  65           H        VAL  65   1.130  -6.804  -6.972
  422    HA   VAL  65           HA       VAL  65   0.812  -4.281  -8.435
  423    HB   VAL  65           HB       VAL  65   0.847  -7.020  -9.738
  424   1HG1  VAL  65          1HG1      VAL  65   0.762  -4.715 -11.507
  425   2HG1  VAL  65          2HG1      VAL  65  -0.212  -6.185 -11.517
  426   3HG1  VAL  65          3HG1      VAL  65  -0.665  -4.833 -10.479
  427   1HG2  VAL  65          1HG2      VAL  65   2.590  -5.110 -10.960
  428   2HG2  VAL  65          2HG2      VAL  65   2.957  -5.231  -9.238
  429   3HG2  VAL  65          3HG2      VAL  65   2.976  -6.677 -10.249
  430    H    GLY  66           H        GLY  66  -1.285  -3.685  -8.644
  431   1HA   GLY  66          1HA       GLY  66  -3.416  -5.609  -8.655
  432   2HA   GLY  66          2HA       GLY  66  -3.326  -4.699  -7.150
  433    H    LYS  67           H        LYS  67  -5.279  -3.658  -7.482
  434    HA   LYS  67           HA       LYS  67  -5.096  -1.237  -8.985
  435   1HB   LYS  67          2HB       LYS  67  -5.731  -2.749 -10.818
  436   1HG   LYS  67          2HG       LYS  67  -7.934  -0.937  -9.879
  437   1HD   LYS  67          2HD       LYS  67  -7.621  -2.250 -12.575
  438   1HE   LYS  67          2HE       LYS  67  -9.658  -0.321 -11.484
  439   1HZ   LYS  67          1HZ       LYS  67  -9.699  -1.111 -14.278
  440   2HZ   LYS  67          2HZ       LYS  67 -10.977  -0.733 -13.233
  441   3HZ   LYS  67          3HZ       LYS  67 -10.261  -2.269 -13.173
  442    H    PHE  68           H        PHE  68  -6.283   0.266  -7.957
  443    HA   PHE  68           HA       PHE  68  -8.561  -0.628  -6.346
  444   1HB   PHE  68          2HB       PHE  68  -6.402   1.284  -5.428
  445    HD1  PHE  68           1HD      PHE  68  -4.858  -0.724  -5.663
  446    HD2  PHE  68           2HD      PHE  68  -8.205  -0.646  -3.038
  447    HE1  PHE  68           1HE      PHE  68  -3.894  -2.586  -4.379
  448    HE2  PHE  68           2HE      PHE  68  -7.242  -2.505  -1.748
  449    HZ   PHE  68           HZ       PHE  68  -5.084  -3.479  -2.420
  450    H    LYS  69           H        LYS  69 -10.274   0.723  -6.328
  451    HA   LYS  69           HA       LYS  69 -10.183   2.896  -8.290
  452   1HB   LYS  69          2HB       LYS  69 -11.739   1.023  -8.666
  453   1HG   LYS  69          2HG       LYS  69 -13.559   3.236  -7.855
  454   1HD   LYS  69          2HD       LYS  69 -13.351   1.366 -10.210
  455   1HE   LYS  69          2HE       LYS  69 -14.172   3.617 -10.841
  456   1HZ   LYS  69          1HZ       LYS  69 -16.736   3.440  -9.720
  457   2HZ   LYS  69          2HZ       LYS  69 -15.598   4.684  -9.549
  458   3HZ   LYS  69          3HZ       LYS  69 -15.612   3.386  -8.455
  459    H    ARG  70           H        ARG  70  -9.973   4.907  -7.454
  460    HA   ARG  70           HA       ARG  70 -10.912   5.410  -4.723
  461   1HB   ARG  70          2HB       ARG  70  -8.545   6.028  -5.549
  462   1HG   ARG  70          2HG       ARG  70  -9.924   7.094  -3.531
  463   1HD   ARG  70          2HD       ARG  70  -9.247   9.471  -5.250
  464    HE   ARG  70           HE       ARG  70 -10.911   9.885  -2.956
  465   1HH1  ARG  70          2HH1      ARG  70  -7.557   9.688  -4.000
  466   2HH1  ARG  70          1HH1      ARG  70  -6.978  10.667  -2.682
  467   1HH2  ARG  70          2HH2      ARG  70 -10.149  11.143  -1.255
  468   2HH2  ARG  70          1HH2      ARG  70  -8.447  11.502  -1.120
  469    H    VAL  71           H        VAL  71 -13.095   5.182  -5.670
  470    HA   VAL  71           HA       VAL  71 -14.106   6.980  -7.586
  471    HB   VAL  71           HB       VAL  71 -15.217   4.856  -7.032
  472   1HG1  VAL  71          1HG1      VAL  71 -16.777   5.002  -4.949
  473   2HG1  VAL  71          2HG1      VAL  71 -15.091   4.518  -4.763
  474   3HG1  VAL  71          3HG1      VAL  71 -15.583   6.167  -4.378
  475   1HG2  VAL  71          1HG2      VAL  71 -17.593   5.891  -6.704
  476   2HG2  VAL  71          2HG2      VAL  71 -16.735   7.420  -6.895
  477   3HG2  VAL  71          3HG2      VAL  71 -16.679   6.211  -8.178
  478    H    ASP  72           H        ASP  72 -13.534   7.264  -4.222
  479    HA   ASP  72           HA       ASP  72 -15.222   9.224  -3.320
  480   1HB   ASP  72          2HB       ASP  72 -13.741   8.271  -1.762
  481    H    ASN  73           H        ASN  73 -12.428   9.610  -5.425
  482    HA   ASN  73           HA       ASN  73 -13.202  12.420  -5.781
  483   1HB   ASN  73          2HB       ASN  73 -11.201  12.413  -4.387
  484   1HD2  ASN  73          1HD2      ASN  73  -9.031  12.432  -6.837
  485   2HD2  ASN  73          2HD2      ASN  73  -9.176  14.081  -7.356
  486    H    GLY  74           H        GLY  74 -11.530   9.592  -7.172
  487   1HA   GLY  74          1HA       GLY  74 -12.140  10.733  -9.819
  488   2HA   GLY  74          2HA       GLY  74 -10.572  10.027  -9.461
  489    H    LYS  75           H        LYS  75 -10.285   7.980  -9.939
  490    HA   LYS  75           HA       LYS  75 -12.565   6.175 -10.116
  491   1HB   LYS  75          2HB       LYS  75 -12.677   7.098 -12.257
  492   1HG   LYS  75          2HG       LYS  75 -10.778   4.800 -12.658
  493   1HD   LYS  75          2HD       LYS  75 -11.672   4.597 -14.846
  494   1HE   LYS  75          2HE       LYS  75 -11.131   6.700 -15.927
  495   1HZ   LYS  75          1HZ       LYS  75  -8.980   6.502 -15.469
  496   2HZ   LYS  75          2HZ       LYS  75  -9.400   5.355 -14.294
  497   3HZ   LYS  75          3HZ       LYS  75  -9.184   6.984 -13.856
  498    H    GLU  76           H        GLU  76  -9.021   6.584 -10.355
  499    HA   GLU  76           HA       GLU  76  -8.739   3.810  -9.460
  500   1HB   GLU  76          2HB       GLU  76  -7.654   4.888 -12.058
  501   1HG   GLU  76          2HG       GLU  76  -9.182   2.340 -11.580
  502    H    LEU  77           H        LEU  77  -7.263   3.678  -7.997
  503    HA   LEU  77           HA       LEU  77  -4.848   5.296  -8.245
  504   1HB   LEU  77          2HB       LEU  77  -6.113   6.415  -6.539
  505    HG   LEU  77           HG       LEU  77  -4.043   4.645  -5.215
  506   1HD1  LEU  77          1HD1      LEU  77  -3.618   7.528  -5.765
  507   2HD1  LEU  77          2HD1      LEU  77  -2.464   6.194  -5.736
  508   3HD1  LEU  77          3HD1      LEU  77  -3.531   6.407  -7.124
  509   1HD2  LEU  77          1HD2      LEU  77  -4.337   7.085  -3.842
  510   2HD2  LEU  77          2HD2      LEU  77  -5.955   6.410  -4.043
  511   3HD2  LEU  77          3HD2      LEU  77  -4.691   5.457  -3.261
  512    H    ILE  78           H        ILE  78  -3.322   3.863  -8.617
  513    HA   ILE  78           HA       ILE  78  -3.575   1.188  -7.405
  514    HB   ILE  78           HB       ILE  78  -2.270   1.968 -10.021
  515   1HG1  ILE  78          2HG1      ILE  78  -4.878   0.506  -9.534
  516   1HG2  ILE  78          1HG2      ILE  78  -2.084  -0.386  -8.403
  517   2HG2  ILE  78          2HG2      ILE  78  -2.864  -0.777  -9.937
  518   3HG2  ILE  78          3HG2      ILE  78  -1.274  -0.012  -9.925
  519   1HD1  ILE  78          1HD1      ILE  78  -3.533   1.395 -12.067
  520   2HD1  ILE  78          2HD1      ILE  78  -3.990  -0.242 -11.599
  521   3HD1  ILE  78          3HD1      ILE  78  -5.236   0.950 -11.966
  522    H    ALA  79           H        ALA  79  -1.916   0.377  -6.268
  523    HA   ALA  79           HA       ALA  79   0.610   1.903  -6.216
  524   1HB   ALA  79          1HB       ALA  79   0.928   1.309  -4.016
  525   2HB   ALA  79          2HB       ALA  79  -0.831   1.436  -4.064
  526   3HB   ALA  79          3HB       ALA  79  -0.059  -0.147  -4.149
  527    H    VAL  80           H        VAL  80   2.356   0.915  -7.064
  528    HA   VAL  80           HA       VAL  80   2.359  -2.012  -7.351
  529    HB   VAL  80           HB       VAL  80   2.877  -0.069  -9.619
  530   1HG1  VAL  80          1HG1      VAL  80   3.820  -2.779  -9.175
  531   2HG1  VAL  80          2HG1      VAL  80   2.905  -2.618 -10.673
  532   3HG1  VAL  80          3HG1      VAL  80   4.310  -1.593 -10.383
  533   1HG2  VAL  80          1HG2      VAL  80   0.963  -2.313  -9.881
  534   2HG2  VAL  80          2HG2      VAL  80   0.471  -0.955  -8.870
  535   3HG2  VAL  80          3HG2      VAL  80   0.906  -0.684 -10.557
  536    H    ARG  81           H        ARG  81   4.239  -2.803  -6.603
  537    HA   ARG  81           HA       ARG  81   6.709  -1.738  -7.423
  538   1HB   ARG  81          2HB       ARG  81   5.941  -0.168  -5.499
  539   1HG   ARG  81          2HG       ARG  81   8.279  -0.049  -4.607
  540   1HD   ARG  81          2HD       ARG  81   7.648  -0.048  -7.529
  541    HE   ARG  81           HE       ARG  81  10.303  -0.074  -6.520
  542   1HH1  ARG  81          2HH1      ARG  81   8.212   1.488  -8.856
  543   2HH1  ARG  81          1HH1      ARG  81   9.520   2.031  -9.861
  544   1HH2  ARG  81          2HH2      ARG  81  12.037   0.588  -7.892
  545   2HH2  ARG  81          1HH2      ARG  81  11.681   1.517  -9.325
  546    H    GLU  82           H        GLU  82   8.537  -2.977  -6.753
  547    HA   GLU  82           HA       GLU  82   7.801  -5.631  -5.726
  548   1HB   GLU  82          2HB       GLU  82   9.932  -6.388  -6.766
  549   1HG   GLU  82          2HG       GLU  82   9.983  -3.646  -8.010
  550    H    ILE  83           H        ILE  83   9.360  -6.657  -4.257
  551    HA   ILE  83           HA       ILE  83  10.597  -4.639  -2.488
  552    HB   ILE  83           HB       ILE  83  10.233  -7.550  -1.771
  553   1HG1  ILE  83          2HG1      ILE  83   7.994  -6.916  -2.303
  554   1HG2  ILE  83          1HG2      ILE  83  11.143  -5.162  -0.434
  555   2HG2  ILE  83          2HG2      ILE  83   9.811  -5.933   0.442
  556   3HG2  ILE  83          3HG2      ILE  83  11.273  -6.852   0.057
  557   1HD1  ILE  83          1HD1      ILE  83   7.981  -4.583  -2.495
  558   2HD1  ILE  83          2HD1      ILE  83   6.943  -4.951  -1.117
  559   3HD1  ILE  83          3HD1      ILE  83   8.586  -4.369  -0.852
  560    H    SER  84           H        SER  84  12.764  -4.428  -2.693
  561    HA   SER  84           HA       SER  84  14.312  -6.704  -3.736
  562   1HB   SER  84          2HB       SER  84  15.128  -3.794  -3.526
  563    HG   SER  84           HG       SER  84  13.828  -5.277  -5.514
  564    H    GLY  85           H        GLY  85  15.499  -7.847  -2.334
  565   1HA   GLY  85          1HA       GLY  85  16.510  -8.480  -0.359
  566   2HA   GLY  85          2HA       GLY  85  16.998  -6.797  -0.165
  567    H    ASN  86           H        ASN  86  16.247  -5.890   1.613
  568    HA   ASN  86           HA       ASN  86  13.398  -6.193   2.058
  569   1HB   ASN  86          2HB       ASN  86  15.424  -6.310   4.300
  570   1HD2  ASN  86          1HD2      ASN  86  12.357  -7.560   4.862
  571   2HD2  ASN  86          2HD2      ASN  86  12.698  -9.231   4.566
  572    H    GLU  87           H        GLU  87  13.023  -4.352   1.089
  573    HA   GLU  87           HA       GLU  87  13.147  -1.980   2.595
  574   1HB   GLU  87          2HB       GLU  87  14.438  -0.557   1.124
  575   1HG   GLU  87          2HG       GLU  87  15.025  -3.011  -0.512
  576    H    LEU  88           H        LEU  88  11.684  -0.383   1.612
  577    HA   LEU  88           HA       LEU  88  10.218  -1.558  -0.641
  578   1HB   LEU  88          2HB       LEU  88   8.962  -2.019   1.379
  579    HG   LEU  88           HG       LEU  88   7.752   0.130  -0.346
  580   1HD1  LEU  88          1HD1      LEU  88   8.228  -2.590  -0.743
  581   2HD1  LEU  88          2HD1      LEU  88   6.493  -2.421  -0.478
  582   3HD1  LEU  88          3HD1      LEU  88   7.286  -1.489  -1.749
  583   1HD2  LEU  88          1HD2      LEU  88   6.779  -0.912   2.170
  584   2HD2  LEU  88          2HD2      LEU  88   6.162   0.410   1.178
  585   3HD2  LEU  88          3HD2      LEU  88   5.668  -1.248   0.837
  586    H    ILE  89           H        ILE  89   9.830  -0.317  -2.241
  587    HA   ILE  89           HA       ILE  89   9.788   2.603  -1.889
  588    HB   ILE  89           HB       ILE  89  10.104   1.072  -4.489
  589   1HG1  ILE  89          2HG1      ILE  89  12.194   2.620  -2.937
  590   1HG2  ILE  89          1HG2      ILE  89  10.298   3.112  -5.584
  591   2HG2  ILE  89          2HG2      ILE  89   9.008   3.405  -4.418
  592   3HG2  ILE  89          3HG2      ILE  89  10.639   3.991  -4.094
  593   1HD1  ILE  89          1HD1      ILE  89  12.127   1.647  -5.673
  594   2HD1  ILE  89          2HD1      ILE  89  13.226   2.786  -4.894
  595   3HD1  ILE  89          3HD1      ILE  89  13.505   1.050  -4.748
  596    H    GLN  90           H        GLN  90   7.850   3.622  -2.649
  597    HA   GLN  90           HA       GLN  90   5.713   1.715  -3.342
  598   1HB   GLN  90          2HB       GLN  90   5.656   2.394  -0.947
  599   1HG   GLN  90          2HG       GLN  90   3.340   3.051  -0.798
  600   1HE2  GLN  90          1HE2      GLN  90   2.672   1.090  -0.326
  601   2HE2  GLN  90          2HE2      GLN  90   2.518  -0.222  -1.449
  602    H    THR  91           H        THR  91   4.643   2.222  -5.118
  603    HA   THR  91           HA       THR  91   4.812   4.992  -6.106
  604    HB   THR  91           HB       THR  91   3.989   2.855  -7.977
  605    HG1  THR  91           1HG      THR  91   5.691   1.671  -7.492
  606   1HG2  THR  91          1HG2      THR  91   4.792   5.498  -8.138
  607   2HG2  THR  91          2HG2      THR  91   4.620   4.376  -9.488
  608   3HG2  THR  91          3HG2      THR  91   6.192   4.600  -8.720
  609    H    TYR  92           H        TYR  92   2.993   6.095  -6.162
  610    HA   TYR  92           HA       TYR  92   0.429   4.657  -6.100
  611   1HB   TYR  92          2HB       TYR  92   0.993   7.569  -5.479
  612    HD1  TYR  92           1HD      TYR  92   2.892   6.465  -3.976
  613    HD2  TYR  92           2HD      TYR  92  -1.292   6.081  -3.300
  614    HE1  TYR  92           1HE      TYR  92   3.322   5.993  -1.602
  615    HE2  TYR  92           2HE      TYR  92  -0.873   5.608  -0.926
  616    HH   TYR  92           HH       TYR  92   1.734   4.601   0.332
  617    H    THR  93           H        THR  93  -0.254   4.352  -8.136
  618    HA   THR  93           HA       THR  93   0.102   6.533 -10.080
  619    HB   THR  93           HB       THR  93  -0.831   3.699 -10.599
  620    HG1  THR  93           1HG      THR  93   1.374   3.846  -9.855
  621   1HG2  THR  93          1HG2      THR  93  -0.843   4.196 -12.833
  622   2HG2  THR  93          2HG2      THR  93   0.383   5.453 -12.672
  623   3HG2  THR  93          3HG2      THR  93  -1.281   5.779 -12.189
  624    H    TYR  94           H        TYR  94  -1.523   7.934  -9.955
  625    HA   TYR  94           HA       TYR  94  -4.251   6.904  -9.540
  626   1HB   TYR  94          2HB       TYR  94  -3.364   8.400  -7.776
  627    HD1  TYR  94           1HD      TYR  94  -6.097   7.434  -8.828
  628    HD2  TYR  94           2HD      TYR  94  -4.511  11.305  -8.016
  629    HE1  TYR  94           1HE      TYR  94  -8.362   8.269  -8.359
  630    HE2  TYR  94           2HE      TYR  94  -6.774  12.144  -7.569
  631    HH   TYR  94           HH       TYR  94  -9.359  11.045  -8.499
  632    H    GLU  95           H        GLU  95  -5.486   6.909 -11.238
  633    HA   GLU  95           HA       GLU  95  -6.497   7.402 -13.190
  634   1HB   GLU  95          2HB       GLU  95  -5.336  10.156 -12.770
  635   1HG   GLU  95          2HG       GLU  95  -6.810   9.698 -10.966
  636    H    GLY  96           H        GLY  96  -3.370   9.143 -13.334
  637   1HA   GLY  96          1HA       GLY  96  -2.321   7.321 -15.247
  638   2HA   GLY  96          2HA       GLY  96  -2.867   8.792 -16.039
  639    H    VAL  97           H        VAL  97  -1.520   8.675 -12.802
  640    HA   VAL  97           HA       VAL  97   1.070   9.594 -13.772
  641    HB   VAL  97           HB       VAL  97   1.142  11.372 -11.969
  642   1HG1  VAL  97          1HG1      VAL  97  -0.388  12.960 -13.380
  643   2HG1  VAL  97          2HG1      VAL  97   1.080  12.280 -14.082
  644   3HG1  VAL  97          3HG1      VAL  97  -0.490  11.568 -14.461
  645   1HG2  VAL  97          1HG2      VAL  97  -1.021  10.422 -10.914
  646   2HG2  VAL  97          2HG2      VAL  97  -0.773  12.167 -10.935
  647   3HG2  VAL  97          3HG2      VAL  97  -1.847  11.415 -12.115
  648    H    GLU  98           H        GLU  98   2.724   8.804 -12.589
  649    HA   GLU  98           HA       GLU  98   1.975   7.281 -10.186
  650   1HB   GLU  98          2HB       GLU  98   3.978   5.903 -10.619
  651   1HG   GLU  98          2HG       GLU  98   4.169   7.266 -13.288
  652    H    ALA  99           H        ALA  99   2.822   7.767  -8.293
  653    HA   ALA  99           HA       ALA  99   5.183   9.532  -8.213
  654   1HB   ALA  99          1HB       ALA  99   3.685   9.804  -5.809
  655   2HB   ALA  99          2HB       ALA  99   4.045  11.031  -7.023
  656   3HB   ALA  99          3HB       ALA  99   2.589  10.046  -7.171
  657    H    LYS 100           H        LYS 100   6.866   8.555  -7.282
  658    HA   LYS 100           HA       LYS 100   6.293   6.287  -5.502
  659   1HB   LYS 100          2HB       LYS 100   8.708   5.600  -6.180
  660   1HG   LYS 100          2HG       LYS 100   7.943   7.170  -8.629
  661   1HD   LYS 100          2HD       LYS 100  10.542   5.786  -8.045
  662   1HE   LYS 100          2HE       LYS 100  10.392   7.493  -9.858
  663   1HZ   LYS 100          1HZ       LYS 100   8.520   5.514 -11.048
  664   2HZ   LYS 100          2HZ       LYS 100   9.238   6.793 -11.901
  665   3HZ   LYS 100          3HZ       LYS 100   8.167   7.119 -10.632
  666    H    ARG 101           H        ARG 101   7.461   5.950  -3.680
  667    HA   ARG 101           HA       ARG 101   9.298   8.047  -2.771
  668   1HB   ARG 101          2HB       ARG 101   6.902   8.533  -2.081
  669   1HG   ARG 101          2HG       ARG 101   8.618   7.952   0.315
  670   1HD   ARG 101          2HD       ARG 101   6.602  10.120  -0.260
  671    HE   ARG 101           HE       ARG 101   8.464   9.900   1.845
  672   1HH1  ARG 101          2HH1      ARG 101   5.082  10.596   1.245
  673   2HH1  ARG 101          1HH1      ARG 101   4.881  11.554   2.680
  674   1HH2  ARG 101          2HH2      ARG 101   8.212  11.181   3.739
  675   2HH2  ARG 101          1HH2      ARG 101   6.659  11.879   4.103
  676    H    ILE 102           H        ILE 102  10.897   7.257  -1.436
  677    HA   ILE 102           HA       ILE 102  11.024   4.336  -1.397
  678    HB   ILE 102           HB       ILE 102  13.215   6.407  -1.139
  679   1HG1  ILE 102          2HG1      ILE 102  13.912   5.204  -3.349
  680   1HG2  ILE 102          1HG2      ILE 102  13.231   3.705  -0.311
  681   2HG2  ILE 102          2HG2      ILE 102  14.226   3.823  -1.761
  682   3HG2  ILE 102          3HG2      ILE 102  14.576   4.842  -0.367
  683   1HD1  ILE 102          1HD1      ILE 102  11.504   6.708  -4.020
  684   2HD1  ILE 102          2HD1      ILE 102  12.616   7.556  -2.948
  685   3HD1  ILE 102          3HD1      ILE 102  13.178   6.960  -4.508
  686    H    PHE 103           H        PHE 103  11.238   3.124   0.370
  687    HA   PHE 103           HA       PHE 103  11.804   4.387   2.957
  688   1HB   PHE 103          2HB       PHE 103   9.652   2.292   2.665
  689    HD1  PHE 103           1HD      PHE 103   9.539   5.823   3.798
  690    HD2  PHE 103           2HD      PHE 103   8.068   2.892   1.086
  691    HE1  PHE 103           1HE      PHE 103   7.823   7.407   3.020
  692    HE2  PHE 103           2HE      PHE 103   6.352   4.468   0.305
  693    HZ   PHE 103           HZ       PHE 103   6.226   6.727   1.271
  694    H    LYS 104           H        LYS 104  12.445   2.728   4.598
  695    HA   LYS 104           HA       LYS 104  13.462   0.273   3.348
  696   1HB   LYS 104          2HB       LYS 104  15.602   0.586   4.056
  697   1HG   LYS 104          2HG       LYS 104  15.020   0.662   6.484
  698   1HD   LYS 104          2HD       LYS 104  14.969   3.645   6.028
  699   1HE   LYS 104          2HE       LYS 104  14.620   2.046   8.561
  700   1HZ   LYS 104          1HZ       LYS 104  14.779   4.959   8.032
  701   2HZ   LYS 104          2HZ       LYS 104  14.967   4.278   9.571
  702   3HZ   LYS 104          3HZ       LYS 104  13.497   4.100   8.743
  703    H    LYS 105           H        LYS 105  13.813  -1.503   4.883
  704    HA   LYS 105           HA       LYS 105  11.671  -1.681   6.756
  705   1HB   LYS 105          2HB       LYS 105  12.528  -3.640   5.482
  706   1HG   LYS 105          2HG       LYS 105  12.699  -3.943   8.475
  707   1HD   LYS 105          2HD       LYS 105  12.119  -5.974   6.326
  708   1HE   LYS 105          2HE       LYS 105  10.764  -6.311   8.335
  709   1HZ   LYS 105          1HZ       LYS 105  13.297  -5.834   9.676
  710   2HZ   LYS 105          2HZ       LYS 105  12.362  -7.104  10.298
  711   3HZ   LYS 105          3HZ       LYS 105  11.712  -5.540  10.208
  712    H    GLU 106           H        GLU 106  11.720  -1.693   8.963
  713    HA   GLU 106           HA       GLU 106  13.794  -0.192  10.243
  714   1HB   GLU 106          2HB       GLU 106  11.388  -0.082  10.868
  715   1HG   GLU 106          2HG       GLU 106  13.116  -1.046  13.132